#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whw s LEU 15 N 0.00 4.37 -0.33 7.52 2.96 -1.19 -4.78 118.68 127.23 2whw s LEU 15 Ca 0.00 2.72 -0.11 0.00 -0.22 0.00 0.00 54.13 56.52 2whw s LEU 15 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 2whw s LEU 15 CO 0.00 -0.91 0.20 -0.62 -1.32 0.00 0.00 176.35 173.70 2whw s ASP 16 N 1.42 5.80 0.12 3.68 3.68 -1.26 -1.19 116.67 128.92 2whw s ASP 16 Ca 0.73 -0.49 0.10 0.00 2.13 0.00 0.00 52.55 55.02 2whw s ASP 16 Cb -0.46 -2.07 -0.16 0.00 -1.45 0.00 0.00 42.92 38.78 2whw s ASP 16 CO 0.32 -0.22 1.18 -0.07 0.13 0.00 0.00 175.17 176.51 2whw h LEU 17 N 8.42 0.00 -0.65 -1.34 3.38 -1.59 -3.20 115.31 120.33 2whw h LEU 17 Ca -0.31 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2whw h LEU 17 Cb 1.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2whw h LEU 17 CO 0.63 0.89 0.36 1.23 0.09 0.00 0.00 178.44 181.63 2whw h GLY 18 N 3.21 0.95 1.65 0.83 0.00 -1.76 -3.08 103.07 104.87 2whw h GLY 18 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2whw h GLY 18 CO 0.11 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.81 2whw n ALA 19 N -2.35 1.52 0.13 3.60 0.00 -1.21 -1.21 120.51 121.00 2whw n ALA 19 Ca 0.08 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2whw n ALA 19 Cb 0.16 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 2whw n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2whw n LEU 20 N -1.32 0.77 0.00 0.00 4.32 -1.16 -5.06 117.00 114.54 2whw n LEU 20 Ca 0.03 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 2whw n LEU 20 Cb 0.07 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2whw n LEU 20 CO 0.06 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.68 2whw n GLY 21 N 1.20 -0.55 0.04 -0.72 0.00 -0.35 -3.92 105.19 100.89 2whw n GLY 21 Ca -0.00 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 45.01 2whw n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2whw n GLN 22 N 0.00 0.07 -0.30 1.61 -0.06 -1.26 -2.63 117.38 114.80 2whw n GLN 22 Ca 0.00 0.21 -0.05 0.00 -2.00 0.00 0.00 57.00 55.16 2whw n GLN 22 Cb 0.00 -1.60 0.07 0.00 -4.06 0.00 0.00 30.24 24.65 2whw n GLN 22 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2whw h ASP 23 N 0.00 1.04 -0.07 1.69 3.32 -1.97 0.97 116.42 121.40 2whw h ASP 23 Ca 0.00 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 2whw h ASP 23 Cb 0.40 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2whw h ASP 23 CO 0.00 0.84 -0.13 0.15 -1.72 0.00 0.00 179.24 178.39 2whw h PHE 24 N 1.15 0.26 -0.84 4.55 3.57 -1.68 0.43 116.94 124.38 2whw h PHE 24 Ca 0.29 -0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.83 2whw h PHE 24 Cb 0.04 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 2whw h PHE 24 CO 0.01 0.72 0.44 0.00 -2.23 0.00 0.00 178.31 177.25 2whw h ALA 25 N 0.49 1.25 -0.13 2.41 0.00 -1.54 -0.48 119.26 121.26 2whw h ALA 25 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2whw h ALA 25 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2whw h ALA 25 CO 0.03 -0.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.94 2whw h ALA 26 N 1.53 0.21 -2.26 0.00 0.00 -0.70 -3.42 119.26 114.64 2whw h ALA 26 Ca 0.45 -0.41 -0.58 0.00 0.00 0.00 0.00 54.91 54.37 2whw h ALA 26 Cb 0.59 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.97 2whw h ALA 26 CO -0.34 0.23 -1.00 -3.47 0.00 0.00 0.00 179.25 174.68 2whw n ASP 27 N -4.41 -0.42 0.11 0.00 2.03 0.15 -4.96 116.55 109.05 2whw n ASP 27 Ca -0.07 -2.44 0.12 0.00 0.52 0.00 0.00 54.79 52.92 2whw n ASP 27 Cb 0.47 -0.52 0.20 0.00 -0.72 0.00 0.00 41.12 40.54 2whw n ASP 27 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2whw h PRO 28 N 5.29 0.00 -0.35 -0.67 0.13 -1.30 -3.38 132.00 131.72 2whw h PRO 28 Ca 0.23 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.43 2whw h PRO 28 Cb 0.91 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.96 2whw h PRO 28 CO 0.38 0.00 -0.21 1.88 -0.23 0.00 0.00 178.00 179.82 2whw h TYR 29 N 0.00 -0.53 -0.54 1.56 -1.99 -1.93 -2.15 116.97 111.39 2whw h TYR 29 Ca 0.00 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.85 2whw h TYR 29 Cb 0.84 0.29 -0.03 0.00 2.00 0.00 0.00 36.73 39.83 2whw h TYR 29 CO 0.00 -0.29 0.36 -1.35 -0.00 0.00 0.00 178.16 176.88 2whw h PRO 30 N -0.16 0.42 0.03 4.88 0.11 -1.99 0.18 132.00 135.47 2whw h PRO 30 Ca 0.18 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 2whw h PRO 30 Cb 0.43 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2whw h PRO 30 CO -0.45 0.28 -0.01 1.15 -0.21 0.00 0.00 178.00 178.76 2whw h THR 31 N 0.43 1.06 -0.37 -1.15 2.02 -1.67 -1.94 112.91 111.29 2whw h THR 31 Ca 0.24 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 2whw h THR 31 Cb 0.38 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2whw h THR 31 CO -0.06 0.07 -0.17 1.88 0.37 0.00 0.00 175.52 177.61 2whw h TYR 32 N -0.15 0.76 -0.35 3.16 0.99 -0.79 -2.13 116.97 118.46 2whw h TYR 32 Ca -0.00 -0.15 -0.13 0.00 2.00 0.00 0.00 58.73 60.45 2whw h TYR 32 Cb 0.14 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 2whw h TYR 32 CO -0.04 0.81 -0.30 0.00 -0.00 0.00 0.00 178.16 178.64 2whw h ALA 33 N 1.20 0.82 -0.15 3.88 0.00 -0.63 -1.20 119.26 123.19 2whw h ALA 33 Ca 0.10 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2whw h ALA 33 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2whw h ALA 33 CO 0.04 0.64 0.07 -0.09 0.00 0.00 0.00 179.25 179.91 2whw h ARG 34 N 0.63 0.15 -0.58 0.00 1.12 -1.14 -1.55 114.38 113.02 2whw h ARG 34 Ca 0.07 -0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.04 2whw h ARG 34 Cb 0.82 -0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.67 2whw h ARG 34 CO 0.07 0.10 0.13 -0.07 -3.11 0.00 0.00 179.97 177.09 2whw h LEU 35 N 0.15 0.03 -1.28 3.80 3.38 -1.28 -2.68 115.31 117.44 2whw h LEU 35 Ca 0.06 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2whw h LEU 35 Cb 0.02 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2whw h LEU 35 CO -0.05 0.03 -0.02 -0.09 0.09 0.00 0.00 178.44 178.40 2whw h ARG 36 N 0.27 0.47 -0.55 1.13 2.43 -0.85 -0.23 114.38 117.04 2whw h ARG 36 Ca 0.30 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 2whw h ARG 36 Cb 0.43 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2whw h ARG 36 CO -0.37 0.51 0.37 0.00 -1.51 0.00 0.00 179.97 178.96 2whw h ALA 37 N 1.54 1.80 0.00 2.80 0.00 -0.95 -2.84 119.26 121.61 2whw h ALA 37 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2whw h ALA 37 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2whw h ALA 37 CO 0.01 0.13 -0.26 0.93 0.00 0.00 0.00 179.25 180.05 2whw h GLU 38 N 0.57 0.00 0.00 0.00 5.08 -0.93 -3.50 114.58 115.80 2whw h GLU 38 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2whw h GLU 38 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2whw h GLU 38 CO -0.06 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 178.62 2whw n GLY 39 N 1.16 1.56 0.08 -3.84 0.00 -0.83 -5.01 105.19 98.30 2whw n GLY 39 Ca 0.03 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 2whw n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2whw h PRO 40 N 0.00 0.04 -4.10 1.61 0.13 -1.84 -3.37 132.00 124.47 2whw h PRO 40 Ca 0.00 -0.05 -0.44 0.00 -0.87 0.00 0.00 66.00 64.64 2whw h PRO 40 Cb 0.00 0.02 -0.34 0.00 0.13 0.00 0.00 31.00 30.80 2whw h PRO 40 CO 0.00 0.93 -0.78 0.00 -0.23 0.00 0.00 178.00 177.92 2whw s ALA 41 N -2.94 0.83 -0.00 -0.56 0.00 -1.26 -0.77 121.76 117.06 2whw s ALA 41 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2whw s ALA 41 Cb 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2whw s ALA 41 CO 0.81 -0.06 -0.01 -1.01 0.00 0.00 0.00 175.76 175.49 2whw s HIS 42 N 1.03 0.13 -0.15 0.00 3.76 -0.14 -4.97 115.29 114.95 2whw s HIS 42 Ca -0.09 -0.02 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 2whw s HIS 42 Cb -0.14 -0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.44 2whw s HIS 42 CO -0.00 -0.01 0.96 0.50 -0.85 0.00 0.00 174.74 175.33 2whw s ARG 43 N 0.07 4.35 0.22 1.40 3.52 -1.26 -0.74 118.95 126.50 2whw s ARG 43 Ca -0.00 1.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.86 2whw s ARG 43 Cb -0.02 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2whw s ARG 43 CO -0.00 -0.38 0.14 0.14 -0.81 0.00 0.00 175.30 174.39 2whw s VAL 44 N 2.29 0.04 -0.12 7.11 -7.23 0.19 -3.17 120.40 119.51 2whw s VAL 44 Ca 0.44 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2whw s VAL 44 Cb -0.17 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2whw s VAL 44 CO 0.14 0.00 -0.21 -0.60 -0.31 0.00 0.00 175.10 174.12 2whw s ARG 45 N -4.07 3.11 0.65 4.82 3.52 -0.33 -0.82 118.95 125.82 2whw s ARG 45 Ca 0.39 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 55.05 2whw s ARG 45 Cb 0.07 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 31.00 2whw s ARG 45 CO 0.14 0.10 1.04 0.95 -0.81 0.00 0.00 175.30 176.72 2whw s THR 46 N 0.55 4.46 0.66 4.11 -4.23 0.24 -1.58 115.64 119.85 2whw s THR 46 Ca -0.12 0.80 0.22 0.00 -1.18 0.00 0.00 61.69 61.41 2whw s THR 46 Cb -0.17 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.20 2whw s THR 46 CO 0.04 -1.04 1.67 -0.65 -0.54 0.00 0.00 174.62 174.11 2whw h PRO 47 N -0.45 0.00 -0.02 3.99 0.11 -1.89 0.91 132.00 134.64 2whw h PRO 47 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2whw h PRO 47 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2whw h PRO 47 CO 0.60 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.76 2whw n GLU 48 N -2.79 2.03 -0.20 1.05 4.71 -1.26 -4.67 120.64 119.51 2whw n GLU 48 Ca -0.01 -1.54 0.00 0.00 -0.01 0.00 0.00 57.16 55.60 2whw n GLU 48 Cb 0.55 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.51 2whw n GLU 48 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2whw n GLY 49 N 1.29 0.78 3.73 0.62 0.00 0.31 -5.07 105.19 106.86 2whw n GLY 49 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2whw n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2whw s ASN 50 N -2.38 7.39 -0.19 1.61 0.02 -1.26 -4.73 114.94 115.40 2whw s ASN 50 Ca 0.00 1.66 -0.26 0.00 -1.02 0.00 0.00 52.86 53.24 2whw s ASN 50 Cb 0.00 -2.54 -0.01 0.00 0.02 0.00 0.00 41.25 38.72 2whw s ASN 50 CO 0.00 -0.05 0.88 -1.61 0.02 0.00 0.00 177.10 176.34 2whw s GLU 51 N 0.05 4.27 0.14 -0.60 0.41 -1.26 -0.59 118.70 121.13 2whw s GLU 51 Ca 0.44 1.09 -0.05 0.00 -0.41 0.00 0.00 54.97 56.04 2whw s GLU 51 Cb -0.22 -3.60 -0.02 0.00 -1.78 0.00 0.00 34.13 28.50 2whw s GLU 51 CO 0.27 -0.42 0.16 0.14 -0.49 0.00 0.00 175.26 174.91 2whw s VAL 52 N 2.48 0.09 -0.15 2.63 -7.23 0.00 -4.70 120.40 113.52 2whw s VAL 52 Ca 0.39 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 2whw s VAL 52 Cb -0.16 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2whw s VAL 52 CO 0.11 -0.42 0.13 0.26 -0.31 0.00 0.00 175.10 174.86 2whw s TRP 53 N -4.00 3.52 -0.17 2.82 0.52 0.04 -0.64 118.94 121.03 2whw s TRP 53 Ca 0.20 0.45 -0.09 0.00 0.02 0.00 0.00 56.10 56.67 2whw s TRP 53 Cb 0.06 -2.02 -0.05 0.00 -1.15 0.00 0.00 33.47 30.31 2whw s TRP 53 CO -0.00 0.57 0.13 -0.51 0.02 0.00 0.00 176.95 177.15 2whw s LEU 54 N -0.51 4.23 -0.25 2.99 1.43 0.08 -0.10 118.68 126.55 2whw s LEU 54 Ca 0.12 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 2whw s LEU 54 Cb -0.12 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2whw s LEU 54 CO 0.02 0.27 0.11 -0.69 0.23 0.00 0.00 176.35 176.28 2whw s VAL 55 N -0.17 4.71 0.35 -1.59 1.01 -0.57 -0.97 120.40 123.19 2whw s VAL 55 Ca 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.12 2whw s VAL 55 Cb -0.11 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 2whw s VAL 55 CO 0.00 0.33 -0.04 0.68 0.00 0.00 0.00 175.10 176.07 2whw s VAL 56 N 1.45 2.00 0.00 2.92 -7.23 0.05 -1.11 120.40 118.48 2whw s VAL 56 Ca 0.06 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 2whw s VAL 56 Cb -0.15 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2whw s VAL 56 CO 0.05 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 2whw n GLY 57 N -0.81 -1.08 0.27 2.32 0.00 -1.26 -4.43 105.19 100.20 2whw n GLY 57 Ca -0.05 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2whw n GLY 57 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2whw h TYR 58 N 0.00 -0.64 -0.42 1.61 3.20 -1.81 -0.35 116.97 118.56 2whw h TYR 58 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2whw h TYR 58 Cb 0.00 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2whw h TYR 58 CO 0.00 -0.33 0.16 -0.44 -1.64 0.00 0.00 178.16 175.91 2whw h ASP 59 N -0.41 0.59 -0.37 -2.11 3.32 -1.93 -0.46 116.42 115.05 2whw h ASP 59 Ca 0.04 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 2whw h ASP 59 Cb 0.46 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2whw h ASP 59 CO -0.17 0.61 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.77 2whw h ARG 60 N 0.54 0.71 -0.20 3.56 9.65 -1.81 -2.35 114.38 124.48 2whw h ARG 60 Ca 0.14 -0.28 0.06 0.00 -1.10 0.00 0.00 59.98 58.80 2whw h ARG 60 Cb 0.21 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.69 2whw h ARG 60 CO -0.01 0.87 -0.22 0.00 2.80 0.00 0.00 179.97 183.40 2whw h ALA 61 N 0.82 -0.13 -0.78 2.80 0.00 -0.86 0.37 119.26 121.49 2whw h ALA 61 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2whw h ALA 61 Cb 0.61 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2whw h ALA 61 CO 0.04 -0.66 0.51 -0.09 0.00 0.00 0.00 179.25 179.04 2whw h ARG 62 N -0.25 0.99 -0.28 0.00 2.43 -1.03 -1.88 114.38 114.36 2whw h ARG 62 Ca 0.12 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2whw h ARG 62 Cb 0.44 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2whw h ARG 62 CO -0.34 0.66 -0.09 0.00 -1.51 0.00 0.00 179.97 178.69 2whw h ALA 63 N 1.30 0.39 -0.70 2.80 0.00 -0.99 -3.13 119.26 118.94 2whw h ALA 63 Ca 0.29 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2whw h ALA 63 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2whw h ALA 63 CO -0.08 0.23 0.18 0.28 0.00 0.00 0.00 179.25 179.86 2whw h VAL 64 N 0.32 1.26 -1.00 0.00 2.07 -0.73 -1.39 116.25 116.77 2whw h VAL 64 Ca 0.07 -0.95 0.22 0.00 0.82 0.00 0.00 66.70 66.86 2whw h VAL 64 Cb 0.58 0.54 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 2whw h VAL 64 CO 0.03 0.37 0.61 -0.07 0.02 0.00 0.00 177.57 178.53 2whw h LEU 65 N 1.05 0.70 -0.32 2.57 3.38 -1.32 -2.42 115.31 118.93 2whw h LEU 65 Ca 0.22 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2whw h LEU 65 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2whw h LEU 65 CO 0.00 0.19 -0.70 0.00 0.09 0.00 0.00 178.44 178.02 2whw n ALA 66 N -2.35 4.08 -2.46 1.53 0.00 -1.01 -4.73 120.51 115.58 2whw n ALA 66 Ca 0.25 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 2whw n ALA 66 Cb 0.67 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 2whw n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2whw s ASP 67 N -2.81 6.73 0.00 0.00 -1.08 -0.56 -4.87 116.67 114.08 2whw s ASP 67 Ca 0.13 1.18 0.07 0.00 -0.52 0.00 0.00 52.55 53.41 2whw s ASP 67 Cb 0.17 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.40 2whw s ASP 67 CO 0.73 -1.04 1.16 -0.81 0.52 0.00 0.00 175.17 175.73 2whw n PRO 68 N 7.22 0.04 0.11 4.34 -0.04 -1.26 -1.33 135.00 144.09 2whw n PRO 68 Ca 0.14 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2whw n PRO 68 Cb 0.47 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.90 2whw n PRO 68 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2whw n ARG 69 N -1.41 0.17 -3.85 0.54 1.74 -1.26 -4.27 116.66 108.31 2whw n ARG 69 Ca 0.02 0.40 -0.35 0.00 -0.77 0.00 0.00 57.85 57.16 2whw n ARG 69 Cb 0.07 -1.83 -0.13 0.00 -1.02 0.00 0.00 32.46 29.55 2whw n ARG 69 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2whw s PHE 70 N -3.28 3.57 0.58 -1.55 0.40 -0.44 -1.69 117.98 115.58 2whw s PHE 70 Ca 0.05 -2.46 -0.17 0.00 -0.60 0.00 0.00 56.93 53.75 2whw s PHE 70 Cb 0.09 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 2whw s PHE 70 CO 0.38 -0.94 1.09 0.45 0.70 0.00 0.00 175.22 176.89 2whw s SER 71 N 1.52 5.67 0.00 1.36 0.15 -0.52 -4.73 113.70 117.16 2whw s SER 71 Ca 0.07 1.97 0.15 0.00 0.70 0.00 0.00 55.95 58.83 2whw s SER 71 Cb -0.21 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.70 2whw s SER 71 CO -0.05 -1.24 1.02 0.29 1.20 0.00 0.00 173.24 174.47 2whw n LYS 72 N -1.79 1.32 -2.93 5.44 5.02 -1.26 -0.22 118.16 123.74 2whw n LYS 72 Ca 0.10 -1.51 -0.41 0.00 -2.02 0.00 0.00 58.31 54.47 2whw n LYS 72 Cb 0.52 -1.29 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 2whw n LYS 72 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2whw s ASP 73 N -1.20 6.87 0.43 4.39 -1.08 -1.26 -3.98 116.67 120.85 2whw s ASP 73 Ca 0.19 1.07 0.30 0.00 -0.52 0.00 0.00 52.55 53.59 2whw s ASP 73 Cb 0.13 -2.43 1.45 0.00 -1.46 0.00 0.00 42.92 40.61 2whw s ASP 73 CO 0.19 -0.42 1.91 -0.50 0.52 0.00 0.00 175.17 176.87 2whw h TRP 74 N 7.48 0.00 0.00 -5.34 4.06 -1.94 0.60 115.95 120.81 2whw h TRP 74 Ca -0.27 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 2whw h TRP 74 Cb 1.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 2whw h TRP 74 CO 0.73 0.00 -0.01 0.00 -3.56 0.00 0.00 178.44 175.60 2whw h ARG 75 N 0.00 0.00 -0.13 0.49 3.08 -1.94 -0.98 114.38 114.89 2whw h ARG 75 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2whw h ARG 75 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2whw h ARG 75 CO 0.00 0.01 0.00 0.09 -1.07 0.00 0.00 179.97 179.00 2whw n ASN 76 N -3.12 2.16 -4.83 7.04 3.02 0.20 -4.91 115.26 114.82 2whw n ASN 76 Ca -0.02 -1.75 -0.37 0.00 -0.03 0.00 0.00 54.58 52.41 2whw n ASN 76 Cb 0.15 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 2whw n ASN 76 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2whw s SER 77 N -1.77 6.87 0.00 6.41 0.15 -0.38 -3.59 113.70 121.40 2whw s SER 77 Ca 0.34 1.05 0.29 0.00 0.70 0.00 0.00 55.95 58.33 2whw s SER 77 Cb 0.20 -2.28 1.21 0.00 -1.71 0.00 0.00 66.02 63.44 2whw s SER 77 CO 0.30 0.27 1.86 0.35 1.20 0.00 0.00 173.24 177.22 2whw n THR 78 N 1.56 0.00 -3.12 6.45 -2.24 -0.69 -4.80 114.28 111.44 2whw n THR 78 Ca -0.11 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 2whw n THR 78 Cb 0.52 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 2whw n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2whw s THR 79 N -2.59 5.02 0.45 4.28 2.01 -1.26 -5.06 115.64 118.49 2whw s THR 79 Ca 0.26 1.18 -0.10 0.00 0.31 0.00 0.00 61.69 63.34 2whw s THR 79 Cb 0.20 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2whw s THR 79 CO 0.50 0.10 0.82 -2.16 -0.69 0.00 0.00 174.62 173.19 2whw s PRO 80 N 1.97 3.71 0.10 4.92 0.05 -1.26 -5.05 135.00 139.44 2whw s PRO 80 Ca 0.28 0.46 -0.19 0.00 0.05 0.00 0.00 61.00 61.60 2whw s PRO 80 Cb -0.16 -2.34 -0.07 0.00 0.05 0.00 0.00 34.50 31.99 2whw s PRO 80 CO 0.10 -0.15 0.60 -0.51 0.05 0.00 0.00 177.00 177.09 2whw s LEU 81 N -4.23 4.50 0.84 -3.56 1.43 -1.26 -5.08 118.68 111.32 2whw s LEU 81 Ca 0.51 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 2whw s LEU 81 Cb -0.10 -3.03 0.10 0.00 0.03 0.00 0.00 46.19 43.19 2whw s LEU 81 CO 0.37 0.23 1.10 0.42 0.23 0.00 0.00 176.35 178.70 2whw s THR 82 N -1.19 2.85 0.27 5.49 -4.23 -1.26 -4.78 115.64 112.80 2whw s THR 82 Ca 0.32 0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 61.06 2whw s THR 82 Cb -0.19 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.26 2whw s THR 82 CO 0.20 -0.36 1.94 -0.08 -0.54 0.00 0.00 174.62 175.77 2whw h GLU 83 N -1.44 1.19 -0.31 3.99 4.81 -1.98 0.21 114.58 121.04 2whw h GLU 83 Ca -0.45 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.62 2whw h GLU 83 Cb 1.25 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2whw h GLU 83 CO 0.50 0.80 -0.10 0.00 -0.73 0.00 0.00 179.01 179.48 2whw h ALA 84 N 1.41 1.25 -0.18 2.92 0.00 -1.92 -2.46 119.26 120.28 2whw h ALA 84 Ca 0.32 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2whw h ALA 84 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2whw h ALA 84 CO -0.07 0.49 -0.49 0.93 0.00 0.00 0.00 179.25 180.12 2whw h GLU 85 N 0.49 0.65 -0.06 0.00 5.08 -1.74 -3.22 114.58 115.78 2whw h GLU 85 Ca 0.09 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2whw h GLU 85 Cb 0.47 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2whw h GLU 85 CO 0.03 1.08 -0.01 0.00 -1.00 0.00 0.00 179.01 179.10 2whw h ALA 86 N 0.57 1.88 0.00 3.43 0.00 -0.80 -1.99 119.26 122.35 2whw h ALA 86 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2whw h ALA 86 Cb 1.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2whw h ALA 86 CO 0.11 0.10 -0.09 0.00 0.00 0.00 0.00 179.25 179.36 2whw h ALA 87 N 1.91 1.14 -0.00 0.00 0.00 -1.45 -3.25 119.26 117.61 2whw h ALA 87 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2whw h ALA 87 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2whw h ALA 87 CO 0.00 0.12 -0.52 1.28 0.00 0.00 0.00 179.25 180.12 2whw n LEU 88 N -3.40 1.01 -0.23 0.00 4.77 -0.77 -4.65 117.00 113.73 2whw n LEU 88 Ca -0.01 -0.60 0.09 0.00 -0.03 0.00 0.00 56.01 55.46 2whw n LEU 88 Cb 0.26 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.81 2whw n LEU 88 CO 0.28 0.22 0.81 -0.46 -1.33 0.00 0.00 177.39 176.91 2whw n ASN 89 N -0.87 0.68 -3.94 -1.43 6.94 -1.07 -4.36 115.26 111.21 2whw n ASN 89 Ca 0.04 -1.56 -0.43 0.00 -0.02 0.00 0.00 54.58 52.61 2whw n ASN 89 Cb 0.25 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 2whw n ASN 89 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2whw n HIS 90 N -0.32 3.40 -4.00 -2.53 8.25 -1.26 -4.66 115.22 114.10 2whw n HIS 90 Ca 0.14 -2.90 -0.09 0.00 -0.26 0.00 0.00 57.72 54.61 2whw n HIS 90 Cb 0.17 -2.14 -0.08 0.00 1.12 0.00 0.00 29.99 29.06 2whw n HIS 90 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2whw s ASN 91 N 1.75 0.13 0.38 0.41 2.20 -1.26 -4.28 114.94 114.27 2whw s ASN 91 Ca 0.42 -0.93 0.15 0.00 -0.94 0.00 0.00 52.86 51.57 2whw s ASN 91 Cb 0.09 0.38 0.76 0.00 -2.00 0.00 0.00 41.25 40.48 2whw s ASN 91 CO -0.01 -0.82 1.81 0.00 -2.94 0.00 0.00 177.10 175.14 2whw h MET 92 N 2.67 0.00 0.00 3.55 -0.00 -1.90 -2.10 114.93 117.14 2whw h MET 92 Ca -0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.32 2whw h MET 92 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 2whw h MET 92 CO 0.53 0.37 -0.26 1.25 -0.00 0.00 0.00 176.91 178.80 2whw h LEU 93 N 0.00 0.00 -3.82 -0.10 5.85 -1.97 -2.92 115.31 112.36 2whw h LEU 93 Ca -0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.19 2whw h LEU 93 Cb 0.72 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.46 2whw h LEU 93 CO 0.05 0.26 0.29 -0.62 -0.34 0.00 0.00 178.44 178.08 2whw n GLU 94 N -3.30 2.63 -4.06 1.25 1.02 -0.80 -4.84 120.64 112.55 2whw n GLU 94 Ca 0.01 -3.41 -0.10 0.00 -0.02 0.00 0.00 57.16 53.65 2whw n GLU 94 Cb 0.51 -2.17 -0.08 0.00 -0.02 0.00 0.00 31.44 29.68 2whw n GLU 94 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2whw s SER 95 N -2.25 0.16 0.37 1.62 1.04 -1.10 -4.00 113.70 109.53 2whw s SER 95 Ca 0.57 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 56.03 2whw s SER 95 Cb 0.46 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.90 2whw s SER 95 CO 0.02 -0.82 0.05 -1.81 0.98 0.00 0.00 173.24 171.66 2whw s ASP 96 N -3.01 4.18 0.48 7.02 -0.00 -1.26 -4.53 116.67 119.54 2whw s ASP 96 Ca 0.21 -1.08 -0.23 0.00 -0.00 0.00 0.00 52.55 51.46 2whw s ASP 96 Cb 0.05 -0.49 -0.08 0.00 -0.00 0.00 0.00 42.92 42.40 2whw s ASP 96 CO 0.02 -0.34 1.17 -2.65 -0.00 0.00 0.00 175.17 173.36 2whw n PRO 97 N -1.02 1.57 0.16 8.23 -0.02 -1.26 -0.42 135.00 142.24 2whw n PRO 97 Ca -0.04 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 2whw n PRO 97 Cb 0.64 -2.30 0.15 0.00 -0.02 0.00 0.00 33.50 31.96 2whw n PRO 97 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2whw h PRO 98 N 1.55 0.00 -0.37 0.52 0.13 -2.01 -3.45 132.00 128.37 2whw h PRO 98 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2whw h PRO 98 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2whw h PRO 98 CO 0.57 0.00 0.00 -0.09 -0.23 0.00 0.00 178.00 178.25 2whw h ARG 99 N 0.00 0.65 -0.71 0.86 2.43 -1.77 -1.93 114.38 113.90 2whw h ARG 99 Ca 0.00 -0.20 0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2whw h ARG 99 Cb 0.95 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 2whw h ARG 99 CO 0.00 0.75 0.30 1.25 -1.51 0.00 0.00 179.97 180.76 2whw h HIS 100 N 0.46 0.52 0.05 2.20 2.76 -1.01 -1.29 115.15 118.85 2whw h HIS 100 Ca 0.10 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2whw h HIS 100 Cb 0.46 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2whw h HIS 100 CO 0.04 0.11 -0.05 1.15 -1.30 0.00 0.00 177.93 177.87 2whw h THR 101 N 0.47 0.88 -0.31 6.26 2.02 -1.64 -1.38 112.91 119.22 2whw h THR 101 Ca 0.38 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.60 2whw h THR 101 Cb 0.51 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2whw h THR 101 CO -0.35 0.00 0.04 -0.09 0.37 0.00 0.00 175.52 175.48 2whw h ARG 102 N -0.12 0.13 -0.31 6.66 2.43 -1.19 -2.32 114.38 119.66 2whw h ARG 102 Ca 0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2whw h ARG 102 Cb 0.12 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2whw h ARG 102 CO -0.02 0.09 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.27 2whw h LEU 103 N 0.14 0.70 -0.89 3.80 3.38 -0.95 -3.14 115.31 118.34 2whw h LEU 103 Ca 0.15 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2whw h LEU 103 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2whw h LEU 103 CO -0.21 0.98 -0.09 -0.09 0.09 0.00 0.00 178.44 179.12 2whw h ARG 104 N 0.42 0.72 -0.79 1.13 2.43 -1.27 -2.64 114.38 114.39 2whw h ARG 104 Ca 0.06 -0.22 0.19 0.00 -0.81 0.00 0.00 59.98 59.20 2whw h ARG 104 Cb 0.74 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 2whw h ARG 104 CO 0.05 0.80 0.54 0.87 -1.51 0.00 0.00 179.97 180.72 2whw h LYS 105 N 0.66 0.26 0.00 0.20 1.57 -1.37 -1.17 116.57 116.73 2whw h LYS 105 Ca 0.12 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2whw h LYS 105 Cb 0.54 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2whw h LYS 105 CO 0.03 0.17 -0.29 -0.07 -0.57 0.00 0.00 179.45 178.73 2whw h LEU 106 N 0.27 0.00 -0.63 2.94 -0.00 -1.50 -3.27 115.31 113.12 2whw h LEU 106 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 2whw h LEU 106 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2whw h LEU 106 CO -0.10 0.29 -0.04 1.33 -0.00 0.00 0.00 178.44 179.92 2whw n VAL 107 N -4.05 0.00 -0.24 1.22 0.24 -0.95 -4.82 118.33 109.73 2whw n VAL 107 Ca -0.02 -0.48 -0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2whw n VAL 107 Cb 0.35 1.02 0.12 0.00 -1.47 0.00 0.00 33.84 33.86 2whw n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2whw h ALA 108 N 0.34 0.95 -0.02 2.33 0.00 -1.28 0.11 119.26 121.69 2whw h ALA 108 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2whw h ALA 108 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2whw h ALA 108 CO 0.00 0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.31 2whw h ARG 109 N 0.68 0.00 0.00 0.00 3.08 -1.87 -1.90 114.38 114.38 2whw h ARG 109 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2whw h ARG 109 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2whw h ARG 109 CO -0.21 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.62 2whw h GLU 110 N 0.00 0.00 0.00 0.04 4.39 -1.12 -3.32 114.58 114.56 2whw h GLU 110 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2whw h GLU 110 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2whw h GLU 110 CO -0.00 0.00 -0.00 1.19 -1.16 0.00 0.00 179.01 179.04 2whw n PHE 111 N -2.43 0.00 -1.28 4.33 3.01 -0.72 -4.51 117.46 115.87 2whw n PHE 111 Ca 0.04 -0.73 -0.30 0.00 1.01 0.00 0.00 57.45 57.47 2whw n PHE 111 Cb 0.38 -0.10 0.11 0.00 -0.01 0.00 0.00 39.48 39.87 2whw n PHE 111 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2whw s THR 112 N -1.87 3.01 0.23 4.37 -4.23 -1.20 -4.61 115.64 111.33 2whw s THR 112 Ca 0.15 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 2whw s THR 112 Cb 0.13 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 71.31 2whw s THR 112 CO 0.01 -0.43 1.82 -0.03 -0.54 0.00 0.00 174.62 175.45 2whw h MET 113 N -1.31 0.76 -0.66 3.99 4.05 -1.95 -1.00 114.93 118.82 2whw h MET 113 Ca -0.47 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 58.82 2whw h MET 113 Cb 1.26 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.86 2whw h MET 113 CO 0.54 0.50 0.07 0.07 0.23 0.00 0.00 176.91 178.33 2whw h ARG 114 N 0.79 1.11 -0.32 0.39 0.11 -1.97 -1.72 114.38 112.76 2whw h ARG 114 Ca 0.36 -0.32 -0.16 0.00 0.10 0.00 0.00 59.98 59.96 2whw h ARG 114 Cb 0.27 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2whw h ARG 114 CO -0.21 1.03 -0.44 -0.09 0.10 0.00 0.00 179.97 180.37 2whw h ARG 115 N 1.03 0.82 -0.12 0.08 9.65 -1.80 -3.15 114.38 120.90 2whw h ARG 115 Ca 0.20 -0.45 -0.12 0.00 -1.10 0.00 0.00 59.98 58.50 2whw h ARG 115 Cb 0.48 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 2whw h ARG 115 CO 0.02 1.09 -0.47 0.28 2.80 0.00 0.00 179.97 183.69 2whw h VAL 116 N 0.66 1.33 0.00 0.20 2.07 -1.04 -2.88 116.25 116.59 2whw h VAL 116 Ca 0.04 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 2whw h VAL 116 Cb 1.01 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2whw h VAL 116 CO 0.10 0.50 -0.06 -0.08 0.02 0.00 0.00 177.57 178.05 2whw h GLU 117 N 0.23 0.00 0.00 1.57 4.57 -1.27 0.29 114.58 119.97 2whw h GLU 117 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2whw h GLU 117 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2whw h GLU 117 CO 0.07 0.06 0.00 -0.07 -1.18 0.00 0.00 179.01 177.90 2whw h LEU 118 N 0.00 0.00 0.00 1.64 3.38 -1.56 -2.10 115.31 116.67 2whw h LEU 118 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2whw h LEU 118 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2whw h LEU 118 CO 0.01 0.00 -0.11 0.18 0.09 0.00 0.00 178.44 178.61 2whw n LEU 119 N -2.70 0.63 -0.22 1.67 4.77 0.10 -4.36 117.00 116.90 2whw n LEU 119 Ca 0.01 0.49 0.01 0.00 -0.03 0.00 0.00 56.01 56.49 2whw n LEU 119 Cb 0.22 -0.33 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 2whw n LEU 119 CO 0.22 -0.12 0.78 -0.09 -1.33 0.00 0.00 177.39 176.85 2whw h ARG 120 N 0.00 0.05 -0.95 3.23 2.43 -1.40 -0.60 114.38 117.14 2whw h ARG 120 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2whw h ARG 120 Cb 0.69 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2whw h ARG 120 CO 0.00 0.03 0.58 -1.35 -1.51 0.00 0.00 179.97 177.72 2whw h PRO 121 N 0.05 1.29 -0.41 0.20 0.11 -1.82 0.16 132.00 131.59 2whw h PRO 121 Ca 0.33 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.26 2whw h PRO 121 Cb 0.53 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2whw h PRO 121 CO -0.61 0.90 0.00 -0.09 -0.21 0.00 0.00 178.00 177.99 2whw h ARG 122 N 1.31 0.72 -0.55 1.05 9.65 -1.59 -1.85 114.38 123.13 2whw h ARG 122 Ca 0.34 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.91 2whw h ARG 122 Cb -0.06 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 2whw h ARG 122 CO -0.06 0.80 0.02 0.28 2.80 0.00 0.00 179.97 183.81 2whw h VAL 123 N 0.55 1.26 -0.77 0.20 2.07 -0.45 0.66 116.25 119.78 2whw h VAL 123 Ca 0.12 -1.09 0.13 0.00 0.82 0.00 0.00 66.70 66.68 2whw h VAL 123 Cb 0.48 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 2whw h VAL 123 CO 0.02 0.39 0.35 -0.61 0.02 0.00 0.00 177.57 177.74 2whw h GLN 124 N 0.85 0.52 -0.35 1.57 5.75 -0.60 -1.37 115.11 121.47 2whw h GLN 124 Ca 0.16 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 2whw h GLN 124 Cb 0.51 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2whw h GLN 124 CO 0.02 0.34 -0.28 1.49 -2.65 0.00 0.00 178.83 177.76 2whw h GLU 125 N 0.53 0.73 -0.08 1.69 4.81 -0.41 0.16 114.58 122.02 2whw h GLU 125 Ca 0.41 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2whw h GLU 125 Cb 0.56 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2whw h GLU 125 CO -0.36 0.93 0.03 0.82 -0.73 0.00 0.00 179.01 179.70 2whw h ILE 126 N 0.63 1.17 -0.15 2.32 2.04 -0.54 -2.33 117.51 120.65 2whw h ILE 126 Ca 0.08 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2whw h ILE 126 Cb 0.79 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2whw h ILE 126 CO 0.07 0.14 0.05 0.58 0.00 0.00 0.00 178.15 178.99 2whw h VAL 127 N -0.06 1.18 -0.69 1.67 2.07 -1.05 -0.47 116.25 118.90 2whw h VAL 127 Ca 0.02 -0.54 0.15 0.00 0.82 0.00 0.00 66.70 67.15 2whw h VAL 127 Cb 0.20 1.26 -0.12 0.00 -1.52 0.00 0.00 31.29 31.11 2whw h VAL 127 CO -0.00 0.16 -0.08 0.44 0.02 0.00 0.00 177.57 178.12 2whw h ASP 128 N 0.06 -0.46 0.17 0.57 3.32 -0.71 0.69 116.42 120.05 2whw h ASP 128 Ca 0.05 0.19 -0.19 0.00 0.02 0.00 0.00 57.03 57.10 2whw h ASP 128 Cb 0.21 0.36 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2whw h ASP 128 CO -0.00 -0.19 -0.71 1.23 -1.72 0.00 0.00 179.24 177.85 2whw h GLY 129 N 0.06 0.53 1.18 2.75 0.00 -1.19 -0.59 103.07 105.81 2whw h GLY 129 Ca 0.36 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 2whw h GLY 129 CO -0.65 0.65 -0.36 1.41 0.00 0.00 0.00 176.54 177.59 2whw h LEU 130 N 0.34 0.96 -0.04 3.11 3.38 -0.31 -2.23 115.31 120.52 2whw h LEU 130 Ca -0.03 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2whw h LEU 130 Cb 1.29 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2whw h LEU 130 CO 0.13 1.21 -0.03 0.58 0.09 0.00 0.00 178.44 180.42 2whw h VAL 131 N 0.74 1.36 -0.86 1.22 2.07 -0.84 -1.34 116.25 118.61 2whw h VAL 131 Ca 0.07 -1.11 0.13 0.00 0.82 0.00 0.00 66.70 66.61 2whw h VAL 131 Cb 0.94 2.02 -0.14 0.00 -1.52 0.00 0.00 31.29 32.59 2whw h VAL 131 CO 0.09 0.30 -0.38 0.44 0.02 0.00 0.00 177.57 178.03 2whw h ASP 132 N -0.35 -1.39 -0.66 0.57 3.32 -1.11 0.37 116.42 117.17 2whw h ASP 132 Ca 0.01 0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 2whw h ASP 132 Cb 0.49 0.71 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2whw h ASP 132 CO 0.01 -0.29 0.16 0.00 -1.72 0.00 0.00 179.24 177.40 2whw h ALA 133 N 1.19 1.02 -0.76 3.45 0.00 -1.30 -2.66 119.26 120.20 2whw h ALA 133 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2whw h ALA 133 Cb 0.58 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2whw h ALA 133 CO -0.88 0.64 0.46 1.98 0.00 0.00 0.00 179.25 181.45 2whw h MET 134 N 1.02 1.02 0.00 0.00 1.85 0.23 -2.79 114.93 116.25 2whw h MET 134 Ca 0.21 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 2whw h MET 134 Cb 0.36 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.17 2whw h MET 134 CO 0.00 0.71 -0.04 1.28 -0.40 0.00 0.00 176.91 178.47 2whw n LEU 135 N -4.39 0.08 0.23 3.39 4.77 -0.63 -2.95 117.00 117.50 2whw n LEU 135 Ca 0.08 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 2whw n LEU 135 Cb 0.06 -0.47 0.45 0.00 -2.33 0.00 0.00 43.42 41.13 2whw n LEU 135 CO 0.37 -0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.25 2whw h ALA 136 N 2.97 0.99 -2.21 -1.18 0.00 -1.34 -3.45 119.26 115.05 2whw h ALA 136 Ca 0.00 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.18 2whw h ALA 136 Cb 0.51 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.29 2whw h ALA 136 CO 0.00 0.22 1.19 0.00 0.00 0.00 0.00 179.25 180.66 2whw n ALA 137 N -2.19 1.31 -0.20 0.00 0.00 -1.15 -4.91 120.51 113.37 2whw n ALA 137 Ca 0.01 0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 2whw n ALA 137 Cb 0.43 -2.62 0.09 0.00 0.00 0.00 0.00 19.45 17.36 2whw n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2whw h PRO 138 N 10.19 1.01 0.00 0.00 0.11 -1.93 -2.51 132.00 138.88 2whw h PRO 138 Ca -0.49 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.37 2whw h PRO 138 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2whw h PRO 138 CO 0.94 0.92 0.00 -0.40 -0.21 0.00 0.00 178.00 179.26 2whw n ASP 139 N -4.23 0.00 -3.37 -2.05 5.75 -1.26 -4.88 116.55 106.51 2whw n ASP 139 Ca 0.04 -1.14 -0.23 0.00 -0.01 0.00 0.00 54.79 53.45 2whw n ASP 139 Cb 0.27 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.43 2whw n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2whw n GLY 140 N 0.38 -0.52 3.18 6.12 0.00 -0.94 -4.88 105.19 108.53 2whw n GLY 140 Ca 0.09 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 2whw n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2whw s ARG 141 N -6.11 0.87 -0.06 1.61 0.52 -1.26 -1.31 118.95 113.20 2whw s ARG 141 Ca 0.49 -1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 2whw s ARG 141 Cb -0.22 -0.52 0.11 0.00 0.52 0.00 0.00 34.95 34.84 2whw s ARG 141 CO 0.61 0.07 0.93 0.00 0.02 0.00 0.00 175.30 176.93 2whw s ALA 142 N -2.60 -1.86 -0.53 2.13 0.00 -1.02 -4.84 121.76 113.03 2whw s ALA 142 Ca 0.07 1.22 -0.24 0.00 0.00 0.00 0.00 51.96 53.01 2whw s ALA 142 Cb -0.02 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.19 2whw s ALA 142 CO -0.00 -0.56 0.92 0.34 0.00 0.00 0.00 175.76 176.46 2whw s ASP 143 N -2.02 6.37 0.34 0.00 2.15 -1.26 -0.81 116.67 121.44 2whw s ASP 143 Ca 0.03 -0.28 0.14 0.00 0.43 0.00 0.00 52.55 52.87 2whw s ASP 143 Cb -0.01 -2.43 1.05 0.00 -0.30 0.00 0.00 42.92 41.23 2whw s ASP 143 CO -0.05 -1.17 1.69 0.25 -0.17 0.00 0.00 175.17 175.72 2whw h LEU 144 N 10.82 0.55 0.15 -1.34 5.85 -1.22 -0.72 115.31 129.40 2whw h LEU 144 Ca -0.26 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2whw h LEU 144 Cb 1.08 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2whw h LEU 144 CO 1.07 -0.06 -0.07 0.24 -0.34 0.00 0.00 178.44 179.28 2whw h MET 145 N 0.39 -0.20 -0.01 1.25 2.86 -1.94 0.42 114.93 117.71 2whw h MET 145 Ca 0.71 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 58.27 2whw h MET 145 Cb 1.58 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 2whw h MET 145 CO -0.55 0.04 -0.42 1.49 1.06 0.00 0.00 176.91 178.53 2whw h GLU 146 N -0.42 0.02 0.00 1.72 4.81 -1.86 -0.50 114.58 118.35 2whw h GLU 146 Ca -0.02 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 2whw h GLU 146 Cb 0.33 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2whw h GLU 146 CO 0.03 0.44 -1.23 0.77 -0.73 0.00 0.00 179.01 178.30 2whw h SER 147 N 0.02 0.00 0.00 1.04 0.02 -1.06 -3.41 113.55 110.15 2whw h SER 147 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2whw h SER 147 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2whw h SER 147 CO 0.06 0.86 0.00 -0.11 -1.14 0.00 0.00 176.83 176.49 2whw n LEU 148 N -3.16 -0.37 -0.29 5.07 7.94 0.06 -4.78 117.00 121.47 2whw n LEU 148 Ca -0.07 0.47 -0.02 0.00 -1.11 0.00 0.00 56.01 55.28 2whw n LEU 148 Cb 0.93 0.56 0.11 0.00 0.53 0.00 0.00 43.42 45.55 2whw n LEU 148 CO 0.45 -0.71 1.19 0.00 -1.11 0.00 0.00 177.39 177.21 2whw h ALA 149 N 0.00 1.08 0.07 1.96 0.00 -1.30 -1.50 119.26 119.58 2whw h ALA 149 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2whw h ALA 149 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2whw h ALA 149 CO 0.00 0.32 -0.04 -1.49 0.00 0.00 0.00 179.25 178.04 2whw h TRP 150 N 0.99 -0.09 -0.19 0.00 4.06 -1.33 -3.37 115.95 116.02 2whw h TRP 150 Ca 0.33 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.27 2whw h TRP 150 Cb 0.04 0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 2whw h TRP 150 CO -0.03 0.16 0.09 -1.00 -3.56 0.00 0.00 178.44 174.10 2whw h PRO 151 N -1.00 0.26 0.72 0.49 0.13 -1.73 -3.22 132.00 127.64 2whw h PRO 151 Ca -0.01 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 2whw h PRO 151 Cb 0.30 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.38 2whw h PRO 151 CO 0.02 0.21 -0.34 1.25 -0.23 0.00 0.00 178.00 178.90 2whw h LEU 152 N 0.26 -0.81 -0.97 1.56 5.85 -1.45 -1.93 115.31 117.83 2whw h LEU 152 Ca 0.07 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2whw h LEU 152 Cb 0.04 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2whw h LEU 152 CO -0.01 -0.55 -0.04 -0.65 -0.34 0.00 0.00 178.44 176.85 2whw h PRO 153 N -1.01 0.71 -0.97 5.25 0.11 -1.74 -1.79 132.00 132.55 2whw h PRO 153 Ca -0.10 -0.19 0.01 0.00 0.11 0.00 0.00 66.00 65.82 2whw h PRO 153 Cb 0.75 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.73 2whw h PRO 153 CO 0.16 0.75 0.63 0.82 -0.21 0.00 0.00 178.00 180.15 2whw h ILE 154 N 0.66 1.25 -0.05 4.15 2.04 -1.59 0.18 117.51 124.14 2whw h ILE 154 Ca 0.13 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2whw h ILE 154 Cb 0.46 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2whw h ILE 154 CO 0.02 0.25 -0.11 0.74 0.00 0.00 0.00 178.15 179.06 2whw h THR 155 N 1.32 1.42 0.14 -0.27 2.02 -0.88 -1.40 112.91 115.26 2whw h THR 155 Ca 0.35 -1.42 0.01 0.00 0.77 0.00 0.00 66.41 66.13 2whw h THR 155 Cb -0.13 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2whw h THR 155 CO -0.07 0.39 -0.17 0.58 0.37 0.00 0.00 175.52 176.62 2whw h VAL 156 N -0.33 0.63 -0.44 3.16 2.07 -1.21 -1.76 116.25 118.37 2whw h VAL 156 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2whw h VAL 156 Cb 0.69 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2whw h VAL 156 CO 0.02 0.00 -0.14 -0.29 0.02 0.00 0.00 177.57 177.18 2whw h ILE 157 N -0.34 1.26 -0.38 4.57 6.09 -0.67 -2.17 117.51 125.87 2whw h ILE 157 Ca 0.01 -1.24 -0.04 0.00 -1.37 0.00 0.00 64.86 62.23 2whw h ILE 157 Cb 0.34 1.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 2whw h ILE 157 CO -0.06 0.42 0.08 0.28 -3.07 0.00 0.00 178.15 175.80 2whw h SER 158 N 0.73 0.52 -0.26 2.19 0.02 -1.15 -1.64 113.55 113.96 2whw h SER 158 Ca 0.12 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 2whw h SER 158 Cb 0.65 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2whw h SER 158 CO 0.05 0.53 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.57 2whw h GLU 159 N 0.55 0.70 -0.47 3.45 5.08 -1.04 0.10 114.58 122.95 2whw h GLU 159 Ca 0.13 -0.41 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2whw h GLU 159 Cb 0.23 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2whw h GLU 159 CO -0.00 1.03 0.16 -0.07 -1.00 0.00 0.00 179.01 179.13 2whw h LEU 160 N 0.43 0.15 0.00 1.33 3.38 -1.06 -3.16 115.31 116.38 2whw h LEU 160 Ca 0.03 0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 2whw h LEU 160 Cb 0.95 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2whw h LEU 160 CO 0.09 0.12 -0.99 -0.07 0.09 0.00 0.00 178.44 177.67 2whw h LEU 161 N 0.33 0.00 -0.29 1.67 4.07 -1.33 -0.61 115.31 119.14 2whw h LEU 161 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2whw h LEU 161 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2whw h LEU 161 CO -0.24 0.93 0.00 0.61 -1.08 0.00 0.00 178.44 178.67 2whw n GLY 162 N 1.35 1.02 3.52 0.83 0.00 -0.49 -2.28 105.19 109.14 2whw n GLY 162 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2whw n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whw s VAL 163 N -2.29 5.04 0.31 1.61 1.01 -0.10 -5.02 120.40 120.96 2whw s VAL 163 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2whw s VAL 163 Cb 0.00 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 32.26 2whw s VAL 163 CO 0.00 -0.32 1.40 -2.65 0.00 0.00 0.00 175.10 173.53 2whw n PRO 164 N 5.70 2.30 -0.35 2.72 -0.02 -1.26 -4.71 135.00 139.38 2whw n PRO 164 Ca -0.06 0.81 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 2whw n PRO 164 Cb 0.48 -2.47 0.26 0.00 -0.02 0.00 0.00 33.50 31.76 2whw n PRO 164 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2whw h GLU 165 N 3.41 0.00 0.00 -0.52 4.22 -1.96 0.92 114.58 120.66 2whw h GLU 165 Ca -0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.96 2whw h GLU 165 Cb 1.26 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2whw h GLU 165 CO 0.69 0.00 -0.06 -1.35 -2.18 0.00 0.00 179.01 176.11 2whw h PRO 166 N 0.00 0.00 0.00 0.92 0.11 -2.05 -2.12 132.00 128.87 2whw h PRO 166 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2whw h PRO 166 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2whw h PRO 166 CO -0.95 0.06 -0.19 -0.44 -0.21 0.00 0.00 178.00 176.28 2whw h ASP 167 N 0.00 0.00 0.45 -2.05 3.45 -1.15 -3.39 116.42 113.72 2whw h ASP 167 Ca -0.00 -0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 2whw h ASP 167 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 2whw h ASP 167 CO 0.01 0.03 -0.21 0.03 -1.57 0.00 0.00 179.24 177.52 2whw h ARG 168 N 0.00 -0.58 -0.92 3.56 3.08 -1.36 -2.84 114.38 115.33 2whw h ARG 168 Ca 0.00 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.21 2whw h ARG 168 Cb 0.79 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 30.83 2whw h ARG 168 CO 0.00 -0.30 -0.45 0.00 -1.07 0.00 0.00 179.97 178.15 2whw h ALA 169 N -0.32 -0.13 -0.77 0.04 0.00 -1.76 -0.63 119.26 115.69 2whw h ALA 169 Ca -0.06 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2whw h ALA 169 Cb 0.54 1.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 2whw h ALA 169 CO 0.10 -0.76 0.37 0.00 0.00 0.00 0.00 179.25 178.96 2whw h ALA 170 N 1.00 1.20 -0.99 0.00 0.00 -1.82 -2.28 119.26 116.37 2whw h ALA 170 Ca 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2whw h ALA 170 Cb 0.54 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2whw h ALA 170 CO -0.92 0.61 0.65 0.35 0.00 0.00 0.00 179.25 179.94 2whw h PHE 171 N 1.09 1.25 -0.46 0.00 3.57 -0.92 -2.75 116.94 118.73 2whw h PHE 171 Ca 0.27 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 2whw h PHE 171 Cb 0.11 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2whw h PHE 171 CO 0.01 0.80 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.77 2whw h ARG 172 N 1.35 0.82 -0.57 1.11 2.43 -0.60 -0.63 114.38 118.29 2whw h ARG 172 Ca 0.36 -0.28 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 2whw h ARG 172 Cb -0.14 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.27 2whw h ARG 172 CO -0.08 0.90 0.16 0.28 -1.51 0.00 0.00 179.97 179.72 2whw h VAL 173 N 0.67 0.73 -0.18 0.20 2.07 -1.41 -1.04 116.25 117.28 2whw h VAL 173 Ca 0.13 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 2whw h VAL 173 Cb 0.54 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2whw h VAL 173 CO 0.03 0.06 -0.26 -0.50 0.02 0.00 0.00 177.57 176.92 2whw h TRP 174 N 0.31 0.37 0.00 1.57 6.55 -1.15 -1.75 115.95 121.85 2whw h TRP 174 Ca 0.29 -0.07 -0.08 0.00 0.95 0.00 0.00 58.89 59.98 2whw h TRP 174 Cb 0.38 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 2whw h TRP 174 CO -0.20 0.57 -0.36 1.15 -1.05 0.00 0.00 178.44 178.54 2whw h THR 175 N 0.30 0.99 0.15 1.49 2.02 0.14 -2.93 112.91 115.06 2whw h THR 175 Ca 0.05 -1.39 -0.36 0.00 0.77 0.00 0.00 66.41 65.48 2whw h THR 175 Cb 0.62 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 2whw h THR 175 CO 0.04 0.36 -1.91 0.44 0.37 0.00 0.00 175.52 174.82 2whw h ASP 176 N 0.00 0.49 -0.35 4.18 3.32 -0.52 -2.13 116.42 121.41 2whw h ASP 176 Ca -0.00 -0.95 0.07 0.00 0.02 0.00 0.00 57.03 56.17 2whw h ASP 176 Cb 0.78 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2whw h ASP 176 CO 0.05 1.84 0.24 0.00 -1.72 0.00 0.00 179.24 179.65 2whw h ALA 177 N 0.09 2.14 0.21 3.45 0.00 -1.53 1.25 119.26 124.87 2whw h ALA 177 Ca -0.40 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.19 2whw h ALA 177 Cb 2.06 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.86 2whw h ALA 177 CO 0.12 -0.23 -1.43 0.35 0.00 0.00 0.00 179.25 178.07 2whw h PHE 178 N 0.14 0.80 0.00 0.00 3.57 -1.51 -2.97 116.94 116.98 2whw h PHE 178 Ca 0.16 -0.58 -0.11 0.00 3.53 0.00 0.00 57.97 60.96 2whw h PHE 178 Cb 0.45 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2whw h PHE 178 CO -0.00 1.55 -0.65 0.28 -2.23 0.00 0.00 178.31 177.26 2whw h VAL 179 N 0.00 1.06 -2.72 1.41 2.07 -1.05 -3.40 116.25 113.62 2whw h VAL 179 Ca -0.26 -2.03 -0.73 0.00 0.82 0.00 0.00 66.70 64.49 2whw h VAL 179 Cb 2.03 2.25 -0.33 0.00 -1.52 0.00 0.00 31.29 33.71 2whw h VAL 179 CO 0.21 0.36 0.23 0.49 0.02 0.00 0.00 177.57 178.88 2whw n PHE 180 N -4.54 3.00 -2.11 1.57 3.01 0.43 -5.02 117.46 113.79 2whw n PHE 180 Ca -0.20 -3.30 -0.41 0.00 1.01 0.00 0.00 57.45 54.55 2whw n PHE 180 Cb 0.52 -1.02 -0.03 0.00 -0.01 0.00 0.00 39.48 38.94 2whw n PHE 180 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2whw s PRO 181 N -2.52 4.33 0.22 -1.08 0.04 -1.12 -4.47 135.00 130.41 2whw s PRO 181 Ca 0.34 2.19 -0.04 0.00 0.04 0.00 0.00 61.00 63.53 2whw s PRO 181 Cb 0.07 -3.14 0.22 0.00 0.04 0.00 0.00 34.50 31.69 2whw s PRO 181 CO 0.04 -0.31 1.66 -0.44 0.04 0.00 0.00 177.00 177.98 2whw h ASP 182 N 4.93 0.77 -4.79 6.66 3.45 -1.92 -3.47 116.42 122.06 2whw h ASP 182 Ca -0.46 -0.26 -0.03 0.00 0.43 0.00 0.00 57.03 56.72 2whw h ASP 182 Cb 1.22 -0.21 -0.20 0.00 -0.56 0.00 0.00 39.33 39.58 2whw h ASP 182 CO 0.76 0.95 0.28 1.51 -1.57 0.00 0.00 179.24 181.16 2whw s ASP 183 N -6.73 -0.59 0.35 6.45 3.84 -1.26 -5.08 116.67 113.65 2whw s ASP 183 Ca -0.09 0.65 0.02 0.00 -0.00 0.00 0.00 52.55 53.13 2whw s ASP 183 Cb 0.13 0.48 0.64 0.00 -1.38 0.00 0.00 42.92 42.80 2whw s ASP 183 CO 0.83 -0.55 2.01 -0.65 -0.00 0.00 0.00 175.17 176.81 2whw h PRO 184 N 2.90 0.83 -0.30 2.11 0.11 -1.97 -1.55 132.00 134.12 2whw h PRO 184 Ca -0.25 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.87 2whw h PRO 184 Cb 1.15 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2whw h PRO 184 CO 0.37 0.55 0.21 0.00 -0.21 0.00 0.00 178.00 178.92 2whw h ALA 185 N 1.60 2.11 0.47 -0.75 0.00 -1.99 -1.85 119.26 118.84 2whw h ALA 185 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2whw h ALA 185 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2whw h ALA 185 CO -0.05 -0.17 -0.23 0.37 0.00 0.00 0.00 179.25 179.16 2whw h GLN 186 N 0.14 -0.61 -0.72 0.00 4.15 -1.65 -2.50 115.11 113.91 2whw h GLN 186 Ca 0.14 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.75 2whw h GLN 186 Cb 0.37 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 28.06 2whw h GLN 186 CO -0.02 -0.31 -0.10 0.00 -1.93 0.00 0.00 178.83 176.47 2whw h ALA 187 N -0.79 0.60 -0.89 3.38 0.00 -1.48 0.31 119.26 120.40 2whw h ALA 187 Ca -0.06 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2whw h ALA 187 Cb 0.58 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2whw h ALA 187 CO 0.11 -0.42 0.53 1.96 0.00 0.00 0.00 179.25 181.43 2whw h GLN 188 N 0.04 1.20 -0.04 0.00 1.08 -1.37 -0.93 115.11 115.10 2whw h GLN 188 Ca 0.37 -0.11 -0.24 0.00 -1.45 0.00 0.00 58.65 57.22 2whw h GLN 188 Cb 0.61 -0.25 0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2whw h GLN 188 CO -0.70 0.84 -0.95 1.15 -0.95 0.00 0.00 178.83 178.22 2whw h THR 189 N 1.22 1.31 -0.48 -0.54 2.02 -0.77 -2.19 112.91 113.49 2whw h THR 189 Ca 0.32 -2.23 -0.07 0.00 0.77 0.00 0.00 66.41 65.20 2whw h THR 189 Cb -0.05 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2whw h THR 189 CO -0.06 0.69 0.01 0.00 0.37 0.00 0.00 175.52 176.52 2whw h ALA 190 N 0.55 1.12 0.15 6.16 0.00 -0.28 -1.66 119.26 125.30 2whw h ALA 190 Ca -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2whw h ALA 190 Cb 1.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2whw h ALA 190 CO 0.18 0.57 -0.07 0.52 0.00 0.00 0.00 179.25 180.45 2whw h MET 191 N 0.74 -0.19 -0.94 0.00 2.07 -1.02 0.25 114.93 115.84 2whw h MET 191 Ca 0.14 0.01 0.11 0.00 -2.07 0.00 0.00 59.70 57.90 2whw h MET 191 Cb 0.44 0.04 -0.07 0.00 -1.87 0.00 0.00 31.60 30.14 2whw h MET 191 CO 0.02 -0.07 0.60 0.00 1.07 0.00 0.00 176.91 178.53 2whw h ALA 192 N 0.57 1.60 -0.04 6.32 0.00 -1.31 -1.39 119.26 124.99 2whw h ALA 192 Ca -0.02 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2whw h ALA 192 Cb 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2whw h ALA 192 CO 0.03 0.20 -0.53 0.93 0.00 0.00 0.00 179.25 179.88 2whw h GLU 193 N 0.93 0.44 -0.96 0.00 5.08 -0.78 -2.01 114.58 117.28 2whw h GLU 193 Ca 0.45 -0.41 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2whw h GLU 193 Cb 0.45 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2whw h GLU 193 CO -0.21 1.06 0.62 1.98 -1.00 0.00 0.00 179.01 181.46 2whw h MET 194 N -0.03 1.06 0.01 2.33 4.05 -0.40 0.21 114.93 122.15 2whw h MET 194 Ca -0.05 -0.06 -0.23 0.00 -0.28 0.00 0.00 59.70 59.08 2whw h MET 194 Cb 1.21 -0.24 0.02 0.00 -0.80 0.00 0.00 31.60 31.79 2whw h MET 194 CO 0.11 0.70 -0.89 1.03 0.23 0.00 0.00 176.91 178.09 2whw h SER 195 N 1.09 0.77 -0.60 1.39 0.87 -1.28 0.17 113.55 115.96 2whw h SER 195 Ca 0.42 -0.75 0.05 0.00 -1.23 0.00 0.00 61.79 60.28 2whw h SER 195 Cb 0.21 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 2whw h SER 195 CO -0.17 1.42 0.32 1.23 -0.53 0.00 0.00 176.83 179.10 2whw h GLY 196 N 0.19 0.86 1.15 5.77 0.00 -1.27 -1.89 103.07 107.89 2whw h GLY 196 Ca -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2whw h GLY 196 CO 0.17 0.13 0.39 -1.82 0.00 0.00 0.00 176.54 175.42 2whw h TYR 197 N 0.60 1.09 -0.36 5.60 3.20 -0.26 -2.29 116.97 124.55 2whw h TYR 197 Ca 0.27 -0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.95 2whw h TYR 197 Cb 0.17 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2whw h TYR 197 CO -0.09 0.78 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.78 2whw h LEU 198 N 1.10 0.94 -1.20 2.82 3.38 -0.80 0.30 115.31 121.84 2whw h LEU 198 Ca 0.27 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2whw h LEU 198 Cb 0.08 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 2whw h LEU 198 CO -0.04 1.21 0.57 0.28 0.09 0.00 0.00 178.44 180.55 2whw h SER 199 N 0.68 0.82 -0.06 -0.43 0.02 -1.20 0.74 113.55 114.12 2whw h SER 199 Ca 0.06 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2whw h SER 199 Cb 0.94 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2whw h SER 199 CO 0.09 0.50 -0.16 0.03 -1.14 0.00 0.00 176.83 176.15 2whw h ARG 200 N 0.92 0.22 -0.32 3.45 3.08 -0.90 -2.15 114.38 118.68 2whw h ARG 200 Ca 0.39 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.36 2whw h ARG 200 Cb 0.32 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 2whw h ARG 200 CO -0.16 0.76 -0.19 1.25 -1.07 0.00 0.00 179.97 180.56 2whw h LEU 201 N -0.29 -0.65 -0.43 3.04 5.85 -0.68 0.15 115.31 122.31 2whw h LEU 201 Ca -0.00 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2whw h LEU 201 Cb 0.77 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2whw h LEU 201 CO 0.04 -0.23 0.06 0.40 -0.34 0.00 0.00 178.44 178.37 2whw h ILE 202 N -0.15 0.74 0.00 4.05 2.04 -0.89 -1.82 117.51 121.48 2whw h ILE 202 Ca 0.17 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.85 2whw h ILE 202 Cb 0.41 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2whw h ILE 202 CO -0.42 0.03 -0.55 -0.78 0.00 0.00 0.00 178.15 176.43 2whw h ASP 203 N 0.18 0.00 0.39 1.72 1.82 -0.92 0.10 116.42 119.71 2whw h ASP 203 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2whw h ASP 203 Cb 0.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2whw h ASP 203 CO -0.30 0.55 0.00 -1.54 -1.61 0.00 0.00 179.24 176.35 2whw n SER 204 N -3.81 0.37 0.13 2.28 3.41 0.48 -1.84 113.62 114.64 2whw n SER 204 Ca -0.01 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 2whw n SER 204 Cb 0.57 -0.69 0.04 0.00 -0.26 0.00 0.00 64.21 63.87 2whw n SER 204 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2whw h LYS 205 N 0.00 0.00 -6.69 4.33 1.79 -0.54 -3.45 116.57 112.00 2whw h LYS 205 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2whw h LYS 205 Cb 0.19 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.90 2whw h LYS 205 CO 0.00 0.20 0.85 1.03 -1.08 0.00 0.00 179.45 180.45 2whw s ARG 206 N -3.12 4.21 -0.11 3.15 0.52 -0.77 -1.36 118.95 121.47 2whw s ARG 206 Ca 0.02 2.41 0.00 0.00 -0.52 0.00 0.00 55.73 57.64 2whw s ARG 206 Cb 0.08 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.44 2whw s ARG 206 CO 0.75 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.91 2whw n GLY 207 N 2.96 0.38 0.70 -3.53 0.00 -1.26 -4.90 105.19 99.54 2whw n GLY 207 Ca 0.11 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2whw n GLY 207 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2whw n GLN 208 N -1.44 1.75 -2.93 1.61 1.13 -0.46 -4.96 117.38 112.07 2whw n GLN 208 Ca -0.01 -1.46 -0.20 0.00 -1.94 0.00 0.00 57.00 53.38 2whw n GLN 208 Cb 0.23 -1.40 0.01 0.00 0.11 0.00 0.00 30.24 29.18 2whw n GLN 208 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2whw n ASP 209 N 0.74 -4.94 -4.77 1.08 8.00 -1.26 -4.95 116.55 110.44 2whw n ASP 209 Ca 0.11 -0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.07 2whw n ASP 209 Cb 0.49 -4.07 0.01 0.00 -0.02 0.00 0.00 41.12 37.53 2whw n ASP 209 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2whw s GLY 210 N -2.49 2.58 -0.06 0.44 0.00 -1.26 -4.95 107.32 101.57 2whw s GLY 210 Ca 0.23 0.79 0.15 0.00 0.00 0.00 0.00 44.72 45.90 2whw s GLY 210 CO 0.29 1.15 1.41 1.18 0.00 0.00 0.00 173.10 177.12 2whw n GLU 211 N -1.43 3.07 -1.86 2.90 -0.58 -1.26 -4.55 120.64 116.94 2whw n GLU 211 Ca 0.11 -2.48 -0.29 0.00 -0.42 0.00 0.00 57.16 54.08 2whw n GLU 211 Cb 0.51 -1.57 0.14 0.00 -0.57 0.00 0.00 31.44 29.95 2whw n GLU 211 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2whw s ASP 212 N -1.18 3.75 0.17 1.62 1.47 -1.26 -4.86 116.67 116.37 2whw s ASP 212 Ca 0.36 0.58 -0.11 0.00 1.18 0.00 0.00 52.55 54.57 2whw s ASP 212 Cb 0.23 -0.89 0.05 0.00 -0.34 0.00 0.00 42.92 41.97 2whw s ASP 212 CO 0.18 -2.37 1.64 0.25 0.68 0.00 0.00 175.17 175.56 2whw h LEU 213 N -1.38 0.94 -0.76 2.11 5.85 -1.23 -2.06 115.31 118.77 2whw h LEU 213 Ca -0.46 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 57.91 2whw h LEU 213 Cb 1.29 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2whw h LEU 213 CO 0.53 0.98 0.12 0.25 -0.34 0.00 0.00 178.44 179.99 2whw h LEU 214 N 0.85 1.01 -0.66 2.25 5.85 -1.66 -0.83 115.31 122.13 2whw h LEU 214 Ca 0.17 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2whw h LEU 214 Cb 0.47 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2whw h LEU 214 CO 0.02 1.00 0.37 0.28 -0.34 0.00 0.00 178.44 179.77 2whw h SER 215 N 1.00 0.82 -0.39 1.25 0.02 -1.63 -0.64 113.55 113.98 2whw h SER 215 Ca 0.20 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2whw h SER 215 Cb 0.41 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2whw h SER 215 CO 0.01 0.67 0.25 0.00 -1.14 0.00 0.00 176.83 176.62 2whw h ALA 216 N 1.18 0.49 -0.35 3.77 0.00 -0.82 -2.30 119.26 121.22 2whw h ALA 216 Ca 0.23 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2whw h ALA 216 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2whw h ALA 216 CO -0.04 -0.04 -0.23 -0.07 0.00 0.00 0.00 179.25 178.87 2whw h LEU 217 N 0.52 0.70 -0.07 0.00 3.38 -0.74 -1.40 115.31 117.70 2whw h LEU 217 Ca 0.14 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2whw h LEU 217 Cb -0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2whw h LEU 217 CO -0.03 0.91 -0.16 0.58 0.09 0.00 0.00 178.44 179.83 2whw h VAL 218 N 0.60 0.60 -0.67 1.22 2.07 -1.02 0.85 116.25 119.90 2whw h VAL 218 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2whw h VAL 218 Cb 0.71 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2whw h VAL 218 CO 0.05 0.00 0.43 0.03 0.02 0.00 0.00 177.57 178.11 2whw h ARG 219 N -0.23 0.89 -0.51 1.57 3.08 -1.29 0.96 114.38 118.84 2whw h ARG 219 Ca 0.07 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.16 2whw h ARG 219 Cb 0.33 -0.20 -0.09 0.00 0.08 0.00 0.00 29.97 30.10 2whw h ARG 219 CO -0.20 0.60 -0.03 1.15 -1.07 0.00 0.00 179.97 180.42 2whw h THR 220 N 0.91 0.57 -0.32 2.04 2.02 -0.89 -0.05 112.91 117.19 2whw h THR 220 Ca 0.24 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 2whw h THR 220 Cb -0.09 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2whw h THR 220 CO -0.05 0.02 -0.11 -1.28 0.37 0.00 0.00 175.52 174.46 2whw h SER 221 N 0.08 0.65 0.60 4.18 0.87 -0.36 -2.66 113.55 116.90 2whw h SER 221 Ca 0.25 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 2whw h SER 221 Cb 0.39 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2whw h SER 221 CO -0.45 0.89 -0.40 0.44 -0.53 0.00 0.00 176.83 176.78 2whw h ASP 222 N 0.40 0.00 -0.22 6.23 3.32 -0.38 -2.66 116.42 123.10 2whw h ASP 222 Ca 0.08 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 2whw h ASP 222 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2whw h ASP 222 CO 0.04 0.40 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.26 2whw h GLU 223 N 0.00 0.75 -1.09 3.56 5.08 -0.90 -3.42 114.58 118.57 2whw h GLU 223 Ca -0.00 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2whw h GLU 223 Cb 0.80 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.84 2whw h GLU 223 CO 0.05 0.99 -0.40 0.34 -1.00 0.00 0.00 179.01 178.99 2whw s ASP 224 N -6.83 -1.38 0.28 1.42 -1.08 -1.02 -5.01 116.67 103.05 2whw s ASP 224 Ca -0.09 0.05 0.18 0.00 -0.52 0.00 0.00 52.55 52.17 2whw s ASP 224 Cb 0.12 1.92 0.98 0.00 -1.46 0.00 0.00 42.92 44.48 2whw s ASP 224 CO 0.85 -0.30 1.54 0.61 0.52 0.00 0.00 175.17 178.39 2whw n GLY 225 N 5.34 -0.79 0.11 2.66 0.00 -1.02 -1.27 105.19 110.22 2whw n GLY 225 Ca 0.05 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.36 2whw n GLY 225 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2whw h SER 226 N 0.00 0.00 0.69 1.61 4.64 -1.95 -3.21 113.55 115.34 2whw h SER 226 Ca 0.00 -0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 60.97 2whw h SER 226 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2whw h SER 226 CO 0.00 0.04 -1.26 0.03 -0.87 0.00 0.00 176.83 174.78 2whw h ARG 227 N 0.00 0.17 -1.99 4.77 3.08 -1.53 -3.43 114.38 115.46 2whw h ARG 227 Ca 0.00 -0.30 -0.20 0.00 0.07 0.00 0.00 59.98 59.55 2whw h ARG 227 Cb 0.87 0.11 -0.31 0.00 0.08 0.00 0.00 29.97 30.72 2whw h ARG 227 CO 0.00 1.10 -0.53 -1.17 -1.07 0.00 0.00 179.97 178.30 2whw s LEU 228 N -6.93 -0.54 0.81 3.04 2.96 -1.16 -4.90 118.68 111.97 2whw s LEU 228 Ca -0.04 -0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.73 2whw s LEU 228 Cb 0.08 0.94 0.08 0.00 0.50 0.00 0.00 46.19 47.79 2whw s LEU 228 CO 0.86 -0.32 1.13 0.42 -1.32 0.00 0.00 176.35 177.11 2whw s THR 229 N 2.49 2.63 0.28 3.68 -4.23 -1.21 -4.42 115.64 114.86 2whw s THR 229 Ca 0.11 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 2whw s THR 229 Cb -0.15 -3.06 0.08 0.00 1.34 0.00 0.00 72.50 70.72 2whw s THR 229 CO -0.19 -0.27 1.74 0.77 -0.54 0.00 0.00 174.62 176.13 2whw h SER 230 N -1.11 0.58 -0.40 3.99 4.64 -1.93 0.20 113.55 119.52 2whw h SER 230 Ca -0.47 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 60.66 2whw h SER 230 Cb 1.30 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2whw h SER 230 CO 0.62 0.76 0.21 -0.33 -0.87 0.00 0.00 176.83 177.22 2whw h GLU 231 N 0.53 0.56 -0.67 4.77 5.08 -1.94 -1.97 114.58 120.94 2whw h GLU 231 Ca 0.09 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2whw h GLU 231 Cb 0.59 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2whw h GLU 231 CO 0.04 0.47 0.32 0.93 -1.00 0.00 0.00 179.01 179.77 2whw h GLU 232 N 0.51 0.94 -0.26 2.33 5.08 -1.63 -1.47 114.58 120.08 2whw h GLU 232 Ca 0.14 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2whw h GLU 232 Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2whw h GLU 232 CO -0.02 0.73 0.06 1.25 -1.00 0.00 0.00 179.01 180.03 2whw h LEU 233 N 0.94 0.40 -0.46 1.33 5.85 -0.37 0.93 115.31 123.93 2whw h LEU 233 Ca 0.23 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2whw h LEU 233 Cb 0.09 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2whw h LEU 233 CO -0.03 0.53 0.23 0.25 -0.34 0.00 0.00 178.44 179.08 2whw h LEU 234 N 0.25 0.33 -1.28 2.25 6.46 -1.31 -1.79 115.31 120.21 2whw h LEU 234 Ca 0.08 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 2whw h LEU 234 Cb 0.29 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2whw h LEU 234 CO 0.00 0.23 -0.17 1.23 -0.62 0.00 0.00 178.44 179.12 2whw h GLY 235 N 0.46 0.30 0.72 3.75 0.00 -0.77 -1.10 103.07 106.42 2whw h GLY 235 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2whw h GLY 235 CO -0.14 0.18 0.00 1.98 0.00 0.00 0.00 176.54 178.56 2whw h MET 236 N 0.26 0.06 -0.29 4.80 1.85 -0.64 -0.13 114.93 120.83 2whw h MET 236 Ca 0.05 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.14 2whw h MET 236 Cb 0.46 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 2whw h MET 236 CO 0.03 0.34 0.14 0.00 -0.40 0.00 0.00 176.91 177.02 2whw h ALA 237 N 0.72 0.35 -0.35 0.39 0.00 -1.14 -1.62 119.26 117.61 2whw h ALA 237 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2whw h ALA 237 Cb 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2whw h ALA 237 CO 0.00 -0.24 0.19 1.25 0.00 0.00 0.00 179.25 180.45 2whw h HIS 238 N 0.30 0.47 -0.45 0.00 6.17 -1.13 -2.04 115.15 118.47 2whw h HIS 238 Ca 0.12 -0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.08 2whw h HIS 238 Cb 0.04 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 2whw h HIS 238 CO -0.10 0.37 -0.14 0.97 0.71 0.00 0.00 177.93 179.74 2whw h ILE 239 N 0.44 1.27 -0.44 6.26 6.09 -0.77 0.84 117.51 131.21 2whw h ILE 239 Ca 0.12 -1.27 -0.09 0.00 -1.37 0.00 0.00 64.86 62.25 2whw h ILE 239 Cb 0.05 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.47 2whw h ILE 239 CO -0.02 0.43 -0.08 -0.07 -3.07 0.00 0.00 178.15 175.34 2whw h LEU 240 N 0.73 0.83 -0.24 2.19 3.38 -1.24 -1.31 115.31 119.65 2whw h LEU 240 Ca 0.11 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2whw h LEU 240 Cb 0.69 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2whw h LEU 240 CO 0.05 0.98 -0.13 -0.07 0.09 0.00 0.00 178.44 179.37 2whw h LEU 241 N 0.66 0.53 -0.36 1.67 3.38 -1.22 -1.38 115.31 118.58 2whw h LEU 241 Ca 0.11 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.49 2whw h LEU 241 Cb 0.61 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2whw h LEU 241 CO 0.04 0.83 -0.57 0.58 0.09 0.00 0.00 178.44 179.40 2whw h VAL 242 N 0.23 1.29 -0.83 1.22 2.07 -0.76 -0.78 116.25 118.68 2whw h VAL 242 Ca 0.05 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 2whw h VAL 242 Cb 0.63 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2whw h VAL 242 CO 0.04 0.57 0.51 0.00 0.02 0.00 0.00 177.57 178.71 2whw h ALA 243 N 0.78 1.06 -0.09 1.67 0.00 -1.26 -2.37 119.26 119.04 2whw h ALA 243 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2whw h ALA 243 Cb 1.16 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2whw h ALA 243 CO 0.12 0.51 0.13 0.78 0.00 0.00 0.00 179.25 180.79 2whw h GLY 244 N 1.14 0.00 1.40 0.00 0.00 -0.67 -2.47 103.07 102.47 2whw h GLY 244 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.42 2whw h GLY 244 CO -0.06 0.00 -1.27 0.45 0.00 0.00 0.00 176.54 175.66 2whw h HIS 245 N 0.00 0.00 0.00 5.60 3.86 -0.84 -3.27 115.15 120.50 2whw h HIS 245 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2whw h HIS 245 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2whw h HIS 245 CO 0.00 0.82 0.00 0.39 0.86 0.00 0.00 177.93 180.00 2whw n GLU 246 N -3.11 0.40 -0.03 2.45 -0.58 -0.92 -4.73 120.64 114.12 2whw n GLU 246 Ca -0.08 -0.59 -0.07 0.00 -0.42 0.00 0.00 57.16 56.00 2whw n GLU 246 Cb 0.92 -0.75 -0.02 0.00 -0.57 0.00 0.00 31.44 31.02 2whw n GLU 246 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2whw n THR 247 N -0.11 0.71 -0.35 2.62 -2.24 -1.21 -4.59 114.28 109.09 2whw n THR 247 Ca 0.00 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 2whw n THR 247 Cb 0.24 -1.67 0.19 0.00 -2.10 0.00 0.00 70.33 66.98 2whw n THR 247 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2whw h THR 248 N -0.30 1.09 -0.72 4.28 2.02 -1.90 -0.06 112.91 117.32 2whw h THR 248 Ca -0.15 -0.40 0.14 0.00 0.77 0.00 0.00 66.41 66.77 2whw h THR 248 Cb 0.93 -0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 67.04 2whw h THR 248 CO -0.09 0.21 -0.21 0.58 0.37 0.00 0.00 175.52 176.37 2whw h VAL 249 N 1.15 0.24 0.00 3.16 2.07 -1.85 -1.01 116.25 120.02 2whw h VAL 249 Ca 0.42 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.93 2whw h VAL 249 Cb 0.16 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2whw h VAL 249 CO -0.16 0.00 -0.07 0.78 0.02 0.00 0.00 177.57 178.13 2whw h ASN 250 N -0.03 0.00 -0.19 0.57 2.35 -1.30 -2.34 115.58 114.64 2whw h ASN 250 Ca 0.33 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 2whw h ASN 250 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2whw h ASN 250 CO -0.75 0.05 -0.02 0.25 -1.65 0.00 0.00 177.43 175.31 2whw h LEU 251 N 0.00 0.34 -0.70 1.61 5.85 -0.33 -0.22 115.31 121.86 2whw h LEU 251 Ca -0.00 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 2whw h LEU 251 Cb 1.04 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2whw h LEU 251 CO 0.01 0.59 0.09 0.40 -0.34 0.00 0.00 178.44 179.19 2whw h ILE 252 N 0.08 1.26 0.10 4.05 2.04 -0.92 0.14 117.51 124.26 2whw h ILE 252 Ca 0.05 -1.05 -0.18 0.00 1.00 0.00 0.00 64.86 64.68 2whw h ILE 252 Cb 0.43 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2whw h ILE 252 CO 0.01 0.39 -0.88 0.00 0.00 0.00 0.00 178.15 177.68 2whw h ALA 253 N 1.07 0.03 -0.97 1.87 0.00 -1.43 -1.53 119.26 118.30 2whw h ALA 253 Ca 0.20 -0.82 0.05 0.00 0.00 0.00 0.00 54.91 54.34 2whw h ALA 253 Cb 0.46 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2whw h ALA 253 CO 0.02 0.47 0.63 -0.91 0.00 0.00 0.00 179.25 179.45 2whw h ASN 254 N -0.52 1.02 -0.17 0.00 4.21 -1.10 -0.29 115.58 118.72 2whw h ASN 254 Ca -0.18 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.18 2whw h ASN 254 Cb 1.53 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 2whw h ASN 254 CO 0.07 0.67 -0.48 1.23 -1.29 0.00 0.00 177.43 177.62 2whw h GLY 255 N 1.17 0.69 1.25 2.83 0.00 -0.98 -0.18 103.07 107.85 2whw h GLY 255 Ca 0.41 -0.88 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 2whw h GLY 255 CO -0.16 0.79 -0.06 -0.33 0.00 0.00 0.00 176.54 176.78 2whw h MET 256 N 0.30 0.89 -0.17 4.80 2.86 -1.12 -0.36 114.93 122.13 2whw h MET 256 Ca -0.01 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2whw h MET 256 Cb 1.10 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 2whw h MET 256 CO 0.10 0.93 -0.02 -0.92 1.06 0.00 0.00 176.91 178.06 2whw h TYR 257 N 0.81 -0.05 -0.93 -0.22 3.20 -0.91 0.05 116.97 118.93 2whw h TYR 257 Ca 0.14 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.12 2whw h TYR 257 Cb 0.57 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.82 2whw h TYR 257 CO 0.03 -0.05 0.57 0.00 -1.64 0.00 0.00 178.16 177.07 2whw h ALA 258 N 1.16 1.35 -0.13 1.82 0.00 -0.79 0.50 119.26 123.17 2whw h ALA 258 Ca 0.08 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2whw h ALA 258 Cb 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2whw h ALA 258 CO -0.16 0.21 -0.29 1.25 0.00 0.00 0.00 179.25 180.27 2whw h LEU 259 N 0.94 0.49 -0.65 0.00 5.85 0.03 -2.87 115.31 119.10 2whw h LEU 259 Ca 0.44 -0.56 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2whw h LEU 259 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2whw h LEU 259 CO -0.24 0.96 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.58 2whw h LEU 260 N 0.03 0.00 -0.89 2.25 3.38 -0.84 -2.97 115.31 116.27 2whw h LEU 260 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2whw h LEU 260 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2whw h LEU 260 CO 0.06 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 2whw n SER 261 N -3.22 1.35 -3.49 -0.43 3.41 0.15 -4.42 113.62 106.98 2whw n SER 261 Ca 0.02 -1.60 -0.27 0.00 -0.26 0.00 0.00 58.87 56.76 2whw n SER 261 Cb 0.49 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 2whw n SER 261 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2whw n HIS 262 N 0.10 0.81 0.12 7.33 8.25 -1.09 -5.01 115.22 125.72 2whw n HIS 262 Ca 0.17 -3.72 0.07 0.00 -0.26 0.00 0.00 57.72 53.98 2whw n HIS 262 Cb 0.29 -0.18 0.55 0.00 1.12 0.00 0.00 29.99 31.77 2whw n HIS 262 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2whw h PRO 263 N 5.07 0.24 -0.61 -0.41 0.13 -1.77 0.99 132.00 135.64 2whw h PRO 263 Ca 0.19 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.31 2whw h PRO 263 Cb 0.83 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 2whw h PRO 263 CO 0.53 0.16 0.40 0.38 -0.23 0.00 0.00 178.00 179.24 2whw h ASP 264 N 0.24 0.70 -0.02 1.44 2.03 -1.95 0.72 116.42 119.59 2whw h ASP 264 Ca 0.09 -0.02 -0.16 0.00 -0.73 0.00 0.00 57.03 56.21 2whw h ASP 264 Cb 0.06 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.40 2whw h ASP 264 CO -0.02 0.50 -0.62 1.56 -1.03 0.00 0.00 179.24 179.63 2whw h GLN 265 N 0.82 0.46 -0.65 4.15 1.08 -1.17 -2.13 115.11 117.66 2whw h GLN 265 Ca 0.22 -0.47 0.10 0.00 -1.45 0.00 0.00 58.65 57.06 2whw h GLN 265 Cb -0.09 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.39 2whw h GLN 265 CO -0.05 1.11 0.26 1.25 -0.95 0.00 0.00 178.83 180.45 2whw h LEU 266 N -0.02 0.27 -0.86 1.46 5.85 -0.84 -0.44 115.31 120.73 2whw h LEU 266 Ca -0.07 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2whw h LEU 266 Cb 1.32 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 2whw h LEU 266 CO 0.12 0.15 -0.07 0.00 -0.34 0.00 0.00 178.44 178.30 2whw h ALA 267 N 1.45 1.04 -0.14 1.25 0.00 0.51 -1.37 119.26 122.00 2whw h ALA 267 Ca 0.33 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2whw h ALA 267 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2whw h ALA 267 CO -0.32 0.59 -0.65 0.00 0.00 0.00 0.00 179.25 178.86 2whw h ALA 268 N 1.21 0.60 0.11 0.00 0.00 -0.59 -1.48 119.26 119.11 2whw h ALA 268 Ca 0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2whw h ALA 268 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2whw h ALA 268 CO 0.03 0.72 -0.05 1.25 0.00 0.00 0.00 179.25 181.19 2whw h LEU 269 N 0.39 -0.13 -1.38 0.00 5.85 -0.88 -1.91 115.31 117.25 2whw h LEU 269 Ca -0.02 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.56 2whw h LEU 269 Cb 1.22 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 2whw h LEU 269 CO 0.12 0.21 0.53 0.03 -0.34 0.00 0.00 178.44 178.99 2whw h ARG 270 N -0.47 0.62 0.00 1.25 3.08 -1.21 -0.60 114.38 117.05 2whw h ARG 270 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2whw h ARG 270 Cb 0.39 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2whw h ARG 270 CO 0.03 0.41 -0.01 0.00 -1.07 0.00 0.00 179.97 179.32 2whw n ALA 271 N -2.46 2.35 -3.16 0.04 0.00 -0.56 -4.53 120.51 112.19 2whw n ALA 271 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 2whw n ALA 271 Cb 0.42 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2whw n ALA 271 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2whw s ASP 272 N -3.12 -0.65 0.34 0.00 2.15 -0.25 -5.02 116.67 110.11 2whw s ASP 272 Ca 0.14 -1.34 0.26 0.00 0.43 0.00 0.00 52.55 52.03 2whw s ASP 272 Cb 0.18 1.45 1.13 0.00 -0.30 0.00 0.00 42.92 45.39 2whw s ASP 272 CO 0.54 -0.17 1.78 0.24 -0.17 0.00 0.00 175.17 177.39 2whw h MET 273 N 6.48 0.00 0.00 4.34 2.86 -1.74 -1.27 114.93 125.61 2whw h MET 273 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2whw h MET 273 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2whw h MET 273 CO 0.12 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.34 2whw n THR 274 N -2.43 1.44 1.87 2.22 -2.24 -1.26 -1.69 114.28 112.18 2whw n THR 274 Ca 0.01 0.42 0.15 0.00 -2.27 0.00 0.00 64.05 62.36 2whw n THR 274 Cb 0.21 -1.32 0.90 0.00 -2.10 0.00 0.00 70.33 68.02 2whw n THR 274 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2whw n LEU 275 N -1.65 0.00 -0.22 3.22 4.77 -0.48 -4.37 117.00 118.27 2whw n LEU 275 Ca 0.01 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 2whw n LEU 275 Cb 0.08 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2whw n LEU 275 CO 0.08 -0.00 1.09 0.25 -1.33 0.00 0.00 177.39 177.48 2whw h LEU 276 N 0.00 0.74 -0.47 2.23 6.46 -1.55 -1.13 115.31 121.59 2whw h LEU 276 Ca 0.00 -0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.59 2whw h LEU 276 Cb 0.04 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 2whw h LEU 276 CO 0.00 0.58 -0.11 0.44 -0.62 0.00 0.00 178.44 178.73 2whw h ASP 277 N 0.83 0.91 0.11 1.25 5.19 -1.84 -0.52 116.42 122.34 2whw h ASP 277 Ca 0.22 -0.36 -0.06 0.00 -0.62 0.00 0.00 57.03 56.21 2whw h ASP 277 Cb -0.02 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 2whw h ASP 277 CO -0.04 1.06 -0.20 1.23 -3.12 0.00 0.00 179.24 178.17 2whw h GLY 278 N 0.75 0.20 1.49 2.75 0.00 -1.78 -2.28 103.07 104.19 2whw h GLY 278 Ca 0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 2whw h GLY 278 CO 0.05 0.12 -0.40 0.00 0.00 0.00 0.00 176.54 176.30 2whw h ALA 279 N 1.63 0.85 -0.13 3.60 0.00 0.15 -0.86 119.26 124.51 2whw h ALA 279 Ca 0.03 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 2whw h ALA 279 Cb 0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2whw h ALA 279 CO 0.03 0.64 -0.65 0.28 0.00 0.00 0.00 179.25 179.55 2whw h VAL 280 N 0.46 1.35 -0.62 0.00 2.07 -0.81 -0.82 116.25 117.88 2whw h VAL 280 Ca 0.04 -1.97 -0.09 0.00 0.82 0.00 0.00 66.70 65.51 2whw h VAL 280 Cb 0.90 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2whw h VAL 280 CO 0.08 0.60 0.05 -0.33 0.02 0.00 0.00 177.57 177.99 2whw h GLU 281 N 0.36 1.06 0.00 1.57 4.39 -1.24 -2.14 114.58 118.57 2whw h GLU 281 Ca -0.01 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.35 2whw h GLU 281 Cb 1.21 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2whw h GLU 281 CO 0.12 1.00 -0.17 1.49 -1.16 0.00 0.00 179.01 180.28 2whw h GLU 282 N 0.98 0.00 -0.62 2.33 4.57 -0.73 -0.68 114.58 120.44 2whw h GLU 282 Ca 0.19 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 2whw h GLU 282 Cb 0.49 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 2whw h GLU 282 CO 0.02 0.17 0.16 0.52 -1.18 0.00 0.00 179.01 178.70 2whw h MET 283 N 0.00 0.99 -0.62 1.92 2.86 -0.86 0.70 114.93 119.92 2whw h MET 283 Ca -0.00 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2whw h MET 283 Cb 0.82 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2whw h MET 283 CO 0.02 0.89 0.17 -0.07 1.06 0.00 0.00 176.91 178.99 2whw h LEU 284 N 0.91 0.90 -0.02 1.22 3.38 -0.99 -1.24 115.31 119.47 2whw h LEU 284 Ca 0.20 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2whw h LEU 284 Cb 0.34 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2whw h LEU 284 CO 0.00 0.86 -0.70 -0.09 0.09 0.00 0.00 178.44 178.61 2whw h ARG 285 N 0.93 0.51 0.09 1.13 1.12 -0.94 -2.82 114.38 114.40 2whw h ARG 285 Ca 0.20 -0.52 -0.18 0.00 -1.11 0.00 0.00 59.98 58.37 2whw h ARG 285 Cb 0.30 0.14 0.02 0.00 -0.01 0.00 0.00 29.97 30.42 2whw h ARG 285 CO -0.00 1.15 -0.76 -0.92 -3.11 0.00 0.00 179.97 176.33 2whw h TYR 286 N 0.08 0.59 -0.60 2.20 3.20 -0.81 -3.42 116.97 118.20 2whw h TYR 286 Ca -0.08 -0.39 -0.30 0.00 3.14 0.00 0.00 58.73 61.10 2whw h TYR 286 Cb 1.38 -0.04 -0.31 0.00 1.54 0.00 0.00 36.73 39.30 2whw h TYR 286 CO 0.13 1.26 -0.88 0.39 -1.64 0.00 0.00 178.16 177.42 2whw n GLU 287 N -4.14 1.19 -1.06 1.82 -0.58 -0.49 -5.05 120.64 112.33 2whw n GLU 287 Ca -0.13 -2.72 -0.33 0.00 -0.42 0.00 0.00 57.16 53.57 2whw n GLU 287 Cb 0.78 -0.80 0.13 0.00 -0.57 0.00 0.00 31.44 30.98 2whw n GLU 287 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2whw s GLY 288 N -2.44 2.00 0.48 0.62 0.00 -1.06 -4.71 107.32 102.21 2whw s GLY 288 Ca 0.25 0.71 0.28 0.00 0.00 0.00 0.00 44.72 45.96 2whw s GLY 288 CO -0.01 1.12 1.88 -0.56 0.00 0.00 0.00 173.10 175.53 2whw h PRO 289 N -1.11 0.00 -4.74 2.90 0.13 -1.83 -3.41 132.00 123.94 2whw h PRO 289 Ca -0.45 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.98 2whw h PRO 289 Cb 1.28 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.22 2whw h PRO 289 CO 0.46 0.13 0.14 0.08 -0.23 0.00 0.00 178.00 178.58 2whw s VAL 290 N -3.65 4.79 0.05 1.56 1.01 -1.26 -0.27 120.40 122.62 2whw s VAL 290 Ca 0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 2whw s VAL 290 Cb 0.10 -4.50 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 2whw s VAL 290 CO 0.60 -1.15 1.48 -0.08 0.00 0.00 0.00 175.10 175.95 2whw h GLU 291 N 9.21 0.19 -4.35 2.72 4.81 -0.87 -3.40 114.58 122.89 2whw h GLU 291 Ca -0.29 -0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 58.55 2whw h GLU 291 Cb 1.09 -0.02 -0.28 0.00 0.63 0.00 0.00 28.75 30.16 2whw h GLU 291 CO 1.11 0.43 -0.76 -1.12 -0.73 0.00 0.00 179.01 177.94 2whw s SER 292 N -5.69 0.66 0.92 1.04 0.01 -1.08 -1.26 113.70 108.31 2whw s SER 292 Ca -0.14 -0.10 -0.12 0.00 1.31 0.00 0.00 55.95 56.90 2whw s SER 292 Cb 0.05 -0.07 0.14 0.00 0.21 0.00 0.00 66.02 66.35 2whw s SER 292 CO 0.70 0.07 1.10 0.00 0.41 0.00 0.00 173.24 175.52 2whw s ALA 293 N -0.13 1.47 0.92 1.44 0.00 0.39 -4.62 121.76 121.23 2whw s ALA 293 Ca 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 2whw s ALA 293 Cb -0.02 -3.12 0.14 0.00 0.00 0.00 0.00 23.12 20.12 2whw s ALA 293 CO -0.00 -2.43 1.12 0.95 0.00 0.00 0.00 175.76 175.40 2whw s THR 294 N -3.05 2.13 0.28 0.00 -4.23 -1.26 -4.47 115.64 105.05 2whw s THR 294 Ca 0.64 0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.89 2whw s THR 294 Cb -0.17 -2.74 -0.12 0.00 1.34 0.00 0.00 72.50 70.81 2whw s THR 294 CO 0.56 -0.06 1.48 -1.22 -0.54 0.00 0.00 174.62 174.84 2whw n TYR 295 N -3.82 2.52 -4.82 3.99 4.02 -1.26 -4.76 117.16 113.03 2whw n TYR 295 Ca 0.06 0.37 -0.29 0.00 -0.01 0.00 0.00 57.90 58.03 2whw n TYR 295 Cb 0.58 -2.52 -0.14 0.00 -0.02 0.00 0.00 39.34 37.24 2whw n TYR 295 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2whw s ARG 296 N -0.69 1.68 -0.13 -0.72 0.52 -0.54 -4.62 118.95 114.46 2whw s ARG 296 Ca 0.64 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 2whw s ARG 296 Cb -0.57 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.06 2whw s ARG 296 CO 0.51 0.48 -0.12 -0.06 0.02 0.00 0.00 175.30 176.13 2whw s PHE 297 N -0.82 1.95 0.18 -0.53 0.40 0.70 0.17 117.98 120.03 2whw s PHE 297 Ca 0.11 -1.05 -0.31 0.00 -0.60 0.00 0.00 56.93 55.07 2whw s PHE 297 Cb -0.10 -1.47 -0.10 0.00 0.51 0.00 0.00 43.02 41.86 2whw s PHE 297 CO 0.02 -0.61 1.55 -2.14 0.70 0.00 0.00 175.22 174.74 2whw s PRO 298 N 1.50 4.22 0.02 0.24 0.02 -1.25 -1.44 135.00 138.32 2whw s PRO 298 Ca 0.04 2.35 -0.22 0.00 0.02 0.00 0.00 61.00 63.18 2whw s PRO 298 Cb -0.13 -3.15 -0.16 0.00 0.02 0.00 0.00 34.50 31.08 2whw s PRO 298 CO -0.09 -0.58 1.33 0.28 -0.33 0.00 0.00 177.00 177.61 2whw h VAL 299 N 3.95 1.35 -1.93 3.83 2.07 -1.63 0.93 116.25 124.83 2whw h VAL 299 Ca -0.43 -1.23 -0.59 0.00 0.82 0.00 0.00 66.70 65.27 2whw h VAL 299 Cb 1.21 1.95 -0.11 0.00 -1.52 0.00 0.00 31.29 32.81 2whw h VAL 299 CO 0.89 0.35 -0.63 -1.61 0.02 0.00 0.00 177.57 176.59 2whw s GLU 300 N -4.33 2.03 0.70 1.57 2.02 -1.26 -4.55 118.70 114.89 2whw s GLU 300 Ca -0.15 -1.78 -0.16 0.00 0.02 0.00 0.00 54.97 52.90 2whw s GLU 300 Cb 0.04 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.39 2whw s GLU 300 CO 0.73 0.14 1.20 -2.30 0.02 0.00 0.00 175.26 175.04 2whw n PRO 301 N -0.93 0.75 -4.28 0.39 -0.02 -1.26 -4.43 135.00 125.23 2whw n PRO 301 Ca -0.04 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.49 2whw n PRO 301 Cb 0.62 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 2whw n PRO 301 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2whw s VAL 302 N -1.66 1.20 -0.31 -1.45 1.01 -0.44 -4.92 120.40 113.83 2whw s VAL 302 Ca 0.78 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 2whw s VAL 302 Cb -0.35 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2whw s VAL 302 CO 0.45 0.38 0.48 -0.62 0.00 0.00 0.00 175.10 175.79 2whw s ASP 303 N 1.16 6.32 -0.34 3.32 -1.08 -1.26 -0.31 116.67 124.48 2whw s ASP 303 Ca -0.05 0.15 -0.04 0.00 -0.52 0.00 0.00 52.55 52.09 2whw s ASP 303 Cb -0.14 -2.26 0.06 0.00 -1.46 0.00 0.00 42.92 39.12 2whw s ASP 303 CO -0.03 -0.37 0.09 -0.76 0.52 0.00 0.00 175.17 174.62 2whw s LEU 304 N 2.29 4.39 -1.60 -1.34 1.43 0.71 -4.68 118.68 119.87 2whw s LEU 304 Ca 0.18 -1.42 -0.10 0.00 -1.03 0.00 0.00 54.13 51.77 2whw s LEU 304 Cb -0.16 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.35 2whw s LEU 304 CO 0.12 -0.36 0.50 0.47 0.23 0.00 0.00 176.35 177.30 2whw n ASP 305 N 4.68 -1.35 0.00 2.29 8.00 -1.26 -1.22 116.55 127.70 2whw n ASP 305 Ca -0.10 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.31 2whw n ASP 305 Cb 0.43 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.03 2whw n ASP 305 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whw n GLY 306 N -1.78 3.07 3.62 0.44 0.00 -1.26 -5.00 105.19 104.28 2whw n GLY 306 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2whw n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whw s THR 307 N -2.01 4.88 -0.26 2.61 2.01 -0.35 -5.02 115.64 117.49 2whw s THR 307 Ca 0.00 1.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.96 2whw s THR 307 Cb 0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2whw s THR 307 CO 0.00 -0.12 0.76 -0.69 -0.69 0.00 0.00 174.62 173.88 2whw s VAL 308 N 2.75 4.87 -0.26 3.82 1.01 -1.26 -0.21 120.40 131.11 2whw s VAL 308 Ca 0.30 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.46 2whw s VAL 308 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2whw s VAL 308 CO 0.10 -0.09 0.37 -0.63 0.00 0.00 0.00 175.10 174.85 2whw s ILE 309 N 2.77 5.18 0.61 2.22 1.01 0.57 -4.93 121.20 128.63 2whw s ILE 309 Ca 0.32 0.58 -0.19 0.00 0.00 0.00 0.00 60.65 61.36 2whw s ILE 309 Cb -0.15 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2whw s ILE 309 CO 0.09 0.17 1.29 -2.84 0.00 0.00 0.00 174.94 173.65 2whw s PRO 310 N 1.98 2.79 0.15 2.79 0.02 -1.26 -1.33 135.00 140.14 2whw s PRO 310 Ca 0.15 2.06 -0.34 0.00 0.02 0.00 0.00 61.00 62.89 2whw s PRO 310 Cb -0.16 -1.97 -0.16 0.00 0.02 0.00 0.00 34.50 32.24 2whw s PRO 310 CO 0.10 -1.41 1.31 0.00 -0.33 0.00 0.00 177.00 176.67 2whw n ALA 311 N -1.61 -0.37 0.00 -1.55 0.00 -1.26 -2.50 120.51 113.22 2whw n ALA 311 Ca 0.14 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2whw n ALA 311 Cb 0.48 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2whw n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whw n GLY 312 N 2.40 2.51 3.74 0.00 0.00 0.32 -4.84 105.19 109.32 2whw n GLY 312 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2whw n GLY 312 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2whw s ASP 313 N -3.54 3.88 -0.16 1.61 1.11 -1.04 -1.70 116.67 116.83 2whw s ASP 313 Ca 0.00 1.63 -0.20 0.00 0.18 0.00 0.00 52.55 54.15 2whw s ASP 313 Cb 0.00 -2.31 -0.03 0.00 1.07 0.00 0.00 42.92 41.65 2whw s ASP 313 CO 0.00 -2.40 0.60 -0.89 1.18 0.00 0.00 175.17 173.65 2whw s THR 314 N -2.92 5.07 -0.08 -1.27 2.01 -1.26 -3.90 115.64 113.29 2whw s THR 314 Ca 0.63 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.82 2whw s THR 314 Cb -0.18 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 2whw s THR 314 CO 0.57 0.18 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.77 2whw s VAL 315 N 1.45 1.89 -0.24 3.82 1.01 0.13 -0.78 120.40 127.69 2whw s VAL 315 Ca 0.29 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 2whw s VAL 315 Cb -0.16 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2whw s VAL 315 CO 0.11 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.91 2whw s LEU 316 N 0.25 3.06 -0.17 3.92 1.43 0.86 -1.47 118.68 126.55 2whw s LEU 316 Ca -0.14 -0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 51.92 2whw s LEU 316 Cb -0.16 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2whw s LEU 316 CO 0.07 -0.10 1.01 -0.69 0.23 0.00 0.00 176.35 176.87 2whw s VAL 317 N 1.36 4.74 -0.96 -1.59 1.01 -1.26 -1.51 120.40 122.18 2whw s VAL 317 Ca 0.02 2.01 -0.19 0.00 0.00 0.00 0.00 61.98 63.82 2whw s VAL 317 Cb -0.16 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.05 2whw s VAL 317 CO -0.05 -0.09 1.18 -0.69 0.00 0.00 0.00 175.10 175.46 2whw s VAL 318 N 2.62 4.69 0.31 2.92 1.01 -0.26 -0.46 120.40 131.23 2whw s VAL 318 Ca 0.45 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.86 2whw s VAL 318 Cb -0.16 -4.81 0.30 0.00 0.00 0.00 0.00 36.38 31.70 2whw s VAL 318 CO 0.12 -1.55 1.86 -0.07 0.00 0.00 0.00 175.10 175.45 2whw h LEU 319 N 10.54 0.83 -1.13 3.92 3.38 -1.44 -2.10 115.31 129.31 2whw h LEU 319 Ca 0.18 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2whw h LEU 319 Cb 1.01 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2whw h LEU 319 CO 1.14 0.45 0.59 0.00 0.09 0.00 0.00 178.44 180.71 2whw h ALA 320 N 1.56 1.37 0.00 1.53 0.00 -1.44 -0.75 119.26 121.52 2whw h ALA 320 Ca 0.47 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 55.07 2whw h ALA 320 Cb 0.53 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2whw h ALA 320 CO -0.23 0.58 -0.99 0.22 0.00 0.00 0.00 179.25 178.84 2whw h ASP 321 N 1.20 0.70 -0.98 0.00 1.82 -1.69 -2.96 116.42 114.51 2whw h ASP 321 Ca 0.33 -0.56 0.19 0.00 -0.39 0.00 0.00 57.03 56.60 2whw h ASP 321 Cb -0.13 -0.21 -0.11 0.00 0.68 0.00 0.00 39.33 39.56 2whw h ASP 321 CO -0.07 1.36 0.57 0.00 -1.61 0.00 0.00 179.24 179.49 2whw h ALA 322 N 0.60 1.61 0.00 -0.78 0.00 -0.91 -0.91 119.26 118.87 2whw h ALA 322 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2whw h ALA 322 Cb 1.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2whw h ALA 322 CO 0.18 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 180.05 2whw n HIS 323 N -4.81 0.30 -0.55 0.00 8.25 -0.33 -2.71 115.22 115.36 2whw n HIS 323 Ca 0.23 0.09 0.09 0.00 -0.26 0.00 0.00 57.72 57.87 2whw n HIS 323 Cb 0.58 -0.65 0.31 0.00 1.12 0.00 0.00 29.99 31.34 2whw n HIS 323 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2whw n ARG 324 N -1.75 3.36 -2.66 -0.41 5.12 -0.37 -4.83 116.66 115.11 2whw n ARG 324 Ca 0.06 -2.71 -0.43 0.00 -1.93 0.00 0.00 57.85 52.84 2whw n ARG 324 Cb 0.33 -1.73 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 2whw n ARG 324 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2whw s THR 325 N -1.68 4.38 0.31 0.55 2.01 -1.07 -4.78 115.64 115.37 2whw s THR 325 Ca 0.45 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.81 2whw s THR 325 Cb 0.28 -4.49 0.16 0.00 0.01 0.00 0.00 72.50 68.46 2whw s THR 325 CO 0.23 -0.76 1.86 1.55 -0.69 0.00 0.00 174.62 176.80 2whw h PRO 326 N 8.75 0.67 0.00 4.92 0.13 -1.92 0.30 132.00 144.85 2whw h PRO 326 Ca -0.22 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2whw h PRO 326 Cb 1.06 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 2whw h PRO 326 CO 1.07 0.64 -0.08 0.93 -0.23 0.00 0.00 178.00 180.33 2whw h GLU 327 N 0.64 0.00 0.03 0.86 3.07 -1.99 -2.85 114.58 114.35 2whw h GLU 327 Ca 0.14 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.63 2whw h GLU 327 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 2whw h GLU 327 CO 0.00 0.08 -2.27 -2.13 -1.40 0.00 0.00 179.01 173.29 2whw n ARG 328 N -4.25 0.68 -3.76 2.33 3.00 -0.49 -4.75 116.66 109.41 2whw n ARG 328 Ca -0.03 0.16 -0.29 0.00 -0.00 0.00 0.00 57.85 57.69 2whw n ARG 328 Cb 0.16 -1.59 -0.13 0.00 0.00 0.00 0.00 32.46 30.89 2whw n ARG 328 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2whw s PHE 329 N -2.53 2.27 0.34 -0.14 0.40 0.94 -5.06 117.98 114.21 2whw s PHE 329 Ca -0.24 -2.61 -0.28 0.00 -0.60 0.00 0.00 56.93 53.19 2whw s PHE 329 Cb 0.08 -2.09 -0.12 0.00 0.51 0.00 0.00 43.02 41.40 2whw s PHE 329 CO 0.71 -0.77 1.33 -2.30 0.70 0.00 0.00 175.22 174.90 2whw n PRO 330 N 3.38 2.23 -3.56 0.24 -0.02 -1.13 -2.20 135.00 133.94 2whw n PRO 330 Ca 0.09 0.78 -0.21 0.00 -2.02 0.00 0.00 63.50 62.14 2whw n PRO 330 Cb 0.34 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.48 2whw n PRO 330 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2whw n ASP 331 N 0.80 -3.13 0.22 2.55 4.64 -1.26 -4.86 116.55 115.52 2whw n ASP 331 Ca 0.04 -0.80 0.15 0.00 -1.38 0.00 0.00 54.79 52.81 2whw n ASP 331 Cb 0.36 -4.37 0.80 0.00 -1.04 0.00 0.00 41.12 36.87 2whw n ASP 331 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2whw h PRO 332 N -1.71 0.00 -0.01 -0.67 0.13 -1.74 -0.57 132.00 127.43 2whw h PRO 332 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2whw h PRO 332 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2whw h PRO 332 CO 0.51 0.00 -0.16 0.72 -0.23 0.00 0.00 178.00 178.84 2whw n HIS 333 N -4.02 0.00 -2.92 1.56 8.25 -1.26 -4.79 115.22 112.04 2whw n HIS 333 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2whw n HIS 333 Cb 0.25 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 2whw n HIS 333 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2whw s ARG 334 N -2.37 4.51 -0.48 -0.41 3.52 -0.22 -5.02 118.95 118.48 2whw s ARG 334 Ca 0.29 1.12 -0.26 0.00 -0.13 0.00 0.00 55.73 56.75 2whw s ARG 334 Cb 0.20 -3.41 0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2whw s ARG 334 CO 0.47 0.13 0.96 0.12 -0.81 0.00 0.00 175.30 176.16 2whw s PHE 335 N 0.48 2.88 -0.20 5.12 5.36 -1.26 -5.00 117.98 125.36 2whw s PHE 335 Ca 0.42 0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 56.74 2whw s PHE 335 Cb -0.20 -4.06 0.06 0.00 -0.34 0.00 0.00 43.02 38.49 2whw s PHE 335 CO 0.23 -1.17 0.04 0.34 -1.46 0.00 0.00 175.22 173.20 2whw s ASP 336 N 2.37 3.00 0.00 6.13 2.15 -1.26 -4.91 116.67 124.15 2whw s ASP 336 Ca 0.38 -0.88 0.05 0.00 0.43 0.00 0.00 52.55 52.52 2whw s ASP 336 Cb -0.10 -0.62 0.23 0.00 -0.30 0.00 0.00 42.92 42.13 2whw s ASP 336 CO 0.26 -0.31 1.10 2.30 -0.17 0.00 0.00 175.17 178.35 2whw n ILE 337 N 5.03 1.41 0.09 4.11 -5.35 -1.26 -1.51 119.36 121.88 2whw n ILE 337 Ca -0.09 0.35 0.06 0.00 -0.27 0.00 0.00 62.75 62.81 2whw n ILE 337 Cb 0.47 -1.27 0.12 0.00 -1.74 0.00 0.00 39.64 37.22 2whw n ILE 337 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2whw n ARG 338 N -1.42 1.99 -0.88 6.28 1.74 -1.26 -3.99 116.66 119.12 2whw n ARG 338 Ca 0.02 -1.74 -0.30 0.00 -0.77 0.00 0.00 57.85 55.06 2whw n ARG 338 Cb 0.05 -1.27 0.18 0.00 -1.02 0.00 0.00 32.46 30.41 2whw n ARG 338 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2whw s ARG 339 N -1.00 0.51 -0.34 5.56 1.70 -0.57 -4.92 118.95 119.89 2whw s ARG 339 Ca 0.21 1.00 -0.29 0.00 -0.47 0.00 0.00 55.73 56.18 2whw s ARG 339 Cb 0.12 -1.71 0.02 0.00 -0.57 0.00 0.00 34.95 32.81 2whw s ARG 339 CO 0.16 -2.81 1.08 0.34 -1.08 0.00 0.00 175.30 172.99 2whw s ASP 340 N -2.96 6.88 0.00 -2.89 3.68 -1.26 -4.87 116.67 115.25 2whw s ASP 340 Ca 0.66 0.95 0.22 0.00 2.13 0.00 0.00 52.55 56.52 2whw s ASP 340 Cb -0.21 -2.54 0.19 0.00 -1.45 0.00 0.00 42.92 38.91 2whw s ASP 340 CO 0.60 -0.93 1.22 0.35 0.13 0.00 0.00 175.17 176.54 2whw n THR 341 N 6.00 0.03 -1.66 1.71 -2.24 -1.26 -5.01 114.28 111.85 2whw n THR 341 Ca 0.12 -0.51 -0.47 0.00 -2.27 0.00 0.00 64.05 60.92 2whw n THR 341 Cb 0.47 1.44 -0.04 0.00 -2.10 0.00 0.00 70.33 70.10 2whw n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2whw n ALA 342 N 1.27 1.02 -0.28 6.98 0.00 -1.26 -2.22 120.51 126.01 2whw n ALA 342 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2whw n ALA 342 Cb 0.56 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2whw n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whw n GLY 343 N 3.18 0.78 3.63 0.00 0.00 -1.26 -5.07 105.19 106.45 2whw n GLY 343 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2whw n GLY 343 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2whw s HIS 344 N -2.21 1.89 -0.16 1.61 -3.43 -0.94 -4.96 115.29 107.09 2whw s HIS 344 Ca 0.00 1.20 0.15 0.00 -0.80 0.00 0.00 55.06 55.61 2whw s HIS 344 Cb 0.00 -3.19 0.35 0.00 -1.43 0.00 0.00 32.58 28.31 2whw s HIS 344 CO 0.00 -3.04 1.18 1.28 -2.00 0.00 0.00 174.74 172.16 2whw n LEU 345 N -4.32 2.43 0.25 5.38 4.77 -1.26 -4.71 117.00 119.54 2whw n LEU 345 Ca 0.06 -3.39 0.11 0.00 -0.03 0.00 0.00 56.01 52.76 2whw n LEU 345 Cb 0.55 -0.46 0.66 0.00 -2.33 0.00 0.00 43.42 41.85 2whw n LEU 345 CO 0.56 1.01 0.94 0.00 -1.33 0.00 0.00 177.39 178.57 2whw h ALA 346 N 0.48 1.29 -0.34 -1.18 0.00 -1.93 -0.70 119.26 116.88 2whw h ALA 346 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2whw h ALA 346 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2whw h ALA 346 CO 0.00 0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.63 2whw n PHE 347 N -3.68 0.45 -1.49 0.00 0.99 -1.26 -4.74 117.46 107.72 2whw n PHE 347 Ca -0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.12 2whw n PHE 347 Cb 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.74 2whw n PHE 347 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2whw n GLY 348 N 1.02 -1.48 3.65 1.37 0.00 -0.27 -0.30 105.19 109.18 2whw n GLY 348 Ca 0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.42 2whw n GLY 348 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2whw s HIS 349 N 0.00 -0.19 0.00 1.61 2.46 -1.26 -4.66 115.29 113.25 2whw s HIS 349 Ca 0.00 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.96 2whw s HIS 349 Cb 0.00 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2whw s HIS 349 CO 0.00 -0.09 0.00 0.41 -2.47 0.00 0.00 174.74 172.59 2whw n GLY 350 N 2.20 -0.56 0.20 1.59 0.00 -1.26 -3.74 105.19 103.63 2whw n GLY 350 Ca -0.13 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.14 2whw n GLY 350 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2whw h ILE 351 N 0.00 0.00 -0.59 -0.61 3.07 -1.89 -2.35 117.51 115.13 2whw h ILE 351 Ca 0.00 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.91 2whw h ILE 351 Cb 0.00 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 2whw h ILE 351 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 2whw n HIS 352 N -2.72 0.83 -1.65 0.16 8.25 -1.26 -4.98 115.22 113.85 2whw n HIS 352 Ca 0.02 -0.40 -0.48 0.00 -0.26 0.00 0.00 57.72 56.60 2whw n HIS 352 Cb 0.33 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 2whw n HIS 352 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2whw n PHE 353 N 1.22 2.05 -1.16 4.41 7.35 -0.89 -4.65 117.46 125.79 2whw n PHE 353 Ca 0.20 0.36 -0.46 0.00 -0.76 0.00 0.00 57.45 56.80 2whw n PHE 353 Cb 0.52 -2.49 -0.07 0.00 0.35 0.00 0.00 39.48 37.79 2whw n PHE 353 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2whw h ILE 355 N 3.51 0.38 -0.20 0.00 2.10 -1.90 -3.20 117.51 118.19 2whw h ILE 355 Ca -0.28 -1.41 0.00 0.00 1.08 0.00 0.00 64.86 64.25 2whw h ILE 355 Cb 0.93 2.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.75 2whw h ILE 355 CO 0.67 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 178.55 2whw n GLY 356 N 0.94 0.21 0.29 8.18 0.00 -1.26 -4.52 105.19 109.02 2whw n GLY 356 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 2whw n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whw h ALA 357 N 3.80 0.97 -0.50 4.61 0.00 -1.88 0.25 119.26 126.51 2whw h ALA 357 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2whw h ALA 357 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2whw h ALA 357 CO 0.00 0.61 -0.16 -1.35 0.00 0.00 0.00 179.25 178.35 2whw h PRO 358 N 0.78 1.00 -0.08 0.00 0.11 -1.82 -1.44 132.00 130.55 2whw h PRO 358 Ca 0.14 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2whw h PRO 358 Cb 0.56 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 2whw h PRO 358 CO 0.03 1.08 0.06 1.25 -0.21 0.00 0.00 178.00 180.21 2whw h LEU 359 N 0.86 0.10 -0.68 2.35 5.85 -1.65 -0.91 115.31 121.23 2whw h LEU 359 Ca 0.12 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2whw h LEU 359 Cb 0.74 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2whw h LEU 359 CO 0.06 0.07 0.42 0.00 -0.34 0.00 0.00 178.44 178.64 2whw h ALA 360 N 1.03 0.89 -0.72 1.25 0.00 -0.43 -1.92 119.26 119.36 2whw h ALA 360 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2whw h ALA 360 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2whw h ALA 360 CO -0.01 0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.63 2whw h ARG 361 N 0.80 1.12 0.62 0.00 3.08 -1.13 -1.27 114.38 117.61 2whw h ARG 361 Ca 0.28 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2whw h ARG 361 Cb 0.05 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.95 2whw h ARG 361 CO -0.12 0.96 -0.30 1.25 -1.07 0.00 0.00 179.97 180.69 2whw h LEU 362 N 1.07 -0.71 -0.22 3.04 5.85 -0.74 0.87 115.31 124.47 2whw h LEU 362 Ca 0.23 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2whw h LEU 362 Cb 0.31 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2whw h LEU 362 CO -0.01 -0.50 0.07 -0.33 -0.34 0.00 0.00 178.44 177.33 2whw h GLU 363 N -0.85 0.16 -0.70 1.25 5.08 -1.30 -1.86 114.58 116.37 2whw h GLU 363 Ca -0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2whw h GLU 363 Cb 0.64 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2whw h GLU 363 CO 0.14 0.11 0.32 0.00 -1.00 0.00 0.00 179.01 178.58 2whw h ALA 364 N 1.14 0.90 -0.28 3.43 0.00 -1.17 -0.57 119.26 122.71 2whw h ALA 364 Ca 0.09 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2whw h ALA 364 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2whw h ALA 364 CO -0.10 0.48 -0.29 0.00 0.00 0.00 0.00 179.25 179.34 2whw h ARG 365 N 0.98 0.58 -0.11 0.00 3.08 -0.31 -1.55 114.38 117.05 2whw h ARG 365 Ca 0.24 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 2whw h ARG 365 Cb 0.14 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.18 2whw h ARG 365 CO -0.03 0.81 -0.52 0.82 -1.07 0.00 0.00 179.97 179.97 2whw h ILE 366 N 0.50 1.36 0.28 2.04 2.04 -1.17 -2.59 117.51 119.97 2whw h ILE 366 Ca 0.06 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 2whw h ILE 366 Cb 0.75 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2whw h ILE 366 CO 0.06 0.56 -0.16 0.00 0.00 0.00 0.00 178.15 178.61 2whw h ALA 367 N 0.48 -0.41 -0.24 1.87 0.00 -0.86 -1.06 119.26 119.05 2whw h ALA 367 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2whw h ALA 367 Cb 1.17 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2whw h ALA 367 CO 0.11 -0.73 0.15 0.28 0.00 0.00 0.00 179.25 179.05 2whw h VAL 368 N -0.41 1.08 -0.47 0.00 2.07 -1.35 -1.50 116.25 115.67 2whw h VAL 368 Ca -0.03 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2whw h VAL 368 Cb 0.34 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2whw h VAL 368 CO 0.04 0.08 0.23 -0.09 0.02 0.00 0.00 177.57 177.85 2whw h ARG 369 N 0.30 0.45 -0.14 1.57 2.43 -1.42 -2.25 114.38 115.32 2whw h ARG 369 Ca 0.09 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2whw h ARG 369 Cb -0.00 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2whw h ARG 369 CO -0.02 0.30 -0.07 0.00 -1.51 0.00 0.00 179.97 178.67 2whw h ALA 370 N 1.25 0.05 -0.70 2.80 0.00 -0.22 -0.83 119.26 121.61 2whw h ALA 370 Ca 0.20 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2whw h ALA 370 Cb 0.11 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2whw h ALA 370 CO -0.14 -0.52 0.46 -0.07 0.00 0.00 0.00 179.25 178.98 2whw h LEU 371 N -0.06 0.68 0.11 0.00 3.38 -1.10 -0.49 115.31 117.82 2whw h LEU 371 Ca 0.08 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 2whw h LEU 371 Cb 0.18 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2whw h LEU 371 CO -0.18 0.45 -1.24 -0.07 0.09 0.00 0.00 178.44 177.49 2whw h LEU 372 N 0.78 0.48 -0.32 1.67 3.38 -1.10 -1.50 115.31 118.69 2whw h LEU 372 Ca 0.29 -0.50 -0.15 0.00 0.09 0.00 0.00 57.88 57.60 2whw h LEU 372 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2whw h LEU 372 CO -0.09 1.38 -0.74 -0.33 0.09 0.00 0.00 178.44 178.75 2whw h GLU 373 N 0.10 0.00 -0.00 1.13 5.08 -0.80 -3.37 114.58 116.71 2whw h GLU 373 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2whw h GLU 373 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2whw h GLU 373 CO 0.21 0.74 -0.27 0.54 -1.00 0.00 0.00 179.01 179.23 2whw n ARG 374 N -3.47 4.08 -3.76 2.33 1.74 -0.22 -4.78 116.66 112.57 2whw n ARG 374 Ca -0.00 -0.14 -0.36 0.00 -0.77 0.00 0.00 57.85 56.58 2whw n ARG 374 Cb 0.77 -0.87 -0.11 0.00 -1.02 0.00 0.00 32.46 31.23 2whw n ARG 374 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2whw s PRO 376 N 0.64 4.47 -1.16 0.00 0.05 -1.26 -2.99 135.00 134.76 2whw s PRO 376 Ca 0.12 1.84 0.00 0.00 0.05 0.00 0.00 61.00 63.01 2whw s PRO 376 Cb -0.22 -3.28 0.00 0.00 0.05 0.00 0.00 34.50 31.05 2whw s PRO 376 CO -0.04 -0.15 0.00 -0.25 0.05 0.00 0.00 177.00 176.61 2whw n ASP 377 N 3.05 -4.14 -4.64 6.66 9.92 -1.26 -2.18 116.55 123.95 2whw n ASP 377 Ca 0.06 0.05 -0.45 0.00 -0.53 0.00 0.00 54.79 53.92 2whw n ASP 377 Cb 0.45 -3.23 -0.02 0.00 -0.64 0.00 0.00 41.12 37.67 2whw n ASP 377 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2whw n LEU 378 N -1.78 2.64 -3.79 0.64 7.94 -1.16 -4.54 117.00 116.94 2whw n LEU 378 Ca -0.15 1.16 -0.10 0.00 -1.11 0.00 0.00 56.01 55.81 2whw n LEU 378 Cb 0.58 -1.37 -0.07 0.00 0.53 0.00 0.00 43.42 43.09 2whw n LEU 378 CO 0.18 -0.80 -0.02 0.00 -1.11 0.00 0.00 177.39 175.65 2whw s ALA 379 N -0.38 -0.49 0.73 1.96 0.00 -0.48 -5.01 121.76 118.09 2whw s ALA 379 Ca 0.66 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.19 2whw s ALA 379 Cb -0.69 0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.91 2whw s ALA 379 CO 0.54 -0.48 1.14 -0.51 0.00 0.00 0.00 175.76 176.44 2whw s LEU 380 N -2.50 3.23 -0.31 0.00 1.43 -1.26 -1.37 118.68 117.89 2whw s LEU 380 Ca 0.00 2.09 0.16 0.00 -1.03 0.00 0.00 54.13 55.35 2whw s LEU 380 Cb 0.02 -4.56 0.47 0.00 0.03 0.00 0.00 46.19 42.15 2whw s LEU 380 CO -0.08 -2.07 1.06 -0.67 0.23 0.00 0.00 176.35 174.83 2whw n ASP 381 N -2.94 2.46 -3.14 2.29 4.64 0.07 -4.61 116.55 115.32 2whw n ASP 381 Ca 0.11 -2.77 -0.07 0.00 -1.38 0.00 0.00 54.79 50.68 2whw n ASP 381 Cb 0.52 -0.48 0.02 0.00 -1.04 0.00 0.00 41.12 40.14 2whw n ASP 381 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2whw s VAL 382 N -3.92 0.00 -0.01 5.18 0.11 -1.26 -4.80 120.40 115.69 2whw s VAL 382 Ca 0.33 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 2whw s VAL 382 Cb 0.40 -2.81 -0.01 0.00 -1.53 0.00 0.00 36.38 32.43 2whw s VAL 382 CO -0.02 0.00 -0.10 -0.94 -3.33 0.00 0.00 175.10 170.71 2whw s SER 383 N -3.17 1.18 0.13 3.54 1.04 -1.26 -5.01 113.70 110.15 2whw s SER 383 Ca 0.17 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.48 2whw s SER 383 Cb -0.04 -0.18 0.45 0.00 0.10 0.00 0.00 66.02 66.35 2whw s SER 383 CO 0.09 0.11 0.60 -2.65 0.98 0.00 0.00 173.24 172.37 2whw n PRO 384 N 2.94 -0.03 0.09 4.02 -0.02 -1.26 0.99 135.00 141.73 2whw n PRO 384 Ca -0.15 0.54 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 2whw n PRO 384 Cb 0.56 -0.93 0.42 0.00 -0.02 0.00 0.00 33.50 33.53 2whw n PRO 384 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2whw h GLY 385 N 0.00 0.36 0.85 -1.23 0.00 -2.07 -1.99 103.07 98.99 2whw h GLY 385 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2whw h GLY 385 CO -0.31 0.17 -0.65 -1.84 0.00 0.00 0.00 176.54 173.91 2whw n GLU 386 N -4.37 0.08 -1.91 4.80 0.28 0.28 -4.89 120.64 114.90 2whw n GLU 386 Ca 0.00 0.01 -0.40 0.00 -0.16 0.00 0.00 57.16 56.62 2whw n GLU 386 Cb 0.18 -1.54 0.01 0.00 1.43 0.00 0.00 31.44 31.52 2whw n GLU 386 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2whw s LEU 387 N -3.28 4.18 -0.14 -1.84 1.43 -0.75 -4.96 118.68 113.31 2whw s LEU 387 Ca 0.09 2.82 -0.00 0.00 -1.03 0.00 0.00 54.13 56.01 2whw s LEU 387 Cb 0.16 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.53 2whw s LEU 387 CO 0.74 -1.00 -0.09 -0.69 0.23 0.00 0.00 176.35 175.53 2whw s VAL 388 N -1.22 1.26 -0.23 -1.59 1.01 -1.26 -5.03 120.40 113.35 2whw s VAL 388 Ca 0.58 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2whw s VAL 388 Cb -0.42 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2whw s VAL 388 CO 0.54 0.33 0.51 0.26 0.00 0.00 0.00 175.10 176.75 2whw s TRP 389 N 1.60 3.32 0.46 5.22 0.52 -1.26 -0.37 118.94 128.43 2whw s TRP 389 Ca 0.04 0.71 -0.24 0.00 0.02 0.00 0.00 56.10 56.62 2whw s TRP 389 Cb -0.13 -2.69 -0.08 0.00 -1.15 0.00 0.00 33.47 29.41 2whw s TRP 389 CO -0.09 -0.18 1.32 2.48 0.02 0.00 0.00 176.95 180.49 2whw n TYR 390 N 5.13 2.25 0.40 -1.98 0.18 -0.81 -4.82 117.16 117.51 2whw n TYR 390 Ca -0.04 0.47 0.06 0.00 1.88 0.00 0.00 57.90 60.26 2whw n TYR 390 Cb 0.50 -2.38 0.28 0.00 -0.38 0.00 0.00 39.34 37.35 2whw n TYR 390 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 2whw n PRO 391 N -0.28 0.02 -1.67 -3.48 -0.04 -1.26 -4.74 135.00 123.55 2whw n PRO 391 Ca 0.07 0.31 -0.57 0.00 -0.04 0.00 0.00 63.50 63.28 2whw n PRO 391 Cb 0.41 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 2whw n PRO 391 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2whw n ASN 392 N -1.57 1.93 0.21 3.54 2.85 -1.26 -4.87 115.26 116.09 2whw n ASN 392 Ca 0.03 1.10 0.14 0.00 -0.11 0.00 0.00 54.58 55.74 2whw n ASN 392 Cb 0.14 -1.12 0.44 0.00 1.24 0.00 0.00 39.78 40.48 2whw n ASN 392 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2whw h PRO 393 N 5.98 0.00 0.08 1.20 0.13 -1.99 -3.15 132.00 134.24 2whw h PRO 393 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2whw h PRO 393 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 2whw h PRO 393 CO 0.89 0.00 -0.47 1.98 -0.23 0.00 0.00 178.00 180.17 2whw h MET 394 N 0.00 0.18 -5.68 0.86 4.05 -1.89 -3.23 114.93 109.21 2whw h MET 394 Ca 0.00 -0.30 -0.66 0.00 -0.28 0.00 0.00 59.70 58.46 2whw h MET 394 Cb 0.69 0.11 -0.13 0.00 -0.80 0.00 0.00 31.60 31.47 2whw h MET 394 CO 0.00 1.13 -0.57 0.42 0.23 0.00 0.00 176.91 178.12 2whw s ILE 395 N -2.42 4.78 -0.40 1.77 -1.09 -1.19 -0.28 121.20 122.36 2whw s ILE 395 Ca -0.16 -0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.10 2whw s ILE 395 Cb -0.01 -3.07 0.05 0.00 -1.58 0.00 0.00 42.46 37.85 2whw s ILE 395 CO 0.77 0.57 0.25 -0.60 -1.23 0.00 0.00 174.94 174.70 2whw s ARG 396 N -0.58 2.74 0.03 2.79 6.06 0.63 -4.54 118.95 126.08 2whw s ARG 396 Ca 0.11 -1.27 -0.20 0.00 -2.50 0.00 0.00 55.73 51.87 2whw s ARG 396 Cb -0.12 -3.79 0.04 0.00 0.06 0.00 0.00 34.95 31.14 2whw s ARG 396 CO 0.02 -0.84 0.45 0.20 -2.50 0.00 0.00 175.30 172.63 2whw s GLY 397 N 1.89 -0.32 0.17 8.12 0.00 -1.26 -4.47 107.32 111.46 2whw s GLY 397 Ca 0.02 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.14 2whw s GLY 397 CO 0.05 0.19 0.42 1.08 0.00 0.00 0.00 173.10 174.84 2whw s LEU 398 N -1.84 4.24 0.20 0.66 1.43 -1.26 -1.93 118.68 120.17 2whw s LEU 398 Ca -0.07 0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 53.66 2whw s LEU 398 Cb -0.01 -3.42 0.14 0.00 0.03 0.00 0.00 46.19 42.93 2whw s LEU 398 CO -0.00 0.02 1.58 0.11 0.23 0.00 0.00 176.35 178.28 2whw h LYS 399 N 2.73 0.76 -2.72 1.70 1.79 -1.08 -3.46 116.57 116.29 2whw h LYS 399 Ca -0.46 -0.35 -0.06 0.00 -2.18 0.00 0.00 60.65 57.60 2whw h LYS 399 Cb 1.17 -0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 31.64 2whw h LYS 399 CO 0.72 0.97 0.07 0.00 -1.08 0.00 0.00 179.45 180.12 2whw s ALA 400 N -4.46 -1.39 -0.42 3.86 0.00 -1.26 -4.99 121.76 113.09 2whw s ALA 400 Ca -0.09 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2whw s ALA 400 Cb 0.12 0.40 0.13 0.00 0.00 0.00 0.00 23.12 23.77 2whw s ALA 400 CO 0.84 -0.52 0.22 -1.17 0.00 0.00 0.00 175.76 175.13 2whw s LEU 401 N -1.97 2.66 0.02 0.00 2.96 -1.26 -4.74 118.68 116.35 2whw s LEU 401 Ca -0.05 -2.49 -0.30 0.00 -0.22 0.00 0.00 54.13 51.06 2whw s LEU 401 Cb -0.01 -1.02 -0.06 0.00 0.50 0.00 0.00 46.19 45.60 2whw s LEU 401 CO -0.02 -0.29 1.47 -2.84 -1.32 0.00 0.00 176.35 173.35 2whw s PRO 402 N 0.52 4.26 0.29 0.98 0.02 -1.26 -0.61 135.00 139.20 2whw s PRO 402 Ca 0.17 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.32 2whw s PRO 402 Cb -0.24 -3.57 -0.06 0.00 0.02 0.00 0.00 34.50 30.65 2whw s PRO 402 CO -0.02 -0.62 -0.08 0.96 -0.33 0.00 0.00 177.00 176.91 2whw s ILE 403 N 2.45 1.84 0.10 2.83 -4.36 0.01 -0.75 121.20 123.32 2whw s ILE 403 Ca 0.66 -2.17 -0.12 0.00 -0.26 0.00 0.00 60.65 58.76 2whw s ILE 403 Cb -0.34 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 40.94 2whw s ILE 403 CO 0.28 -0.31 0.29 0.00 0.24 0.00 0.00 174.94 175.44 2whw s ARG 404 N -3.68 0.94 0.32 0.37 1.70 -0.47 -2.44 118.95 115.68 2whw s ARG 404 Ca 0.30 -0.82 -0.05 0.00 -0.47 0.00 0.00 55.73 54.69 2whw s ARG 404 Cb 0.02 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 2whw s ARG 404 CO 0.13 -0.33 0.47 1.67 -1.08 0.00 0.00 175.30 176.15 2whw s TRP 405 N -3.75 0.91 -2.06 5.89 -2.14 -0.43 -1.38 118.94 115.99 2whw s TRP 405 Ca 0.03 -1.18 0.32 0.00 2.66 0.00 0.00 56.10 57.93 2whw s TRP 405 Cb 0.03 -0.03 1.81 0.00 -3.10 0.00 0.00 33.47 32.19 2whw s TRP 405 CO -0.11 -1.10 2.18 -2.13 -2.66 0.00 0.00 176.95 173.13