#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqa n GLY 2 N 0.00 0.27 7.00 3.03 0.00 -1.24 -3.90 105.19 110.36 1wqa n GLY 2 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1wqa n GLY 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wqa n LYS 3 N 0.00 0.00 0.00 1.61 3.00 -1.26 -3.72 118.16 117.79 1wqa n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wqa n LYS 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1wqa n LYS 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1wqa n LEU 4 N 0.00 0.00 -4.85 3.14 -0.00 -1.26 -4.89 117.00 109.14 1wqa n LEU 4 Ca 0.00 0.81 -0.32 0.00 -0.00 0.00 0.00 56.01 56.50 1wqa n LEU 4 Cb 0.00 -0.31 -0.05 0.00 -0.00 0.00 0.00 43.42 43.06 1wqa n LEU 4 CO 0.00 -0.31 0.46 -0.36 -0.00 0.00 0.00 177.39 177.18 1wqa s PHE 5 N -2.24 3.39 0.00 1.96 0.40 -1.24 -3.92 117.98 116.33 1wqa s PHE 5 Ca 0.00 1.22 0.00 0.00 -0.60 0.00 0.00 56.93 57.55 1wqa s PHE 5 Cb 0.00 -2.55 0.00 0.00 0.51 0.00 0.00 43.02 40.98 1wqa s PHE 5 CO 0.00 0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.34 1wqa n GLY 6 N -0.67 1.48 0.33 4.36 0.00 0.66 -3.59 105.19 107.76 1wqa n GLY 6 Ca 0.04 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 1wqa n GLY 6 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wqa h THR 7 N 0.00 1.26 -1.88 2.61 1.35 -1.97 -3.38 112.91 110.90 1wqa h THR 7 Ca 0.00 -0.88 -0.41 0.00 -0.55 0.00 0.00 66.41 64.57 1wqa h THR 7 Cb 0.00 0.42 -0.30 0.00 -1.73 0.00 0.00 68.15 66.54 1wqa h THR 7 CO 0.00 0.35 -0.76 0.12 -0.25 0.00 0.00 175.52 174.98 1wqa s PHE 8 N -5.43 -0.05 0.00 4.73 5.99 -1.26 -4.78 117.98 117.17 1wqa s PHE 8 Ca -0.12 -1.39 0.00 0.00 0.00 0.00 0.00 56.93 55.42 1wqa s PHE 8 Cb 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 43.02 42.74 1wqa s PHE 8 CO 0.84 -0.99 0.00 0.41 -0.00 0.00 0.00 175.22 175.48 1wqa n GLY 9 N 3.33 -2.67 3.10 13.12 0.00 -1.26 -4.83 105.19 115.98 1wqa n GLY 9 Ca 0.21 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 1wqa n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wqa s VAL 10 N -0.43 0.86 0.16 1.61 0.11 -0.21 -0.25 120.40 122.26 1wqa s VAL 10 Ca 0.00 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.01 1wqa s VAL 10 Cb 0.00 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1wqa s VAL 10 CO 0.00 -0.14 0.17 0.00 -3.33 0.00 0.00 175.10 171.79 1wqa s ARG 11 N -1.27 1.09 0.00 1.54 3.03 -1.26 -0.90 118.95 121.17 1wqa s ARG 11 Ca -0.02 -1.38 0.00 0.00 2.03 0.00 0.00 55.73 56.36 1wqa s ARG 11 Cb -0.08 0.30 0.00 0.00 -1.03 0.00 0.00 34.95 34.14 1wqa s ARG 11 CO 0.01 -0.36 0.00 0.41 -1.13 0.00 0.00 175.30 174.23 1wqa n GLY 12 N -0.18 -1.44 3.73 3.88 0.00 -0.61 -4.97 105.19 105.60 1wqa n GLY 12 Ca -0.04 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1wqa n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wqa s ILE 13 N -2.33 4.30 0.31 -0.61 1.01 -1.26 -1.38 121.20 121.24 1wqa s ILE 13 Ca 0.00 1.90 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1wqa s ILE 13 Cb 0.00 -4.22 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 1wqa s ILE 13 CO 0.00 0.29 1.51 0.00 0.00 0.00 0.00 174.94 176.73 1wqa s ALA 14 N 0.03 3.65 0.00 9.38 0.00 0.37 -1.76 121.76 133.43 1wqa s ALA 14 Ca 0.48 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1wqa s ALA 14 Cb -0.25 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1wqa s ALA 14 CO 0.31 -0.93 0.00 0.09 0.00 0.00 0.00 175.76 175.23 1wqa n ASN 15 N 1.54 -4.44 0.00 0.00 5.03 -0.06 -4.82 115.26 112.50 1wqa n ASN 15 Ca 0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1wqa n ASN 15 Cb 0.39 -2.02 0.00 0.00 -1.02 0.00 0.00 39.78 37.13 1wqa n ASN 15 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wqa n GLU 16 N -0.98 0.00 0.00 3.52 1.02 -0.74 -4.87 120.64 118.60 1wqa n GLU 16 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1wqa n GLU 16 Cb 0.25 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.56 1wqa n GLU 16 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1wqa h LYS 17 N 0.00 0.38 -4.57 3.49 3.64 -1.79 -3.39 116.57 114.32 1wqa h LYS 17 Ca 0.00 -0.41 -0.74 0.00 -1.27 0.00 0.00 60.65 58.23 1wqa h LYS 17 Cb 0.00 0.12 -0.20 0.00 -0.41 0.00 0.00 32.23 31.74 1wqa h LYS 17 CO 0.00 1.09 0.93 0.42 -2.27 0.00 0.00 179.45 179.62 1wqa s ILE 18 N -3.18 5.14 0.51 2.00 -1.09 -0.72 -4.81 121.20 119.05 1wqa s ILE 18 Ca -0.13 -2.41 0.09 0.00 -2.23 0.00 0.00 60.65 55.97 1wqa s ILE 18 Cb 0.03 -4.78 0.05 0.00 -1.58 0.00 0.00 42.46 36.18 1wqa s ILE 18 CO 0.81 -1.46 0.70 0.42 -1.23 0.00 0.00 174.94 174.18 1wqa s THR 19 N 1.37 2.49 0.22 2.92 -4.23 -1.26 -0.88 115.64 116.27 1wqa s THR 19 Ca 0.35 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 1wqa s THR 19 Cb -0.05 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.35 1wqa s THR 19 CO -0.05 0.00 1.67 -0.65 -0.54 0.00 0.00 174.62 175.05 1wqa h PRO 20 N 0.38 0.82 -0.86 3.99 0.11 -1.93 -1.82 132.00 132.68 1wqa h PRO 20 Ca -0.34 -0.28 -0.02 0.00 0.11 0.00 0.00 66.00 65.47 1wqa h PRO 20 Cb 1.29 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1wqa h PRO 20 CO 0.43 0.90 0.48 0.93 -0.21 0.00 0.00 178.00 180.52 1wqa h GLU 21 N 0.73 1.19 -0.05 1.05 3.07 -1.97 0.47 114.58 119.08 1wqa h GLU 21 Ca 0.12 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1wqa h GLU 21 Cb 0.62 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1wqa h GLU 21 CO 0.04 0.87 0.03 0.35 -1.40 0.00 0.00 179.01 178.90 1wqa h PHE 22 N 1.19 0.06 -0.53 4.33 3.57 -1.77 -0.36 116.94 123.42 1wqa h PHE 22 Ca 0.30 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1wqa h PHE 22 Cb 0.02 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1wqa h PHE 22 CO 0.01 0.08 0.28 0.00 -2.23 0.00 0.00 178.31 176.44 1wqa h ALA 23 N 0.97 0.69 -0.68 2.41 0.00 -1.01 -1.39 119.26 120.26 1wqa h ALA 23 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1wqa h ALA 23 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1wqa h ALA 23 CO -0.00 0.22 0.39 1.98 0.00 0.00 0.00 179.25 181.85 1wqa h MET 24 N 0.72 0.93 -0.41 0.00 1.85 -0.69 -1.33 114.93 115.99 1wqa h MET 24 Ca 0.19 -0.09 -0.10 0.00 -0.61 0.00 0.00 59.70 59.08 1wqa h MET 24 Cb 0.08 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 1wqa h MET 24 CO -0.03 0.67 -0.16 0.87 -0.40 0.00 0.00 176.91 177.86 1wqa h LYS 25 N 0.92 0.77 -0.63 0.39 1.57 -0.83 -0.69 116.57 118.07 1wqa h LYS 25 Ca 0.24 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1wqa h LYS 25 Cb -0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1wqa h LYS 25 CO -0.04 0.88 0.35 0.82 -0.57 0.00 0.00 179.45 180.89 1wqa h ILE 26 N 0.68 1.20 -0.60 1.86 1.08 -0.95 -0.30 117.51 120.48 1wqa h ILE 26 Ca 0.11 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 64.05 1wqa h ILE 26 Cb 0.66 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 1wqa h ILE 26 CO 0.05 0.21 0.25 1.23 -0.69 0.00 0.00 178.15 179.20 1wqa h GLY 27 N 0.86 0.95 1.50 5.37 0.00 -0.81 -0.84 103.07 110.10 1wqa h GLY 27 Ca 0.22 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1wqa h GLY 27 CO -0.04 0.48 -0.20 -0.33 0.00 0.00 0.00 176.54 176.45 1wqa h MET 28 N 0.83 0.59 -0.19 4.80 2.86 -0.78 -0.75 114.93 122.28 1wqa h MET 28 Ca 0.20 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1wqa h MET 28 Cb 0.18 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1wqa h MET 28 CO -0.02 0.75 -0.27 0.00 1.06 0.00 0.00 176.91 178.43 1wqa h ALA 29 N 1.26 0.29 -0.26 6.32 0.00 -0.89 -1.46 119.26 124.51 1wqa h ALA 29 Ca 0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1wqa h ALA 29 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wqa h ALA 29 CO 0.05 0.28 0.09 0.35 0.00 0.00 0.00 179.25 180.02 1wqa h PHE 30 N 0.18 0.41 -0.86 0.00 3.57 -1.06 -0.74 116.94 118.45 1wqa h PHE 30 Ca 0.02 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1wqa h PHE 30 Cb 0.84 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1wqa h PHE 30 CO 0.09 0.44 0.48 0.78 -2.23 0.00 0.00 178.31 177.87 1wqa h GLY 31 N 0.26 1.26 0.89 2.40 0.00 -1.16 -0.61 103.07 106.12 1wqa h GLY 31 Ca 0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1wqa h GLY 31 CO -0.00 0.53 0.04 -0.84 0.00 0.00 0.00 176.54 176.27 1wqa h THR 32 N 1.19 1.24 -0.29 4.70 2.02 -0.98 -1.82 112.91 118.97 1wqa h THR 32 Ca 0.30 -0.83 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1wqa h THR 32 Cb 0.00 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1wqa h THR 32 CO -0.05 0.27 0.03 0.25 0.37 0.00 0.00 175.52 176.39 1wqa h LEU 33 N 0.32 -0.05 -1.12 2.58 5.85 -0.62 -0.35 115.31 121.92 1wqa h LEU 33 Ca 0.09 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1wqa h LEU 33 Cb 0.36 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1wqa h LEU 33 CO 0.01 0.01 0.60 -0.07 -0.34 0.00 0.00 178.44 178.65 1wqa h LEU 34 N 0.12 0.90 -0.12 2.25 3.38 -0.91 -1.29 115.31 119.65 1wqa h LEU 34 Ca 0.14 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1wqa h LEU 34 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wqa h LEU 34 CO -0.21 0.55 -0.38 0.11 0.09 0.00 0.00 178.44 178.60 1wqa h LYS 35 N 1.01 0.47 0.00 1.13 1.57 -0.70 -3.16 116.57 116.89 1wqa h LYS 35 Ca 0.42 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1wqa h LYS 35 Cb 0.30 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wqa h LYS 35 CO -0.18 0.96 -0.01 0.00 -0.57 0.00 0.00 179.45 179.66 1wqa h ARG 36 N 0.07 0.00 0.00 3.15 3.08 -0.53 0.61 114.38 120.75 1wqa h ARG 36 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wqa h ARG 36 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1wqa h ARG 36 CO 0.08 0.01 0.00 0.39 -1.07 0.00 0.00 179.97 179.38 1wqa n GLU 37 N -3.14 0.71 0.00 0.04 1.02 -0.54 -4.86 120.64 113.87 1wqa n GLU 37 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1wqa n GLU 37 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1wqa n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wqa n GLY 38 N 0.92 1.52 3.43 0.62 0.00 0.18 -5.11 105.19 106.75 1wqa n GLY 38 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1wqa n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wqa s ARG 39 N -0.05 3.59 0.12 1.61 0.52 -1.03 -4.99 118.95 118.73 1wqa s ARG 39 Ca 0.00 -0.53 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 1wqa s ARG 39 Cb 0.00 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1wqa s ARG 39 CO 0.00 -0.02 1.62 -0.22 0.02 0.00 0.00 175.30 176.69 1wqa h LYS 40 N 7.61 0.58 -2.42 3.54 3.11 -1.90 -3.38 116.57 123.72 1wqa h LYS 40 Ca -0.37 -0.14 -0.54 0.00 -2.81 0.00 0.00 60.65 56.79 1wqa h LYS 40 Cb 1.18 -0.08 -0.37 0.00 -1.00 0.00 0.00 32.23 31.96 1wqa h LYS 40 CO 0.61 0.63 -0.84 0.21 -2.81 0.00 0.00 179.45 177.25 1wqa s LYS 41 N -5.30 0.62 0.67 1.90 2.20 -1.26 -4.98 119.74 113.58 1wqa s LYS 41 Ca -0.13 -1.35 -0.17 0.00 -0.36 0.00 0.00 55.97 53.95 1wqa s LYS 41 Cb 0.09 -1.19 -0.00 0.00 -1.51 0.00 0.00 37.83 35.22 1wqa s LYS 41 CO 0.76 -1.24 1.21 -2.30 -0.36 0.00 0.00 175.35 173.43 1wqa n PRO 42 N 3.89 0.94 -4.24 4.03 -0.02 -1.26 -4.71 135.00 133.62 1wqa n PRO 42 Ca 0.15 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 1wqa n PRO 42 Cb 0.40 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 1wqa n PRO 42 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wqa s LEU 43 N -4.07 2.46 -0.08 2.45 2.96 -1.26 -0.53 118.68 120.61 1wqa s LEU 43 Ca 0.80 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1wqa s LEU 43 Cb -0.37 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1wqa s LEU 43 CO 0.43 0.03 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.61 1wqa s VAL 44 N 1.13 1.67 -0.05 1.68 1.01 -0.26 0.32 120.40 125.91 1wqa s VAL 44 Ca 0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 1wqa s VAL 44 Cb -0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1wqa s VAL 44 CO -0.05 0.47 0.50 -0.69 0.00 0.00 0.00 175.10 175.34 1wqa s VAL 45 N 0.35 5.05 -0.06 2.92 1.01 -0.66 -1.02 120.40 127.99 1wqa s VAL 45 Ca -0.14 1.04 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1wqa s VAL 45 Cb -0.16 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1wqa s VAL 45 CO 0.06 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1wqa s VAL 46 N -0.04 0.98 0.28 2.92 1.01 0.50 -0.56 120.40 125.49 1wqa s VAL 46 Ca 0.27 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1wqa s VAL 46 Cb -0.17 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1wqa s VAL 46 CO 0.13 0.32 0.21 -0.83 0.00 0.00 0.00 175.10 174.93 1wqa s GLY 47 N 0.76 1.96 0.23 4.51 0.00 -0.69 -0.14 107.32 113.95 1wqa s GLY 47 Ca -0.13 -1.89 -0.17 0.00 0.00 0.00 0.00 44.72 42.52 1wqa s GLY 47 CO 0.02 -1.46 0.57 1.09 0.00 0.00 0.00 173.10 173.32 1wqa s ARG 48 N -3.76 1.52 0.00 2.90 1.70 -0.45 -1.01 118.95 119.85 1wqa s ARG 48 Ca 0.39 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 1wqa s ARG 48 Cb 0.04 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 1wqa s ARG 48 CO 0.20 -0.66 0.00 -0.40 -1.08 0.00 0.00 175.30 173.37 1wqa n ASP 49 N -0.38 0.00 -0.42 -2.89 5.68 -0.90 -1.38 116.55 116.26 1wqa n ASP 49 Ca -0.07 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.33 1wqa n ASP 49 Cb 0.62 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.04 1wqa n ASP 49 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wqa n THR 50 N 0.00 0.14 -1.69 2.12 -2.24 -1.26 -4.81 114.28 106.55 1wqa n THR 50 Ca 0.00 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1wqa n THR 50 Cb 0.00 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1wqa n THR 50 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wqa n ARG 51 N 0.06 1.79 0.27 -0.78 1.74 -1.26 -2.61 116.66 115.86 1wqa n ARG 51 Ca 0.16 0.64 0.11 0.00 -0.77 0.00 0.00 57.85 57.99 1wqa n ARG 51 Cb 0.28 -2.33 0.74 0.00 -1.02 0.00 0.00 32.46 30.13 1wqa n ARG 51 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1wqa h VAL 52 N 1.92 0.76 -0.01 1.55 2.07 -1.84 -1.26 116.25 119.43 1wqa h VAL 52 Ca -0.47 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1wqa h VAL 52 Cb 1.30 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1wqa h VAL 52 CO 0.59 0.05 -0.16 -1.54 0.02 0.00 0.00 177.57 176.53 1wqa n SER 53 N -4.07 1.41 -0.13 0.57 3.41 -1.26 -4.45 113.62 109.10 1wqa n SER 53 Ca -0.03 -1.24 -0.07 0.00 -0.26 0.00 0.00 58.87 57.27 1wqa n SER 53 Cb 0.14 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1wqa n SER 53 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wqa h GLY 54 N 4.88 0.58 1.00 5.00 0.00 -1.58 -2.44 103.07 110.51 1wqa h GLY 54 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1wqa h GLY 54 CO 0.00 0.17 0.25 -2.09 0.00 0.00 0.00 176.54 174.87 1wqa h GLU 55 N 0.51 0.49 -0.69 4.80 4.81 -1.78 0.12 114.58 122.85 1wqa h GLU 55 Ca 0.16 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1wqa h GLU 55 Cb -0.00 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1wqa h GLU 55 CO -0.07 0.33 0.33 1.98 -0.73 0.00 0.00 179.01 180.85 1wqa h MET 56 N 0.51 0.99 -0.06 1.92 4.05 -1.83 -1.51 114.93 118.99 1wqa h MET 56 Ca 0.14 -0.15 -0.16 0.00 -0.28 0.00 0.00 59.70 59.25 1wqa h MET 56 Cb -0.05 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 1wqa h MET 56 CO -0.03 0.78 -0.65 -0.07 0.23 0.00 0.00 176.91 177.17 1wqa h LEU 57 N 0.95 0.29 -0.55 3.39 3.38 -1.23 -2.68 115.31 118.87 1wqa h LEU 57 Ca 0.24 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1wqa h LEU 57 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wqa h LEU 57 CO -0.03 0.86 0.06 0.50 0.09 0.00 0.00 178.44 179.92 1wqa h LYS 58 N 0.18 0.92 -0.58 1.13 3.64 -0.47 -0.19 116.57 121.21 1wqa h LYS 58 Ca -0.01 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 1wqa h LYS 58 Cb 1.18 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1wqa h LYS 58 CO 0.10 0.91 0.23 0.93 -2.27 0.00 0.00 179.45 179.35 1wqa h GLU 59 N 0.81 0.87 -0.13 1.90 4.39 -1.20 -0.22 114.58 121.00 1wqa h GLU 59 Ca 0.16 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wqa h GLU 59 Cb 0.45 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1wqa h GLU 59 CO 0.02 0.75 0.07 0.00 -1.16 0.00 0.00 179.01 178.68 1wqa h ALA 60 N 1.08 0.16 -0.11 3.43 0.00 -1.25 0.10 119.26 122.66 1wqa h ALA 60 Ca 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wqa h ALA 60 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wqa h ALA 60 CO -0.01 -0.30 0.07 1.25 0.00 0.00 0.00 179.25 180.26 1wqa h LEU 61 N 0.10 0.14 -0.67 0.00 5.85 -0.86 -1.40 115.31 118.47 1wqa h LEU 61 Ca 0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1wqa h LEU 61 Cb 0.08 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1wqa h LEU 61 CO -0.01 0.13 0.31 0.40 -0.34 0.00 0.00 178.44 178.93 1wqa h ILE 62 N 0.13 1.23 -0.60 4.05 2.04 -0.95 -1.39 117.51 122.02 1wqa h ILE 62 Ca 0.04 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.30 1wqa h ILE 62 Cb 0.02 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1wqa h ILE 62 CO -0.01 0.27 0.31 -1.28 0.00 0.00 0.00 178.15 177.44 1wqa h SER 63 N 0.93 0.43 -0.13 1.72 0.87 -0.57 -0.02 113.55 116.80 1wqa h SER 63 Ca 0.23 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1wqa h SER 63 Cb 0.14 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1wqa h SER 63 CO -0.03 0.28 0.02 1.23 -0.53 0.00 0.00 176.83 177.80 1wqa h GLY 64 N 0.57 0.13 0.84 5.77 0.00 -0.62 -1.45 103.07 108.31 1wqa h GLY 64 Ca 0.27 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1wqa h GLY 64 CO -0.19 -0.01 0.13 1.41 0.00 0.00 0.00 176.54 177.88 1wqa h LEU 65 N 0.07 0.18 -1.00 3.11 3.38 -0.69 -2.42 115.31 117.93 1wqa h LEU 65 Ca 0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1wqa h LEU 65 Cb 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1wqa h LEU 65 CO -0.08 0.14 0.33 -0.07 0.09 0.00 0.00 178.44 178.84 1wqa h LEU 66 N 0.28 0.94 -2.17 1.67 3.38 -0.87 -1.63 115.31 116.91 1wqa h LEU 66 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1wqa h LEU 66 Cb 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1wqa h LEU 66 CO -0.09 0.81 -0.06 0.77 0.09 0.00 0.00 178.44 179.96 1wqa h SER 67 N 1.03 0.00 -0.57 -0.43 4.64 -0.79 -0.60 113.55 116.83 1wqa h SER 67 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1wqa h SER 67 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1wqa h SER 67 CO -0.03 0.06 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 1wqa n VAL 68 N -3.53 2.40 -0.66 0.95 0.24 -0.90 -0.51 118.33 116.32 1wqa n VAL 68 Ca -0.02 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 1wqa n VAL 68 Cb 0.18 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1wqa n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wqa n GLY 69 N 0.69 0.62 3.84 7.63 0.00 -0.52 -4.47 105.19 112.99 1wqa n GLY 69 Ca 0.26 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1wqa n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqa s ASP 71 N -0.75 6.92 -0.00 0.00 -0.00 0.31 -3.92 116.67 119.24 1wqa s ASP 71 Ca 0.15 1.65 0.03 0.00 -0.00 0.00 0.00 52.55 54.39 1wqa s ASP 71 Cb -0.13 -2.53 -0.01 0.00 -0.00 0.00 0.00 42.92 40.26 1wqa s ASP 71 CO 0.05 -0.35 -0.10 -0.69 -0.00 0.00 0.00 175.17 174.08 1wqa s VAL 72 N -2.17 0.80 -0.27 -1.27 1.01 0.18 -1.10 120.40 117.59 1wqa s VAL 72 Ca 0.61 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1wqa s VAL 72 Cb -0.09 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.64 1wqa s VAL 72 CO 0.14 0.19 -0.02 -0.63 0.00 0.00 0.00 175.10 174.77 1wqa s ILE 73 N -0.31 3.09 -0.44 2.22 1.01 -0.19 -1.49 121.20 125.10 1wqa s ILE 73 Ca 0.03 -1.05 -0.21 0.00 0.00 0.00 0.00 60.65 59.42 1wqa s ILE 73 Cb -0.04 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.83 1wqa s ILE 73 CO -0.00 0.10 0.64 -0.62 0.00 0.00 0.00 174.94 175.06 1wqa s ASP 74 N 1.34 6.32 -0.02 3.58 2.15 0.27 -0.37 116.67 129.94 1wqa s ASP 74 Ca -0.01 -0.37 0.13 0.00 0.43 0.00 0.00 52.55 52.73 1wqa s ASP 74 Cb -0.17 -2.32 0.39 0.00 -0.30 0.00 0.00 42.92 40.52 1wqa s ASP 74 CO -0.02 -0.78 1.31 1.33 -0.17 0.00 0.00 175.17 176.84 1wqa n VAL 75 N 5.84 0.70 -4.28 1.11 0.24 0.80 -1.74 118.33 120.99 1wqa n VAL 75 Ca -0.02 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1wqa n VAL 75 Cb 0.48 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1wqa n VAL 75 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wqa n GLY 76 N 1.09 2.50 3.63 7.63 0.00 -1.26 -4.60 105.19 114.19 1wqa n GLY 76 Ca 0.15 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1wqa n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wqa s ILE 77 N 0.00 5.08 0.10 -0.61 1.01 -1.26 -1.34 121.20 124.18 1wqa s ILE 77 Ca 0.00 0.88 -0.25 0.00 0.00 0.00 0.00 60.65 61.28 1wqa s ILE 77 Cb 0.00 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.72 1wqa s ILE 77 CO 0.00 0.11 0.64 0.00 0.00 0.00 0.00 174.94 175.69 1wqa s ALA 78 N 2.16 -1.65 0.58 9.38 0.00 -0.48 -4.94 121.76 126.81 1wqa s ALA 78 Ca 0.21 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 1wqa s ALA 78 Cb -0.16 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1wqa s ALA 78 CO 0.09 -0.67 1.19 -2.30 0.00 0.00 0.00 175.76 174.07 1wqa n PRO 79 N -0.07 1.25 -0.19 0.00 -0.02 -1.26 -4.45 135.00 130.26 1wqa n PRO 79 Ca -0.17 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1wqa n PRO 79 Cb 0.63 -2.39 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1wqa n PRO 79 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1wqa h THR 80 N 0.89 0.59 0.00 3.45 2.02 -1.42 0.72 112.91 119.15 1wqa h THR 80 Ca -0.50 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1wqa h THR 80 Cb 1.34 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1wqa h THR 80 CO 0.54 0.03 -0.05 -0.65 0.37 0.00 0.00 175.52 175.76 1wqa h PRO 81 N 0.18 0.00 -0.03 6.66 0.11 -1.82 -0.68 132.00 136.42 1wqa h PRO 81 Ca 0.30 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.20 1wqa h PRO 81 Cb 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1wqa h PRO 81 CO -0.44 0.05 -0.85 0.00 -0.21 0.00 0.00 178.00 176.55 1wqa h ALA 82 N 1.95 0.46 -0.18 -0.75 0.00 -1.22 0.80 119.26 120.31 1wqa h ALA 82 Ca -0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 54.09 1wqa h ALA 82 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wqa h ALA 82 CO 0.01 0.80 -0.52 0.28 0.00 0.00 0.00 179.25 179.81 1wqa h VAL 83 N 0.25 1.32 -0.34 0.00 2.07 -0.50 0.19 116.25 119.25 1wqa h VAL 83 Ca -0.06 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.60 1wqa h VAL 83 Cb 1.47 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1wqa h VAL 83 CO 0.15 0.54 -0.17 1.56 0.02 0.00 0.00 177.57 179.67 1wqa h GLN 84 N 0.39 0.71 -0.77 1.57 4.20 -1.05 -1.27 115.11 118.89 1wqa h GLN 84 Ca 0.01 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.42 1wqa h GLN 84 Cb 1.05 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1wqa h GLN 84 CO 0.10 0.92 0.51 2.35 -0.67 0.00 0.00 178.83 182.03 1wqa h TRP 85 N 0.48 0.97 -0.33 2.96 7.01 -0.57 -2.65 115.95 123.82 1wqa h TRP 85 Ca 0.07 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.00 1wqa h TRP 85 Cb 0.71 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1wqa h TRP 85 CO 0.06 0.60 -0.21 0.00 -2.79 0.00 0.00 178.44 176.10 1wqa h ALA 86 N 1.29 1.02 -0.45 2.65 0.00 -0.45 0.18 119.26 123.50 1wqa h ALA 86 Ca 0.29 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wqa h ALA 86 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1wqa h ALA 86 CO -0.07 0.59 0.23 1.15 0.00 0.00 0.00 179.25 181.14 1wqa h THR 87 N 0.56 0.97 -0.18 0.00 2.02 -0.88 0.22 112.91 115.63 1wqa h THR 87 Ca 0.08 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 1wqa h THR 87 Cb 0.66 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1wqa h THR 87 CO 0.05 0.08 -0.19 0.50 0.37 0.00 0.00 175.52 176.33 1wqa h LYS 88 N 0.45 0.45 -0.63 6.66 3.64 -1.32 -1.80 116.57 124.03 1wqa h LYS 88 Ca 0.19 -0.24 0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1wqa h LYS 88 Cb 0.10 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.84 1wqa h LYS 88 CO -0.14 0.81 0.16 1.25 -2.27 0.00 0.00 179.45 179.26 1wqa h HIS 89 N 0.10 0.26 -0.23 1.91 2.76 -0.53 -1.03 115.15 118.39 1wqa h HIS 89 Ca 0.03 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1wqa h HIS 89 Cb 0.73 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1wqa h HIS 89 CO 0.08 -0.01 0.00 1.19 -1.30 0.00 0.00 177.93 177.89 1wqa n PHE 90 N -5.11 0.30 -3.73 5.26 3.01 0.03 -4.90 117.46 112.32 1wqa n PHE 90 Ca 0.10 -0.15 -0.25 0.00 1.01 0.00 0.00 57.45 58.15 1wqa n PHE 90 Cb 0.34 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.86 1wqa n PHE 90 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wqa n ASN 91 N 0.23 -4.41 -4.86 4.37 3.02 -0.39 -4.96 115.26 108.26 1wqa n ASN 91 Ca 0.11 -0.69 -0.30 0.00 -0.03 0.00 0.00 54.58 53.67 1wqa n ASN 91 Cb 0.24 -4.41 0.07 0.00 -0.61 0.00 0.00 39.78 35.08 1wqa n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wqa s ALA 92 N -3.38 2.62 -0.76 5.41 0.00 -0.68 -4.97 121.76 120.00 1wqa s ALA 92 Ca 0.46 -0.41 0.24 0.00 0.00 0.00 0.00 51.96 52.25 1wqa s ALA 92 Cb -0.22 -3.02 0.33 0.00 0.00 0.00 0.00 23.12 20.20 1wqa s ALA 92 CO 0.79 -1.48 1.28 -0.25 0.00 0.00 0.00 175.76 176.09 1wqa n ASP 93 N -3.23 0.61 -3.68 0.00 8.00 0.15 -4.58 116.55 113.82 1wqa n ASP 93 Ca 0.07 -0.09 0.02 0.00 0.71 0.00 0.00 54.79 55.50 1wqa n ASP 93 Cb 0.58 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 1wqa n ASP 93 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1wqa s GLY 94 N -3.43 -0.31 0.13 0.44 0.00 -1.14 -3.59 107.32 99.42 1wqa s GLY 94 Ca 0.07 0.46 -0.08 0.00 0.00 0.00 0.00 44.72 45.17 1wqa s GLY 94 CO 0.73 2.20 0.21 -0.32 0.00 0.00 0.00 173.10 175.93 1wqa s GLY 95 N -3.30 0.39 -0.07 0.20 0.00 -1.03 -1.65 107.32 101.87 1wqa s GLY 95 Ca 0.20 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 1wqa s GLY 95 CO -0.03 -0.90 0.18 0.00 0.00 0.00 0.00 173.10 172.35 1wqa s ALA 96 N -3.94 -0.42 -0.14 3.20 0.00 0.27 -0.00 121.76 120.74 1wqa s ALA 96 Ca 0.13 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1wqa s ALA 96 Cb 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1wqa s ALA 96 CO -0.04 -0.11 -0.18 0.08 0.00 0.00 0.00 175.76 175.51 1wqa s VAL 97 N 0.39 1.80 -0.55 0.00 1.01 0.34 -1.70 120.40 121.70 1wqa s VAL 97 Ca -0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1wqa s VAL 97 Cb -0.04 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.78 1wqa s VAL 97 CO -0.02 0.50 0.73 -0.63 0.00 0.00 0.00 175.10 175.68 1wqa s ILE 98 N 1.07 4.72 -0.04 2.22 -1.09 -0.18 -0.91 121.20 126.99 1wqa s ILE 98 Ca -0.03 -0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 1wqa s ILE 98 Cb -0.14 -4.42 0.10 0.00 -1.58 0.00 0.00 42.46 36.42 1wqa s ILE 98 CO -0.05 -0.98 0.87 0.28 -1.23 0.00 0.00 174.94 173.82 1wqa s THR 99 N 3.02 0.00 -0.09 2.92 -1.32 0.12 -2.12 115.64 118.17 1wqa s THR 99 Ca 0.18 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.79 1wqa s THR 99 Cb -0.19 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.00 1wqa s THR 99 CO 0.12 0.00 1.09 0.00 -2.21 0.00 0.00 174.62 173.62 1wqa n ALA 100 N 0.11 2.15 -0.85 11.08 0.00 -1.26 -2.14 120.51 129.60 1wqa n ALA 100 Ca -0.11 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.25 1wqa n ALA 100 Cb 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1wqa n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wqa n SER 101 N -1.00 0.00 -0.70 0.00 2.88 -1.26 -2.02 113.62 111.52 1wqa n SER 101 Ca 0.11 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.73 1wqa n SER 101 Cb 0.62 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.18 1wqa n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wqa n HIS 102 N 0.00 0.16 -1.40 0.66 1.44 -1.26 -2.75 115.22 112.07 1wqa n HIS 102 Ca 0.00 -0.12 -0.30 0.00 -2.01 0.00 0.00 57.72 55.29 1wqa n HIS 102 Cb 0.00 -0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.21 1wqa n HIS 102 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1wqa s ASN 103 N -1.25 4.30 0.94 4.39 -0.87 -0.85 -3.77 114.94 117.83 1wqa s ASN 103 Ca 0.22 1.49 -0.11 0.00 -1.57 0.00 0.00 52.86 52.89 1wqa s ASN 103 Cb 0.14 -2.23 0.09 0.00 -0.02 0.00 0.00 41.25 39.24 1wqa s ASN 103 CO 0.21 -2.12 0.75 -2.65 -2.57 0.00 0.00 177.10 170.72 1wqa n PRO 104 N -3.55 -0.41 -0.30 -0.60 -0.02 -1.26 -4.52 135.00 124.35 1wqa n PRO 104 Ca 0.07 -0.06 0.26 0.00 -2.02 0.00 0.00 63.50 61.75 1wqa n PRO 104 Cb 0.55 -2.10 0.60 0.00 -0.02 0.00 0.00 33.50 32.53 1wqa n PRO 104 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wqa h PRO 105 N -1.74 0.24 0.00 0.52 0.11 -1.88 -1.95 132.00 127.29 1wqa h PRO 105 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wqa h PRO 105 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wqa h PRO 105 CO 0.38 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47 1wqa n GLU 106 N -4.46 0.20 -3.25 1.05 0.00 -1.26 -4.70 120.64 108.22 1wqa n GLU 106 Ca 0.24 0.36 -0.29 0.00 0.00 0.00 0.00 57.16 57.47 1wqa n GLU 106 Cb 0.97 -1.84 -0.04 0.00 0.00 0.00 0.00 31.44 30.53 1wqa n GLU 106 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1wqa s TYR 107 N -3.25 3.47 0.34 -1.84 2.02 -0.74 -0.48 117.35 116.87 1wqa s TYR 107 Ca 0.06 0.77 -0.14 0.00 -0.37 0.00 0.00 57.07 57.38 1wqa s TYR 107 Cb 0.10 -2.20 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1wqa s TYR 107 CO 0.43 0.13 0.69 1.21 -1.57 0.00 0.00 175.55 176.44 1wqa s ASN 108 N -3.03 0.11 0.01 2.29 3.04 -0.48 -4.66 114.94 112.22 1wqa s ASN 108 Ca 0.46 -1.08 -0.09 0.00 0.04 0.00 0.00 52.86 52.18 1wqa s ASN 108 Cb -0.11 0.77 0.03 0.00 -1.54 0.00 0.00 41.25 40.40 1wqa s ASN 108 CO 0.29 -1.50 0.43 0.61 -3.04 0.00 0.00 177.10 173.88 1wqa n GLY 109 N -0.51 0.65 2.88 1.21 0.00 -0.91 -1.57 105.19 106.93 1wqa n GLY 109 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1wqa n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wqa s ILE 110 N -2.19 0.19 -0.11 -0.61 1.01 -0.08 -0.71 121.20 118.71 1wqa s ILE 110 Ca 0.10 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1wqa s ILE 110 Cb -0.00 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.26 1wqa s ILE 110 CO 0.00 0.09 -0.22 -0.54 0.00 0.00 0.00 174.94 174.27 1wqa s LYS 111 N 0.31 2.93 0.03 2.79 1.02 -0.08 -1.04 119.74 125.69 1wqa s LYS 111 Ca -0.03 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.13 1wqa s LYS 111 Cb -0.05 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1wqa s LYS 111 CO -0.01 0.10 0.17 -0.51 -0.92 0.00 0.00 175.35 174.18 1wqa s LEU 112 N 0.54 4.22 0.10 3.17 1.43 -1.26 -0.51 118.68 126.37 1wqa s LEU 112 Ca -0.14 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1wqa s LEU 112 Cb -0.17 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1wqa s LEU 112 CO 0.05 0.21 -0.20 -0.76 0.23 0.00 0.00 176.35 175.88 1wqa s LEU 113 N -2.21 2.29 0.92 1.79 1.43 1.00 -0.90 118.68 123.00 1wqa s LEU 113 Ca 0.30 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1wqa s LEU 113 Cb -0.13 -0.85 0.14 0.00 0.03 0.00 0.00 46.19 45.39 1wqa s LEU 113 CO 0.22 0.05 1.11 -1.61 0.23 0.00 0.00 176.35 176.36 1wqa s GLU 114 N -1.86 1.04 0.48 1.70 0.41 0.91 -2.46 118.70 118.92 1wqa s GLU 114 Ca 0.06 0.46 0.18 0.00 -0.41 0.00 0.00 54.97 55.25 1wqa s GLU 114 Cb -0.10 -1.81 1.19 0.00 -1.78 0.00 0.00 34.13 31.63 1wqa s GLU 114 CO 0.04 -2.30 2.02 -1.35 -0.49 0.00 0.00 175.26 173.18 1wqa h PRO 115 N -1.58 0.20 -0.23 0.39 0.11 -1.81 0.59 132.00 129.66 1wqa h PRO 115 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wqa h PRO 115 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wqa h PRO 115 CO 0.59 0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.78 1wqa n ASN 116 N -4.45 1.51 0.00 -2.05 0.23 -1.26 -3.80 115.26 105.44 1wqa n ASN 116 Ca 0.07 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 1wqa n ASN 116 Cb 0.38 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1wqa n ASN 116 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wqa n GLY 117 N 1.02 2.11 3.84 4.83 0.00 0.20 -4.43 105.19 112.75 1wqa n GLY 117 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1wqa n GLY 117 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wqa s MET 118 N -0.78 3.38 0.29 1.61 0.23 -1.26 -4.60 119.30 118.17 1wqa s MET 118 Ca 0.00 0.92 -0.26 0.00 -1.03 0.00 0.00 55.69 55.32 1wqa s MET 118 Cb 0.00 -2.05 -0.15 0.00 -1.53 0.00 0.00 34.83 31.10 1wqa s MET 118 CO 0.00 -0.74 0.70 0.41 -2.03 0.00 0.00 175.02 173.35 1wqa n GLY 119 N -2.04 -1.16 3.71 3.16 0.00 -1.26 -0.06 105.19 107.55 1wqa n GLY 119 Ca 0.07 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 1wqa n GLY 119 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wqa n LEU 120 N 1.55 3.79 -4.77 0.99 7.94 -0.08 -4.42 117.00 122.01 1wqa n LEU 120 Ca 0.13 1.18 -0.39 0.00 -1.11 0.00 0.00 56.01 55.81 1wqa n LEU 120 Cb 0.31 -1.51 -0.00 0.00 0.53 0.00 0.00 43.42 42.75 1wqa n LEU 120 CO 0.57 -0.24 0.96 -0.54 -1.11 0.00 0.00 177.39 177.03 1wqa s LYS 121 N -1.13 3.94 0.28 1.96 1.02 -1.26 -4.81 119.74 119.75 1wqa s LYS 121 Ca 0.61 2.15 0.02 0.00 0.02 0.00 0.00 55.97 58.77 1wqa s LYS 121 Cb -0.56 -2.74 0.60 0.00 -0.52 0.00 0.00 37.83 34.62 1wqa s LYS 121 CO 0.55 -0.51 1.80 0.87 -0.92 0.00 0.00 175.35 177.14 1wqa h LYS 122 N 2.63 0.80 -0.53 1.68 1.79 -1.98 0.19 116.57 121.16 1wqa h LYS 122 Ca -0.50 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 57.87 1wqa h LYS 122 Cb 1.25 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 1wqa h LYS 122 CO 0.62 0.53 0.11 0.93 -1.08 0.00 0.00 179.45 180.57 1wqa h GLU 123 N 0.83 0.82 0.04 3.15 3.07 -2.00 -0.69 114.58 119.79 1wqa h GLU 123 Ca 0.51 -0.17 -0.25 0.00 -0.50 0.00 0.00 59.36 58.95 1wqa h GLU 123 Cb 0.66 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1wqa h GLU 123 CO -0.32 0.75 -1.05 0.00 -1.40 0.00 0.00 179.01 176.99 1wqa h ARG 124 N 0.79 0.46 -0.17 2.33 3.08 -1.64 -3.08 114.38 116.15 1wqa h ARG 124 Ca 0.17 -0.55 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1wqa h ARG 124 Cb 0.32 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1wqa h ARG 124 CO 0.00 1.19 0.03 1.49 -1.07 0.00 0.00 179.97 181.62 1wqa h GLU 125 N 0.24 0.24 -0.71 0.04 4.81 -0.65 -1.54 114.58 117.01 1wqa h GLU 125 Ca -0.11 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1wqa h GLU 125 Cb 1.70 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.01 1wqa h GLU 125 CO 0.19 0.23 0.18 0.00 -0.73 0.00 0.00 179.01 178.88 1wqa h ALA 126 N 1.80 0.97 -0.33 2.92 0.00 -1.04 -1.38 119.26 122.20 1wqa h ALA 126 Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1wqa h ALA 126 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wqa h ALA 126 CO -0.00 0.66 -0.20 0.82 0.00 0.00 0.00 179.25 180.53 1wqa h ILE 127 N 1.07 1.29 -0.52 0.00 2.04 -1.36 -1.97 117.51 118.07 1wqa h ILE 127 Ca 0.22 -1.33 0.06 0.00 1.00 0.00 0.00 64.86 64.81 1wqa h ILE 127 Cb 0.36 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1wqa h ILE 127 CO 0.00 0.43 0.22 0.58 0.00 0.00 0.00 178.15 179.39 1wqa h VAL 128 N 0.49 0.89 -0.50 1.67 2.07 -0.93 -0.07 116.25 119.85 1wqa h VAL 128 Ca 0.07 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1wqa h VAL 128 Cb 0.75 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1wqa h VAL 128 CO 0.06 0.08 0.31 -0.33 0.02 0.00 0.00 177.57 177.70 1wqa h GLU 129 N 0.43 0.60 -0.34 1.57 5.08 -1.15 0.44 114.58 121.22 1wqa h GLU 129 Ca 0.24 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1wqa h GLU 129 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1wqa h GLU 129 CO -0.21 0.40 0.21 1.49 -1.00 0.00 0.00 179.01 179.91 1wqa h GLU 130 N 0.62 0.43 -0.50 2.33 4.81 -0.70 -0.60 114.58 120.96 1wqa h GLU 130 Ca 0.20 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1wqa h GLU 130 Cb -0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1wqa h GLU 130 CO -0.08 0.28 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.39 1wqa h LEU 131 N 0.44 0.84 -0.32 1.64 3.38 -0.66 -1.55 115.31 119.08 1wqa h LEU 131 Ca 0.13 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1wqa h LEU 131 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1wqa h LEU 131 CO -0.04 0.92 0.21 0.15 0.09 0.00 0.00 178.44 179.77 1wqa h PHE 132 N 0.79 0.39 -0.18 1.13 3.04 -0.50 0.27 116.94 121.88 1wqa h PHE 132 Ca 0.15 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.02 1wqa h PHE 132 Cb 0.52 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.89 1wqa h PHE 132 CO 0.03 0.24 -0.23 0.74 -2.02 0.00 0.00 178.31 177.07 1wqa h PHE 133 N 0.42 0.58 0.00 0.41 0.04 -0.95 -3.12 116.94 114.32 1wqa h PHE 133 Ca 0.12 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1wqa h PHE 133 Cb -0.04 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1wqa h PHE 133 CO -0.06 0.87 0.00 0.87 -0.60 0.00 0.00 178.31 179.39 1wqa h LYS 134 N 0.12 0.00 -5.91 1.51 1.57 -1.26 -3.46 116.57 109.14 1wqa h LYS 134 Ca 0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.41 1wqa h LYS 134 Cb 0.79 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.21 1wqa h LYS 134 CO 0.05 0.00 -0.74 0.39 -0.57 0.00 0.00 179.45 178.58 1wqa n GLU 135 N -2.64 -6.70 -3.10 3.15 1.02 0.89 -4.91 120.64 108.35 1wqa n GLU 135 Ca 0.03 0.76 -0.45 0.00 -0.02 0.00 0.00 57.16 57.48 1wqa n GLU 135 Cb 0.36 -5.70 -0.02 0.00 -0.02 0.00 0.00 31.44 26.06 1wqa n GLU 135 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wqa s ASP 136 N -3.78 6.86 -0.03 1.62 2.15 -0.85 -5.01 116.67 117.63 1wqa s ASP 136 Ca 0.34 -2.65 0.03 0.00 0.43 0.00 0.00 52.55 50.71 1wqa s ASP 136 Cb -0.16 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 1wqa s ASP 136 CO 0.76 -0.75 -0.12 -0.36 -0.17 0.00 0.00 175.17 174.54 1wqa s PHE 137 N 1.17 2.77 -1.06 -5.34 0.08 -1.26 -4.84 117.98 109.50 1wqa s PHE 137 Ca 0.30 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 57.11 1wqa s PHE 137 Cb -0.07 -1.62 0.20 0.00 -0.57 0.00 0.00 43.02 40.96 1wqa s PHE 137 CO -0.07 0.26 1.18 -0.51 -0.10 0.00 0.00 175.22 175.98 1wqa s ASP 138 N -0.98 6.99 0.30 1.36 1.01 -1.26 -5.01 116.67 119.07 1wqa s ASP 138 Ca 0.13 -2.88 -0.29 0.00 0.71 0.00 0.00 52.55 50.21 1wqa s ASP 138 Cb -0.11 -2.32 -0.11 0.00 1.01 0.00 0.00 42.92 41.39 1wqa s ASP 138 CO 0.03 -0.67 1.47 -0.13 0.21 0.00 0.00 175.17 176.07 1wqa s ARG 139 N 0.88 4.21 0.59 8.23 0.52 -1.26 -4.58 118.95 127.55 1wqa s ARG 139 Ca 0.33 2.41 -0.16 0.00 -0.52 0.00 0.00 55.73 57.79 1wqa s ARG 139 Cb -0.06 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1wqa s ARG 139 CO -0.06 -0.46 1.07 0.00 0.02 0.00 0.00 175.30 175.88 1wqa s ALA 140 N -0.39 2.68 0.68 2.13 0.00 0.34 -4.96 121.76 122.24 1wqa s ALA 140 Ca 0.57 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1wqa s ALA 140 Cb -0.44 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1wqa s ALA 140 CO 0.50 -0.87 1.08 0.15 0.00 0.00 0.00 175.76 176.61 1wqa s LYS 141 N -3.93 2.83 0.29 0.00 1.02 -1.26 -4.83 119.74 113.85 1wqa s LYS 141 Ca 0.66 1.19 0.03 0.00 0.02 0.00 0.00 55.97 57.86 1wqa s LYS 141 Cb -0.18 -1.97 0.67 0.00 -0.52 0.00 0.00 37.83 35.84 1wqa s LYS 141 CO 0.36 -1.20 1.75 0.11 -0.92 0.00 0.00 175.35 175.45 1wqa h TRP 142 N -0.33 0.88 -0.02 3.18 5.08 -1.98 0.35 115.95 123.12 1wqa h TRP 142 Ca -0.45 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1wqa h TRP 142 Cb 1.23 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 1wqa h TRP 142 CO 0.58 0.15 0.00 2.48 -1.28 0.00 0.00 178.44 180.37 1wqa n TYR 143 N -4.86 0.02 0.00 0.12 0.18 -1.26 -3.26 117.16 108.10 1wqa n TYR 143 Ca 0.21 -0.01 0.02 0.00 1.88 0.00 0.00 57.90 60.00 1wqa n TYR 143 Cb 0.55 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.56 1wqa n TYR 143 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1wqa n GLU 144 N -0.66 2.01 -1.84 -3.48 -0.58 0.09 -5.03 120.64 111.14 1wqa n GLU 144 Ca 0.18 -1.46 -0.41 0.00 -0.42 0.00 0.00 57.16 55.04 1wqa n GLU 144 Cb 0.13 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1wqa n GLU 144 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wqa s ILE 145 N -0.83 2.17 1.06 -3.67 1.01 -1.09 -4.24 121.20 115.61 1wqa s ILE 145 Ca 0.09 0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 1wqa s ILE 145 Cb 0.05 -3.10 0.22 0.00 0.01 0.00 0.00 42.46 39.64 1wqa s ILE 145 CO 0.07 0.03 1.08 -0.83 0.00 0.00 0.00 174.94 175.29 1wqa s GLY 146 N 0.12 1.56 0.18 6.18 0.00 -0.35 -4.93 107.32 110.09 1wqa s GLY 146 Ca 0.57 -0.42 0.11 0.00 0.00 0.00 0.00 44.72 44.98 1wqa s GLY 146 CO 0.55 0.25 -0.23 -0.54 0.00 0.00 0.00 173.10 173.12 1wqa s GLU 147 N -4.94 1.46 0.06 2.90 2.02 -1.26 -4.88 118.70 114.06 1wqa s GLU 147 Ca 0.66 -1.49 0.08 0.00 0.02 0.00 0.00 54.97 54.25 1wqa s GLU 147 Cb -0.19 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 1wqa s GLU 147 CO 0.58 0.38 -0.22 0.54 0.02 0.00 0.00 175.26 176.56 1wqa s VAL 148 N -1.68 1.81 0.05 2.63 0.11 -1.26 -0.64 120.40 121.42 1wqa s VAL 148 Ca 0.19 -1.32 -0.01 0.00 -2.93 0.00 0.00 61.98 57.91 1wqa s VAL 148 Cb -0.08 -1.58 -0.03 0.00 -1.53 0.00 0.00 36.38 33.16 1wqa s VAL 148 CO 0.09 0.20 -0.02 0.00 -3.33 0.00 0.00 175.10 172.04 1wqa s ARG 149 N -1.34 0.56 -0.06 1.54 1.70 -0.55 -4.97 118.95 115.84 1wqa s ARG 149 Ca 0.09 -1.08 -0.03 0.00 -0.47 0.00 0.00 55.73 54.24 1wqa s ARG 149 Cb -0.09 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1wqa s ARG 149 CO 0.02 -0.10 0.10 1.03 -1.08 0.00 0.00 175.30 175.26 1wqa s ARG 150 N -3.40 3.21 -0.02 3.89 0.52 -1.26 -0.57 118.95 121.32 1wqa s ARG 150 Ca 0.02 -0.34 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1wqa s ARG 150 Cb 0.04 -2.97 0.01 0.00 0.52 0.00 0.00 34.95 32.55 1wqa s ARG 150 CO -0.08 0.70 -0.05 -1.21 0.02 0.00 0.00 175.30 174.68 1wqa s GLU 151 N -1.38 0.60 -0.30 3.54 0.41 -0.71 -4.92 118.70 115.95 1wqa s GLU 151 Ca 0.19 -0.15 -0.13 0.00 -0.41 0.00 0.00 54.97 54.47 1wqa s GLU 151 Cb -0.12 -0.61 -0.03 0.00 -1.78 0.00 0.00 34.13 31.58 1wqa s GLU 151 CO 0.09 0.03 0.29 0.34 -0.49 0.00 0.00 175.26 175.52 1wqa s ASP 152 N 0.36 6.13 0.00 -0.19 -1.08 -1.26 -4.21 116.67 116.43 1wqa s ASP 152 Ca -0.04 -0.02 0.12 0.00 -0.52 0.00 0.00 52.55 52.09 1wqa s ASP 152 Cb -0.08 -2.17 0.19 0.00 -1.46 0.00 0.00 42.92 39.40 1wqa s ASP 152 CO -0.00 -0.18 1.05 2.30 0.52 0.00 0.00 175.17 178.85 1wqa n ILE 153 N 5.13 0.39 0.24 4.11 -5.35 -1.26 -4.71 119.36 117.91 1wqa n ILE 153 Ca -0.11 -0.69 -0.16 0.00 -0.27 0.00 0.00 62.75 61.52 1wqa n ILE 153 Cb 0.51 0.96 -0.08 0.00 -1.74 0.00 0.00 39.64 39.29 1wqa n ILE 153 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1wqa h ILE 154 N 2.38 0.42 -0.36 7.28 1.08 -1.93 0.44 117.51 126.80 1wqa h ILE 154 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1wqa h ILE 154 Cb 0.61 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1wqa h ILE 154 CO 0.00 0.00 0.12 0.50 -0.69 0.00 0.00 178.15 178.08 1wqa h LYS 155 N -0.67 0.57 -0.96 2.37 3.64 -1.96 -0.97 116.57 118.57 1wqa h LYS 155 Ca -0.04 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1wqa h LYS 155 Cb 0.57 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 1wqa h LYS 155 CO 0.02 0.58 0.63 -1.35 -2.27 0.00 0.00 179.45 177.06 1wqa h PRO 156 N 0.44 1.15 -0.04 1.90 0.11 -1.83 0.59 132.00 134.33 1wqa h PRO 156 Ca 0.12 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1wqa h PRO 156 Cb 0.25 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1wqa h PRO 156 CO -0.00 0.76 -0.01 -0.92 -0.21 0.00 0.00 178.00 177.62 1wqa h TYR 157 N 1.19 0.08 -0.38 0.65 3.20 -0.62 -0.50 116.97 120.60 1wqa h TYR 157 Ca 0.39 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.28 1wqa h TYR 157 Cb 0.06 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1wqa h TYR 157 CO -0.00 0.40 0.18 0.82 -1.64 0.00 0.00 178.16 177.92 1wqa h ILE 158 N -0.25 0.97 -0.69 1.81 2.04 -0.87 -1.71 117.51 118.80 1wqa h ILE 158 Ca 0.01 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1wqa h ILE 158 Cb 0.37 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1wqa h ILE 158 CO 0.00 0.07 0.46 -0.33 0.00 0.00 0.00 178.15 178.35 1wqa h GLU 159 N 0.37 0.91 -0.70 2.37 4.39 -0.79 -1.05 114.58 120.08 1wqa h GLU 159 Ca 0.16 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1wqa h GLU 159 Cb 0.08 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1wqa h GLU 159 CO -0.12 0.60 0.26 0.00 -1.16 0.00 0.00 179.01 178.59 1wqa h ALA 160 N 1.57 1.14 -0.10 3.43 0.00 -0.23 -2.10 119.26 122.97 1wqa h ALA 160 Ca 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1wqa h ALA 160 Cb -0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1wqa h ALA 160 CO -0.05 0.61 -0.12 0.82 0.00 0.00 0.00 179.25 180.50 1wqa h ILE 161 N 1.02 1.37 -0.85 0.00 2.04 -0.59 -3.24 117.51 117.25 1wqa h ILE 161 Ca 0.23 -1.31 0.09 0.00 1.00 0.00 0.00 64.86 64.87 1wqa h ILE 161 Cb 0.22 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 1wqa h ILE 161 CO -0.02 0.37 0.55 0.11 0.00 0.00 0.00 178.15 179.17 1wqa h LYS 162 N -0.15 0.83 0.00 2.37 1.57 -1.05 0.26 116.57 120.40 1wqa h LYS 162 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1wqa h LYS 162 Cb 0.66 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1wqa h LYS 162 CO 0.03 0.55 0.00 -1.13 -0.57 0.00 0.00 179.45 178.33 1wqa n SER 163 N -4.51 0.29 0.03 0.86 3.41 -0.80 -1.69 113.62 111.20 1wqa n SER 163 Ca 0.14 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1wqa n SER 163 Cb 0.29 -0.66 0.07 0.00 -0.26 0.00 0.00 64.21 63.65 1wqa n SER 163 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wqa n LYS 164 N -1.86 0.27 -4.53 4.33 4.01 0.08 -4.97 118.16 115.49 1wqa n LYS 164 Ca 0.00 0.02 -0.25 0.00 -0.51 0.00 0.00 58.31 57.57 1wqa n LYS 164 Cb 0.06 -1.61 -0.11 0.00 -0.51 0.00 0.00 35.03 32.86 1wqa n LYS 164 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1wqa s VAL 165 N -3.18 1.75 -1.21 -0.18 -7.23 -0.68 -5.06 120.40 104.61 1wqa s VAL 165 Ca 0.05 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1wqa s VAL 165 Cb 0.14 -2.79 0.08 0.00 0.56 0.00 0.00 36.38 34.37 1wqa s VAL 165 CO 0.78 -0.09 1.62 -0.62 -0.31 0.00 0.00 175.10 176.48 1wqa s ASP 166 N -3.58 6.78 0.30 4.85 -1.08 -1.26 -4.84 116.67 117.83 1wqa s ASP 166 Ca 0.34 -2.27 -0.02 0.00 -0.52 0.00 0.00 52.55 50.09 1wqa s ASP 166 Cb 0.07 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.44 1wqa s ASP 166 CO 0.16 -1.20 1.96 0.58 0.52 0.00 0.00 175.17 177.19 1wqa h VAL 167 N 5.76 1.21 -0.73 1.11 2.07 -1.88 -2.49 116.25 121.30 1wqa h VAL 167 Ca 0.37 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1wqa h VAL 167 Cb 0.91 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1wqa h VAL 167 CO 1.42 0.21 0.24 -0.33 0.02 0.00 0.00 177.57 179.12 1wqa h GLU 168 N 1.07 1.12 -0.71 1.57 4.39 -1.88 0.40 114.58 120.53 1wqa h GLU 168 Ca 0.28 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1wqa h GLU 168 Cb -0.09 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.36 1wqa h GLU 168 CO -0.06 0.95 0.23 0.00 -1.16 0.00 0.00 179.01 178.97 1wqa h ALA 169 N 1.17 0.93 -0.27 3.43 0.00 -1.85 -1.31 119.26 121.38 1wqa h ALA 169 Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1wqa h ALA 169 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wqa h ALA 169 CO -0.01 0.61 -0.06 0.82 0.00 0.00 0.00 179.25 180.60 1wqa h ILE 170 N 1.05 1.28 -0.71 0.00 2.04 -1.02 -2.51 117.51 117.64 1wqa h ILE 170 Ca 0.23 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1wqa h ILE 170 Cb 0.29 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1wqa h ILE 170 CO -0.01 0.34 0.42 0.11 0.00 0.00 0.00 178.15 179.01 1wqa h LYS 171 N 0.27 0.95 -0.63 2.37 1.57 -0.79 0.28 116.57 120.59 1wqa h LYS 171 Ca 0.07 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1wqa h LYS 171 Cb 0.53 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1wqa h LYS 171 CO 0.03 0.67 0.28 -0.22 -0.57 0.00 0.00 179.45 179.64 1wqa h LYS 172 N 0.97 0.93 0.11 3.15 3.64 -1.06 -3.00 116.57 121.31 1wqa h LYS 172 Ca 0.25 -0.15 -0.27 0.00 -1.27 0.00 0.00 60.65 59.21 1wqa h LYS 172 Cb -0.03 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1wqa h LYS 172 CO -0.05 0.76 -1.19 -0.09 -2.27 0.00 0.00 179.45 176.61 1wqa h ARG 173 N 0.88 0.42 -5.67 1.90 1.12 -1.00 -3.49 114.38 108.54 1wqa h ARG 173 Ca 0.21 -0.60 -0.27 0.00 -1.11 0.00 0.00 59.98 58.22 1wqa h ARG 173 Cb 0.16 0.20 0.14 0.00 -0.01 0.00 0.00 29.97 30.46 1wqa h ARG 173 CO -0.02 1.25 -0.78 1.17 -3.11 0.00 0.00 179.97 178.48 1wqa n LYS 174 N -3.67 -1.85 -1.94 0.20 4.81 0.94 -4.93 118.16 111.73 1wqa n LYS 174 Ca -0.10 0.84 -0.37 0.00 -0.87 0.00 0.00 58.31 57.81 1wqa n LYS 174 Cb 0.98 -5.30 0.04 0.00 0.02 0.00 0.00 35.03 30.76 1wqa n LYS 174 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wqa s PRO 175 N -4.64 3.02 -0.42 1.64 0.04 -1.26 -4.50 135.00 128.88 1wqa s PRO 175 Ca 0.40 1.96 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 1wqa s PRO 175 Cb -0.08 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1wqa s PRO 175 CO 0.78 -1.20 0.30 0.12 0.04 0.00 0.00 177.00 177.03 1wqa s PHE 176 N -1.48 3.26 -0.06 0.56 5.36 -1.26 -0.70 117.98 123.66 1wqa s PHE 176 Ca 0.75 -0.97 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 1wqa s PHE 176 Cb -0.34 -2.80 -0.02 0.00 -0.34 0.00 0.00 43.02 39.53 1wqa s PHE 176 CO 0.38 -0.72 -0.20 0.08 -1.46 0.00 0.00 175.22 173.30 1wqa s VAL 177 N 1.59 2.50 -0.12 3.12 1.01 -0.60 -0.84 120.40 127.05 1wqa s VAL 177 Ca 0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1wqa s VAL 177 Cb -0.21 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1wqa s VAL 177 CO 0.07 0.57 0.01 -0.69 0.00 0.00 0.00 175.10 175.05 1wqa s VAL 178 N -0.28 4.34 -0.03 2.92 1.01 -0.97 -2.58 120.40 124.81 1wqa s VAL 178 Ca 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1wqa s VAL 178 Cb -0.13 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1wqa s VAL 178 CO 0.03 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 174.92 1wqa s VAL 179 N -0.35 0.63 -0.25 2.92 1.01 -0.61 -0.67 120.40 123.08 1wqa s VAL 179 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1wqa s VAL 179 Cb -0.12 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.72 1wqa s VAL 179 CO 0.02 0.21 -0.09 -0.62 0.00 0.00 0.00 175.10 174.62 1wqa s ASP 180 N 0.31 4.28 -0.00 3.32 -1.08 -0.07 -0.61 116.67 122.83 1wqa s ASP 180 Ca -0.04 -1.07 0.23 0.00 -0.52 0.00 0.00 52.55 51.15 1wqa s ASP 180 Cb -0.09 -1.61 0.65 0.00 -1.46 0.00 0.00 42.92 40.42 1wqa s ASP 180 CO 0.00 -0.15 1.54 0.35 0.52 0.00 0.00 175.17 177.44 1wqa n THR 181 N 4.58 1.00 -4.13 1.71 -2.24 -1.17 -1.32 114.28 112.70 1wqa n THR 181 Ca -0.16 -0.99 -0.33 0.00 -2.27 0.00 0.00 64.05 60.31 1wqa n THR 181 Cb 0.45 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 1wqa n THR 181 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wqa n SER 182 N 1.66 -2.43 -0.96 3.42 2.88 -1.22 -0.35 113.62 116.62 1wqa n SER 182 Ca 0.25 -1.00 -0.11 0.00 -1.33 0.00 0.00 58.87 56.68 1wqa n SER 182 Cb 0.63 -2.90 -0.05 0.00 -0.75 0.00 0.00 64.21 61.14 1wqa n SER 182 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wqa n ASN 183 N -2.77 -4.57 -1.80 -3.46 5.03 0.17 -4.76 115.26 103.10 1wqa n ASN 183 Ca -0.05 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.67 1wqa n ASN 183 Cb 0.56 -3.62 0.00 0.00 -1.02 0.00 0.00 39.78 35.69 1wqa n ASN 183 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wqa n GLY 184 N 0.08 1.11 0.28 7.41 0.00 0.53 -1.49 105.19 113.10 1wqa n GLY 184 Ca -0.11 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.06 1wqa n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqa h ALA 185 N -0.36 1.35 0.00 4.61 0.00 -1.43 -0.84 119.26 122.58 1wqa h ALA 185 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wqa h ALA 185 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wqa h ALA 185 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1wqa n GLY 186 N -0.89 -1.23 0.26 0.00 0.00 -1.26 -2.20 105.19 99.87 1wqa n GLY 186 Ca -0.02 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1wqa n GLY 186 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wqa h SER 187 N 0.00 0.00 0.59 1.61 0.02 -1.37 -1.62 113.55 112.77 1wqa h SER 187 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wqa h SER 187 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1wqa h SER 187 CO 0.00 0.09 -0.24 0.18 -1.14 0.00 0.00 176.83 175.72 1wqa n LEU 188 N -4.06 0.39 0.06 5.07 4.77 -0.93 -4.67 117.00 117.63 1wqa n LEU 188 Ca -0.03 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1wqa n LEU 188 Cb 0.17 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1wqa n LEU 188 CO 0.32 0.08 -0.09 0.35 -1.33 0.00 0.00 177.39 176.72 1wqa n THR 189 N -1.29 0.58 -0.23 -5.08 -2.24 -0.80 -4.84 114.28 100.37 1wqa n THR 189 Ca 0.09 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1wqa n THR 189 Cb 0.32 -1.19 0.12 0.00 -2.10 0.00 0.00 70.33 67.48 1wqa n THR 189 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1wqa h LEU 190 N 0.00 0.43 -1.50 3.22 5.85 -1.60 -0.53 115.31 121.19 1wqa h LEU 190 Ca 0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1wqa h LEU 190 Cb 0.18 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1wqa h LEU 190 CO 0.00 0.26 0.35 -0.65 -0.34 0.00 0.00 178.44 178.05 1wqa h PRO 191 N 0.58 0.66 0.09 5.25 0.11 -1.83 -0.36 132.00 136.50 1wqa h PRO 191 Ca 0.33 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 66.15 1wqa h PRO 191 Cb 0.32 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 31.31 1wqa h PRO 191 CO -0.25 0.44 -1.03 1.88 -0.21 0.00 0.00 178.00 178.82 1wqa h TYR 192 N 0.68 0.86 -0.33 0.65 0.05 -1.71 -2.47 116.97 114.70 1wqa h TYR 192 Ca 0.20 -0.53 0.01 0.00 0.05 0.00 0.00 58.73 58.45 1wqa h TYR 192 Cb -0.03 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1wqa h TYR 192 CO -0.00 1.38 0.21 1.25 -1.05 0.00 0.00 178.16 179.95 1wqa h LEU 193 N 0.10 0.35 -0.56 3.88 5.85 -0.82 -0.66 115.31 123.44 1wqa h LEU 193 Ca -0.16 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1wqa h LEU 193 Cb 1.74 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.66 1wqa h LEU 193 CO 0.20 0.25 0.30 -0.07 -0.34 0.00 0.00 178.44 178.78 1wqa h LEU 194 N 0.42 0.71 -0.41 2.25 3.38 -1.10 -0.40 115.31 120.16 1wqa h LEU 194 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1wqa h LEU 194 Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1wqa h LEU 194 CO -0.04 0.61 0.18 -0.09 0.09 0.00 0.00 178.44 179.18 1wqa h ARG 195 N 0.75 0.60 0.00 1.13 2.43 -1.25 -1.33 114.38 116.71 1wqa h ARG 195 Ca 0.20 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1wqa h ARG 195 Cb 0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1wqa h ARG 195 CO -0.03 0.54 -0.18 0.93 -1.51 0.00 0.00 179.97 179.72 1wqa h GLU 196 N 0.52 0.00 0.00 0.20 5.08 -0.81 -1.38 114.58 118.18 1wqa h GLU 196 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wqa h GLU 196 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1wqa h GLU 196 CO -0.01 0.18 0.00 -0.07 -1.00 0.00 0.00 179.01 178.10 1wqa h LEU 197 N 0.00 0.00 0.00 1.33 3.38 -0.70 -3.46 115.31 115.86 1wqa h LEU 197 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wqa h LEU 197 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wqa h LEU 197 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1wqa n GLY 198 N 0.44 1.49 3.90 0.83 0.00 -0.52 -3.21 105.19 108.12 1wqa n GLY 198 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1wqa n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqa s LYS 200 N -3.94 4.34 -0.07 0.00 2.20 0.12 -4.39 119.74 118.01 1wqa s LYS 200 Ca 0.47 0.74 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 1wqa s LYS 200 Cb -0.10 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1wqa s LYS 200 CO 0.34 -0.06 -0.19 0.08 -0.36 0.00 0.00 175.35 175.16 1wqa s VAL 201 N 1.26 1.60 -0.03 4.02 1.01 -1.26 -1.56 120.40 125.44 1wqa s VAL 201 Ca 0.33 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1wqa s VAL 201 Cb -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1wqa s VAL 201 CO 0.14 0.46 -0.22 -0.63 0.00 0.00 0.00 175.10 174.85 1wqa s ILE 202 N 0.31 1.73 0.15 2.22 -1.09 -1.06 -5.04 121.20 118.42 1wqa s ILE 202 Ca -0.12 -0.92 0.10 0.00 -2.23 0.00 0.00 60.65 57.47 1wqa s ILE 202 Cb -0.15 -1.45 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 1wqa s ILE 202 CO 0.05 0.49 -0.22 0.42 -1.23 0.00 0.00 174.94 174.45 1wqa s THR 203 N -0.39 2.00 -0.07 2.92 -4.23 -1.26 -1.58 115.64 113.03 1wqa s THR 203 Ca 0.05 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1wqa s THR 203 Cb -0.10 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.89 1wqa s THR 203 CO 0.00 -0.13 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.10 1wqa s VAL 204 N -1.55 1.42 -1.39 2.29 1.01 0.22 -4.80 120.40 117.60 1wqa s VAL 204 Ca 0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1wqa s VAL 204 Cb -0.08 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1wqa s VAL 204 CO 0.07 0.42 0.81 0.59 0.00 0.00 0.00 175.10 176.98 1wqa n ASN 205 N 3.66 -2.60 -1.41 3.32 3.02 -1.26 -3.05 115.26 116.95 1wqa n ASN 205 Ca -0.21 -0.80 0.10 0.00 -0.03 0.00 0.00 54.58 53.63 1wqa n ASN 205 Cb 0.52 -3.99 0.32 0.00 -0.61 0.00 0.00 39.78 36.03 1wqa n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wqa n ALA 206 N -4.45 2.71 -2.68 5.41 0.00 -1.26 -0.65 120.51 119.59 1wqa n ALA 206 Ca -0.17 -1.35 -0.39 0.00 0.00 0.00 0.00 53.44 51.53 1wqa n ALA 206 Cb 0.62 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 1wqa n ALA 206 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wqa s GLN 207 N -1.43 4.23 0.09 0.00 0.00 -1.26 -4.76 119.66 116.53 1wqa s GLN 207 Ca 0.48 0.45 -0.31 0.00 -0.00 0.00 0.00 55.36 55.98 1wqa s GLN 207 Cb 0.28 -3.53 -0.09 0.00 0.00 0.00 0.00 33.01 29.67 1wqa s GLN 207 CO 0.28 -0.08 1.72 -2.14 0.00 0.00 0.00 175.29 175.07 1wqa s PRO 208 N 1.40 4.18 -0.29 9.60 0.02 -1.26 -4.27 135.00 144.37 1wqa s PRO 208 Ca 0.25 2.43 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 1wqa s PRO 208 Cb -0.15 -3.61 0.18 0.00 0.02 0.00 0.00 34.50 30.94 1wqa s PRO 208 CO 0.10 -0.78 0.56 0.34 -0.33 0.00 0.00 177.00 176.89 1wqa s ASP 209 N 2.55 -1.10 0.11 2.53 -1.08 -0.56 -5.01 116.67 114.11 1wqa s ASP 209 Ca 0.77 0.63 0.09 0.00 -0.52 0.00 0.00 52.55 53.52 1wqa s ASP 209 Cb -0.42 1.95 0.45 0.00 -1.46 0.00 0.00 42.92 43.43 1wqa s ASP 209 CO 0.34 -0.28 1.27 0.61 0.52 0.00 0.00 175.17 177.63 1wqa n GLY 210 N 5.42 -0.68 0.00 2.66 0.00 -1.07 -0.84 105.19 110.68 1wqa n GLY 210 Ca -0.01 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1wqa n GLY 210 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wqa n TYR 211 N -1.76 0.02 -3.89 1.61 4.01 -1.26 -4.31 117.16 111.57 1wqa n TYR 211 Ca -0.00 0.01 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 1wqa n TYR 211 Cb 0.03 -0.51 0.03 0.00 -0.31 0.00 0.00 39.34 38.58 1wqa n TYR 211 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wqa n PHE 212 N -1.52 -1.64 -0.28 -0.72 3.72 -0.02 -4.84 117.46 112.16 1wqa n PHE 212 Ca 0.07 0.30 0.13 0.00 -0.05 0.00 0.00 57.45 57.90 1wqa n PHE 212 Cb 0.32 -3.15 0.38 0.00 -0.94 0.00 0.00 39.48 36.09 1wqa n PHE 212 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1wqa h PRO 213 N -2.22 0.66 -0.21 -1.08 0.11 -1.93 -2.73 132.00 124.60 1wqa h PRO 213 Ca -0.69 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.35 1wqa h PRO 213 Cb 1.38 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1wqa h PRO 213 CO 0.51 0.44 -0.01 0.00 -0.21 0.00 0.00 178.00 178.73 1wqa h ALA 214 N 1.60 0.29 0.00 -0.75 0.00 -1.93 -3.48 119.26 114.98 1wqa h ALA 214 Ca 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wqa h ALA 214 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1wqa h ALA 214 CO -0.22 0.03 0.00 2.89 0.00 0.00 0.00 179.25 181.95 1wqa n ARG 215 N -4.66 0.00 -1.72 0.00 0.00 -1.03 -5.10 116.66 104.15 1wqa n ARG 215 Ca -0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.38 1wqa n ARG 215 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.69 1wqa n ARG 215 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1wqa n ASN 216 N 0.00 3.20 -2.70 2.89 3.02 -1.26 -4.79 115.26 115.63 1wqa n ASN 216 Ca 0.00 1.18 -0.14 0.00 -0.03 0.00 0.00 54.58 55.59 1wqa n ASN 216 Cb 0.00 -1.52 -0.05 0.00 -0.61 0.00 0.00 39.78 37.60 1wqa n ASN 216 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wqa n PRO 217 N 1.34 1.56 -4.01 3.52 -0.04 -1.25 -4.80 135.00 131.33 1wqa n PRO 217 Ca 0.07 -0.99 -0.31 0.00 -0.04 0.00 0.00 63.50 62.23 1wqa n PRO 217 Cb 0.35 -2.11 -0.16 0.00 -0.04 0.00 0.00 33.50 31.55 1wqa n PRO 217 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wqa s GLU 218 N 2.69 2.10 0.00 0.54 2.12 -1.25 -1.92 118.70 122.96 1wqa s GLU 218 Ca 0.37 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.76 1wqa s GLU 218 Cb 0.14 -2.48 -0.18 0.00 0.26 0.00 0.00 34.13 31.86 1wqa s GLU 218 CO -0.02 -0.44 2.93 -2.30 -0.54 0.00 0.00 175.26 174.90 1wqa n PRO 219 N 4.65 1.57 -2.05 4.30 -0.02 -1.26 -4.74 135.00 137.45 1wqa n PRO 219 Ca -0.15 -0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 60.37 1wqa n PRO 219 Cb 0.46 -1.72 0.03 0.00 -0.02 0.00 0.00 33.50 32.25 1wqa n PRO 219 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wqa s ASN 220 N 2.07 5.84 0.27 2.55 6.03 -1.26 -4.89 114.94 125.55 1wqa s ASN 220 Ca 0.45 1.14 0.00 0.00 -1.03 0.00 0.00 52.86 53.42 1wqa s ASN 220 Cb 0.21 -2.12 0.55 0.00 -3.03 0.00 0.00 41.25 36.86 1wqa s ASN 220 CO 0.00 -1.04 1.80 -0.08 -2.03 0.00 0.00 177.10 175.74 1wqa h GLU 221 N -0.36 0.77 -0.28 3.55 4.81 -1.97 -2.12 114.58 118.98 1wqa h GLU 221 Ca -0.45 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1wqa h GLU 221 Cb 1.23 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1wqa h GLU 221 CO 0.62 0.51 0.05 0.93 -0.73 0.00 0.00 179.01 180.39 1wqa h GLU 222 N 0.79 0.14 0.00 1.92 5.08 -1.96 -2.42 114.58 118.14 1wqa h GLU 222 Ca 0.48 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 1wqa h GLU 222 Cb 0.59 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1wqa h GLU 222 CO -0.31 0.10 -0.13 -0.91 -1.00 0.00 0.00 179.01 176.76 1wqa h ASN 223 N 0.15 0.00 -0.53 1.42 -0.26 -1.69 -2.98 115.58 111.69 1wqa h ASN 223 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1wqa h ASN 223 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1wqa h ASN 223 CO -0.17 0.13 0.00 0.18 -1.06 0.00 0.00 177.43 176.50 1wqa n LEU 224 N -3.35 3.48 -0.14 1.61 4.77 -0.92 -4.52 117.00 117.92 1wqa n LEU 224 Ca -0.00 -1.75 -0.04 0.00 -0.03 0.00 0.00 56.01 54.19 1wqa n LEU 224 Cb 0.33 -0.45 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1wqa n LEU 224 CO 0.30 0.69 0.76 0.50 -1.33 0.00 0.00 177.39 178.31 1wqa h LYS 225 N 3.21 -0.03 -0.33 3.23 3.64 -1.38 0.14 116.57 125.05 1wqa h LYS 225 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1wqa h LYS 225 Cb 1.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1wqa h LYS 225 CO 0.11 -0.02 -0.20 0.93 -2.27 0.00 0.00 179.45 178.00 1wqa h GLU 226 N -0.03 0.72 -0.75 1.90 3.07 -1.87 -3.01 114.58 114.62 1wqa h GLU 226 Ca 0.22 -0.33 0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1wqa h GLU 226 Cb 0.37 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.21 1wqa h GLU 226 CO -0.49 0.94 0.44 0.35 -1.40 0.00 0.00 179.01 178.85 1wqa h PHE 227 N 0.49 0.80 -0.77 4.33 3.57 -1.61 -0.85 116.94 122.90 1wqa h PHE 227 Ca 0.07 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1wqa h PHE 227 Cb 0.75 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1wqa h PHE 227 CO 0.06 0.38 0.50 0.52 -2.23 0.00 0.00 178.31 177.54 1wqa h MET 228 N 0.79 0.97 -0.69 1.11 2.86 -0.71 -0.35 114.93 118.91 1wqa h MET 228 Ca 0.34 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1wqa h MET 228 Cb 0.21 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1wqa h MET 228 CO -0.19 0.64 0.24 0.93 1.06 0.00 0.00 176.91 179.59 1wqa h GLU 229 N 1.00 1.06 -0.54 1.72 4.39 -1.22 -2.55 114.58 118.44 1wqa h GLU 229 Ca 0.29 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1wqa h GLU 229 Cb -0.06 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 1wqa h GLU 229 CO -0.09 0.90 0.19 0.82 -1.16 0.00 0.00 179.01 179.68 1wqa h ILE 230 N 1.01 1.21 -0.56 3.13 2.04 -0.34 0.14 117.51 124.13 1wqa h ILE 230 Ca 0.23 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1wqa h ILE 230 Cb 0.26 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1wqa h ILE 230 CO -0.01 0.26 0.32 0.58 0.00 0.00 0.00 178.15 179.29 1wqa h VAL 231 N 0.78 1.18 -0.15 1.67 2.07 -0.69 -1.11 116.25 119.99 1wqa h VAL 231 Ca 0.18 -0.45 -0.22 0.00 0.82 0.00 0.00 66.70 67.03 1wqa h VAL 231 Cb 0.19 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1wqa h VAL 231 CO -0.01 0.20 -0.78 0.50 0.02 0.00 0.00 177.57 177.50 1wqa h LYS 232 N 0.76 0.79 -0.76 1.57 3.64 -1.17 -2.68 116.57 118.72 1wqa h LYS 232 Ca 0.20 -0.65 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1wqa h LYS 232 Cb 0.03 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1wqa h LYS 232 CO -0.03 1.26 0.41 0.00 -2.27 0.00 0.00 179.45 178.81 1wqa h ALA 233 N 0.54 0.98 0.00 5.00 0.00 -0.54 -2.17 119.26 123.07 1wqa h ALA 233 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wqa h ALA 233 Cb 1.41 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1wqa h ALA 233 CO 0.16 0.50 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 1wqa h LEU 234 N 1.06 0.00 0.24 0.00 3.38 -1.24 -3.47 115.31 115.29 1wqa h LEU 234 Ca 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1wqa h LEU 234 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1wqa h LEU 234 CO -0.04 0.00 -0.20 0.61 0.09 0.00 0.00 178.44 178.90 1wqa n GLY 235 N 0.41 0.23 3.83 0.83 0.00 -0.82 -5.02 105.19 104.65 1wqa n GLY 235 Ca 0.02 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1wqa n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqa s ALA 236 N -2.65 2.88 0.39 4.61 0.00 -1.03 -4.95 121.76 121.01 1wqa s ALA 236 Ca 0.08 0.21 0.16 0.00 0.00 0.00 0.00 51.96 52.41 1wqa s ALA 236 Cb -0.03 -3.17 0.94 0.00 0.00 0.00 0.00 23.12 20.86 1wqa s ALA 236 CO 0.09 -0.69 1.92 -0.44 0.00 0.00 0.00 175.76 176.64 1wqa h ASP 237 N 0.27 0.00 0.00 0.00 3.32 -1.33 -3.41 116.42 115.27 1wqa h ASP 237 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1wqa h ASP 237 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1wqa h ASP 237 CO 0.59 0.27 0.00 2.22 -1.72 0.00 0.00 179.24 180.60 1wqa n PHE 238 N -4.06 0.00 -4.33 4.55 1.16 -1.22 -3.40 117.46 110.16 1wqa n PHE 238 Ca -0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.35 1wqa n PHE 238 Cb 0.33 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.09 1wqa n PHE 238 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1wqa s GLY 239 N 0.00 1.37 -0.01 4.97 0.00 0.80 -2.28 107.32 112.18 1wqa s GLY 239 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.23 1wqa s GLY 239 CO 0.00 -1.55 -0.02 0.14 0.00 0.00 0.00 173.10 171.67 1wqa s VAL 240 N -2.17 0.18 -0.01 1.40 1.01 0.15 -0.90 120.40 120.06 1wqa s VAL 240 Ca 0.16 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1wqa s VAL 240 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1wqa s VAL 240 CO 0.06 0.07 -0.11 0.00 0.00 0.00 0.00 175.10 175.12 1wqa s ALA 241 N 0.14 0.98 0.29 5.51 0.00 0.12 -0.89 121.76 127.91 1wqa s ALA 241 Ca -0.01 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 51.57 1wqa s ALA 241 Cb -0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1wqa s ALA 241 CO -0.00 0.22 -0.08 -0.65 0.00 0.00 0.00 175.76 175.25 1wqa s GLN 242 N -0.18 2.00 0.79 0.00 -0.21 -0.44 0.16 119.66 121.78 1wqa s GLN 242 Ca 0.03 -1.65 -0.07 0.00 0.02 0.00 0.00 55.36 53.69 1wqa s GLN 242 Cb -0.05 -1.94 0.13 0.00 1.00 0.00 0.00 33.01 32.15 1wqa s GLN 242 CO -0.00 0.29 1.10 0.16 -2.12 0.00 0.00 175.29 174.72 1wqa s ASP 243 N -3.62 4.07 0.24 5.90 3.84 -1.24 -4.33 116.67 121.53 1wqa s ASP 243 Ca 0.32 0.02 -0.07 0.00 -0.00 0.00 0.00 52.55 52.82 1wqa s ASP 243 Cb -0.04 -0.36 0.43 0.00 -1.38 0.00 0.00 42.92 41.57 1wqa s ASP 243 CO 0.18 -2.07 1.63 1.23 -0.00 0.00 0.00 175.17 176.14 1wqa h GLY 244 N -0.89 0.83 -2.28 2.12 0.00 -1.19 -1.16 103.07 100.50 1wqa h GLY 244 Ca -0.41 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1wqa h GLY 244 CO 0.44 -0.29 0.00 2.09 0.00 0.00 0.00 176.54 178.78 1wqa n ASP 245 N -5.35 3.33 -2.55 0.19 3.85 -1.18 -1.23 116.55 113.61 1wqa n ASP 245 Ca 0.13 -1.99 -0.20 0.00 -0.71 0.00 0.00 54.79 52.03 1wqa n ASP 245 Cb 0.47 -0.40 -0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1wqa n ASP 245 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wqa n ALA 246 N 1.33 -0.73 0.08 2.12 0.00 -0.44 -1.12 120.51 121.74 1wqa n ALA 246 Ca 0.21 0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.84 1wqa n ALA 246 Cb 0.53 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 1wqa n ALA 246 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1wqa h ASP 247 N -0.27 0.00 -2.79 0.00 2.03 -1.86 -3.37 116.42 110.15 1wqa h ASP 247 Ca -0.46 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.25 1wqa h ASP 247 Cb 1.34 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.80 1wqa h ASP 247 CO 0.54 0.48 -0.49 -0.13 -1.03 0.00 0.00 179.24 178.61 1wqa s ARG 248 N -2.99 3.43 -0.03 4.15 0.52 -1.26 -0.07 118.95 122.70 1wqa s ARG 248 Ca -0.00 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1wqa s ARG 248 Cb 0.08 -3.01 0.03 0.00 0.52 0.00 0.00 34.95 32.57 1wqa s ARG 248 CO 0.79 0.58 0.06 0.00 0.02 0.00 0.00 175.30 176.74 1wqa s ALA 249 N -1.59 0.10 -0.11 2.13 0.00 -1.26 -3.69 121.76 117.35 1wqa s ALA 249 Ca 0.35 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1wqa s ALA 249 Cb -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1wqa s ALA 249 CO 0.28 -0.29 -0.14 0.08 0.00 0.00 0.00 175.76 175.69 1wqa s VAL 250 N 1.58 2.96 -0.01 0.00 1.01 0.12 -4.92 120.40 121.15 1wqa s VAL 250 Ca -0.03 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1wqa s VAL 250 Cb -0.12 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wqa s VAL 250 CO -0.03 0.54 0.07 -0.36 0.00 0.00 0.00 175.10 175.32 1wqa s PHE 251 N 0.07 3.27 -0.09 5.22 0.08 -1.26 -0.70 117.98 124.57 1wqa s PHE 251 Ca -0.06 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.20 1wqa s PHE 251 Cb -0.15 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1wqa s PHE 251 CO 0.05 0.54 -0.10 0.42 -0.10 0.00 0.00 175.22 176.03 1wqa s ILE 252 N -1.17 1.10 1.01 0.64 -1.09 -0.08 -1.32 121.20 120.28 1wqa s ILE 252 Ca 0.22 -0.40 -0.16 0.00 -2.23 0.00 0.00 60.65 58.07 1wqa s ILE 252 Cb -0.12 -1.05 0.21 0.00 -1.58 0.00 0.00 42.46 39.93 1wqa s ILE 252 CO 0.13 0.36 1.25 1.51 -1.23 0.00 0.00 174.94 176.96 1wqa s ASP 253 N 1.09 2.68 0.26 3.58 3.84 -0.47 -0.14 116.67 127.51 1wqa s ASP 253 Ca -0.06 0.43 0.18 0.00 -0.00 0.00 0.00 52.55 53.09 1wqa s ASP 253 Cb -0.14 -0.57 0.95 0.00 -1.38 0.00 0.00 42.92 41.78 1wqa s ASP 253 CO -0.01 -3.02 1.55 -1.84 -0.00 0.00 0.00 175.17 171.85 1wqa n GLU 254 N -3.99 0.12 -0.21 2.11 -0.00 -1.22 -1.05 120.64 116.41 1wqa n GLU 254 Ca 0.14 0.59 0.11 0.00 -0.00 0.00 0.00 57.16 58.00 1wqa n GLU 254 Cb 0.59 -1.87 0.26 0.00 -0.00 0.00 0.00 31.44 30.43 1wqa n GLU 254 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wqa n ASN 255 N -2.12 3.13 -0.05 -1.84 3.02 -1.26 -4.52 115.26 111.61 1wqa n ASN 255 Ca -0.01 -1.95 -0.01 0.00 -0.03 0.00 0.00 54.58 52.59 1wqa n ASN 255 Cb 0.04 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1wqa n ASN 255 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wqa n GLY 256 N 1.44 0.44 3.75 7.41 0.00 -0.21 -4.89 105.19 113.13 1wqa n GLY 256 Ca 0.19 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1wqa n GLY 256 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wqa s ARG 257 N -2.04 4.27 -0.15 1.61 3.52 -1.25 -4.81 118.95 120.10 1wqa s ARG 257 Ca 0.00 0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 55.86 1wqa s ARG 257 Cb 0.00 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1wqa s ARG 257 CO 0.00 0.32 1.27 0.12 -0.81 0.00 0.00 175.30 176.20 1wqa s PHE 258 N 0.06 2.85 -0.10 5.12 5.36 -1.26 -1.36 117.98 128.65 1wqa s PHE 258 Ca 0.28 0.99 -0.15 0.00 -0.96 0.00 0.00 56.93 57.09 1wqa s PHE 258 Cb -0.16 -3.51 -0.05 0.00 -0.34 0.00 0.00 43.02 38.95 1wqa s PHE 258 CO 0.13 -1.75 0.39 0.42 -1.46 0.00 0.00 175.22 172.94 1wqa s ILE 259 N 3.36 5.20 0.30 3.12 1.09 -0.44 -4.98 121.20 128.85 1wqa s ILE 259 Ca 0.56 0.76 -0.29 0.00 -1.10 0.00 0.00 60.65 60.58 1wqa s ILE 259 Cb -0.23 -3.71 -0.10 0.00 -1.06 0.00 0.00 42.46 37.36 1wqa s ILE 259 CO 0.16 0.42 1.31 -1.58 -0.10 0.00 0.00 174.94 175.15 1wqa s GLN 260 N 0.08 4.37 0.30 2.79 2.00 -1.26 -4.51 119.66 123.43 1wqa s GLN 260 Ca 0.22 2.17 0.06 0.00 -2.00 0.00 0.00 55.36 55.81 1wqa s GLN 260 Cb -0.15 -3.10 0.78 0.00 0.80 0.00 0.00 33.01 31.34 1wqa s GLN 260 CO 0.09 -0.19 1.74 0.78 -0.50 0.00 0.00 175.29 177.21 1wqa h GLY 261 N 3.85 1.75 2.00 2.59 0.00 -1.83 -0.90 103.07 110.53 1wqa h GLY 261 Ca -0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1wqa h GLY 261 CO 0.68 -0.17 -0.06 1.29 0.00 0.00 0.00 176.54 178.28 1wqa h ASP 262 N 0.61 0.00 -0.11 0.19 2.03 -1.75 -1.40 116.42 115.98 1wqa h ASP 262 Ca 0.59 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.83 1wqa h ASP 262 Cb 1.04 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1wqa h ASP 262 CO -0.45 0.06 -0.15 0.11 -1.03 0.00 0.00 179.24 177.79 1wqa h LYS 263 N 0.00 0.31 -0.05 4.15 1.79 -1.51 -0.81 116.57 120.44 1wqa h LYS 263 Ca -0.00 -0.18 -0.12 0.00 -2.18 0.00 0.00 60.65 58.18 1wqa h LYS 263 Cb 0.17 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1wqa h LYS 263 CO 0.01 0.74 -0.50 1.79 -1.08 0.00 0.00 179.45 180.41 1wqa h THR 264 N -0.11 1.35 -0.34 -0.16 1.35 -1.55 -0.50 112.91 112.95 1wqa h THR 264 Ca 0.01 -1.74 -0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1wqa h THR 264 Cb 0.70 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 1wqa h THR 264 CO 0.04 0.51 0.20 0.15 -0.25 0.00 0.00 175.52 176.17 1wqa h PHE 265 N 0.11 0.46 -0.50 4.73 3.57 -1.19 -0.78 116.94 123.34 1wqa h PHE 265 Ca 0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wqa h PHE 265 Cb 0.93 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1wqa h PHE 265 CO 0.01 0.34 0.29 0.00 -2.23 0.00 0.00 178.31 176.72 1wqa h ALA 266 N 1.08 0.64 -0.61 2.41 0.00 -0.79 0.18 119.26 122.18 1wqa h ALA 266 Ca 0.12 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1wqa h ALA 266 Cb 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1wqa h ALA 266 CO -0.02 0.14 0.33 1.25 0.00 0.00 0.00 179.25 180.94 1wqa h LEU 267 N 0.67 0.48 -0.12 0.00 5.85 -0.82 0.12 115.31 121.48 1wqa h LEU 267 Ca 0.18 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 1wqa h LEU 267 Cb 0.01 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1wqa h LEU 267 CO -0.03 0.32 -0.47 0.58 -0.34 0.00 0.00 178.44 178.49 1wqa h VAL 268 N 0.61 1.36 -0.74 1.05 2.07 -0.73 -3.04 116.25 116.84 1wqa h VAL 268 Ca 0.27 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1wqa h VAL 268 Cb 0.17 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1wqa h VAL 268 CO -0.17 0.54 0.48 0.00 0.02 0.00 0.00 177.57 178.43 1wqa h ALA 269 N 0.50 1.46 -0.12 1.67 0.00 -0.37 -0.91 119.26 121.49 1wqa h ALA 269 Ca -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1wqa h ALA 269 Cb 1.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1wqa h ALA 269 CO 0.10 0.49 0.04 0.22 0.00 0.00 0.00 179.25 180.11 1wqa h ASP 270 N 1.00 0.05 -0.34 0.00 3.58 -0.74 0.20 116.42 120.17 1wqa h ASP 270 Ca 0.27 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 1wqa h ASP 270 Cb -0.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1wqa h ASP 270 CO -0.06 0.05 0.03 0.00 -2.88 0.00 0.00 179.24 176.38 1wqa h ALA 271 N 1.07 0.46 -0.15 -0.78 0.00 -1.37 -2.16 119.26 116.34 1wqa h ALA 271 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wqa h ALA 271 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wqa h ALA 271 CO -0.05 0.19 0.01 0.28 0.00 0.00 0.00 179.25 179.68 1wqa h VAL 272 N 0.41 1.24 -0.19 0.00 2.07 -0.94 -1.77 116.25 117.07 1wqa h VAL 272 Ca 0.10 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 1wqa h VAL 272 Cb 0.40 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1wqa h VAL 272 CO 0.01 0.23 -0.14 -0.07 0.02 0.00 0.00 177.57 177.62 1wqa h LEU 273 N 0.01 0.29 -0.37 2.57 3.38 -0.66 -2.11 115.31 118.42 1wqa h LEU 273 Ca 0.04 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1wqa h LEU 273 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wqa h LEU 273 CO 0.01 0.46 -0.19 0.50 0.09 0.00 0.00 178.44 179.31 1wqa h LYS 274 N 0.29 0.79 -0.53 1.13 3.64 -1.26 0.19 116.57 120.82 1wqa h LYS 274 Ca 0.06 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1wqa h LYS 274 Cb 0.43 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1wqa h LYS 274 CO 0.03 0.97 0.32 0.93 -2.27 0.00 0.00 179.45 179.42 1wqa h GLU 275 N 0.58 0.62 0.00 1.90 5.08 -0.98 -2.37 114.58 119.41 1wqa h GLU 275 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1wqa h GLU 275 Cb 0.74 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1wqa h GLU 275 CO 0.06 0.41 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.14 1wqa h LYS 276 N 0.63 0.00 -4.16 2.33 3.64 -1.31 -3.48 116.57 114.23 1wqa h LYS 276 Ca 0.21 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.36 1wqa h LYS 276 Cb 0.01 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 31.93 1wqa h LYS 276 CO -0.09 0.00 -0.45 0.41 -2.27 0.00 0.00 179.45 177.05 1wqa n GLY 277 N 1.23 -0.02 0.00 5.01 0.00 0.59 -4.76 105.19 107.23 1wqa n GLY 277 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wqa n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wqa n GLY 278 N -1.27 0.46 0.00 -0.02 0.00 -0.64 -4.93 105.19 98.80 1wqa n GLY 278 Ca -0.09 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1wqa n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wqa n GLY 279 N 0.00 0.06 2.80 -0.02 0.00 -1.26 -4.69 105.19 102.08 1wqa n GLY 279 Ca 0.00 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 1wqa n GLY 279 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wqa s LEU 280 N 0.00 0.80 -0.18 0.99 2.96 -1.26 -0.86 118.68 121.12 1wqa s LEU 280 Ca 0.00 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 1wqa s LEU 280 Cb 0.00 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 1wqa s LEU 280 CO 0.00 -0.16 0.11 -0.22 -1.32 0.00 0.00 176.35 174.76 1wqa s LEU 281 N 1.65 4.09 -0.10 -0.68 0.20 -0.02 -0.30 118.68 123.52 1wqa s LEU 281 Ca 0.00 0.21 0.02 0.00 0.69 0.00 0.00 54.13 55.05 1wqa s LEU 281 Cb -0.13 -2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 43.58 1wqa s LEU 281 CO -0.04 0.21 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.36 1wqa s VAL 282 N 0.16 2.61 0.15 1.68 1.01 -0.43 -1.07 120.40 124.51 1wqa s VAL 282 Ca 0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1wqa s VAL 282 Cb -0.12 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1wqa s VAL 282 CO -0.01 0.55 0.27 1.07 0.00 0.00 0.00 175.10 176.98 1wqa n THR 283 N 3.32 0.00 -2.96 3.92 5.66 -0.35 -1.57 114.28 122.30 1wqa n THR 283 Ca -0.18 -0.46 -0.18 0.00 -3.05 0.00 0.00 64.05 60.18 1wqa n THR 283 Cb 0.53 0.39 0.02 0.00 -1.55 0.00 0.00 70.33 69.71 1wqa n THR 283 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wqa s THR 284 N -2.64 2.88 -0.20 1.09 -4.23 -1.26 -0.74 115.64 110.54 1wqa s THR 284 Ca 0.07 -0.95 0.28 0.00 -1.18 0.00 0.00 61.69 59.91 1wqa s THR 284 Cb -0.01 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.19 1wqa s THR 284 CO 0.05 0.00 1.83 -0.37 -0.54 0.00 0.00 174.62 175.59 1wqa h VAL 285 N 0.51 0.00 -0.02 2.29 -1.51 -1.53 -2.72 116.25 113.27 1wqa h VAL 285 Ca -0.39 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1wqa h VAL 285 Cb 1.28 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1wqa h VAL 285 CO 0.46 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.78 1wqa n ALA 286 N -1.88 2.58 -1.85 5.19 0.00 -1.26 -4.94 120.51 118.35 1wqa n ALA 286 Ca 0.01 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.61 1wqa n ALA 286 Cb 0.21 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 1wqa n ALA 286 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wqa s THR 287 N -2.02 4.35 0.57 0.00 2.01 -1.03 -4.76 115.64 114.76 1wqa s THR 287 Ca 0.36 1.58 -0.20 0.00 0.31 0.00 0.00 61.69 63.74 1wqa s THR 287 Cb 0.21 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1wqa s THR 287 CO 0.34 -0.08 1.06 -0.24 -0.69 0.00 0.00 174.62 175.01 1wqa n SER 288 N -0.01 1.25 0.27 3.53 2.88 -1.26 -4.86 113.62 115.42 1wqa n SER 288 Ca 0.04 0.87 0.18 0.00 -1.33 0.00 0.00 58.87 58.63 1wqa n SER 288 Cb 0.52 -1.43 0.90 0.00 -0.75 0.00 0.00 64.21 63.46 1wqa n SER 288 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1wqa h ASN 289 N 0.79 0.00 -1.05 -3.46 -0.26 -1.98 -2.37 115.58 107.25 1wqa h ASN 289 Ca -0.49 0.00 0.27 0.00 -0.56 0.00 0.00 56.30 55.53 1wqa h ASN 289 Cb 1.35 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 38.50 1wqa h ASN 289 CO 0.53 0.00 0.65 0.25 -1.06 0.00 0.00 177.43 177.80 1wqa h LEU 290 N 0.00 0.52 -0.94 1.61 5.85 -1.92 0.37 115.31 120.80 1wqa h LEU 290 Ca 0.00 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1wqa h LEU 290 Cb 0.18 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1wqa h LEU 290 CO 0.00 0.06 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.57 1wqa h LEU 291 N 0.43 0.05 -0.62 2.25 -0.00 -1.78 -1.56 115.31 114.07 1wqa h LEU 291 Ca 0.64 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.88 58.37 1wqa h LEU 291 Cb 1.50 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 42.13 1wqa h LEU 291 CO -0.39 0.55 -0.22 0.44 -0.00 0.00 0.00 178.44 178.82 1wqa h ASP 292 N 0.03 0.87 -0.65 -0.43 3.32 -0.48 -1.58 116.42 117.50 1wqa h ASP 292 Ca -0.00 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1wqa h ASP 292 Cb 0.92 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1wqa h ASP 292 CO 0.07 1.06 0.29 0.44 -1.72 0.00 0.00 179.24 179.38 1wqa h ASP 293 N 0.74 0.88 -0.55 6.45 3.32 -0.74 -0.20 116.42 126.32 1wqa h ASP 293 Ca 0.10 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1wqa h ASP 293 Cb 0.76 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1wqa h ASP 293 CO 0.06 0.78 0.07 0.40 -1.72 0.00 0.00 179.24 178.83 1wqa h ILE 294 N 0.91 1.26 -0.17 0.35 1.08 -1.09 -1.04 117.51 118.82 1wqa h ILE 294 Ca 0.22 -1.01 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1wqa h ILE 294 Cb 0.16 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1wqa h ILE 294 CO -0.02 0.36 0.06 0.00 -0.69 0.00 0.00 178.15 177.86 1wqa h ALA 295 N 0.98 0.22 -0.06 1.87 0.00 -0.96 -3.00 119.26 118.32 1wqa h ALA 295 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1wqa h ALA 295 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1wqa h ALA 295 CO 0.02 -0.17 -0.12 0.87 0.00 0.00 0.00 179.25 179.85 1wqa h LYS 296 N 0.10 -0.16 -1.42 0.00 1.79 -0.91 0.93 116.57 116.91 1wqa h LYS 296 Ca 0.05 0.01 0.44 0.00 -2.18 0.00 0.00 60.65 58.97 1wqa h LYS 296 Cb 0.20 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.79 1wqa h LYS 296 CO -0.00 -0.11 0.95 -0.22 -1.08 0.00 0.00 179.45 178.99 1wqa h LYS 297 N -0.17 0.08 -0.28 3.15 3.64 -1.05 0.28 116.57 122.22 1wqa h LYS 297 Ca 0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1wqa h LYS 297 Cb 0.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1wqa h LYS 297 CO -0.16 0.05 0.00 0.72 -2.27 0.00 0.00 179.45 177.80 1wqa n HIS 298 N -4.47 0.49 -2.42 1.91 8.25 -0.62 -4.97 115.22 113.39 1wqa n HIS 298 Ca 0.36 -0.58 -0.14 0.00 -0.26 0.00 0.00 57.72 57.09 1wqa n HIS 298 Cb 1.48 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 32.51 1wqa n HIS 298 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wqa n GLY 299 N 0.16 -0.19 3.92 -1.41 0.00 0.99 -3.10 105.19 105.55 1wqa n GLY 299 Ca 0.12 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1wqa n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqa s ALA 300 N -2.79 4.00 0.56 4.61 0.00 0.23 -4.44 121.76 123.92 1wqa s ALA 300 Ca 0.06 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1wqa s ALA 300 Cb -0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 1wqa s ALA 300 CO 0.08 0.81 0.96 0.15 0.00 0.00 0.00 175.76 177.76 1wqa s LYS 301 N -2.42 3.68 -0.04 0.00 1.02 -0.04 -4.29 119.74 117.66 1wqa s LYS 301 Ca 0.34 0.68 0.05 0.00 0.02 0.00 0.00 55.97 57.06 1wqa s LYS 301 Cb -0.13 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1wqa s LYS 301 CO 0.26 -0.40 -0.18 0.08 -0.92 0.00 0.00 175.35 174.19 1wqa s VAL 302 N -2.93 1.50 -0.12 3.17 1.01 -1.26 -0.84 120.40 120.93 1wqa s VAL 302 Ca 0.54 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1wqa s VAL 302 Cb -0.11 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1wqa s VAL 302 CO 0.46 0.43 -0.22 -0.32 0.00 0.00 0.00 175.10 175.45 1wqa s MET 303 N -0.12 3.07 -0.34 2.72 1.75 -0.23 -4.96 119.30 121.18 1wqa s MET 303 Ca -0.00 -0.85 -0.07 0.00 -1.25 0.00 0.00 55.69 53.51 1wqa s MET 303 Cb -0.10 -2.40 0.04 0.00 2.84 0.00 0.00 34.83 35.20 1wqa s MET 303 CO 0.01 0.09 0.12 1.03 -0.65 0.00 0.00 175.02 175.63 1wqa s ARG 304 N 0.56 2.68 0.52 4.11 1.81 -1.25 -1.22 118.95 126.16 1wqa s ARG 304 Ca -0.13 -1.14 0.09 0.00 -1.72 0.00 0.00 55.73 52.83 1wqa s ARG 304 Cb -0.17 -3.50 0.06 0.00 -0.45 0.00 0.00 34.95 30.89 1wqa s ARG 304 CO 0.04 -0.66 0.68 0.95 -0.68 0.00 0.00 175.30 175.63 1wqa s THR 305 N 1.43 2.36 0.94 0.02 -4.23 0.08 -4.71 115.64 111.53 1wqa s THR 305 Ca -0.01 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1wqa s THR 305 Cb -0.19 -2.42 0.15 0.00 1.34 0.00 0.00 72.50 71.38 1wqa s THR 305 CO 0.03 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.66 1wqa s LYS 306 N -4.52 0.92 0.24 3.99 1.02 -1.26 -1.45 119.74 118.66 1wqa s LYS 306 Ca 0.57 0.95 -0.23 0.00 0.02 0.00 0.00 55.97 57.28 1wqa s LYS 306 Cb -0.06 -1.76 -0.09 0.00 -0.52 0.00 0.00 37.83 35.40 1wqa s LYS 306 CO 0.35 -2.51 0.79 0.08 -0.92 0.00 0.00 175.35 173.15 1wqa s VAL 307 N -2.81 4.43 0.00 3.17 1.01 -1.26 -4.71 120.40 120.23 1wqa s VAL 307 Ca 0.65 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1wqa s VAL 307 Cb -0.20 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1wqa s VAL 307 CO 0.58 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1wqa n GLY 308 N 0.88 4.26 3.77 4.51 0.00 -1.26 -5.03 105.19 112.31 1wqa n GLY 308 Ca -0.02 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 1wqa n GLY 308 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wqa s ASP 309 N 0.00 6.11 0.00 1.61 1.11 -1.26 -3.12 116.67 121.12 1wqa s ASP 309 Ca 0.00 2.62 0.00 0.00 0.18 0.00 0.00 52.55 55.35 1wqa s ASP 309 Cb 0.00 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1wqa s ASP 309 CO 0.00 -0.98 0.00 0.18 1.18 0.00 0.00 175.17 175.55 1wqa n LEU 310 N -0.16 0.00 0.01 1.23 4.77 -1.26 -4.82 117.00 116.77 1wqa n LEU 310 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1wqa n LEU 310 Cb 0.44 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1wqa n LEU 310 CO 0.54 0.00 0.80 0.40 -1.33 0.00 0.00 177.39 177.80 1wqa h ILE 311 N 0.00 1.14 -0.31 -0.08 2.04 -1.90 0.13 117.51 118.53 1wqa h ILE 311 Ca 0.00 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1wqa h ILE 311 Cb 0.00 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1wqa h ILE 311 CO 0.00 0.11 0.17 0.58 0.00 0.00 0.00 178.15 179.01 1wqa h VAL 312 N -0.11 1.13 -0.55 1.67 2.07 -1.88 -0.70 116.25 117.88 1wqa h VAL 312 Ca 0.01 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1wqa h VAL 312 Cb 0.17 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1wqa h VAL 312 CO -0.00 0.13 0.36 0.00 0.02 0.00 0.00 177.57 178.08 1wqa h ALA 313 N 1.04 0.71 -0.78 1.67 0.00 -1.89 0.11 119.26 120.11 1wqa h ALA 313 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wqa h ALA 313 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1wqa h ALA 313 CO -0.02 0.11 0.34 -0.09 0.00 0.00 0.00 179.25 179.59 1wqa h ARG 314 N 0.72 1.15 -0.39 0.00 9.65 -0.47 -1.34 114.38 123.69 1wqa h ARG 314 Ca 0.21 -0.19 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 1wqa h ARG 314 Cb -0.05 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 1wqa h ARG 314 CO -0.06 0.91 -0.14 0.00 2.80 0.00 0.00 179.97 183.48 1wqa h ALA 315 N 1.18 0.54 -0.55 2.80 0.00 -0.60 -0.04 119.26 122.58 1wqa h ALA 315 Ca 0.26 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1wqa h ALA 315 Cb 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1wqa h ALA 315 CO -0.03 0.45 0.30 -0.07 0.00 0.00 0.00 179.25 179.91 1wqa h LEU 316 N 0.59 0.46 0.14 0.00 3.38 -0.60 -0.99 115.31 118.30 1wqa h LEU 316 Ca 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1wqa h LEU 316 Cb 0.68 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1wqa h LEU 316 CO 0.05 0.32 -0.07 0.22 0.09 0.00 0.00 178.44 179.05 1wqa h TYR 317 N 0.59 -0.17 0.00 1.13 3.20 -1.07 0.12 116.97 120.77 1wqa h TYR 317 Ca 0.24 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1wqa h TYR 317 Cb 0.10 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1wqa h TYR 317 CO -0.08 0.10 -0.11 0.93 -1.64 0.00 0.00 178.16 177.36 1wqa h GLU 318 N -0.44 0.00 -0.25 1.82 4.39 -0.86 -3.08 114.58 116.17 1wqa h GLU 318 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wqa h GLU 318 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1wqa h GLU 318 CO 0.03 0.11 0.00 0.09 -1.16 0.00 0.00 179.01 178.08 1wqa n ASN 319 N -3.69 2.78 -3.96 1.42 3.02 -0.39 -4.98 115.26 109.45 1wqa n ASN 319 Ca -0.02 -2.12 -0.27 0.00 -0.03 0.00 0.00 54.58 52.14 1wqa n ASN 319 Cb 0.23 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1wqa n ASN 319 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wqa n ASN 320 N 0.13 -1.16 -4.68 6.41 5.15 -0.40 -4.90 115.26 115.82 1wqa n ASN 320 Ca 0.10 -0.97 -0.30 0.00 -0.60 0.00 0.00 54.58 52.81 1wqa n ASN 320 Cb 0.43 -3.18 0.16 0.00 -0.53 0.00 0.00 39.78 36.66 1wqa n ASN 320 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1wqa s GLY 321 N -4.14 1.64 -0.18 8.20 0.00 0.28 -4.87 107.32 108.25 1wqa s GLY 321 Ca 0.16 0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.92 1wqa s GLY 321 CO 0.88 0.67 0.23 2.41 0.00 0.00 0.00 173.10 177.30 1wqa n THR 322 N -4.09 1.63 -3.74 0.90 -1.04 0.59 -4.85 114.28 103.69 1wqa n THR 322 Ca 0.08 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 1wqa n THR 322 Cb 0.54 -1.90 -0.09 0.00 -1.82 0.00 0.00 70.33 67.06 1wqa n THR 322 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1wqa s ILE 323 N -2.45 0.05 0.11 12.58 1.10 -1.12 -4.43 121.20 127.04 1wqa s ILE 323 Ca -0.27 -0.40 -0.01 0.00 -0.51 0.00 0.00 60.65 59.46 1wqa s ILE 323 Cb 0.07 -0.63 -0.04 0.00 0.15 0.00 0.00 42.46 42.00 1wqa s ILE 323 CO 0.66 -0.22 0.04 -0.83 -2.11 0.00 0.00 174.94 172.48 1wqa s GLY 324 N -1.18 0.82 -0.03 1.50 0.00 -0.93 -1.31 107.32 106.20 1wqa s GLY 324 Ca -0.12 -1.37 -0.16 0.00 0.00 0.00 0.00 44.72 43.07 1wqa s GLY 324 CO 0.04 -1.33 0.71 0.61 0.00 0.00 0.00 173.10 173.14 1wqa n GLY 325 N -0.04 0.34 1.71 0.20 0.00 -0.61 -1.02 105.19 105.76 1wqa n GLY 325 Ca -0.08 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1wqa n GLY 325 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wqa n GLU 326 N -0.51 0.31 -0.28 1.61 0.28 0.69 -4.05 120.64 118.68 1wqa n GLU 326 Ca 0.03 -1.55 -0.03 0.00 -0.16 0.00 0.00 57.16 55.45 1wqa n GLU 326 Cb 0.31 1.40 0.03 0.00 1.43 0.00 0.00 31.44 34.61 1wqa n GLU 326 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1wqa h GLU 327 N 0.00 -0.08 -0.40 3.44 3.07 -1.94 0.13 114.58 118.80 1wqa h GLU 327 Ca -0.13 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1wqa h GLU 327 Cb 0.62 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1wqa h GLU 327 CO 0.19 -0.06 0.00 0.27 -1.40 0.00 0.00 179.01 178.01 1wqa n ASN 328 N -5.46 1.75 0.00 1.42 0.23 -1.26 -3.30 115.26 108.64 1wqa n ASN 328 Ca 0.07 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 1wqa n ASN 328 Cb 0.38 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1wqa n ASN 328 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wqa n GLY 329 N 0.79 1.00 3.65 4.83 0.00 0.45 -4.04 105.19 111.86 1wqa n GLY 329 Ca 0.09 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 1wqa n GLY 329 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wqa n GLY 330 N 0.00 -1.27 3.76 -0.02 0.00 -1.26 -0.22 105.19 106.17 1wqa n GLY 330 Ca 0.00 0.56 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 1wqa n GLY 330 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wqa s VAL 331 N -3.03 3.82 -0.18 1.61 1.01 -1.26 -3.98 120.40 118.40 1wqa s VAL 331 Ca 0.03 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1wqa s VAL 331 Cb -0.02 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1wqa s VAL 331 CO 0.87 0.33 -0.19 -0.63 0.00 0.00 0.00 175.10 175.48 1wqa s ILE 332 N -1.30 2.20 -0.52 2.22 1.01 -0.19 -2.85 121.20 121.78 1wqa s ILE 332 Ca 0.46 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1wqa s ILE 332 Cb -0.27 -1.92 0.13 0.00 0.01 0.00 0.00 42.46 40.41 1wqa s ILE 332 CO 0.34 0.53 0.43 -0.36 0.00 0.00 0.00 174.94 175.88 1wqa s PHE 333 N 1.21 3.38 0.38 3.97 0.40 -1.26 -2.18 117.98 123.88 1wqa s PHE 333 Ca 0.03 -1.69 0.18 0.00 -0.60 0.00 0.00 56.93 54.84 1wqa s PHE 333 Cb -0.14 -3.62 1.10 0.00 0.51 0.00 0.00 43.02 40.88 1wqa s PHE 333 CO -0.10 -1.00 1.73 -1.35 0.70 0.00 0.00 175.22 175.21 1wqa h PRO 334 N 8.54 0.37 0.00 0.24 0.11 -1.77 0.36 132.00 139.84 1wqa h PRO 334 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1wqa h PRO 334 Cb 1.08 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1wqa h PRO 334 CO 0.92 0.25 0.00 0.93 -0.21 0.00 0.00 178.00 179.88 1wqa h GLU 335 N 0.38 0.00 0.00 1.05 4.39 -1.93 -3.37 114.58 115.09 1wqa h GLU 335 Ca 0.65 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.35 1wqa h GLU 335 Cb 1.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 1wqa h GLU 335 CO -0.37 0.00 0.00 1.58 -1.16 0.00 0.00 179.01 179.06 1wqa n HIS 336 N -2.44 0.00 -3.69 4.33 -0.00 0.02 -5.06 115.22 108.39 1wqa n HIS 336 Ca 0.04 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.10 1wqa n HIS 336 Cb 0.39 -0.11 -0.09 0.00 -0.12 0.00 0.00 29.99 30.06 1wqa n HIS 336 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1wqa s VAL 337 N -1.00 -0.00 -1.36 3.57 -7.23 -0.65 -4.93 120.40 108.80 1wqa s VAL 337 Ca 0.00 0.02 -0.11 0.00 -1.81 0.00 0.00 61.98 60.08 1wqa s VAL 337 Cb 0.00 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 1wqa s VAL 337 CO 0.00 0.01 2.54 0.18 -0.31 0.00 0.00 175.10 177.52 1wqa n LEU 338 N 3.24 7.13 -3.54 1.32 4.77 -1.26 -4.06 117.00 124.59 1wqa n LEU 338 Ca -0.16 -3.86 -0.09 0.00 -0.03 0.00 0.00 56.01 51.87 1wqa n LEU 338 Cb 0.56 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 1wqa n LEU 338 CO 0.08 1.35 0.75 -0.83 -1.33 0.00 0.00 177.39 177.40 1wqa s GLY 339 N 2.89 -0.38 0.19 -0.72 0.00 -1.26 -4.36 107.32 103.68 1wqa s GLY 339 Ca 0.57 1.44 -0.32 0.00 0.00 0.00 0.00 44.72 46.41 1wqa s GLY 339 CO -0.04 0.61 1.66 -1.60 0.00 0.00 0.00 173.10 173.72 1wqa s ARG 340 N -2.31 4.16 -0.33 2.90 3.52 -1.26 -4.51 118.95 121.12 1wqa s ARG 340 Ca 0.03 2.50 -0.01 0.00 -0.13 0.00 0.00 55.73 58.12 1wqa s ARG 340 Cb -0.01 -3.11 0.12 0.00 -1.56 0.00 0.00 34.95 30.39 1wqa s ARG 340 CO -0.05 -0.69 0.17 0.34 -0.81 0.00 0.00 175.30 174.26 1wqa s ASP 341 N 1.17 3.36 0.42 -2.12 -1.08 -1.13 -4.64 116.67 112.64 1wqa s ASP 341 Ca 0.73 -1.85 0.14 0.00 -0.52 0.00 0.00 52.55 51.04 1wqa s ASP 341 Cb -0.47 -0.50 1.00 0.00 -1.46 0.00 0.00 42.92 41.49 1wqa s ASP 341 CO 0.32 -0.36 1.94 1.23 0.52 0.00 0.00 175.17 178.81 1wqa h GLY 342 N 7.60 0.73 1.19 2.66 0.00 -0.65 -1.61 103.07 112.99 1wqa h GLY 342 Ca -0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1wqa h GLY 342 CO 0.37 0.09 0.23 0.00 0.00 0.00 0.00 176.54 177.23 1wqa h ALA 343 N 1.65 1.13 -0.33 3.60 0.00 -1.84 0.36 119.26 123.83 1wqa h ALA 343 Ca 0.34 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1wqa h ALA 343 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wqa h ALA 343 CO -0.11 0.61 -0.37 1.98 0.00 0.00 0.00 179.25 181.35 1wqa h MET 344 N 0.99 0.77 -0.33 0.00 -1.53 -1.73 -1.29 114.93 111.81 1wqa h MET 344 Ca 0.22 -0.39 -0.01 0.00 -3.44 0.00 0.00 59.70 56.08 1wqa h MET 344 Cb 0.25 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.29 1wqa h MET 344 CO -0.01 1.02 0.15 1.15 0.14 0.00 0.00 176.91 179.36 1wqa h THR 345 N 0.64 1.17 -0.66 -0.77 2.02 -0.98 -1.36 112.91 112.97 1wqa h THR 345 Ca 0.06 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1wqa h THR 345 Cb 0.92 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1wqa h THR 345 CO 0.08 0.17 0.38 0.58 0.37 0.00 0.00 175.52 177.11 1wqa h VAL 346 N 0.39 1.20 -0.61 3.16 2.07 -0.74 -0.60 116.25 121.11 1wqa h VAL 346 Ca 0.11 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1wqa h VAL 346 Cb 0.13 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1wqa h VAL 346 CO -0.01 0.21 0.38 0.00 0.02 0.00 0.00 177.57 178.17 1wqa h ALA 347 N 1.19 0.79 -0.46 1.67 0.00 -0.93 0.25 119.26 121.78 1wqa h ALA 347 Ca 0.23 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1wqa h ALA 347 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wqa h ALA 347 CO -0.04 0.14 -0.16 -0.22 0.00 0.00 0.00 179.25 178.97 1wqa h LYS 348 N 0.76 0.87 -0.46 0.00 1.63 -0.86 -1.19 116.57 117.32 1wqa h LYS 348 Ca 0.24 -0.33 -0.14 0.00 -0.85 0.00 0.00 60.65 59.57 1wqa h LYS 348 Cb -0.00 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1wqa h LYS 348 CO -0.09 0.97 -0.26 0.28 -3.45 0.00 0.00 179.45 176.90 1wqa h VAL 349 N 0.77 1.27 -0.81 2.00 2.07 -0.72 -0.76 116.25 120.07 1wqa h VAL 349 Ca 0.12 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1wqa h VAL 349 Cb 0.69 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1wqa h VAL 349 CO 0.05 0.49 0.51 0.58 0.02 0.00 0.00 177.57 179.22 1wqa h VAL 350 N 0.84 1.22 -0.27 2.57 2.07 -0.17 0.33 116.25 122.84 1wqa h VAL 350 Ca 0.10 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1wqa h VAL 350 Cb 0.85 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1wqa h VAL 350 CO 0.08 0.22 0.06 -0.08 0.02 0.00 0.00 177.57 177.86 1wqa h GLU 351 N 1.10 0.44 -0.51 1.57 4.81 -0.99 -0.61 114.58 120.39 1wqa h GLU 351 Ca 0.29 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1wqa h GLU 351 Cb -0.08 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1wqa h GLU 351 CO -0.06 0.54 0.33 0.82 -0.73 0.00 0.00 179.01 179.91 1wqa h ILE 352 N 0.26 1.11 -0.08 2.32 2.04 -0.81 -1.58 117.51 120.78 1wqa h ILE 352 Ca 0.08 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1wqa h ILE 352 Cb 0.30 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1wqa h ILE 352 CO 0.00 0.12 0.05 0.15 0.00 0.00 0.00 178.15 178.48 1wqa h PHE 353 N 0.67 0.10 0.00 1.37 3.57 -0.81 -1.15 116.94 120.69 1wqa h PHE 353 Ca 0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1wqa h PHE 353 Cb -0.05 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1wqa h PHE 353 CO -0.05 0.08 -0.01 0.00 -2.23 0.00 0.00 178.31 176.10 1wqa h ALA 354 N 1.02 1.72 0.00 2.41 0.00 -0.76 -2.58 119.26 121.06 1wqa h ALA 354 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wqa h ALA 354 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wqa h ALA 354 CO -0.01 0.01 -1.07 1.63 0.00 0.00 0.00 179.25 179.81 1wqa n LYS 355 N -4.14 0.33 0.09 0.00 5.02 -0.62 -4.40 118.16 114.43 1wqa n LYS 355 Ca -0.03 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 1wqa n LYS 355 Cb 0.09 -1.61 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 1wqa n LYS 355 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1wqa h SER 356 N 0.00 0.38 -0.43 4.39 4.64 -0.80 -3.47 113.55 118.26 1wqa h SER 356 Ca 0.00 -0.35 -0.19 0.00 -0.47 0.00 0.00 61.79 60.78 1wqa h SER 356 Cb 0.76 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.66 1wqa h SER 356 CO 0.00 1.20 -0.17 0.61 -0.87 0.00 0.00 176.83 177.60 1wqa n GLY 357 N 1.17 1.08 3.75 -0.77 0.00 -1.23 -5.00 105.19 104.19 1wqa n GLY 357 Ca -0.06 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1wqa n GLY 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wqa s LYS 358 N -2.76 2.19 0.19 1.61 1.02 -1.26 -5.14 119.74 115.59 1wqa s LYS 358 Ca 0.00 -2.40 -0.10 0.00 0.02 0.00 0.00 55.97 53.50 1wqa s LYS 358 Cb 0.00 -1.49 -0.07 0.00 -0.52 0.00 0.00 37.83 35.75 1wqa s LYS 358 CO 0.00 -0.37 0.51 0.15 -0.92 0.00 0.00 175.35 174.72 1wqa s LYS 359 N -3.87 3.80 0.23 1.68 1.02 -1.26 -4.97 119.74 116.36 1wqa s LYS 359 Ca 0.06 0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.22 1wqa s LYS 359 Cb 0.02 -2.75 0.38 0.00 -0.52 0.00 0.00 37.83 34.96 1wqa s LYS 359 CO 0.03 0.38 1.70 0.35 -0.92 0.00 0.00 175.35 176.90 1wqa h PHE 360 N 2.83 0.29 -0.88 3.18 3.57 -1.98 0.30 116.94 124.25 1wqa h PHE 360 Ca -0.47 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.16 1wqa h PHE 360 Cb 1.17 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 1wqa h PHE 360 CO 0.62 -0.03 0.57 0.66 -2.23 0.00 0.00 178.31 177.90 1wqa h SER 361 N 0.30 0.80 -0.33 0.41 4.64 -1.94 -2.31 113.55 115.12 1wqa h SER 361 Ca 0.37 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 1wqa h SER 361 Cb 0.58 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1wqa h SER 361 CO -0.44 0.48 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.66 1wqa h GLU 362 N 0.89 0.59 -1.00 4.77 5.08 -1.34 0.64 114.58 124.19 1wqa h GLU 362 Ca 0.40 -0.19 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 1wqa h GLU 362 Cb 0.37 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 1wqa h GLU 362 CO -0.17 0.72 0.64 -0.07 -1.00 0.00 0.00 179.01 179.13 1wqa h LEU 363 N 0.39 0.94 0.01 1.33 3.38 -0.89 0.22 115.31 120.70 1wqa h LEU 363 Ca 0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wqa h LEU 363 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wqa h LEU 363 CO 0.02 0.51 -0.01 0.40 0.09 0.00 0.00 178.44 179.45 1wqa h ILE 364 N 1.02 1.52 0.00 1.22 1.08 -1.13 -3.32 117.51 117.90 1wqa h ILE 364 Ca 0.49 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.23 1wqa h ILE 364 Cb 0.46 2.67 -0.00 0.00 -3.07 0.00 0.00 36.82 36.87 1wqa h ILE 364 CO -0.25 0.44 -0.06 0.44 -0.69 0.00 0.00 178.15 178.02 1wqa h ASP 365 N -0.77 0.00 0.79 1.72 3.32 -0.62 -2.27 116.42 118.59 1wqa h ASP 365 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wqa h ASP 365 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1wqa h ASP 365 CO 0.00 0.06 0.00 -0.62 -1.72 0.00 0.00 179.24 176.97 1wqa n GLU 366 N -3.43 0.02 -2.68 3.56 1.02 0.05 -4.80 120.64 114.37 1wqa n GLU 366 Ca -0.02 0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.86 1wqa n GLU 366 Cb 0.20 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.07 1wqa n GLU 366 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wqa s LEU 367 N -2.97 4.08 0.07 -4.62 1.43 -0.86 -4.95 118.68 110.86 1wqa s LEU 367 Ca 0.12 1.87 -0.37 0.00 -1.03 0.00 0.00 54.13 54.72 1wqa s LEU 367 Cb 0.15 -4.31 -0.18 0.00 0.03 0.00 0.00 46.19 41.89 1wqa s LEU 367 CO 0.43 -0.41 1.24 -2.65 0.23 0.00 0.00 176.35 175.19 1wqa n PRO 368 N -0.25 0.82 -3.05 1.29 -0.02 -1.26 -4.90 135.00 127.64 1wqa n PRO 368 Ca 0.06 0.29 -0.39 0.00 -2.02 0.00 0.00 63.50 61.44 1wqa n PRO 368 Cb 0.51 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 1wqa n PRO 368 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1wqa s LYS 369 N 0.25 4.48 0.03 -0.52 2.36 -1.26 -4.93 119.74 120.14 1wqa s LYS 369 Ca 0.85 1.04 -0.04 0.00 -2.55 0.00 0.00 55.97 55.28 1wqa s LYS 369 Cb -1.03 -3.28 -0.02 0.00 -1.05 0.00 0.00 37.83 32.45 1wqa s LYS 369 CO 0.50 0.52 0.05 0.71 1.55 0.00 0.00 175.35 178.68 1wqa s TYR 370 N -0.89 0.24 -0.02 4.03 2.02 -1.26 -4.68 117.35 116.78 1wqa s TYR 370 Ca 0.35 -0.53 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 1wqa s TYR 370 Cb -0.22 -0.18 -0.01 0.00 -0.40 0.00 0.00 41.96 41.16 1wqa s TYR 370 CO 0.24 -0.30 -0.18 0.71 -1.57 0.00 0.00 175.55 174.44 1wqa s TYR 371 N -2.26 1.68 0.04 2.71 1.51 0.22 -4.95 117.35 116.30 1wqa s TYR 371 Ca -0.08 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1wqa s TYR 371 Cb -0.04 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1wqa s TYR 371 CO -0.03 -0.07 -0.05 1.14 -1.11 0.00 0.00 175.55 175.42 1wqa s GLN 372 N -0.28 0.50 0.06 -0.62 0.00 -1.26 -0.39 119.66 117.68 1wqa s GLN 372 Ca 0.04 -0.84 0.03 0.00 -0.00 0.00 0.00 55.36 54.59 1wqa s GLN 372 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 33.01 32.81 1wqa s GLN 372 CO 0.00 -0.01 -0.10 0.42 0.00 0.00 0.00 175.29 175.60 1wqa s ILE 373 N -2.00 0.78 0.08 3.63 1.01 -0.55 -4.98 121.20 119.16 1wqa s ILE 373 Ca -0.07 -1.26 0.04 0.00 0.00 0.00 0.00 60.65 59.36 1wqa s ILE 373 Cb -0.06 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1wqa s ILE 373 CO -0.02 -0.38 -0.12 -0.54 0.00 0.00 0.00 174.94 173.88 1wqa s LYS 374 N -1.89 0.78 0.01 2.79 1.02 -1.26 -1.44 119.74 119.75 1wqa s LYS 374 Ca -0.04 -1.00 -0.20 0.00 0.02 0.00 0.00 55.97 54.75 1wqa s LYS 374 Cb -0.08 -0.63 0.04 0.00 -0.52 0.00 0.00 37.83 36.63 1wqa s LYS 374 CO 0.01 0.12 0.44 0.99 -0.92 0.00 0.00 175.35 175.99 1wqa s THR 375 N -1.72 0.04 -0.04 2.17 2.01 -0.35 -4.99 115.64 112.76 1wqa s THR 375 Ca -0.00 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1wqa s THR 375 Cb -0.07 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1wqa s THR 375 CO 0.01 -0.20 -0.03 -1.59 -0.69 0.00 0.00 174.62 172.12 1wqa s LYS 376 N -1.91 0.73 -0.07 4.92 -2.85 -1.26 0.26 119.74 119.55 1wqa s LYS 376 Ca -0.09 -0.06 0.04 0.00 -1.00 0.00 0.00 55.97 54.87 1wqa s LYS 376 Cb -0.02 -0.80 -0.00 0.00 -2.06 0.00 0.00 37.83 34.95 1wqa s LYS 376 CO 0.02 -0.11 -0.20 1.03 0.10 0.00 0.00 175.35 176.19 1wqa s ARG 377 N 1.03 2.37 0.02 1.78 1.81 -1.26 -4.98 118.95 119.72 1wqa s ARG 377 Ca -0.09 -0.73 -0.30 0.00 -1.72 0.00 0.00 55.73 52.89 1wqa s ARG 377 Cb -0.14 -1.91 -0.06 0.00 -0.45 0.00 0.00 34.95 32.39 1wqa s ARG 377 CO -0.01 0.20 1.44 -1.58 -0.68 0.00 0.00 175.30 174.68 1wqa s HIS 378 N 0.23 2.81 -0.02 -0.53 5.65 -1.26 -2.09 115.29 120.08 1wqa s HIS 378 Ca -0.11 0.75 0.00 0.00 0.25 0.00 0.00 55.06 55.95 1wqa s HIS 378 Cb -0.15 -3.71 0.02 0.00 -1.18 0.00 0.00 32.58 27.56 1wqa s HIS 378 CO 0.05 -2.66 0.01 0.08 -0.65 0.00 0.00 174.74 171.57 1wqa s VAL 379 N 2.35 0.04 0.51 0.89 1.01 0.10 -4.96 120.40 120.34 1wqa s VAL 379 Ca 0.65 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1wqa s VAL 379 Cb -0.33 -0.13 0.04 0.00 0.00 0.00 0.00 36.38 35.95 1wqa s VAL 379 CO 0.28 0.09 0.30 -1.84 0.00 0.00 0.00 175.10 173.92 1wqa n GLU 380 N 3.88 0.75 0.00 2.72 0.28 -1.26 -4.21 120.64 122.79 1wqa n GLU 380 Ca -0.24 -3.30 0.00 0.00 -0.16 0.00 0.00 57.16 53.46 1wqa n GLU 380 Cb 0.53 0.48 0.00 0.00 1.43 0.00 0.00 31.44 33.88 1wqa n GLU 380 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wqa n GLY 381 N -1.12 0.26 2.15 -1.84 0.00 -1.26 -3.81 105.19 99.56 1wqa n GLY 381 Ca -0.06 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1wqa n GLY 381 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wqa n ASP 382 N 1.46 6.75 -0.49 1.61 -0.08 -1.26 -4.69 116.55 119.85 1wqa n ASP 382 Ca 0.00 -2.51 0.40 0.00 -1.51 0.00 0.00 54.79 51.17 1wqa n ASP 382 Cb 0.00 -1.46 0.64 0.00 2.34 0.00 0.00 41.12 42.64 1wqa n ASP 382 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1wqa n ARG 383 N 3.01 -0.02 0.03 -0.67 0.63 -1.25 0.70 116.66 119.09 1wqa n ARG 383 Ca 0.59 1.05 -0.19 0.00 -0.92 0.00 0.00 57.85 58.37 1wqa n ARG 383 Cb 0.59 -2.18 -0.10 0.00 0.45 0.00 0.00 32.46 31.22 1wqa n ARG 383 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wqa h HIS 384 N 0.00 0.92 0.00 -0.14 3.86 -1.94 -3.15 115.15 114.71 1wqa h HIS 384 Ca 0.79 -0.49 -0.03 0.00 -1.16 0.00 0.00 60.37 59.48 1wqa h HIS 384 Cb 2.80 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 31.16 1wqa h HIS 384 CO -0.00 1.33 -0.13 0.00 0.86 0.00 0.00 177.93 179.98 1wqa h ALA 385 N 0.39 1.46 -0.56 2.45 0.00 -0.12 -1.76 119.26 121.12 1wqa h ALA 385 Ca -0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1wqa h ALA 385 Cb 1.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wqa h ALA 385 CO 0.18 0.17 0.21 0.82 0.00 0.00 0.00 179.25 180.62 1wqa h ILE 386 N 0.00 1.23 -0.26 0.00 1.08 -1.38 -1.98 117.51 116.20 1wqa h ILE 386 Ca -0.00 -0.73 -0.08 0.00 -0.39 0.00 0.00 64.86 63.66 1wqa h ILE 386 Cb 0.30 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1wqa h ILE 386 CO 0.02 0.28 -0.19 0.58 -0.69 0.00 0.00 178.15 178.14 1wqa h VAL 387 N 0.77 1.25 -0.50 1.67 2.07 -1.33 -2.47 116.25 117.71 1wqa h VAL 387 Ca 0.18 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 1wqa h VAL 387 Cb 0.23 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wqa h VAL 387 CO -0.01 0.36 0.08 0.78 0.02 0.00 0.00 177.57 178.80 1wqa h ASN 388 N 0.42 0.74 -0.38 0.57 2.35 -1.04 -2.38 115.58 115.85 1wqa h ASN 388 Ca 0.07 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1wqa h ASN 388 Cb 0.58 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1wqa h ASN 388 CO 0.04 0.76 -0.10 0.11 -1.65 0.00 0.00 177.43 176.59 1wqa h LYS 389 N 0.75 0.73 -0.67 0.81 1.57 -0.98 -2.17 116.57 116.62 1wqa h LYS 389 Ca 0.16 -0.28 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1wqa h LYS 389 Cb 0.34 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1wqa h LYS 389 CO 0.00 0.88 0.44 0.28 -0.57 0.00 0.00 179.45 180.48 1wqa h VAL 390 N 0.53 0.98 -0.05 0.50 2.07 -1.09 -1.16 116.25 118.03 1wqa h VAL 390 Ca 0.09 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1wqa h VAL 390 Cb 0.61 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1wqa h VAL 390 CO 0.04 0.12 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 1wqa h ALA 391 N 1.64 0.07 0.18 1.67 0.00 -1.13 -1.46 119.26 120.23 1wqa h ALA 391 Ca 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wqa h ALA 391 Cb 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1wqa h ALA 391 CO -0.10 -0.21 -0.41 0.93 0.00 0.00 0.00 179.25 179.47 1wqa h GLU 392 N -0.27 -0.65 -0.02 0.00 5.08 -0.70 0.15 114.58 118.17 1wqa h GLU 392 Ca 0.01 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1wqa h GLU 392 Cb 0.42 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1wqa h GLU 392 CO 0.01 -0.44 -0.39 0.52 -1.00 0.00 0.00 179.01 177.71 1wqa h MET 393 N -0.68 -0.51 -0.69 2.33 2.86 -1.29 0.26 114.93 117.22 1wqa h MET 393 Ca 0.01 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.83 1wqa h MET 393 Cb 0.68 0.12 -0.12 0.00 0.06 0.00 0.00 31.60 32.34 1wqa h MET 393 CO -0.20 -0.34 -0.01 0.00 1.06 0.00 0.00 176.91 177.42 1wqa h ALA 394 N 0.09 0.68 -0.20 6.32 0.00 -0.96 0.26 119.26 125.45 1wqa h ALA 394 Ca 0.06 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1wqa h ALA 394 Cb 0.62 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1wqa h ALA 394 CO -0.32 -0.41 0.10 0.00 0.00 0.00 0.00 179.25 178.63 1wqa h ARG 395 N 0.10 0.28 -0.57 0.00 3.08 -0.09 0.78 114.38 117.97 1wqa h ARG 395 Ca 0.36 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.48 1wqa h ARG 395 Cb 0.61 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1wqa h ARG 395 CO -0.60 0.29 0.39 0.93 -1.07 0.00 0.00 179.97 179.91 1wqa h GLU 396 N 0.20 0.33 -0.22 0.04 4.39 0.22 0.60 114.58 120.13 1wqa h GLU 396 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1wqa h GLU 396 Cb 0.10 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1wqa h GLU 396 CO -0.01 0.22 0.00 0.54 -1.16 0.00 0.00 179.01 178.60 1wqa n ARG 397 N -4.46 1.52 -0.52 2.33 1.74 0.64 -4.88 116.66 113.02 1wqa n ARG 397 Ca 0.09 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 1wqa n ARG 397 Cb 0.40 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1wqa n ARG 397 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wqa n GLY 398 N 0.87 0.74 3.80 -0.13 0.00 0.20 -5.06 105.19 105.62 1wqa n GLY 398 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1wqa n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wqa s TYR 399 N -2.25 3.68 -0.35 1.61 4.12 0.23 -4.99 117.35 119.39 1wqa s TYR 399 Ca 0.00 1.50 -0.25 0.00 0.02 0.00 0.00 57.07 58.34 1wqa s TYR 399 Cb 0.00 -2.70 0.01 0.00 -1.52 0.00 0.00 41.96 37.75 1wqa s TYR 399 CO 0.00 0.32 0.89 0.99 0.02 0.00 0.00 175.55 177.77 1wqa s THR 400 N -1.52 4.64 -0.10 -0.71 2.01 -1.26 -4.01 115.64 114.68 1wqa s THR 400 Ca 0.44 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.65 1wqa s THR 400 Cb -0.18 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 1wqa s THR 400 CO 0.22 -0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.85 1wqa s VAL 401 N 3.33 2.96 -0.29 3.82 1.01 -1.26 -0.38 120.40 129.59 1wqa s VAL 401 Ca 0.37 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1wqa s VAL 401 Cb -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1wqa s VAL 401 CO 0.17 0.55 0.08 -0.62 0.00 0.00 0.00 175.10 175.28 1wqa s ASP 402 N -0.01 5.15 -0.42 3.32 -1.08 0.04 -4.93 116.67 118.73 1wqa s ASP 402 Ca -0.04 -0.65 0.05 0.00 -0.52 0.00 0.00 52.55 51.38 1wqa s ASP 402 Cb -0.14 -1.89 0.63 0.00 -1.46 0.00 0.00 42.92 40.05 1wqa s ASP 402 CO 0.04 -0.18 1.82 0.35 0.52 0.00 0.00 175.17 177.73 1wqa n THR 403 N 4.88 3.08 -0.25 1.71 -2.24 -1.26 -1.44 114.28 118.76 1wqa n THR 403 Ca -0.15 -2.14 -0.02 0.00 -2.27 0.00 0.00 64.05 59.47 1wqa n THR 403 Cb 0.48 -0.46 0.09 0.00 -2.10 0.00 0.00 70.33 68.34 1wqa n THR 403 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1wqa h THR 404 N 1.01 1.06 -1.60 4.28 2.02 -1.96 -3.37 112.91 114.34 1wqa h THR 404 Ca 0.55 -0.29 -0.31 0.00 0.77 0.00 0.00 66.41 67.13 1wqa h THR 404 Cb 2.56 0.15 -0.26 0.00 -1.74 0.00 0.00 68.15 68.86 1wqa h THR 404 CO 0.97 0.15 -0.66 -0.62 0.37 0.00 0.00 175.52 175.73 1wqa s ASP 405 N -5.71 -0.03 0.00 4.18 -1.08 -1.26 -4.74 116.67 108.02 1wqa s ASP 405 Ca -0.13 -1.92 0.00 0.00 -0.52 0.00 0.00 52.55 49.99 1wqa s ASP 405 Cb 0.16 0.96 0.00 0.00 -1.46 0.00 0.00 42.92 42.58 1wqa s ASP 405 CO 0.77 -0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.92 1wqa n GLY 406 N 3.45 -1.82 3.21 2.66 0.00 -1.26 -4.79 105.19 106.63 1wqa n GLY 406 Ca 0.18 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 1wqa n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqa s ALA 407 N -1.79 3.14 -0.41 4.61 0.00 -0.37 -4.03 121.76 122.90 1wqa s ALA 407 Ca 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 51.96 49.74 1wqa s ALA 407 Cb 0.00 -2.41 0.10 0.00 0.00 0.00 0.00 23.12 20.81 1wqa s ALA 407 CO 0.00 -1.59 0.23 0.21 0.00 0.00 0.00 175.76 174.61 1wqa s LYS 408 N 1.30 2.34 -0.31 0.00 2.20 -0.52 -0.62 119.74 124.13 1wqa s LYS 408 Ca 0.03 -1.63 -0.29 0.00 -0.36 0.00 0.00 55.97 53.71 1wqa s LYS 408 Cb -0.22 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1wqa s LYS 408 CO -0.00 -1.01 1.28 0.42 -0.36 0.00 0.00 175.35 175.68 1wqa s ILE 409 N 1.29 4.16 -0.21 5.43 1.01 0.15 -0.78 121.20 132.25 1wqa s ILE 409 Ca 0.05 1.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.83 1wqa s ILE 409 Cb -0.23 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1wqa s ILE 409 CO -0.01 -0.51 0.43 -0.63 0.00 0.00 0.00 174.94 174.21 1wqa s ILE 410 N 4.38 5.17 0.51 2.92 -1.09 0.49 -1.25 121.20 132.33 1wqa s ILE 410 Ca 0.55 0.75 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 1wqa s ILE 410 Cb -0.16 -3.75 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1wqa s ILE 410 CO 0.23 0.22 0.14 -0.36 -1.23 0.00 0.00 174.94 173.95 1wqa s PHE 411 N 1.47 1.89 -0.04 3.97 0.40 0.17 -4.42 117.98 121.42 1wqa s PHE 411 Ca 0.20 -0.87 -0.21 0.00 -0.60 0.00 0.00 56.93 55.44 1wqa s PHE 411 Cb -0.15 -1.74 -0.31 0.00 0.51 0.00 0.00 43.02 41.32 1wqa s PHE 411 CO 0.08 0.02 0.92 1.05 0.70 0.00 0.00 175.22 177.99 1wqa h GLU 412 N 1.19 0.32 0.00 0.44 4.11 -2.01 -3.33 114.58 115.30 1wqa h GLU 412 Ca -0.42 -0.53 -0.17 0.00 0.07 0.00 0.00 59.36 58.31 1wqa h GLU 412 Cb 1.30 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1wqa h GLU 412 CO 0.69 1.25 -0.80 0.22 0.07 0.00 0.00 179.01 180.43 1wqa h ASP 413 N -0.33 0.00 0.00 3.06 1.82 -1.97 -3.49 116.42 115.51 1wqa h ASP 413 Ca -0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1wqa h ASP 413 Cb 1.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.66 1wqa h ASP 413 CO 0.16 0.80 0.00 0.61 -1.61 0.00 0.00 179.24 179.20 1wqa n GLY 414 N 0.79 1.77 3.77 -0.78 0.00 -1.25 -3.70 105.19 105.79 1wqa n GLY 414 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1wqa n GLY 414 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1wqa s TRP 415 N 0.41 -0.04 -0.02 1.61 1.48 -0.29 -0.66 118.94 121.43 1wqa s TRP 415 Ca 0.00 -0.23 0.00 0.00 -1.06 0.00 0.00 56.10 54.81 1wqa s TRP 415 Cb 0.00 0.63 0.03 0.00 -1.16 0.00 0.00 33.47 32.96 1wqa s TRP 415 CO 0.00 -0.66 0.03 0.08 -4.06 0.00 0.00 176.95 172.33 1wqa s VAL 416 N -2.64 -0.02 -0.13 -0.66 1.01 -0.38 -1.64 120.40 115.94 1wqa s VAL 416 Ca 0.17 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1wqa s VAL 416 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.26 1wqa s VAL 416 CO 0.01 0.10 -0.18 -0.22 0.00 0.00 0.00 175.10 174.81 1wqa s LEU 417 N 1.10 2.39 -0.37 3.92 2.96 0.23 0.32 118.68 129.22 1wqa s LEU 417 Ca -0.09 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1wqa s LEU 417 Cb -0.13 -1.52 0.11 0.00 0.50 0.00 0.00 46.19 45.15 1wqa s LEU 417 CO -0.03 0.13 0.09 -0.69 -1.32 0.00 0.00 176.35 174.54 1wqa s VAL 418 N 0.53 2.39 -0.02 1.68 1.01 0.20 -0.79 120.40 125.41 1wqa s VAL 418 Ca -0.11 -2.48 0.07 0.00 0.00 0.00 0.00 61.98 59.45 1wqa s VAL 418 Cb -0.16 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1wqa s VAL 418 CO 0.04 -0.64 -0.23 -0.60 0.00 0.00 0.00 175.10 173.68 1wqa s ARG 419 N 0.73 1.87 -0.16 2.72 3.52 -1.00 -1.24 118.95 125.38 1wqa s ARG 419 Ca 0.12 -0.81 -0.18 0.00 -0.13 0.00 0.00 55.73 54.73 1wqa s ARG 419 Cb -0.20 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 1wqa s ARG 419 CO -0.07 0.48 0.47 0.00 -0.81 0.00 0.00 175.30 175.38 1wqa s ALA 420 N -0.51 3.52 0.51 6.12 0.00 -1.26 -2.11 121.76 128.02 1wqa s ALA 420 Ca 0.08 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.49 1wqa s ALA 420 Cb -0.09 -2.70 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 1wqa s ALA 420 CO -0.01 -0.21 1.08 0.45 0.00 0.00 0.00 175.76 177.07 1wqa n SER 421 N 4.22 1.47 -0.47 0.00 2.88 -0.39 -4.88 113.62 116.45 1wqa n SER 421 Ca -0.07 0.95 0.14 0.00 -1.33 0.00 0.00 58.87 58.56 1wqa n SER 421 Cb 0.51 -1.42 0.51 0.00 -0.75 0.00 0.00 64.21 63.06 1wqa n SER 421 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wqa n GLY 422 N 1.11 -0.04 1.32 0.46 0.00 -1.26 -4.57 105.19 102.20 1wqa n GLY 422 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1wqa n GLY 422 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wqa n THR 423 N 0.12 0.77 -3.14 2.61 -1.04 -1.26 -5.09 114.28 107.25 1wqa n THR 423 Ca 0.18 0.25 -0.33 0.00 -2.04 0.00 0.00 64.05 62.11 1wqa n THR 423 Cb 0.36 -1.20 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 1wqa n THR 423 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1wqa s GLU 424 N -1.87 4.06 -0.33 -2.82 8.01 -1.26 -4.94 118.70 119.56 1wqa s GLU 424 Ca 0.00 0.71 -0.03 0.00 0.01 0.00 0.00 54.97 55.66 1wqa s GLU 424 Cb 0.00 -2.56 -0.06 0.00 -4.31 0.00 0.00 34.13 27.20 1wqa s GLU 424 CO 0.00 0.23 1.68 -2.30 0.01 0.00 0.00 175.26 174.88 1wqa n PRO 425 N -0.06 1.07 -4.38 0.39 -0.02 -1.26 -4.37 135.00 126.36 1wqa n PRO 425 Ca 0.02 -0.78 -0.20 0.00 -2.02 0.00 0.00 63.50 60.52 1wqa n PRO 425 Cb 0.53 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 1wqa n PRO 425 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wqa s ILE 426 N 3.20 1.97 -0.38 4.25 1.01 -1.26 0.02 121.20 130.02 1wqa s ILE 426 Ca 0.25 -2.26 0.11 0.00 0.00 0.00 0.00 60.65 58.75 1wqa s ILE 426 Cb 0.09 -2.12 0.33 0.00 0.01 0.00 0.00 42.46 40.77 1wqa s ILE 426 CO -0.01 -0.53 0.70 0.00 0.00 0.00 0.00 174.94 175.10 1wqa n ILE 427 N -0.43 -0.26 -1.16 2.92 3.06 -0.89 -1.26 119.36 121.34 1wqa n ILE 427 Ca -0.07 -4.43 -0.37 0.00 -2.50 0.00 0.00 62.75 55.38 1wqa n ILE 427 Cb 0.60 -0.54 0.02 0.00 0.54 0.00 0.00 39.64 40.26 1wqa n ILE 427 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1wqa n ARG 428 N 0.49 0.00 -3.85 9.51 1.74 -0.90 -4.41 116.66 119.24 1wqa n ARG 428 Ca 0.24 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 57.04 1wqa n ARG 428 Cb 0.64 -0.97 -0.16 0.00 -1.02 0.00 0.00 32.46 30.94 1wqa n ARG 428 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wqa s ILE 429 N -1.94 0.99 0.00 0.55 1.01 0.14 -2.39 121.20 119.56 1wqa s ILE 429 Ca 0.51 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1wqa s ILE 429 Cb -0.41 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1wqa s ILE 429 CO 0.68 0.02 -0.14 -0.36 0.00 0.00 0.00 174.94 175.15 1wqa s PHE 430 N 1.67 2.69 0.03 3.97 0.40 0.03 -1.21 117.98 125.57 1wqa s PHE 430 Ca -0.00 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1wqa s PHE 430 Cb -0.16 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 1wqa s PHE 430 CO -0.07 0.27 0.04 -1.54 0.70 0.00 0.00 175.22 174.62 1wqa s SER 431 N -1.22 0.21 -0.08 1.36 1.04 -0.52 0.76 113.70 115.25 1wqa s SER 431 Ca 0.14 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1wqa s SER 431 Cb -0.11 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1wqa s SER 431 CO 0.05 -0.43 0.36 -0.70 0.98 0.00 0.00 173.24 173.49 1wqa s GLU 432 N -2.18 0.57 0.38 4.02 2.12 -0.65 -1.48 118.70 121.48 1wqa s GLU 432 Ca -0.09 0.17 -0.13 0.00 0.36 0.00 0.00 54.97 55.28 1wqa s GLU 432 Cb -0.04 0.26 0.05 0.00 0.26 0.00 0.00 34.13 34.66 1wqa s GLU 432 CO -0.03 -0.13 0.73 0.00 -0.54 0.00 0.00 175.26 175.30 1wqa s ALA 433 N -0.58 -0.48 -2.23 6.30 0.00 0.48 -1.13 121.76 124.12 1wqa s ALA 433 Ca -0.07 -0.88 0.19 0.00 0.00 0.00 0.00 51.96 51.19 1wqa s ALA 433 Cb -0.04 0.76 0.61 0.00 0.00 0.00 0.00 23.12 24.45 1wqa s ALA 433 CO 0.03 -0.95 1.46 1.63 0.00 0.00 0.00 175.76 177.93 1wqa n LYS 434 N -0.54 1.87 -3.73 0.00 5.02 -1.24 0.72 118.16 120.27 1wqa n LYS 434 Ca -0.07 -1.32 -0.14 0.00 -2.02 0.00 0.00 58.31 54.76 1wqa n LYS 434 Cb 0.60 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 34.14 1wqa n LYS 434 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wqa s SER 435 N -1.41 -0.27 0.37 4.39 1.04 -1.26 -4.78 113.70 111.79 1wqa s SER 435 Ca 0.31 0.23 0.06 0.00 0.48 0.00 0.00 55.95 57.03 1wqa s SER 435 Cb 0.17 0.38 0.75 0.00 0.10 0.00 0.00 66.02 67.43 1wqa s SER 435 CO 0.25 -0.45 2.00 0.11 0.98 0.00 0.00 173.24 176.13 1wqa h LYS 436 N 3.86 0.70 0.83 4.02 1.57 -1.92 -2.06 116.57 123.57 1wqa h LYS 436 Ca -0.29 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1wqa h LYS 436 Cb 1.17 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.33 1wqa h LYS 436 CO 0.39 0.46 -0.40 0.93 -0.57 0.00 0.00 179.45 180.26 1wqa h GLU 437 N 0.72 -1.07 -0.91 3.15 3.07 -1.99 -0.79 114.58 116.77 1wqa h GLU 437 Ca 0.25 0.07 0.06 0.00 -0.50 0.00 0.00 59.36 59.24 1wqa h GLU 437 Cb 0.10 0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 1wqa h GLU 437 CO -0.07 -0.71 0.58 0.87 -1.40 0.00 0.00 179.01 178.28 1wqa h LYS 438 N -1.13 1.04 -0.48 2.33 1.79 -1.95 0.87 116.57 119.03 1wqa h LYS 438 Ca -0.11 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1wqa h LYS 438 Cb 0.85 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 1wqa h LYS 438 CO 0.19 0.69 0.26 0.00 -1.08 0.00 0.00 179.45 179.50 1wqa h ALA 439 N 1.41 0.62 -0.07 3.86 0.00 -1.24 0.27 119.26 124.11 1wqa h ALA 439 Ca 0.39 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1wqa h ALA 439 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wqa h ALA 439 CO -0.16 -0.08 0.03 0.37 0.00 0.00 0.00 179.25 179.42 1wqa h GLN 440 N 0.51 0.09 0.00 0.00 5.75 -0.26 0.22 115.11 121.43 1wqa h GLN 440 Ca 0.21 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.72 1wqa h GLN 440 Cb 0.09 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 1wqa h GLN 440 CO -0.13 0.18 -0.27 0.93 -2.65 0.00 0.00 178.83 176.90 1wqa h GLU 441 N -0.02 -0.40 -0.76 1.69 5.08 -0.29 0.13 114.58 120.02 1wqa h GLU 441 Ca 0.02 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1wqa h GLU 441 Cb 0.12 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1wqa h GLU 441 CO -0.00 -0.26 0.47 1.88 -1.00 0.00 0.00 179.01 180.09 1wqa h TYR 442 N -0.41 0.87 0.12 4.33 0.99 -0.40 0.27 116.97 122.73 1wqa h TYR 442 Ca 0.06 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1wqa h TYR 442 Cb 0.49 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 1wqa h TYR 442 CO -0.30 0.47 -0.11 1.25 -0.00 0.00 0.00 178.16 179.46 1wqa h LEU 443 N 0.89 -0.30 -1.06 3.88 6.46 -0.22 -1.84 115.31 123.12 1wqa h LEU 443 Ca 0.32 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1wqa h LEU 443 Cb 0.10 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 1wqa h LEU 443 CO -0.14 -0.18 0.63 0.78 -0.62 0.00 0.00 178.44 178.91 1wqa h ASN 444 N -0.25 1.10 -0.86 1.25 2.35 -0.23 -1.10 115.58 117.84 1wqa h ASN 444 Ca 0.00 -0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.83 1wqa h ASN 444 Cb 0.24 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.26 1wqa h ASN 444 CO -0.03 0.80 0.49 0.25 -1.65 0.00 0.00 177.43 177.30 1wqa h LEU 445 N 1.30 0.69 -0.07 1.61 7.12 0.12 0.23 115.31 126.31 1wqa h LEU 445 Ca 0.35 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.40 1wqa h LEU 445 Cb -0.15 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 39.91 1wqa h LEU 445 CO -0.08 0.37 -0.01 1.23 -0.13 0.00 0.00 178.44 179.83 1wqa h GLY 446 N 0.79 0.14 0.59 3.75 0.00 -0.44 -2.40 103.07 105.51 1wqa h GLY 446 Ca 0.43 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1wqa h GLY 446 CO -0.27 0.10 0.30 -2.22 0.00 0.00 0.00 176.54 174.45 1wqa h ILE 447 N -0.19 0.90 0.18 2.60 2.04 -0.62 -0.75 117.51 121.66 1wqa h ILE 447 Ca 0.02 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1wqa h ILE 447 Cb 0.39 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1wqa h ILE 447 CO 0.01 0.10 -0.43 -0.08 0.00 0.00 0.00 178.15 177.74 1wqa h GLU 448 N 0.55 -0.68 -0.27 2.37 4.81 -0.46 -0.73 114.58 120.16 1wqa h GLU 448 Ca 0.29 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1wqa h GLU 448 Cb 0.25 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1wqa h GLU 448 CO -0.22 -0.46 0.13 -0.07 -0.73 0.00 0.00 179.01 177.66 1wqa h LEU 449 N -0.71 0.33 0.30 1.64 3.38 -1.17 -2.19 115.31 116.88 1wqa h LEU 449 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wqa h LEU 449 Cb 0.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wqa h LEU 449 CO -0.21 0.29 -0.14 0.25 0.09 0.00 0.00 178.44 178.71 1wqa h LEU 450 N 0.38 -0.34 -0.66 1.67 6.46 -0.44 -2.25 115.31 120.13 1wqa h LEU 450 Ca 0.10 -0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1wqa h LEU 450 Cb 0.05 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1wqa h LEU 450 CO -0.01 -0.05 0.42 -0.33 -0.62 0.00 0.00 178.44 177.84 1wqa h GLU 451 N -0.64 0.81 0.00 1.25 5.08 -0.94 -0.57 114.58 119.58 1wqa h GLU 451 Ca -0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1wqa h GLU 451 Cb 0.45 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1wqa h GLU 451 CO 0.07 0.54 0.00 1.57 -1.00 0.00 0.00 179.01 180.19 1wqa h LYS 452 N 0.84 0.00 0.00 2.33 2.10 -1.41 -0.11 116.57 120.32 1wqa h LYS 452 Ca 0.26 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.87 1wqa h LYS 452 Cb -0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1wqa h LYS 452 CO -0.09 0.00 -0.51 0.00 -2.00 0.00 0.00 179.45 176.86 1wqa h ALA 453 N 2.01 0.77 -0.50 0.07 0.00 -0.52 -3.11 119.26 117.97 1wqa h ALA 453 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wqa h ALA 453 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wqa h ALA 453 CO 0.00 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.75 1wqa n LEU 454 N -3.00 2.82 0.00 0.00 4.32 -0.10 -5.01 117.00 116.04 1wqa n LEU 454 Ca 0.01 -1.39 0.00 0.00 -0.02 0.00 0.00 56.01 54.61 1wqa n LEU 454 Cb 0.61 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1wqa n LEU 454 CO 0.38 0.69 0.00 -1.54 -1.22 0.00 0.00 177.39 175.70