#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwi s TYR 2 N 0.00 3.53 0.05 1.12 2.02 -1.25 -5.05 117.35 117.76 1uwi s TYR 2 Ca 0.00 -2.95 -0.04 0.00 -0.37 0.00 0.00 57.07 53.71 1uwi s TYR 2 Cb 0.00 -3.09 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 1uwi s TYR 2 CO 0.00 -0.76 0.27 -1.12 -1.57 0.00 0.00 175.55 172.37 1uwi s SER 3 N 0.02 6.45 0.25 2.29 0.01 -1.26 -1.43 113.70 120.03 1uwi s SER 3 Ca 0.21 0.47 0.06 0.00 1.31 0.00 0.00 55.95 58.00 1uwi s SER 3 Cb -0.15 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1uwi s SER 3 CO -0.07 0.19 0.33 -0.36 0.41 0.00 0.00 173.24 173.75 1uwi s PHE 4 N -1.43 3.36 0.57 2.43 0.08 -0.59 -5.00 117.98 117.40 1uwi s PHE 4 Ca 0.32 -0.05 -0.19 0.00 0.12 0.00 0.00 56.93 57.13 1uwi s PHE 4 Cb -0.13 -1.57 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 1uwi s PHE 4 CO 0.21 0.42 0.83 -2.30 -0.10 0.00 0.00 175.22 174.28 1uwi n PRO 5 N -1.38 0.82 -0.31 0.24 -0.02 -1.26 -4.87 135.00 128.22 1uwi n PRO 5 Ca -0.08 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 1uwi n PRO 5 Cb 0.57 -2.00 0.30 0.00 -0.02 0.00 0.00 33.50 32.34 1uwi n PRO 5 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1uwi h ASN 6 N 0.53 0.82 0.66 2.55 2.35 -1.97 -1.06 115.58 119.46 1uwi h ASN 6 Ca -0.47 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1uwi h ASN 6 Cb 1.37 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1uwi h ASN 6 CO 0.50 0.44 -0.04 -1.54 -1.65 0.00 0.00 177.43 175.14 1uwi n SER 7 N -4.58 0.10 -4.74 5.81 3.41 -1.26 -4.87 113.62 107.49 1uwi n SER 7 Ca 0.17 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 1uwi n SER 7 Cb 0.37 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1uwi n SER 7 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1uwi s PHE 8 N -2.71 3.13 -0.01 7.33 2.19 -0.40 -4.95 117.98 122.56 1uwi s PHE 8 Ca 0.23 1.06 0.08 0.00 0.33 0.00 0.00 56.93 58.63 1uwi s PHE 8 Cb 0.20 -3.74 -0.02 0.00 -1.31 0.00 0.00 43.02 38.15 1uwi s PHE 8 CO 0.50 -2.42 -0.25 1.03 1.83 0.00 0.00 175.22 175.90 1uwi s ARG 9 N -0.02 2.09 -0.15 10.12 0.52 -0.91 -4.94 118.95 125.67 1uwi s ARG 9 Ca 0.60 -0.94 -0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1uwi s ARG 9 Cb -0.40 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 1uwi s ARG 9 CO 0.39 0.56 -0.02 -0.06 0.02 0.00 0.00 175.30 176.19 1uwi s PHE 10 N -0.65 3.08 0.00 -0.53 0.08 -1.26 -1.21 117.98 117.49 1uwi s PHE 10 Ca 0.10 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1uwi s PHE 10 Cb -0.10 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1uwi s PHE 10 CO -0.00 0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 1uwi n GLY 11 N 3.35 3.68 3.33 4.36 0.00 0.08 -0.72 105.19 119.27 1uwi n GLY 11 Ca -0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1uwi n GLY 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uwi s TRP 12 N -0.31 -0.06 0.24 1.61 -2.14 -1.10 -1.62 118.94 115.56 1uwi s TRP 12 Ca 0.00 -0.28 0.11 0.00 2.66 0.00 0.00 56.10 58.59 1uwi s TRP 12 Cb 0.00 0.19 -0.05 0.00 -3.10 0.00 0.00 33.47 30.52 1uwi s TRP 12 CO 0.00 -0.71 -0.16 -1.12 -2.66 0.00 0.00 176.95 172.29 1uwi s SER 13 N -2.84 3.80 0.02 -2.66 0.01 -1.00 -1.81 113.70 109.23 1uwi s SER 13 Ca 0.06 -0.85 -0.28 0.00 1.31 0.00 0.00 55.95 56.19 1uwi s SER 13 Cb 0.02 -0.44 0.07 0.00 0.21 0.00 0.00 66.02 65.89 1uwi s SER 13 CO -0.09 0.07 0.67 -1.58 0.41 0.00 0.00 173.24 172.72 1uwi s GLN 14 N -3.18 1.11 0.06 12.44 0.74 -0.72 -2.29 119.66 127.84 1uwi s GLN 14 Ca 0.27 -0.02 0.08 0.00 0.05 0.00 0.00 55.36 55.73 1uwi s GLN 14 Cb -0.07 0.52 -0.03 0.00 1.10 0.00 0.00 33.01 34.53 1uwi s GLN 14 CO 0.14 -0.41 -0.19 0.00 -0.55 0.00 0.00 175.29 174.28 1uwi s ALA 15 N -2.16 2.58 0.06 1.58 0.00 -1.26 -4.14 121.76 118.42 1uwi s ALA 15 Ca -0.06 -1.25 -0.32 0.00 0.00 0.00 0.00 51.96 50.33 1uwi s ALA 15 Cb -0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 23.12 22.25 1uwi s ALA 15 CO 0.01 0.57 1.52 0.78 0.00 0.00 0.00 175.76 178.64 1uwi h GLY 16 N 4.32 -0.95 1.21 0.00 0.00 -1.93 -1.85 103.07 103.88 1uwi h GLY 16 Ca -0.48 0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.25 1uwi h GLY 16 CO 0.46 -0.35 0.41 -2.75 0.00 0.00 0.00 176.54 174.32 1uwi h PHE 17 N -0.98 0.67 0.00 5.60 3.57 -1.94 0.25 116.94 124.11 1uwi h PHE 17 Ca -0.09 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 1uwi h PHE 17 Cb 0.72 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1uwi h PHE 17 CO -0.02 0.37 -0.58 1.96 -2.23 0.00 0.00 178.31 177.81 1uwi h GLN 18 N 0.68 0.00 0.00 1.11 4.20 -1.80 -3.41 115.11 115.89 1uwi h GLN 18 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1uwi h GLN 18 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1uwi h GLN 18 CO -0.08 0.58 -0.95 0.43 -0.67 0.00 0.00 178.83 178.15 1uwi n SER 19 N -3.34 4.73 0.44 1.46 7.64 -0.70 -1.42 113.62 122.43 1uwi n SER 19 Ca 0.01 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.70 1uwi n SER 19 Cb 0.72 0.74 -0.09 0.00 -1.01 0.00 0.00 64.21 64.57 1uwi n SER 19 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1uwi h GLU 20 N 0.00 -1.10 -7.22 1.43 5.08 -0.68 -0.54 114.58 111.55 1uwi h GLU 20 Ca 0.00 0.07 -0.53 0.00 -1.00 0.00 0.00 59.36 57.91 1uwi h GLU 20 Cb 0.41 0.25 0.16 0.00 0.50 0.00 0.00 28.75 30.07 1uwi h GLU 20 CO 0.00 -0.73 0.34 -1.64 -1.00 0.00 0.00 179.01 175.98 1uwi s MET 21 N -6.00 1.96 0.00 2.33 -1.94 -1.26 -1.43 119.30 112.95 1uwi s MET 21 Ca -0.19 1.60 0.00 0.00 -1.71 0.00 0.00 55.69 55.39 1uwi s MET 21 Cb 0.03 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 35.04 1uwi s MET 21 CO 0.61 -1.94 0.00 0.41 -0.01 0.00 0.00 175.02 174.09 1uwi n GLY 22 N 0.05 1.37 3.85 -0.03 0.00 -1.22 -0.93 105.19 108.28 1uwi n GLY 22 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1uwi n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uwi s THR 23 N 0.00 4.92 0.27 2.61 -4.23 -1.26 -4.70 115.64 113.24 1uwi s THR 23 Ca 0.00 -0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 59.53 1uwi s THR 23 Cb 0.00 -3.42 -0.12 0.00 1.34 0.00 0.00 72.50 70.29 1uwi s THR 23 CO 0.00 0.07 1.55 -0.81 -0.54 0.00 0.00 174.62 174.88 1uwi n PRO 24 N 0.16 2.48 -0.31 3.99 -0.04 -1.26 -2.13 135.00 137.88 1uwi n PRO 24 Ca -0.07 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1uwi n PRO 24 Cb 0.52 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1uwi n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uwi n GLY 25 N 2.32 0.95 0.31 0.55 0.00 -1.26 -4.93 105.19 103.13 1uwi n GLY 25 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1uwi n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwi n SER 26 N 0.00 1.28 -4.65 1.61 3.41 -0.91 -4.98 113.62 109.39 1uwi n SER 26 Ca 0.00 -1.05 -0.46 0.00 -0.26 0.00 0.00 58.87 57.10 1uwi n SER 26 Cb 0.00 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1uwi n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uwi n GLU 27 N -0.50 1.91 -3.76 4.33 4.71 -1.26 -4.62 120.64 121.45 1uwi n GLU 27 Ca 0.11 0.68 -0.30 0.00 -0.01 0.00 0.00 57.16 57.65 1uwi n GLU 27 Cb 0.38 -2.35 -0.15 0.00 -1.01 0.00 0.00 31.44 28.31 1uwi n GLU 27 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1uwi s ASP 28 N 0.42 3.88 0.00 1.62 2.15 -1.26 -4.99 116.67 118.48 1uwi s ASP 28 Ca 0.72 -1.50 0.25 0.00 0.43 0.00 0.00 52.55 52.45 1uwi s ASP 28 Cb -0.70 -0.88 0.49 0.00 -0.30 0.00 0.00 42.92 41.53 1uwi s ASP 28 CO 0.47 -0.38 1.41 0.18 -0.17 0.00 0.00 175.17 176.67 1uwi n LEU 29 N 4.84 1.76 -2.00 -1.34 4.77 -1.26 -4.60 117.00 119.17 1uwi n LEU 29 Ca -0.04 -0.59 -0.22 0.00 -0.03 0.00 0.00 56.01 55.14 1uwi n LEU 29 Cb 0.43 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1uwi n LEU 29 CO 0.12 0.31 1.24 0.59 -1.33 0.00 0.00 177.39 178.33 1uwi n ASN 30 N 0.05 6.15 -4.38 -1.43 5.03 -1.26 -4.65 115.26 114.77 1uwi n ASN 30 Ca 0.13 -3.27 -0.23 0.00 0.87 0.00 0.00 54.58 52.08 1uwi n ASN 30 Cb 0.43 -0.96 -0.11 0.00 -1.02 0.00 0.00 39.78 38.12 1uwi n ASN 30 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1uwi s THR 31 N -2.99 2.05 0.26 3.41 -4.23 -1.26 -0.05 115.64 112.82 1uwi s THR 31 Ca 0.42 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1uwi s THR 31 Cb 0.34 -2.02 0.15 0.00 1.34 0.00 0.00 72.50 72.31 1uwi s THR 31 CO 0.01 -0.33 1.80 -2.24 -0.54 0.00 0.00 174.62 173.33 1uwi h ASP 32 N 2.96 0.87 -0.70 3.99 2.03 -1.27 -2.62 116.42 121.68 1uwi h ASP 32 Ca -0.42 -0.16 -0.07 0.00 -0.73 0.00 0.00 57.03 55.65 1uwi h ASP 32 Cb 1.22 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 39.46 1uwi h ASP 32 CO 0.53 0.84 0.15 -0.50 -1.03 0.00 0.00 179.24 179.23 1uwi h TRP 33 N 0.90 1.20 -0.25 4.15 4.06 -1.93 0.21 115.95 124.30 1uwi h TRP 33 Ca 0.20 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1uwi h TRP 33 Cb 0.30 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1uwi h TRP 33 CO 0.02 0.99 0.12 -0.92 -3.56 0.00 0.00 178.44 175.08 1uwi h TYR 34 N 1.08 0.36 -0.63 0.49 5.03 -1.84 -0.86 116.97 120.59 1uwi h TYR 34 Ca 0.22 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.44 1uwi h TYR 34 Cb 0.40 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 1uwi h TYR 34 CO 0.03 0.35 0.13 -0.22 -1.32 0.00 0.00 178.16 177.13 1uwi h LYS 35 N 0.27 1.01 -0.36 1.82 3.64 -1.29 -2.81 116.57 118.85 1uwi h LYS 35 Ca 0.08 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1uwi h LYS 35 Cb 0.13 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1uwi h LYS 35 CO -0.01 0.91 0.22 2.35 -2.27 0.00 0.00 179.45 180.66 1uwi h TRP 36 N 0.96 0.42 -0.00 1.91 2.91 -0.10 -1.54 115.95 120.50 1uwi h TRP 36 Ca 0.20 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.23 1uwi h TRP 36 Cb 0.37 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1uwi h TRP 36 CO 0.03 0.26 -0.01 1.33 -1.03 0.00 0.00 178.44 179.01 1uwi n VAL 37 N -4.86 0.00 0.98 2.65 0.24 -0.37 -2.94 118.33 114.03 1uwi n VAL 37 Ca 0.00 -0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.40 1uwi n VAL 37 Cb 0.04 -0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 31.86 1uwi n VAL 37 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1uwi n HIS 38 N -1.42 0.00 -1.85 6.34 8.25 -1.00 -4.76 115.22 120.77 1uwi n HIS 38 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1uwi n HIS 38 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 1uwi n HIS 38 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1uwi s ASP 39 N -2.74 6.54 0.21 0.41 2.15 -0.61 -4.92 116.67 117.71 1uwi s ASP 39 Ca 0.12 2.59 -0.09 0.00 0.43 0.00 0.00 52.55 55.61 1uwi s ASP 39 Cb 0.17 -2.57 0.25 0.00 -0.30 0.00 0.00 42.92 40.47 1uwi s ASP 39 CO 0.73 -0.93 1.81 -0.65 -0.17 0.00 0.00 175.17 175.96 1uwi h PRO 40 N 8.32 0.68 -0.38 4.34 0.11 -1.91 -1.55 132.00 141.60 1uwi h PRO 40 Ca -0.44 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 1uwi h PRO 40 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1uwi h PRO 40 CO 0.94 0.45 -0.38 0.93 -0.21 0.00 0.00 178.00 179.73 1uwi h GLU 41 N 0.70 0.93 -0.81 1.05 5.08 -1.98 -0.73 114.58 118.82 1uwi h GLU 41 Ca 0.31 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1uwi h GLU 41 Cb 0.20 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1uwi h GLU 41 CO -0.19 1.14 0.35 -0.91 -1.00 0.00 0.00 179.01 178.40 1uwi h ASN 42 N 0.76 1.09 -0.09 1.42 2.35 -1.82 -0.01 115.58 119.28 1uwi h ASN 42 Ca 0.06 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1uwi h ASN 42 Cb 0.97 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 1uwi h ASN 42 CO 0.09 0.95 0.00 0.24 -1.65 0.00 0.00 177.43 177.07 1uwi h MET 43 N 1.17 0.15 -0.85 0.81 2.86 -1.15 -0.29 114.93 117.63 1uwi h MET 43 Ca 0.27 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 1uwi h MET 43 Cb 0.18 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1uwi h MET 43 CO -0.03 0.41 0.53 0.00 1.06 0.00 0.00 176.91 178.88 1uwi h ALA 44 N 0.74 1.17 0.00 6.32 0.00 -0.88 -0.23 119.26 126.38 1uwi h ALA 44 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uwi h ALA 44 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1uwi h ALA 44 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1uwi n ALA 45 N -2.35 1.91 -1.09 0.00 0.00 -0.04 -4.88 120.51 114.05 1uwi n ALA 45 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1uwi n ALA 45 Cb 0.17 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1uwi n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uwi n GLY 46 N 0.54 0.62 0.15 0.00 0.00 -0.10 -4.90 105.19 101.50 1uwi n GLY 46 Ca 0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 1uwi n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uwi h LEU 47 N 0.00 0.13 -8.80 0.99 3.38 -1.31 -3.44 115.31 106.26 1uwi h LEU 47 Ca -0.06 -0.07 -0.63 0.00 0.09 0.00 0.00 57.88 57.20 1uwi h LEU 47 Cb 0.21 -0.04 -0.22 0.00 0.09 0.00 0.00 40.66 40.70 1uwi h LEU 47 CO 0.09 0.71 -0.85 0.68 0.09 0.00 0.00 178.44 179.16 1uwi s VAL 48 N -3.69 2.02 0.38 1.22 -7.23 -1.21 -4.12 120.40 107.77 1uwi s VAL 48 Ca -0.03 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1uwi s VAL 48 Cb 0.12 -1.80 0.24 0.00 0.56 0.00 0.00 36.38 35.51 1uwi s VAL 48 CO 0.78 0.03 2.01 0.77 -0.31 0.00 0.00 175.10 178.38 1uwi h SER 49 N 4.00 0.54 0.00 4.85 4.64 -1.05 -3.43 113.55 123.10 1uwi h SER 49 Ca -0.49 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1uwi h SER 49 Cb 1.17 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1uwi h SER 49 CO 0.39 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1uwi n GLY 50 N -1.35 2.72 3.78 -0.77 0.00 -1.26 -5.03 105.19 103.28 1uwi n GLY 50 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1uwi n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uwi s ASP 51 N -1.52 5.66 -0.02 1.61 1.01 -1.26 -5.04 116.67 117.11 1uwi s ASP 51 Ca 0.00 2.11 0.08 0.00 0.71 0.00 0.00 52.55 55.44 1uwi s ASP 51 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1uwi s ASP 51 CO 0.00 -1.26 -0.26 -0.76 0.21 0.00 0.00 175.17 173.11 1uwi s LEU 52 N -4.01 2.05 0.44 1.23 1.43 -1.26 -4.94 118.68 113.62 1uwi s LEU 52 Ca 0.71 -0.46 0.17 0.00 -1.03 0.00 0.00 54.13 53.51 1uwi s LEU 52 Cb -0.22 -1.32 1.09 0.00 0.03 0.00 0.00 46.19 45.77 1uwi s LEU 52 CO 0.29 0.31 1.93 -0.65 0.23 0.00 0.00 176.35 178.47 1uwi h PRO 53 N 5.49 0.36 0.00 1.29 0.11 -1.96 -1.76 132.00 135.53 1uwi h PRO 53 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1uwi h PRO 53 Cb 1.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1uwi h PRO 53 CO 0.47 0.24 0.26 0.93 -0.21 0.00 0.00 178.00 179.68 1uwi h GLU 54 N 0.37 0.00 -0.51 1.05 3.07 -1.96 0.65 114.58 117.26 1uwi h GLU 54 Ca 0.36 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 1uwi h GLU 54 Cb 0.87 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.75 1uwi h GLU 54 CO -0.11 0.00 0.06 0.09 -1.40 0.00 0.00 179.01 177.66 1uwi n ASN 55 N -2.69 4.83 -2.73 1.42 5.03 -0.66 -3.42 115.26 117.03 1uwi n ASN 55 Ca -0.02 -3.07 0.00 0.00 0.87 0.00 0.00 54.58 52.36 1uwi n ASN 55 Cb 0.30 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 1uwi n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uwi n GLY 56 N 0.01 -2.30 0.28 7.41 0.00 0.22 -4.88 105.19 105.93 1uwi n GLY 56 Ca 0.29 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 45.00 1uwi n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uwi h PRO 57 N 0.00 0.00 -1.62 1.61 0.11 -1.69 -3.38 132.00 127.03 1uwi h PRO 57 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1uwi h PRO 57 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.13 1uwi h PRO 57 CO 0.00 0.05 -0.14 0.41 -0.21 0.00 0.00 178.00 178.11 1uwi n GLY 58 N -1.14 0.50 0.30 -0.55 0.00 -0.11 -4.86 105.19 99.33 1uwi n GLY 58 Ca -0.03 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.49 1uwi n GLY 58 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1uwi h TYR 59 N -0.41 0.44 -0.94 1.61 3.20 -0.66 0.26 116.97 120.47 1uwi h TYR 59 Ca -0.12 0.00 0.15 0.00 3.14 0.00 0.00 58.73 61.91 1uwi h TYR 59 Cb 1.08 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 39.12 1uwi h TYR 59 CO 0.11 0.30 0.60 2.35 -1.64 0.00 0.00 178.16 179.88 1uwi h TRP 60 N 0.47 0.91 0.00 -3.82 2.91 -1.44 0.40 115.95 115.37 1uwi h TRP 60 Ca 0.12 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 59.98 1uwi h TRP 60 Cb -0.00 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 28.33 1uwi h TRP 60 CO 0.00 0.31 -2.04 0.41 -1.03 0.00 0.00 178.44 176.08 1uwi n GLY 61 N -1.40 -0.84 1.28 2.65 0.00 -0.79 -4.59 105.19 101.49 1uwi n GLY 61 Ca 0.19 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1uwi n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uwi n ASN 62 N -2.44 4.00 -0.35 1.61 3.02 0.85 -4.71 115.26 117.23 1uwi n ASN 62 Ca -0.18 -3.20 0.12 0.00 -0.03 0.00 0.00 54.58 51.29 1uwi n ASN 62 Cb 0.84 -0.62 0.31 0.00 -0.61 0.00 0.00 39.78 39.70 1uwi n ASN 62 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1uwi h TYR 63 N 2.02 1.08 -0.87 3.10 -0.00 -1.13 -0.54 116.97 120.63 1uwi h TYR 63 Ca 0.10 0.03 0.06 0.00 -0.00 0.00 0.00 58.73 58.92 1uwi h TYR 63 Cb 1.74 -0.33 -0.05 0.00 -0.00 0.00 0.00 36.73 38.09 1uwi h TYR 63 CO 0.82 0.26 0.57 0.87 -0.00 0.00 0.00 178.16 180.68 1uwi h LYS 64 N 0.79 0.98 -0.35 0.10 1.57 -1.86 0.16 116.57 117.96 1uwi h LYS 64 Ca 0.57 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 59.16 1uwi h LYS 64 Cb 0.86 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1uwi h LYS 64 CO -0.37 0.65 -0.32 1.15 -0.57 0.00 0.00 179.45 180.00 1uwi h THR 65 N 1.01 1.28 0.64 -0.16 2.02 -1.48 -0.18 112.91 116.04 1uwi h THR 65 Ca 0.37 -1.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1uwi h THR 65 Cb 0.15 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1uwi h THR 65 CO -0.13 0.48 -0.31 -0.26 0.37 0.00 0.00 175.52 175.68 1uwi h PHE 66 N 0.64 -0.80 -0.96 3.16 -1.00 -0.76 -2.30 116.94 114.93 1uwi h PHE 66 Ca 0.07 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.92 1uwi h PHE 66 Cb 0.85 0.26 -0.07 0.00 3.61 0.00 0.00 35.95 40.60 1uwi h PHE 66 CO 0.04 -0.46 0.61 0.45 -1.61 0.00 0.00 178.31 177.34 1uwi h HIS 67 N -0.98 1.12 -0.78 -0.55 3.86 -0.70 -0.84 115.15 116.29 1uwi h HIS 67 Ca -0.09 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1uwi h HIS 67 Cb 0.69 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1uwi h HIS 67 CO -0.01 0.53 0.30 -0.97 0.86 0.00 0.00 177.93 178.64 1uwi h ASN 68 N 1.06 1.08 -0.43 2.45 -1.24 -0.97 -0.56 115.58 116.96 1uwi h ASN 68 Ca 0.44 -0.18 -0.12 0.00 0.71 0.00 0.00 56.30 57.16 1uwi h ASN 68 Cb 0.28 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1uwi h ASN 68 CO -0.21 0.96 -0.16 0.78 -1.29 0.00 0.00 177.43 177.51 1uwi h ASN 69 N 1.13 0.93 -0.81 1.15 2.35 -0.71 -1.01 115.58 118.61 1uwi h ASN 69 Ca 0.26 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1uwi h ASN 69 Cb 0.23 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1uwi h ASN 69 CO -0.02 1.08 0.38 0.00 -1.65 0.00 0.00 177.43 177.21 1uwi h ALA 70 N 1.00 1.12 -0.22 -0.83 0.00 -0.82 -0.87 119.26 118.64 1uwi h ALA 70 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uwi h ALA 70 Cb 0.71 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uwi h ALA 70 CO 0.05 0.65 0.09 0.37 0.00 0.00 0.00 179.25 180.41 1uwi h GLN 71 N 1.17 0.32 0.00 0.00 4.15 -0.77 -1.11 115.11 118.87 1uwi h GLN 71 Ca 0.28 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 1uwi h GLN 71 Cb 0.14 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1uwi h GLN 71 CO -0.03 0.38 -0.08 0.87 -1.93 0.00 0.00 178.83 178.04 1uwi h LYS 72 N 0.20 0.00 -0.01 1.69 1.57 -0.79 -0.65 116.57 118.58 1uwi h LYS 72 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1uwi h LYS 72 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1uwi h LYS 72 CO -0.01 0.08 -0.09 -0.12 -0.57 0.00 0.00 179.45 178.75 1uwi n MET 73 N -3.74 1.05 -1.00 3.15 1.56 -0.37 -4.93 117.12 112.84 1uwi n MET 73 Ca -0.02 -0.46 -0.00 0.00 -0.27 0.00 0.00 57.70 56.95 1uwi n MET 73 Cb 0.18 -1.49 -0.00 0.00 2.15 0.00 0.00 33.22 34.06 1uwi n MET 73 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1uwi n GLY 74 N 1.22 0.45 3.77 -5.12 0.00 -0.25 -4.12 105.19 101.14 1uwi n GLY 74 Ca 0.17 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1uwi n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwi s LEU 75 N -0.00 4.19 -0.03 0.99 1.43 -0.48 -4.51 118.68 120.27 1uwi s LEU 75 Ca 0.00 2.28 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 1uwi s LEU 75 Cb 0.00 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 42.24 1uwi s LEU 75 CO 0.00 -0.63 0.92 0.29 0.23 0.00 0.00 176.35 177.16 1uwi n LYS 76 N 0.06 1.08 -3.61 1.70 5.02 0.10 -4.66 118.16 117.85 1uwi n LYS 76 Ca 0.04 -1.41 -0.16 0.00 -2.02 0.00 0.00 58.31 54.77 1uwi n LYS 76 Cb 0.47 -0.88 -0.07 0.00 -0.02 0.00 0.00 35.03 34.53 1uwi n LYS 76 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1uwi s ILE 77 N -0.99 0.01 -0.07 -0.18 2.07 -1.23 -0.32 121.20 120.49 1uwi s ILE 77 Ca 0.08 -0.09 -0.10 0.00 -1.41 0.00 0.00 60.65 59.13 1uwi s ILE 77 Cb 0.07 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1uwi s ILE 77 CO 0.01 -0.05 0.27 0.00 -1.91 0.00 0.00 174.94 173.25 1uwi s ALA 78 N -0.78 -0.66 -0.15 1.50 0.00 -0.10 -2.69 121.76 118.87 1uwi s ALA 78 Ca -0.08 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1uwi s ALA 78 Cb -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1uwi s ALA 78 CO 0.06 -0.17 -0.11 0.50 0.00 0.00 0.00 175.76 176.05 1uwi s ARG 79 N -0.32 1.98 0.37 0.00 3.00 -0.75 -1.14 118.95 122.08 1uwi s ARG 79 Ca -0.04 -0.55 0.04 0.00 -1.00 0.00 0.00 55.73 54.17 1uwi s ARG 79 Cb -0.03 -2.05 -0.04 0.00 0.00 0.00 0.00 34.95 32.83 1uwi s ARG 79 CO 0.01 -0.31 0.12 -0.51 0.00 0.00 0.00 175.30 174.61 1uwi s LEU 80 N 1.53 1.96 0.10 -0.88 1.02 -1.12 -1.75 118.68 119.54 1uwi s LEU 80 Ca 0.03 -1.58 0.02 0.00 0.02 0.00 0.00 54.13 52.63 1uwi s LEU 80 Cb -0.14 -0.11 -0.04 0.00 0.02 0.00 0.00 46.19 45.92 1uwi s LEU 80 CO -0.09 -0.84 -0.07 0.54 0.02 0.00 0.00 176.35 175.90 1uwi s ASN 81 N -3.53 1.18 -0.09 2.29 4.22 -1.26 -0.83 114.94 116.92 1uwi s ASN 81 Ca 0.29 -0.94 -0.08 0.00 -2.14 0.00 0.00 52.86 49.99 1uwi s ASN 81 Cb 0.05 0.07 -0.04 0.00 1.28 0.00 0.00 41.25 42.61 1uwi s ASN 81 CO 0.15 -0.41 0.20 -0.44 -2.04 0.00 0.00 177.10 174.56 1uwi s SER 82 N -2.84 6.48 -0.51 3.54 0.01 -1.11 -4.42 113.70 114.85 1uwi s SER 82 Ca 0.09 0.57 -0.25 0.00 1.31 0.00 0.00 55.95 57.68 1uwi s SER 82 Cb 0.03 -2.11 0.03 0.00 0.21 0.00 0.00 66.02 64.18 1uwi s SER 82 CO -0.03 0.39 0.92 -1.61 0.41 0.00 0.00 173.24 173.31 1uwi s GLU 83 N -1.07 3.42 0.31 12.44 0.41 -1.26 -4.58 118.70 128.35 1uwi s GLU 83 Ca 0.17 -0.08 0.05 0.00 -0.41 0.00 0.00 54.97 54.71 1uwi s GLU 83 Cb -0.13 -3.99 0.82 0.00 -1.78 0.00 0.00 34.13 29.05 1uwi s GLU 83 CO 0.06 -1.35 1.62 2.35 -0.49 0.00 0.00 175.26 177.46 1uwi h TRP 84 N 9.19 0.33 -0.15 1.61 2.91 -1.87 0.21 115.95 128.17 1uwi h TRP 84 Ca -0.25 0.05 0.02 0.00 1.13 0.00 0.00 58.89 59.84 1uwi h TRP 84 Cb 1.08 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.72 1uwi h TRP 84 CO 0.88 -0.30 0.11 0.66 -1.03 0.00 0.00 178.44 178.76 1uwi h SER 85 N 0.13 0.11 0.31 2.65 4.64 -1.88 -1.22 113.55 118.30 1uwi h SER 85 Ca 0.61 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.74 1uwi h SER 85 Cb 1.31 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1uwi h SER 85 CO -0.74 0.08 -0.76 0.03 -0.87 0.00 0.00 176.83 174.57 1uwi h ARG 86 N 0.13 0.37 -0.06 4.77 3.08 -0.96 -2.65 114.38 119.05 1uwi h ARG 86 Ca 0.06 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1uwi h ARG 86 Cb 0.10 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1uwi h ARG 86 CO -0.01 0.97 -0.17 1.96 -1.07 0.00 0.00 179.97 181.64 1uwi h GLN 87 N 0.24 0.22 -2.46 0.04 7.50 -1.24 -3.40 115.11 116.00 1uwi h GLN 87 Ca -0.04 -0.16 -0.60 0.00 0.50 0.00 0.00 58.65 58.36 1uwi h GLN 87 Cb 1.34 0.03 -0.41 0.00 0.05 0.00 0.00 27.48 28.49 1uwi h GLN 87 CO 0.13 0.78 -0.75 1.19 -1.50 0.00 0.00 178.83 178.68 1uwi n PHE 88 N -4.58 1.98 0.22 2.96 3.72 -0.54 -0.71 117.46 120.50 1uwi n PHE 88 Ca -0.08 -3.95 0.10 0.00 -0.05 0.00 0.00 57.45 53.47 1uwi n PHE 88 Cb 0.41 -0.39 0.45 0.00 -0.94 0.00 0.00 39.48 39.00 1uwi n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1uwi h PRO 89 N 4.78 0.00 -5.98 -1.08 0.13 -1.68 -3.43 132.00 124.73 1uwi h PRO 89 Ca 0.17 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.70 1uwi h PRO 89 Cb 0.77 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 1uwi h PRO 89 CO 0.65 0.23 -0.50 -0.80 -0.23 0.00 0.00 178.00 177.35 1uwi s ASN 90 N -6.21 6.25 0.29 1.44 0.02 -1.26 -4.79 114.94 110.69 1uwi s ASN 90 Ca 0.01 0.21 -0.30 0.00 -1.02 0.00 0.00 52.86 51.75 1uwi s ASN 90 Cb 0.10 -1.89 -0.11 0.00 0.02 0.00 0.00 41.25 39.37 1uwi s ASN 90 CO 0.64 0.14 1.57 -2.84 0.02 0.00 0.00 177.10 176.63 1uwi s PRO 91 N -2.71 4.14 0.13 -0.60 0.02 -1.26 -5.01 135.00 129.70 1uwi s PRO 91 Ca 0.34 2.54 -0.10 0.00 0.02 0.00 0.00 61.00 63.80 1uwi s PRO 91 Cb -0.12 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.30 1uwi s PRO 91 CO 0.27 -0.61 0.45 -0.51 -0.33 0.00 0.00 177.00 176.28 1uwi s LEU 92 N -0.49 4.31 0.47 -5.54 1.43 -1.26 -5.04 118.68 112.56 1uwi s LEU 92 Ca 0.63 0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 54.33 1uwi s LEU 92 Cb -0.47 -3.19 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 1uwi s LEU 92 CO 0.47 0.10 1.42 -0.81 0.23 0.00 0.00 176.35 177.77 1uwi n PRO 93 N 0.62 2.14 -1.64 1.29 -0.04 -1.26 -4.86 135.00 131.25 1uwi n PRO 93 Ca -0.05 0.77 -0.48 0.00 -0.04 0.00 0.00 63.50 63.69 1uwi n PRO 93 Cb 0.52 -2.62 -0.05 0.00 -0.04 0.00 0.00 33.50 31.31 1uwi n PRO 93 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1uwi n ARG 94 N -0.36 1.75 -2.30 0.54 0.63 -1.26 -4.89 116.66 110.78 1uwi n ARG 94 Ca 0.06 0.63 -0.39 0.00 -0.92 0.00 0.00 57.85 57.23 1uwi n ARG 94 Cb 0.42 -2.34 -0.03 0.00 0.45 0.00 0.00 32.46 30.97 1uwi n ARG 94 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1uwi s PRO 95 N 0.59 4.26 0.66 -0.14 0.04 -1.26 -5.02 135.00 134.12 1uwi s PRO 95 Ca 0.79 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 63.69 1uwi s PRO 95 Cb -0.78 -2.88 0.05 0.00 0.04 0.00 0.00 34.50 30.93 1uwi s PRO 95 CO 0.43 -0.17 0.96 1.14 0.04 0.00 0.00 177.00 179.40 1uwi s GLN 96 N -2.00 2.41 -1.16 4.56 1.03 -1.26 -4.05 119.66 119.19 1uwi s GLN 96 Ca 0.52 -0.24 0.00 0.00 0.04 0.00 0.00 55.36 55.68 1uwi s GLN 96 Cb -0.33 -2.23 0.00 0.00 0.03 0.00 0.00 33.01 30.49 1uwi s GLN 96 CO 0.42 -1.05 0.00 0.27 -2.54 0.00 0.00 175.29 172.39 1uwi n ASN 97 N -2.78 -5.36 -4.17 12.60 6.94 -1.26 -4.96 115.26 116.26 1uwi n ASN 97 Ca 0.07 0.27 -0.33 0.00 -0.02 0.00 0.00 54.58 54.57 1uwi n ASN 97 Cb 0.60 -3.82 -0.16 0.00 -2.36 0.00 0.00 39.78 34.03 1uwi n ASN 97 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1uwi s PHE 98 N -2.05 2.68 -0.41 -2.53 5.36 -1.26 -5.09 117.98 114.68 1uwi s PHE 98 Ca 0.00 -1.36 -0.09 0.00 -0.96 0.00 0.00 56.93 54.52 1uwi s PHE 98 Cb 0.00 -1.83 0.08 0.00 -0.34 0.00 0.00 43.02 40.93 1uwi s PHE 98 CO 0.00 -0.63 0.25 0.34 -1.46 0.00 0.00 175.22 173.73 1uwi s ASP 99 N 0.86 5.62 0.49 6.13 2.15 -1.26 -4.95 116.67 125.71 1uwi s ASP 99 Ca -0.06 -1.49 0.33 0.00 0.43 0.00 0.00 52.55 51.76 1uwi s ASP 99 Cb -0.15 -1.98 1.56 0.00 -0.30 0.00 0.00 42.92 42.05 1uwi s ASP 99 CO -0.03 -0.53 1.99 -0.33 -0.17 0.00 0.00 175.17 176.10 1uwi h GLU 100 N 8.39 0.00 0.00 4.34 5.08 -1.98 -2.10 114.58 128.32 1uwi h GLU 100 Ca -0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1uwi h GLU 100 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1uwi h GLU 100 CO 0.75 0.00 -0.19 0.66 -1.00 0.00 0.00 179.01 179.23 1uwi h SER 101 N 0.00 0.00 -3.16 1.42 4.64 -2.01 -3.44 113.55 111.00 1uwi h SER 101 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1uwi h SER 101 Cb 0.26 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.42 1uwi h SER 101 CO 0.00 0.19 0.88 -0.75 -0.87 0.00 0.00 176.83 176.28 1uwi s LYS 102 N -3.38 4.16 0.05 4.77 2.47 -0.79 -4.92 119.74 122.10 1uwi s LYS 102 Ca 0.03 2.50 -0.17 0.00 -1.56 0.00 0.00 55.97 56.78 1uwi s LYS 102 Cb 0.08 -3.07 -0.20 0.00 -1.46 0.00 0.00 37.83 33.18 1uwi s LYS 102 CO 0.65 -0.61 1.20 0.37 0.16 0.00 0.00 175.35 177.12 1uwi h GLN 103 N 5.48 0.58 -5.96 4.03 4.15 -1.88 -3.46 115.11 118.04 1uwi h GLN 103 Ca -0.46 -0.54 -0.63 0.00 0.77 0.00 0.00 58.65 57.80 1uwi h GLN 103 Cb 1.21 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.98 1uwi h GLN 103 CO 0.84 1.16 -0.52 -0.51 -1.93 0.00 0.00 178.83 177.86 1uwi s ASP 104 N -6.90 6.15 -0.54 -0.69 1.01 -1.26 -5.01 116.67 109.42 1uwi s ASP 104 Ca -0.12 0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.39 1uwi s ASP 104 Cb 0.06 -1.85 0.15 0.00 1.01 0.00 0.00 42.92 42.29 1uwi s ASP 104 CO 0.86 0.19 0.33 -0.69 0.21 0.00 0.00 175.17 176.07 1uwi s VAL 105 N -1.44 2.12 -0.90 -1.27 1.01 -1.26 -4.95 120.40 113.70 1uwi s VAL 105 Ca 0.32 -3.32 0.28 0.00 0.00 0.00 0.00 61.98 59.26 1uwi s VAL 105 Cb -0.13 -2.44 0.26 0.00 0.00 0.00 0.00 36.38 34.07 1uwi s VAL 105 CO 0.25 -0.93 1.87 0.35 0.00 0.00 0.00 175.10 176.64 1uwi n THR 106 N 2.86 0.21 -3.59 3.92 -2.24 -1.26 -4.88 114.28 109.30 1uwi n THR 106 Ca 0.13 -0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1uwi n THR 106 Cb 0.35 -0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.00 1uwi n THR 106 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uwi s GLU 107 N -3.04 0.45 -0.09 -0.78 -1.05 -1.26 -4.87 118.70 108.06 1uwi s GLU 107 Ca 0.13 0.11 -0.01 0.00 -0.15 0.00 0.00 54.97 55.05 1uwi s GLU 107 Cb 0.17 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 34.09 1uwi s GLU 107 CO 0.55 -0.14 -0.04 0.08 0.95 0.00 0.00 175.26 176.67 1uwi s VAL 108 N -1.08 0.71 -0.04 1.83 1.01 -1.26 -5.11 120.40 116.45 1uwi s VAL 108 Ca 0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1uwi s VAL 108 Cb -0.01 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 1uwi s VAL 108 CO -0.01 0.31 1.64 -1.83 0.00 0.00 0.00 175.10 175.21 1uwi s GLU 109 N 1.84 4.19 -0.10 2.72 -1.05 -1.26 -4.94 118.70 120.10 1uwi s GLU 109 Ca 0.05 2.18 -0.00 0.00 -0.15 0.00 0.00 54.97 57.05 1uwi s GLU 109 Cb -0.12 -3.94 0.02 0.00 -0.44 0.00 0.00 34.13 29.65 1uwi s GLU 109 CO -0.07 -0.82 -0.08 0.42 0.95 0.00 0.00 175.26 175.66 1uwi s ILE 110 N 3.85 0.97 0.17 1.83 -1.09 -1.26 -5.02 121.20 120.65 1uwi s ILE 110 Ca 0.73 -0.28 -0.08 0.00 -2.23 0.00 0.00 60.65 58.79 1uwi s ILE 110 Cb -0.34 -0.98 -0.01 0.00 -1.58 0.00 0.00 42.46 39.55 1uwi s ILE 110 CO 0.29 0.35 0.27 0.54 -1.23 0.00 0.00 174.94 175.16 1uwi s ASN 111 N 1.53 0.07 0.27 3.58 2.20 -1.26 -5.04 114.94 116.29 1uwi s ASN 111 Ca 0.01 -0.97 -0.00 0.00 -0.94 0.00 0.00 52.86 50.97 1uwi s ASN 111 Cb -0.13 0.43 0.55 0.00 -2.00 0.00 0.00 41.25 40.10 1uwi s ASN 111 CO -0.06 -0.90 1.78 -0.08 -2.94 0.00 0.00 177.10 174.90 1uwi h GLU 112 N 2.55 0.69 -0.69 3.55 4.81 -1.98 -1.02 114.58 122.48 1uwi h GLU 112 Ca -0.32 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1uwi h GLU 112 Cb 1.23 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1uwi h GLU 112 CO 0.48 0.46 0.45 -0.91 -0.73 0.00 0.00 179.01 178.76 1uwi h ASN 113 N 0.71 0.78 -0.32 1.04 2.35 -1.99 0.13 115.58 118.29 1uwi h ASN 113 Ca 0.48 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.20 1uwi h ASN 113 Cb 0.64 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1uwi h ASN 113 CO -0.34 0.56 0.16 -0.33 -1.65 0.00 0.00 177.43 175.83 1uwi h GLU 114 N 0.92 0.45 -0.76 0.81 4.39 -1.63 -2.06 114.58 116.70 1uwi h GLU 114 Ca 0.26 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1uwi h GLU 114 Cb -0.09 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 1uwi h GLU 114 CO -0.06 0.41 0.41 -0.07 -1.16 0.00 0.00 179.01 178.54 1uwi h LEU 115 N 0.38 0.94 -0.43 1.33 3.38 -0.72 -0.17 115.31 120.02 1uwi h LEU 115 Ca 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1uwi h LEU 115 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1uwi h LEU 115 CO -0.01 0.76 0.20 0.11 0.09 0.00 0.00 178.44 179.58 1uwi h LYS 116 N 1.06 0.63 -0.26 1.13 1.79 -0.43 -0.16 116.57 120.34 1uwi h LYS 116 Ca 0.27 -0.10 -0.14 0.00 -2.18 0.00 0.00 60.65 58.50 1uwi h LYS 116 Cb 0.03 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1uwi h LYS 116 CO -0.04 0.56 -0.41 -0.09 -1.08 0.00 0.00 179.45 178.39 1uwi h ARG 117 N 0.56 0.62 -0.65 3.15 2.43 -1.03 -2.91 114.38 116.56 1uwi h ARG 117 Ca 0.15 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1uwi h ARG 117 Cb 0.15 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1uwi h ARG 117 CO -0.02 0.92 0.21 1.25 -1.51 0.00 0.00 179.97 180.82 1uwi h LEU 118 N 0.51 0.94 -2.10 3.80 6.46 -0.79 -2.66 115.31 121.47 1uwi h LEU 118 Ca 0.04 -0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.69 1uwi h LEU 118 Cb 0.93 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 1uwi h LEU 118 CO 0.08 0.89 0.32 -0.78 -0.62 0.00 0.00 178.44 178.33 1uwi h ASP 119 N 0.93 0.00 0.84 1.25 1.82 -0.82 -0.53 116.42 119.91 1uwi h ASP 119 Ca 0.21 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 1uwi h ASP 119 Cb 0.28 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 1uwi h ASP 119 CO -0.01 0.00 -0.14 -0.33 -1.61 0.00 0.00 179.24 177.15 1uwi h GLU 120 N 0.00 0.00 0.00 0.28 5.08 -1.47 -2.87 114.58 115.60 1uwi h GLU 120 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1uwi h GLU 120 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1uwi h GLU 120 CO -0.00 0.14 -0.82 0.66 -1.00 0.00 0.00 179.01 177.98 1uwi n TYR 121 N -3.34 0.46 -2.21 4.33 4.01 -0.21 -4.96 117.16 115.24 1uwi n TYR 121 Ca -0.00 0.13 -0.36 0.00 -0.16 0.00 0.00 57.90 57.51 1uwi n TYR 121 Cb 0.35 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 1uwi n TYR 121 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uwi s ALA 122 N -3.19 2.81 -0.68 -0.72 0.00 -1.09 -4.82 121.76 114.08 1uwi s ALA 122 Ca 0.05 0.92 -0.24 0.00 0.00 0.00 0.00 51.96 52.69 1uwi s ALA 122 Cb 0.14 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.92 1uwi s ALA 122 CO 0.76 -0.79 1.04 1.21 0.00 0.00 0.00 175.76 177.98 1uwi s ASN 123 N -1.52 6.17 0.42 0.00 3.84 0.11 -4.90 114.94 119.06 1uwi s ASN 123 Ca 0.69 -0.86 0.09 0.00 0.21 0.00 0.00 52.86 52.99 1uwi s ASN 123 Cb -0.28 -2.45 0.91 0.00 -0.55 0.00 0.00 41.25 38.89 1uwi s ASN 123 CO 0.32 -1.53 2.04 0.11 -2.79 0.00 0.00 177.10 175.24 1uwi h LYS 124 N 9.68 0.49 -0.13 0.43 1.79 -1.93 -1.72 116.57 125.18 1uwi h LYS 124 Ca -0.29 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1uwi h LYS 124 Cb 1.07 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1uwi h LYS 124 CO 1.20 0.33 0.07 -0.44 -1.08 0.00 0.00 179.45 179.53 1uwi h ASP 125 N 0.51 0.17 -0.54 0.86 3.32 -1.97 0.26 116.42 119.03 1uwi h ASP 125 Ca 0.19 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1uwi h ASP 125 Cb 0.12 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1uwi h ASP 125 CO -0.05 0.21 0.15 0.00 -1.72 0.00 0.00 179.24 177.83 1uwi h ALA 126 N 0.96 0.71 -0.57 3.45 0.00 -1.79 -0.66 119.26 121.37 1uwi h ALA 126 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uwi h ALA 126 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1uwi h ALA 126 CO -0.01 0.39 0.32 1.25 0.00 0.00 0.00 179.25 181.20 1uwi h LEU 127 N 0.75 0.71 -0.71 0.00 5.85 -1.09 -0.85 115.31 119.96 1uwi h LEU 127 Ca 0.17 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1uwi h LEU 127 Cb 0.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1uwi h LEU 127 CO -0.00 0.59 -0.26 0.78 -0.34 0.00 0.00 178.44 179.22 1uwi h ASN 128 N 0.77 0.72 -0.48 1.25 -0.26 -0.28 -2.37 115.58 114.93 1uwi h ASN 128 Ca 0.20 -0.27 -0.11 0.00 -0.56 0.00 0.00 56.30 55.57 1uwi h ASN 128 Cb 0.04 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 1uwi h ASN 128 CO -0.03 0.95 -0.11 -0.74 -1.06 0.00 0.00 177.43 176.44 1uwi h HIS 129 N 0.61 1.04 -0.79 1.19 2.76 -0.75 -1.82 115.15 117.39 1uwi h HIS 129 Ca 0.08 -0.22 0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1uwi h HIS 129 Cb 0.76 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 1uwi h HIS 129 CO 0.04 1.00 0.51 1.88 -1.30 0.00 0.00 177.93 180.06 1uwi h TYR 130 N 0.78 1.00 -0.90 5.26 0.05 -1.04 -0.57 116.97 121.55 1uwi h TYR 130 Ca 0.12 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1uwi h TYR 130 Cb 0.66 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 38.02 1uwi h TYR 130 CO 0.05 0.64 0.60 -0.09 -1.05 0.00 0.00 178.16 178.30 1uwi h ARG 131 N 1.07 1.18 -0.34 4.88 2.43 -1.14 0.64 114.38 123.11 1uwi h ARG 131 Ca 0.29 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1uwi h ARG 131 Cb -0.11 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.17 1uwi h ARG 131 CO -0.06 0.78 0.01 0.93 -1.51 0.00 0.00 179.97 180.12 1uwi h GLU 132 N 1.22 0.59 -0.38 0.20 5.08 -0.46 0.21 114.58 121.03 1uwi h GLU 132 Ca 0.33 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1uwi h GLU 132 Cb -0.13 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1uwi h GLU 132 CO -0.07 0.71 0.25 0.82 -1.00 0.00 0.00 179.01 179.71 1uwi h ILE 133 N 0.40 1.11 -0.12 3.13 2.04 -0.44 -1.43 117.51 122.20 1uwi h ILE 133 Ca 0.10 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 1uwi h ILE 133 Cb 0.44 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1uwi h ILE 133 CO 0.02 0.10 -0.50 -0.26 0.00 0.00 0.00 178.15 177.51 1uwi h PHE 134 N 0.52 0.40 -0.62 1.37 0.04 -0.77 -1.86 116.94 116.01 1uwi h PHE 134 Ca 0.14 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 1uwi h PHE 134 Cb -0.04 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1uwi h PHE 134 CO -0.05 0.76 0.05 0.87 -0.60 0.00 0.00 178.31 179.35 1uwi h LYS 135 N 0.26 1.05 -0.68 1.51 1.57 -0.32 -0.34 116.57 119.62 1uwi h LYS 135 Ca 0.01 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 1uwi h LYS 135 Cb 0.98 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1uwi h LYS 135 CO 0.08 0.99 0.22 0.22 -0.57 0.00 0.00 179.45 180.39 1uwi h ASP 136 N 0.97 1.00 -0.31 0.86 1.82 -1.03 0.11 116.42 119.83 1uwi h ASP 136 Ca 0.18 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1uwi h ASP 136 Cb 0.49 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 1uwi h ASP 136 CO 0.02 0.94 0.20 0.25 -1.61 0.00 0.00 179.24 179.04 1uwi h LEU 137 N 1.00 0.36 -0.43 2.28 5.85 -0.85 -2.99 115.31 120.53 1uwi h LEU 137 Ca 0.22 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.75 1uwi h LEU 137 Cb 0.30 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1uwi h LEU 137 CO -0.01 0.27 -0.53 0.11 -0.34 0.00 0.00 178.44 177.94 1uwi h LYS 138 N 0.42 0.71 0.00 1.25 1.79 -0.84 -2.94 116.57 116.96 1uwi h LYS 138 Ca 0.11 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1uwi h LYS 138 Cb -0.04 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1uwi h LYS 138 CO -0.02 1.06 0.00 -1.13 -1.08 0.00 0.00 179.45 178.28 1uwi n SER 139 N -3.99 0.61 -1.29 0.86 3.41 0.37 -0.56 113.62 113.04 1uwi n SER 139 Ca -0.04 0.74 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 1uwi n SER 139 Cb 0.61 -0.84 0.29 0.00 -0.26 0.00 0.00 64.21 64.01 1uwi n SER 139 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1uwi n ARG 140 N -2.28 2.90 -1.00 4.33 1.74 -1.11 -4.94 116.66 116.30 1uwi n ARG 140 Ca -0.01 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 1uwi n ARG 140 Cb 0.09 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1uwi n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uwi n GLY 141 N 1.27 0.36 3.71 -0.13 0.00 0.28 -5.01 105.19 105.67 1uwi n GLY 141 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1uwi n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwi s LEU 142 N 0.00 4.36 0.42 0.99 1.43 -1.20 -4.88 118.68 119.80 1uwi s LEU 142 Ca 0.00 1.53 -0.25 0.00 -1.03 0.00 0.00 54.13 54.38 1uwi s LEU 142 Cb 0.00 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.70 1uwi s LEU 142 CO 0.00 -0.22 1.27 -0.47 0.23 0.00 0.00 176.35 177.17 1uwi s TYR 143 N 0.94 2.81 -0.17 0.29 5.04 0.56 -4.50 117.35 122.32 1uwi s TYR 143 Ca 0.48 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 1uwi s TYR 143 Cb -0.20 -3.61 0.03 0.00 0.35 0.00 0.00 41.96 38.53 1uwi s TYR 143 CO 0.25 -1.99 -0.12 0.12 -1.34 0.00 0.00 175.55 172.47 1uwi s PHE 144 N -1.32 2.28 -0.35 4.97 5.36 -1.26 -0.93 117.98 126.74 1uwi s PHE 144 Ca 0.59 -1.40 -0.12 0.00 -0.96 0.00 0.00 56.93 55.04 1uwi s PHE 144 Cb -0.36 -1.61 -0.00 0.00 -0.34 0.00 0.00 43.02 40.71 1uwi s PHE 144 CO 0.46 -0.70 0.22 0.42 -1.46 0.00 0.00 175.22 174.15 1uwi s ILE 145 N 1.45 4.96 -0.33 3.12 1.01 -0.30 -1.47 121.20 129.65 1uwi s ILE 145 Ca 0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 1uwi s ILE 145 Cb -0.15 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 1uwi s ILE 145 CO -0.09 -0.06 0.63 -1.58 0.00 0.00 0.00 174.94 173.83 1uwi s GLN 146 N 1.66 3.80 -0.15 2.79 2.00 0.10 -2.79 119.66 127.07 1uwi s GLN 146 Ca 0.05 0.18 -0.08 0.00 -2.00 0.00 0.00 55.36 53.51 1uwi s GLN 146 Cb -0.18 -3.76 -0.04 0.00 0.80 0.00 0.00 33.01 29.82 1uwi s GLN 146 CO 0.09 -0.64 0.12 1.21 -0.50 0.00 0.00 175.29 175.57 1uwi s ASN 147 N 1.71 6.22 0.10 6.67 2.47 -0.01 -0.61 114.94 131.50 1uwi s ASN 147 Ca 0.25 0.36 0.13 0.00 0.42 0.00 0.00 52.86 54.01 1uwi s ASN 147 Cb -0.15 -2.03 -0.12 0.00 -1.45 0.00 0.00 41.25 37.49 1uwi s ASN 147 CO 0.13 0.32 1.04 0.24 -3.72 0.00 0.00 177.10 175.12 1uwi h MET 148 N 5.60 0.00 -2.94 0.43 2.86 -0.89 -2.95 114.93 117.05 1uwi h MET 148 Ca -0.49 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 56.97 1uwi h MET 148 Cb 1.20 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.57 1uwi h MET 148 CO 0.64 0.54 -0.43 -0.47 1.06 0.00 0.00 176.91 178.25 1uwi s TYR 149 N -2.81 -0.39 -0.37 -0.22 5.04 -0.96 -4.53 117.35 113.09 1uwi s TYR 149 Ca -0.01 0.90 0.13 0.00 -2.44 0.00 0.00 57.07 55.65 1uwi s TYR 149 Cb 0.09 0.10 0.43 0.00 0.35 0.00 0.00 41.96 42.93 1uwi s TYR 149 CO 0.80 -0.25 0.97 1.58 -1.34 0.00 0.00 175.55 177.31 1uwi n HIS 150 N 4.13 1.84 0.00 4.97 -0.00 -1.26 -0.97 115.22 123.92 1uwi n HIS 150 Ca -0.24 -3.07 0.00 0.00 -0.00 0.00 0.00 57.72 54.41 1uwi n HIS 150 Cb 0.54 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 1uwi n HIS 150 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1uwi n TRP 151 N -0.15 0.00 -1.80 1.57 7.02 -1.26 -4.91 117.44 117.90 1uwi n TRP 151 Ca 0.20 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.27 1uwi n TRP 151 Cb 0.73 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.62 1uwi n TRP 151 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 1uwi s PRO 152 N 0.00 4.12 0.02 -0.99 0.02 -1.26 -4.96 135.00 131.95 1uwi s PRO 152 Ca 0.00 2.56 0.07 0.00 0.02 0.00 0.00 61.00 63.65 1uwi s PRO 152 Cb 0.00 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 1uwi s PRO 152 CO 0.00 -0.56 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.42 1uwi s LEU 153 N -1.43 2.60 0.41 -5.54 1.43 -1.26 -4.80 118.68 110.10 1uwi s LEU 153 Ca 0.57 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.01 1uwi s LEU 153 Cb -0.47 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 1uwi s LEU 153 CO 0.57 0.27 1.48 -2.16 0.23 0.00 0.00 176.35 176.74 1uwi s PRO 154 N -1.28 3.90 0.47 1.29 0.04 -1.26 -1.00 135.00 137.17 1uwi s PRO 154 Ca 0.14 2.54 0.23 0.00 0.04 0.00 0.00 61.00 63.94 1uwi s PRO 154 Cb -0.10 -2.83 1.25 0.00 0.04 0.00 0.00 34.50 32.86 1uwi s PRO 154 CO 0.04 -0.69 1.90 -0.07 0.04 0.00 0.00 177.00 178.23 1uwi h LEU 155 N 2.68 0.21 0.00 -3.56 3.38 -0.69 0.35 115.31 117.69 1uwi h LEU 155 Ca -0.51 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1uwi h LEU 155 Cb 1.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1uwi h LEU 155 CO 0.63 0.09 0.00 -2.67 0.09 0.00 0.00 178.44 176.58 1uwi n TRP 156 N -4.41 0.00 0.23 1.13 4.27 -1.26 -2.05 117.44 115.35 1uwi n TRP 156 Ca 0.16 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.81 1uwi n TRP 156 Cb 0.73 -0.22 -0.05 0.00 -1.36 0.00 0.00 31.31 30.41 1uwi n TRP 156 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1uwi n LEU 157 N -1.22 0.23 -3.28 5.67 4.77 0.10 -4.84 117.00 118.42 1uwi n LEU 157 Ca 0.08 -0.35 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 1uwi n LEU 157 Cb 0.11 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1uwi n LEU 157 CO 0.11 0.06 0.27 -2.28 -1.33 0.00 0.00 177.39 174.22 1uwi s HIS 158 N -1.93 -1.35 -0.63 -1.77 5.04 -0.87 -0.55 115.29 113.24 1uwi s HIS 158 Ca 0.01 1.68 -0.12 0.00 -1.54 0.00 0.00 55.06 55.09 1uwi s HIS 158 Cb 0.05 0.56 0.16 0.00 0.04 0.00 0.00 32.58 33.40 1uwi s HIS 158 CO 0.30 -0.72 0.54 0.34 -2.34 0.00 0.00 174.74 172.86 1uwi s ASP 159 N 2.85 6.13 0.36 9.88 -1.08 -0.45 -4.37 116.67 130.00 1uwi s ASP 159 Ca 0.10 -2.25 0.07 0.00 -0.52 0.00 0.00 52.55 49.95 1uwi s ASP 159 Cb -0.13 -2.11 0.76 0.00 -1.46 0.00 0.00 42.92 39.97 1uwi s ASP 159 CO -0.19 -0.66 1.94 1.55 0.52 0.00 0.00 175.17 178.33 1uwi h PRO 160 N 8.18 0.72 -0.39 4.34 0.13 -1.86 -2.80 132.00 140.33 1uwi h PRO 160 Ca -0.11 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.90 1uwi h PRO 160 Cb 1.05 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1uwi h PRO 160 CO 0.86 0.48 -0.08 0.82 -0.23 0.00 0.00 178.00 179.84 1uwi h ILE 161 N 0.75 1.27 0.01 -3.56 1.08 -1.92 0.01 117.51 115.15 1uwi h ILE 161 Ca 0.34 -1.16 0.03 0.00 -0.39 0.00 0.00 64.86 63.68 1uwi h ILE 161 Cb 0.36 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 1uwi h ILE 161 CO -0.12 0.39 -0.19 -0.09 -0.69 0.00 0.00 178.15 177.44 1uwi h ARG 162 N 0.54 -0.31 -0.72 2.37 2.43 -1.83 -1.66 114.38 115.21 1uwi h ARG 162 Ca 0.10 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1uwi h ARG 162 Cb 0.59 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1uwi h ARG 162 CO 0.04 -0.20 0.23 0.28 -1.51 0.00 0.00 179.97 178.80 1uwi h VAL 163 N -0.32 1.26 -0.32 0.20 2.07 -1.45 -2.25 116.25 115.45 1uwi h VAL 163 Ca 0.05 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1uwi h VAL 163 Cb 0.39 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1uwi h VAL 163 CO -0.17 0.35 0.21 -0.09 0.02 0.00 0.00 177.57 177.89 1uwi h ARG 164 N 1.08 0.30 -0.00 1.57 1.12 -0.47 -0.03 114.38 117.94 1uwi h ARG 164 Ca 0.23 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.09 1uwi h ARG 164 Cb 0.30 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 1uwi h ARG 164 CO -0.01 0.20 -0.00 0.54 -3.11 0.00 0.00 179.97 177.59 1uwi n ARG 165 N -4.49 0.96 -0.43 0.20 1.74 -0.67 -4.83 116.66 109.15 1uwi n ARG 165 Ca 0.03 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1uwi n ARG 165 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1uwi n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uwi n GLY 166 N 1.05 0.76 3.52 -0.13 0.00 -0.02 -5.04 105.19 105.32 1uwi n GLY 166 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1uwi n GLY 166 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uwi s ASP 167 N -2.40 6.26 -0.33 1.61 2.15 -0.93 -4.95 116.67 118.08 1uwi s ASP 167 Ca 0.00 -0.36 0.09 0.00 0.43 0.00 0.00 52.55 52.71 1uwi s ASP 167 Cb 0.00 -2.25 0.62 0.00 -0.30 0.00 0.00 42.92 40.99 1uwi s ASP 167 CO 0.00 -0.57 1.69 0.49 -0.17 0.00 0.00 175.17 176.61 1uwi n PHE 168 N 5.76 2.03 1.17 -5.34 3.72 -1.26 -3.50 117.46 120.03 1uwi n PHE 168 Ca -0.06 -1.48 0.12 0.00 -0.05 0.00 0.00 57.45 55.98 1uwi n PHE 168 Cb 0.48 -0.66 0.23 0.00 -0.94 0.00 0.00 39.48 38.59 1uwi n PHE 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1uwi n THR 169 N -0.80 0.00 -3.06 4.37 -2.24 -1.26 -4.96 114.28 106.33 1uwi n THR 169 Ca 0.42 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1uwi n THR 169 Cb 1.31 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 70.48 1uwi n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uwi n GLY 170 N 1.33 4.82 3.62 3.38 0.00 -1.26 -5.03 105.19 112.05 1uwi n GLY 170 Ca 0.13 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1uwi n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uwi n PRO 171 N -0.14 2.20 -0.87 1.61 -0.02 -1.26 -4.86 135.00 131.66 1uwi n PRO 171 Ca 0.00 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.13 1uwi n PRO 171 Cb 0.00 -3.18 0.29 0.00 -0.02 0.00 0.00 33.50 30.58 1uwi n PRO 171 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1uwi n SER 172 N 10.66 4.38 0.00 2.55 3.41 -1.22 -1.34 113.62 132.06 1uwi n SER 172 Ca 0.27 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1uwi n SER 172 Cb 0.44 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1uwi n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwi n GLY 173 N -0.33 2.95 0.00 5.00 0.00 0.29 -1.69 105.19 111.40 1uwi n GLY 173 Ca 0.35 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1uwi n GLY 173 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1uwi n TRP 174 N 14.00 0.00 1.01 1.61 7.02 -1.26 -1.36 117.44 138.46 1uwi n TRP 174 Ca 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 1uwi n TRP 174 Cb 0.00 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.22 1uwi n TRP 174 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1uwi n LEU 175 N -0.89 0.41 -4.43 -0.99 4.77 -0.68 -4.26 117.00 110.93 1uwi n LEU 175 Ca 0.06 0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 1uwi n LEU 175 Cb 0.03 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 1uwi n LEU 175 CO 0.04 0.10 -0.44 -0.55 -1.33 0.00 0.00 177.39 175.21 1uwi s SER 176 N -2.98 4.07 0.24 -1.43 0.15 -0.47 -4.98 113.70 108.30 1uwi s SER 176 Ca 0.12 -0.25 0.23 0.00 0.70 0.00 0.00 55.95 56.74 1uwi s SER 176 Cb 0.18 -1.27 0.95 0.00 -1.71 0.00 0.00 66.02 64.17 1uwi s SER 176 CO 0.66 0.25 1.68 0.35 1.20 0.00 0.00 173.24 177.39 1uwi n THR 177 N 2.95 0.85 -0.14 6.45 -2.24 -1.26 -1.66 114.28 119.23 1uwi n THR 177 Ca -0.18 0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 1uwi n THR 177 Cb 0.52 -1.17 0.21 0.00 -2.10 0.00 0.00 70.33 67.80 1uwi n THR 177 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1uwi h ARG 178 N 0.00 0.84 -0.45 -0.78 9.65 -1.92 0.51 114.38 122.23 1uwi h ARG 178 Ca 0.00 -0.14 -0.11 0.00 -1.10 0.00 0.00 59.98 58.62 1uwi h ARG 178 Cb 0.34 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1uwi h ARG 178 CO 0.00 0.71 -0.17 1.15 2.80 0.00 0.00 179.97 184.47 1uwi h THR 179 N 0.82 1.27 0.03 0.20 2.02 -1.55 -1.09 112.91 114.62 1uwi h THR 179 Ca 0.19 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1uwi h THR 179 Cb 0.21 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1uwi h THR 179 CO -0.01 0.45 -0.03 0.58 0.37 0.00 0.00 175.52 176.87 1uwi h VAL 180 N 0.74 0.93 -0.01 3.16 2.07 -1.39 0.13 116.25 121.88 1uwi h VAL 180 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1uwi h VAL 180 Cb 0.73 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1uwi h VAL 180 CO 0.06 0.00 -0.16 0.22 0.02 0.00 0.00 177.57 177.71 1uwi h TYR 181 N -0.07 -0.41 -0.08 1.57 5.03 -0.79 -2.22 116.97 119.99 1uwi h TYR 181 Ca 0.00 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 1uwi h TYR 181 Cb 0.07 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1uwi h TYR 181 CO -0.09 -0.23 -0.22 0.93 -1.32 0.00 0.00 178.16 177.23 1uwi h GLU 182 N -0.26 0.13 -0.46 1.82 4.39 -1.05 -2.82 114.58 116.33 1uwi h GLU 182 Ca 0.06 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1uwi h GLU 182 Cb 0.33 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1uwi h GLU 182 CO -0.16 0.35 -0.20 0.35 -1.16 0.00 0.00 179.01 178.19 1uwi h PHE 183 N 0.12 1.03 0.01 4.33 3.57 -0.51 0.31 116.94 125.80 1uwi h PHE 183 Ca 0.02 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1uwi h PHE 183 Cb 0.47 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1uwi h PHE 183 CO 0.00 1.02 -0.00 0.00 -2.23 0.00 0.00 178.31 177.10 1uwi h ALA 184 N 0.97 -0.01 -0.57 2.41 0.00 -1.17 0.44 119.26 121.34 1uwi h ALA 184 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uwi h ALA 184 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1uwi h ALA 184 CO 0.06 -0.49 0.37 0.00 0.00 0.00 0.00 179.25 179.19 1uwi h ARG 185 N -0.03 0.75 -0.23 0.00 3.08 -1.39 -1.71 114.38 114.84 1uwi h ARG 185 Ca -0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1uwi h ARG 185 Cb 0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1uwi h ARG 185 CO 0.00 0.50 0.11 0.35 -1.07 0.00 0.00 179.97 179.86 1uwi h PHE 186 N 0.77 0.20 -0.42 3.04 3.57 -0.64 0.50 116.94 123.95 1uwi h PHE 186 Ca 0.21 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1uwi h PHE 186 Cb -0.08 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1uwi h PHE 186 CO -0.03 0.11 0.26 0.77 -2.23 0.00 0.00 178.31 177.18 1uwi h SER 187 N 0.23 0.43 -0.66 0.41 0.02 -0.61 -0.98 113.55 112.39 1uwi h SER 187 Ca 0.09 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1uwi h SER 187 Cb 0.03 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1uwi h SER 187 CO -0.07 0.31 0.39 0.00 -1.14 0.00 0.00 176.83 176.32 1uwi h ALA 188 N 1.18 0.85 -0.03 3.77 0.00 -1.04 -1.94 119.26 122.06 1uwi h ALA 188 Ca 0.17 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1uwi h ALA 188 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1uwi h ALA 188 CO -0.07 0.33 -0.12 -0.92 0.00 0.00 0.00 179.25 178.47 1uwi h TYR 189 N 0.90 -0.30 -0.55 0.00 3.20 -0.25 0.38 116.97 120.35 1uwi h TYR 189 Ca 0.24 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1uwi h TYR 189 Cb -0.02 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1uwi h TYR 189 CO -0.01 -0.18 0.34 1.15 -1.64 0.00 0.00 178.16 177.82 1uwi h THR 190 N -0.19 1.16 -0.56 1.81 2.02 -1.00 -1.56 112.91 114.58 1uwi h THR 190 Ca 0.05 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1uwi h THR 190 Cb 0.26 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1uwi h THR 190 CO -0.14 0.16 0.16 0.00 0.37 0.00 0.00 175.52 176.07 1uwi h ALA 191 N 1.18 1.22 -0.25 6.16 0.00 -1.14 0.20 119.26 126.63 1uwi h ALA 191 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1uwi h ALA 191 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1uwi h ALA 191 CO -0.04 0.54 0.01 2.35 0.00 0.00 0.00 179.25 182.11 1uwi h TRP 192 N 0.83 0.37 0.00 0.00 7.01 -0.28 -0.61 115.95 123.27 1uwi h TRP 192 Ca 0.19 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1uwi h TRP 192 Cb 0.26 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1uwi h TRP 192 CO 0.02 0.37 -1.77 1.63 -2.79 0.00 0.00 178.44 175.90 1uwi n LYS 193 N -4.34 0.64 -0.00 2.65 5.02 -0.65 -4.54 118.16 116.93 1uwi n LYS 193 Ca 0.01 -0.13 0.02 0.00 -2.02 0.00 0.00 58.31 56.19 1uwi n LYS 193 Cb 0.20 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1uwi n LYS 193 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1uwi n PHE 194 N -2.34 0.01 -0.29 2.13 3.72 0.63 -4.75 117.46 116.57 1uwi n PHE 194 Ca -0.03 -0.04 0.26 0.00 -0.05 0.00 0.00 57.45 57.59 1uwi n PHE 194 Cb 0.56 -0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.70 1uwi n PHE 194 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1uwi h ASP 195 N 0.69 0.26 0.61 4.37 3.58 -1.29 0.30 116.42 124.93 1uwi h ASP 195 Ca 0.00 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1uwi h ASP 195 Cb 0.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1uwi h ASP 195 CO 0.00 0.06 -0.04 -2.24 -2.88 0.00 0.00 179.24 174.14 1uwi h ASP 196 N 0.23 0.00 0.00 2.28 2.03 -1.85 -2.96 116.42 116.15 1uwi h ASP 196 Ca 0.54 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.74 1uwi h ASP 196 Cb 1.67 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.15 1uwi h ASP 196 CO -0.16 0.04 -2.05 0.18 -1.03 0.00 0.00 179.24 176.22 1uwi n LEU 197 N -3.21 0.00 -4.80 0.15 4.77 1.00 -4.99 117.00 109.92 1uwi n LEU 197 Ca -0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 1uwi n LEU 197 Cb 0.23 0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1uwi n LEU 197 CO 0.26 0.14 0.50 -0.69 -1.33 0.00 0.00 177.39 176.26 1uwi s VAL 198 N -3.15 4.43 -0.24 4.08 1.01 -0.82 -4.78 120.40 120.92 1uwi s VAL 198 Ca -0.08 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.36 1uwi s VAL 198 Cb 0.11 -3.95 -0.13 0.00 0.00 0.00 0.00 36.38 32.41 1uwi s VAL 198 CO 0.84 0.25 -0.26 0.47 0.00 0.00 0.00 175.10 176.39 1uwi n ASP 199 N 0.83 1.98 -3.84 3.32 8.00 -0.54 -4.94 116.55 121.36 1uwi n ASP 199 Ca -0.02 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 1uwi n ASP 199 Cb 0.50 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 40.95 1uwi n ASP 199 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1uwi s GLU 200 N -2.46 0.38 0.22 -1.24 2.02 -1.04 -4.37 118.70 112.20 1uwi s GLU 200 Ca -0.33 -0.09 0.07 0.00 0.02 0.00 0.00 54.97 54.63 1uwi s GLU 200 Cb 0.11 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 1uwi s GLU 200 CO 0.49 -0.08 0.15 0.71 0.02 0.00 0.00 175.26 176.55 1uwi s TYR 201 N -0.71 3.07 -0.03 1.61 2.02 0.17 0.02 117.35 123.50 1uwi s TYR 201 Ca -0.08 -0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1uwi s TYR 201 Cb -0.05 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1uwi s TYR 201 CO 0.01 0.53 0.05 0.45 -1.57 0.00 0.00 175.55 175.02 1uwi s SER 202 N -3.53 0.04 -0.03 2.29 0.15 0.22 -0.98 113.70 111.86 1uwi s SER 202 Ca 0.32 0.09 -0.26 0.00 0.70 0.00 0.00 55.95 56.80 1uwi s SER 202 Cb -0.09 -0.02 -0.21 0.00 -1.71 0.00 0.00 66.02 64.00 1uwi s SER 202 CO 0.24 -0.13 1.22 0.71 1.20 0.00 0.00 173.24 176.47 1uwi h THR 203 N 6.26 1.43 -3.74 6.45 1.35 -1.65 0.41 112.91 123.41 1uwi h THR 203 Ca -0.45 -1.26 -0.08 0.00 -0.55 0.00 0.00 66.41 64.07 1uwi h THR 203 Cb 1.12 2.28 -0.11 0.00 -1.73 0.00 0.00 68.15 69.71 1uwi h THR 203 CO 0.47 0.33 -0.21 0.00 -0.25 0.00 0.00 175.52 175.85 1uwi s MET 204 N -4.07 1.31 -0.16 4.72 0.23 -1.26 -2.27 119.30 117.80 1uwi s MET 204 Ca -0.16 -1.16 -0.01 0.00 -1.03 0.00 0.00 55.69 53.33 1uwi s MET 204 Cb 0.01 0.43 -0.01 0.00 -1.53 0.00 0.00 34.83 33.73 1uwi s MET 204 CO 0.68 -0.52 -0.10 1.21 -2.03 0.00 0.00 175.02 174.26 1uwi s ASN 205 N -2.97 4.10 -1.14 -1.18 2.47 -0.14 -1.93 114.94 114.15 1uwi s ASN 205 Ca 0.18 -0.34 -0.29 0.00 0.42 0.00 0.00 52.86 52.83 1uwi s ASN 205 Cb 0.02 -1.65 0.04 0.00 -1.45 0.00 0.00 41.25 38.20 1uwi s ASN 205 CO 0.03 0.11 0.66 -0.62 -3.72 0.00 0.00 177.10 173.56 1uwi n GLU 206 N 3.90 -0.46 0.25 0.43 1.02 0.16 -4.67 120.64 121.27 1uwi n GLU 206 Ca -0.18 0.19 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1uwi n GLU 206 Cb 0.52 -2.37 0.65 0.00 -0.02 0.00 0.00 31.44 30.22 1uwi n GLU 206 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1uwi h PRO 207 N -2.19 0.00 -0.24 3.49 0.13 -1.87 -2.16 132.00 129.15 1uwi h PRO 207 Ca -0.70 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.35 1uwi h PRO 207 Cb 1.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1uwi h PRO 207 CO 0.49 0.08 -0.16 -2.95 -0.23 0.00 0.00 178.00 175.23 1uwi h ASN 208 N 0.00 0.41 -0.17 1.44 -1.07 -1.92 -2.42 115.58 111.85 1uwi h ASN 208 Ca -0.00 -0.11 -0.19 0.00 0.07 0.00 0.00 56.30 56.06 1uwi h ASN 208 Cb 0.17 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 1uwi h ASN 208 CO 0.01 0.60 -0.63 0.58 0.07 0.00 0.00 177.43 178.06 1uwi h VAL 209 N 0.39 1.29 0.14 6.14 2.07 -1.75 0.99 116.25 125.51 1uwi h VAL 209 Ca 0.07 -1.83 0.02 0.00 0.82 0.00 0.00 66.70 65.77 1uwi h VAL 209 Cb 0.52 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1uwi h VAL 209 CO 0.03 0.59 -0.26 0.58 0.02 0.00 0.00 177.57 178.53 1uwi h VAL 210 N 0.58 0.43 -0.01 2.57 2.07 -1.31 0.11 116.25 120.69 1uwi h VAL 210 Ca -0.01 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.30 1uwi h VAL 210 Cb 1.23 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1uwi h VAL 210 CO 0.13 0.00 -0.88 1.23 0.02 0.00 0.00 177.57 178.07 1uwi h GLY 211 N -0.48 0.35 0.64 2.17 0.00 -1.49 -2.21 103.07 102.04 1uwi h GLY 211 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1uwi h GLY 211 CO -0.14 0.53 -0.20 -1.33 0.00 0.00 0.00 176.54 175.40 1uwi h GLY 212 N 1.51 -0.58 2.00 4.60 0.00 -0.62 -2.87 103.07 107.12 1uwi h GLY 212 Ca -0.06 0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 1uwi h GLY 212 CO 0.14 -0.21 -0.59 1.41 0.00 0.00 0.00 176.54 177.30 1uwi h LEU 213 N -0.92 0.00 -0.85 3.11 3.38 -0.94 -0.94 115.31 118.15 1uwi h LEU 213 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1uwi h LEU 213 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1uwi h LEU 213 CO 0.09 0.59 -0.39 1.23 0.09 0.00 0.00 178.44 180.05 1uwi h GLY 214 N 2.58 0.41 0.00 0.83 0.00 -1.47 -3.31 103.07 102.10 1uwi h GLY 214 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1uwi h GLY 214 CO 0.08 0.35 0.00 -1.72 0.00 0.00 0.00 176.54 175.25 1uwi n TYR 215 N -4.03 0.00 0.06 5.60 4.01 -1.08 -2.06 117.16 119.66 1uwi n TYR 215 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1uwi n TYR 215 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1uwi n TYR 215 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1uwi n VAL 216 N -0.06 0.41 -1.75 -0.72 0.31 -0.43 -0.53 118.33 115.56 1uwi n VAL 216 Ca 0.00 0.13 -0.40 0.00 -0.01 0.00 0.00 64.34 64.07 1uwi n VAL 216 Cb 0.04 -1.06 -0.01 0.00 -0.91 0.00 0.00 33.84 31.90 1uwi n VAL 216 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uwi n GLY 217 N 2.45 4.82 0.23 2.92 0.00 -0.80 -4.73 105.19 110.08 1uwi n GLY 217 Ca 0.00 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.34 1uwi n GLY 217 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1uwi h VAL 218 N 2.84 0.00 0.00 1.61 -1.51 -1.87 -1.37 116.25 115.96 1uwi h VAL 218 Ca 0.75 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.22 1uwi h VAL 218 Cb 0.32 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1uwi h VAL 218 CO 1.61 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 178.24 1uwi n LYS 219 N -2.55 0.06 0.08 5.19 5.02 -1.26 -2.66 118.16 122.04 1uwi n LYS 219 Ca -0.02 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1uwi n LYS 219 Cb 0.06 -1.60 0.45 0.00 -0.02 0.00 0.00 35.03 33.92 1uwi n LYS 219 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1uwi n SER 220 N -1.72 0.52 -0.78 4.39 3.41 -0.51 -4.92 113.62 114.01 1uwi n SER 220 Ca 0.05 0.59 -0.05 0.00 -0.26 0.00 0.00 58.87 59.19 1uwi n SER 220 Cb 0.26 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1uwi n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwi n GLY 221 N 0.64 0.27 3.81 5.00 0.00 -1.09 -4.71 105.19 109.11 1uwi n GLY 221 Ca 0.04 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1uwi n GLY 221 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uwi s PHE 222 N -2.49 3.40 0.50 1.61 0.40 -1.26 -4.65 117.98 115.49 1uwi s PHE 222 Ca 0.04 0.34 -0.21 0.00 -0.60 0.00 0.00 56.93 56.50 1uwi s PHE 222 Cb -0.02 -1.84 -0.07 0.00 0.51 0.00 0.00 43.02 41.61 1uwi s PHE 222 CO 0.05 0.61 1.14 -1.25 0.70 0.00 0.00 175.22 176.47 1uwi s PRO 223 N -1.27 3.58 0.00 0.24 0.04 -1.26 -1.29 135.00 135.04 1uwi s PRO 223 Ca 0.18 1.67 0.30 0.00 0.04 0.00 0.00 61.00 63.18 1uwi s PRO 223 Cb -0.12 -2.20 1.42 0.00 0.04 0.00 0.00 34.50 33.64 1uwi s PRO 223 CO 0.08 -0.67 1.95 -0.35 0.04 0.00 0.00 177.00 178.05 1uwi n PRO 224 N -0.89 1.33 -3.02 0.56 -0.04 -1.25 -4.46 135.00 127.23 1uwi n PRO 224 Ca 0.09 -0.52 -0.19 0.00 -0.04 0.00 0.00 63.50 62.84 1uwi n PRO 224 Cb 0.50 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1uwi n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uwi n GLY 225 N 1.11 -0.33 3.41 0.55 0.00 -0.41 -3.83 105.19 105.68 1uwi n GLY 225 Ca 0.21 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1uwi n GLY 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1uwi s TYR 226 N -3.12 3.15 -0.33 1.61 6.14 -1.12 -4.90 117.35 118.79 1uwi s TYR 226 Ca 0.31 -0.69 -0.29 0.00 0.64 0.00 0.00 57.07 57.04 1uwi s TYR 226 Cb -0.14 -2.30 -0.00 0.00 0.42 0.00 0.00 41.96 39.94 1uwi s TYR 226 CO 0.38 -0.48 1.43 -1.17 0.64 0.00 0.00 175.55 176.35 1uwi s LEU 227 N 1.57 3.76 -0.30 6.97 2.96 -1.26 -4.24 118.68 128.14 1uwi s LEU 227 Ca 0.04 1.16 -0.10 0.00 -0.22 0.00 0.00 54.13 55.01 1uwi s LEU 227 Cb -0.17 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.15 1uwi s LEU 227 CO 0.04 -1.28 0.85 -0.55 -1.32 0.00 0.00 176.35 174.10 1uwi s SER 228 N 3.67 -0.85 0.16 3.68 0.15 0.31 -5.02 113.70 115.79 1uwi s SER 228 Ca 0.62 0.81 -0.15 0.00 0.70 0.00 0.00 55.95 57.93 1uwi s SER 228 Cb -0.17 1.82 0.05 0.00 -1.71 0.00 0.00 66.02 66.01 1uwi s SER 228 CO 0.28 -0.16 1.80 -0.26 1.20 0.00 0.00 173.24 176.10 1uwi h PHE 229 N 7.84 0.47 -0.09 3.44 0.04 -1.93 -1.83 116.94 124.88 1uwi h PHE 229 Ca -0.17 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1uwi h PHE 229 Cb 1.14 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 1uwi h PHE 229 CO 0.13 0.28 0.06 1.49 -0.60 0.00 0.00 178.31 179.67 1uwi h GLU 230 N 0.51 0.12 0.00 1.51 4.81 -1.95 -2.20 114.58 117.37 1uwi h GLU 230 Ca 0.17 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1uwi h GLU 230 Cb 0.01 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1uwi h GLU 230 CO -0.08 0.10 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.13 1uwi h LEU 231 N 0.10 0.00 -0.37 1.64 3.38 -1.92 -2.07 115.31 116.07 1uwi h LEU 231 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1uwi h LEU 231 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1uwi h LEU 231 CO -0.01 0.10 -0.31 -1.28 0.09 0.00 0.00 178.44 177.03 1uwi h SER 232 N 0.00 0.92 -0.45 -0.43 0.87 -0.76 -1.01 113.55 112.69 1uwi h SER 232 Ca -0.00 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 1uwi h SER 232 Cb 0.47 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1uwi h SER 232 CO 0.01 1.18 0.09 0.03 -0.53 0.00 0.00 176.83 177.61 1uwi h ARG 233 N 0.67 0.73 -0.59 2.24 3.08 -0.82 -1.14 114.38 118.55 1uwi h ARG 233 Ca 0.07 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1uwi h ARG 233 Cb 0.89 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1uwi h ARG 233 CO 0.08 0.75 0.39 -0.09 -1.07 0.00 0.00 179.97 180.03 1uwi h ARG 234 N 0.60 0.78 -0.30 0.04 2.43 -1.28 0.14 114.38 116.80 1uwi h ARG 234 Ca 0.14 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1uwi h ARG 234 Cb 0.36 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1uwi h ARG 234 CO 0.01 0.52 0.18 0.00 -1.51 0.00 0.00 179.97 179.17 1uwi h ALA 235 N 1.22 0.38 -0.35 2.80 0.00 -0.94 -0.75 119.26 121.62 1uwi h ALA 235 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1uwi h ALA 235 Cb -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1uwi h ALA 235 CO -0.05 -0.12 -0.09 0.52 0.00 0.00 0.00 179.25 179.50 1uwi h MET 236 N 0.38 0.59 -0.06 0.00 2.86 -0.81 -0.40 114.93 117.50 1uwi h MET 236 Ca 0.11 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1uwi h MET 236 Cb 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1uwi h MET 236 CO -0.02 0.68 0.02 -0.92 1.06 0.00 0.00 176.91 177.73 1uwi h TYR 237 N 0.55 0.09 -0.53 -0.22 3.20 -0.35 -1.24 116.97 118.47 1uwi h TYR 237 Ca 0.10 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1uwi h TYR 237 Cb 0.49 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1uwi h TYR 237 CO 0.02 0.24 0.04 -0.91 -1.64 0.00 0.00 178.16 175.91 1uwi h ASN 238 N -0.09 0.82 0.43 -2.11 2.35 -0.90 -1.94 115.58 114.14 1uwi h ASN 238 Ca 0.02 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 1uwi h ASN 238 Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1uwi h ASN 238 CO -0.00 0.86 -0.41 -0.29 -1.65 0.00 0.00 177.43 175.94 1uwi h ILE 239 N 0.81 1.27 -0.32 2.81 2.10 -0.95 0.19 117.51 123.42 1uwi h ILE 239 Ca 0.16 -1.41 -0.11 0.00 1.08 0.00 0.00 64.86 64.58 1uwi h ILE 239 Cb 0.43 1.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 1uwi h ILE 239 CO 0.02 0.40 -0.22 0.40 -1.08 0.00 0.00 178.15 177.66 1uwi h ILE 240 N 0.00 1.29 -0.42 2.19 2.04 -0.70 -1.52 117.51 120.40 1uwi h ILE 240 Ca -0.00 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 1uwi h ILE 240 Cb 0.73 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1uwi h ILE 240 CO 0.05 0.44 0.05 1.56 0.00 0.00 0.00 178.15 180.26 1uwi h GLN 241 N 0.48 0.71 -0.67 2.37 4.20 -0.93 -2.48 115.11 118.79 1uwi h GLN 241 Ca 0.06 -0.20 0.10 0.00 0.06 0.00 0.00 58.65 58.67 1uwi h GLN 241 Cb 0.78 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.41 1uwi h GLN 241 CO 0.06 0.76 0.30 0.00 -0.67 0.00 0.00 178.83 179.28 1uwi h ALA 242 N 0.92 0.91 0.16 3.87 0.00 -0.51 0.83 119.26 125.44 1uwi h ALA 242 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1uwi h ALA 242 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1uwi h ALA 242 CO 0.01 -0.12 -0.15 1.25 0.00 0.00 0.00 179.25 180.24 1uwi h HIS 243 N 0.51 -0.38 -0.43 0.00 -0.00 -0.95 0.14 115.15 114.04 1uwi h HIS 243 Ca 0.34 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.75 1uwi h HIS 243 Cb 0.40 0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.92 1uwi h HIS 243 CO -0.14 -0.23 0.20 0.00 -0.00 0.00 0.00 177.93 177.76 1uwi h ALA 244 N 0.48 0.53 -0.37 5.26 0.00 -0.94 0.15 119.26 124.37 1uwi h ALA 244 Ca -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1uwi h ALA 244 Cb 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1uwi h ALA 244 CO -0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 179.25 178.95 1uwi h ARG 245 N 0.40 0.63 -0.13 0.00 -0.00 -0.68 -1.98 114.38 112.63 1uwi h ARG 245 Ca 0.19 -0.19 -0.14 0.00 -0.50 0.00 0.00 59.98 59.34 1uwi h ARG 245 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 1uwi h ARG 245 CO -0.15 0.73 -0.51 0.00 0.00 0.00 0.00 179.97 180.04 1uwi h ALA 246 N 1.30 0.89 -0.45 0.04 0.00 -0.08 -0.60 119.26 120.37 1uwi h ALA 246 Ca 0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1uwi h ALA 246 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1uwi h ALA 246 CO 0.03 0.67 0.14 -0.92 0.00 0.00 0.00 179.25 179.17 1uwi h TYR 247 N 0.27 0.72 -0.38 0.00 5.03 -0.30 -1.25 116.97 121.07 1uwi h TYR 247 Ca 0.01 -0.07 -0.15 0.00 2.58 0.00 0.00 58.73 61.10 1uwi h TYR 247 Cb 1.00 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1uwi h TYR 247 CO 0.03 0.65 -0.34 -0.44 -1.32 0.00 0.00 178.16 176.74 1uwi h ASP 248 N 0.59 0.92 -0.08 -2.11 3.32 -1.18 -1.71 116.42 116.16 1uwi h ASP 248 Ca 0.14 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1uwi h ASP 248 Cb 0.27 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1uwi h ASP 248 CO -0.00 1.17 0.05 1.23 -1.72 0.00 0.00 179.24 179.96 1uwi h GLY 249 N 0.87 0.11 0.96 2.75 0.00 -0.92 -2.00 103.07 104.83 1uwi h GLY 249 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1uwi h GLY 249 CO 0.08 0.04 0.19 -2.22 0.00 0.00 0.00 176.54 174.63 1uwi h ILE 250 N 0.10 1.15 0.00 2.60 2.04 -1.20 -2.29 117.51 119.91 1uwi h ILE 250 Ca 0.03 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1uwi h ILE 250 Cb -0.01 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1uwi h ILE 250 CO -0.01 0.16 0.00 0.11 0.00 0.00 0.00 178.15 178.41 1uwi h LYS 251 N 0.45 0.00 0.00 2.37 1.79 -1.07 0.32 116.57 120.43 1uwi h LYS 251 Ca 0.13 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1uwi h LYS 251 Cb 0.09 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1uwi h LYS 251 CO -0.02 0.00 -0.09 0.77 -1.08 0.00 0.00 179.45 179.03 1uwi h SER 252 N 0.00 0.00 0.00 0.86 0.02 -0.76 -3.30 113.55 110.37 1uwi h SER 252 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uwi h SER 252 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1uwi h SER 252 CO 0.00 0.09 -0.65 0.52 -1.14 0.00 0.00 176.83 175.66 1uwi n VAL 253 N -3.15 0.00 -4.03 2.27 0.31 0.19 -5.07 118.33 108.85 1uwi n VAL 253 Ca 0.03 -0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.00 1uwi n VAL 253 Cb 0.50 0.74 -0.09 0.00 -0.91 0.00 0.00 33.84 34.07 1uwi n VAL 253 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1uwi s SER 254 N -1.91 0.30 0.00 4.52 0.15 0.88 -4.86 113.70 112.78 1uwi s SER 254 Ca 0.00 -0.94 0.10 0.00 0.70 0.00 0.00 55.95 55.81 1uwi s SER 254 Cb 0.03 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1uwi s SER 254 CO 0.19 -0.70 0.57 0.29 1.20 0.00 0.00 173.24 174.79 1uwi n LYS 255 N -0.02 2.61 -1.20 5.44 5.02 -1.26 -4.33 118.16 124.42 1uwi n LYS 255 Ca -0.12 -0.42 -0.33 0.00 -2.02 0.00 0.00 58.31 55.43 1uwi n LYS 255 Cb 0.62 -1.05 0.11 0.00 -0.02 0.00 0.00 35.03 34.70 1uwi n LYS 255 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uwi s LYS 256 N -1.56 1.82 0.37 1.97 -0.14 -1.26 -4.96 119.74 115.97 1uwi s LYS 256 Ca 0.07 1.63 -0.28 0.00 -1.36 0.00 0.00 55.97 56.04 1uwi s LYS 256 Cb 0.08 -1.81 -0.10 0.00 -1.68 0.00 0.00 37.83 34.32 1uwi s LYS 256 CO 0.31 -2.05 1.34 -2.14 -0.76 0.00 0.00 175.35 172.04 1uwi s PRO 257 N -4.24 4.17 -0.16 -1.68 0.02 -1.26 -4.85 135.00 126.99 1uwi s PRO 257 Ca 0.71 2.26 -0.00 0.00 0.02 0.00 0.00 61.00 63.99 1uwi s PRO 257 Cb -0.26 -2.94 0.04 0.00 0.02 0.00 0.00 34.50 31.36 1uwi s PRO 257 CO 0.50 -0.36 -0.06 0.08 -0.33 0.00 0.00 177.00 176.83 1uwi s VAL 258 N -1.18 1.16 0.00 3.83 1.01 -1.26 -0.66 120.40 123.30 1uwi s VAL 258 Ca 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1uwi s VAL 258 Cb -0.40 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1uwi s VAL 258 CO 0.53 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1uwi n GLY 259 N 4.86 7.15 3.18 4.51 0.00 -0.16 -1.00 105.19 123.73 1uwi n GLY 259 Ca -0.12 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 1uwi n GLY 259 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uwi s ILE 260 N 0.75 0.10 -0.18 -0.61 2.07 -1.16 -1.81 121.20 120.37 1uwi s ILE 260 Ca 0.00 -0.81 -0.02 0.00 -1.41 0.00 0.00 60.65 58.40 1uwi s ILE 260 Cb 0.00 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.76 1uwi s ILE 260 CO 0.00 -0.45 -0.08 -0.63 -1.91 0.00 0.00 174.94 171.87 1uwi s ILE 261 N -2.28 3.28 0.12 2.00 1.01 -0.81 0.03 121.20 124.54 1uwi s ILE 261 Ca -0.07 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.13 1uwi s ILE 261 Cb -0.02 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1uwi s ILE 261 CO -0.02 0.47 -0.25 -0.47 0.00 0.00 0.00 174.94 174.67 1uwi s TYR 262 N 0.92 2.37 -0.34 3.97 5.04 -0.35 0.36 117.35 129.32 1uwi s TYR 262 Ca -0.01 -0.35 -0.26 0.00 -2.44 0.00 0.00 57.07 54.00 1uwi s TYR 262 Cb -0.15 -1.29 0.01 0.00 0.35 0.00 0.00 41.96 40.88 1uwi s TYR 262 CO 0.00 0.33 0.92 0.00 -1.34 0.00 0.00 175.55 175.46 1uwi s ALA 263 N -1.05 3.46 0.34 3.97 0.00 -1.26 -2.04 121.76 125.17 1uwi s ALA 263 Ca 0.15 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 51.82 1uwi s ALA 263 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1uwi s ALA 263 CO 0.07 -1.48 0.14 -0.80 0.00 0.00 0.00 175.76 173.69 1uwi s ASN 264 N 1.77 4.71 -0.04 0.00 0.01 0.82 -4.96 114.94 117.25 1uwi s ASN 264 Ca 0.38 -0.75 -0.20 0.00 -0.71 0.00 0.00 52.86 51.57 1uwi s ASN 264 Cb -0.13 -0.75 0.04 0.00 0.41 0.00 0.00 41.25 40.83 1uwi s ASN 264 CO 0.16 -0.29 0.45 -0.55 -1.51 0.00 0.00 177.10 175.36 1uwi s SER 265 N -3.84 -0.37 -0.39 -1.22 0.15 -1.26 -4.37 113.70 102.40 1uwi s SER 265 Ca 0.37 0.37 -0.17 0.00 0.70 0.00 0.00 55.95 57.23 1uwi s SER 265 Cb -0.03 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1uwi s SER 265 CO 0.23 -0.48 0.42 -0.55 1.20 0.00 0.00 173.24 174.05 1uwi s SER 266 N -1.16 6.20 -0.36 5.45 0.15 -1.19 -4.90 113.70 117.89 1uwi s SER 266 Ca -0.12 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 55.77 1uwi s SER 266 Cb -0.03 -2.22 0.02 0.00 -1.71 0.00 0.00 66.02 62.08 1uwi s SER 266 CO 0.06 -0.49 1.12 -0.36 1.20 0.00 0.00 173.24 174.77 1uwi s PHE 267 N 2.11 3.00 -0.05 3.44 0.08 -1.26 -0.82 117.98 124.49 1uwi s PHE 267 Ca 0.12 1.03 0.01 0.00 0.12 0.00 0.00 56.93 58.22 1uwi s PHE 267 Cb -0.17 -3.91 -0.03 0.00 -0.57 0.00 0.00 43.02 38.34 1uwi s PHE 267 CO 0.13 -1.03 -0.06 -0.65 -0.10 0.00 0.00 175.22 173.51 1uwi s GLN 268 N 3.93 2.70 0.01 0.44 -1.52 -0.26 -4.92 119.66 120.05 1uwi s GLN 268 Ca 0.48 -0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 52.99 1uwi s GLN 268 Cb -0.12 -2.58 -0.04 0.00 -0.22 0.00 0.00 33.01 30.06 1uwi s GLN 268 CO 0.20 0.65 1.03 -1.25 -0.25 0.00 0.00 175.29 175.67 1uwi s PRO 269 N -1.01 4.53 0.20 2.91 0.04 -1.26 -1.00 135.00 139.41 1uwi s PRO 269 Ca 0.14 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1uwi s PRO 269 Cb -0.11 -3.44 0.14 0.00 0.04 0.00 0.00 34.50 31.13 1uwi s PRO 269 CO 0.03 -0.10 1.86 1.25 0.04 0.00 0.00 177.00 180.09 1uwi h LEU 270 N 6.82 0.85 -9.01 -3.56 5.85 -1.56 -3.44 115.31 111.26 1uwi h LEU 270 Ca -0.41 -0.04 -0.43 0.00 0.84 0.00 0.00 57.88 57.83 1uwi h LEU 270 Cb 1.22 -0.21 -0.14 0.00 0.37 0.00 0.00 40.66 41.89 1uwi h LEU 270 CO 0.76 0.64 -0.66 -0.89 -0.34 0.00 0.00 178.44 177.95 1uwi s THR 271 N -6.05 1.31 -1.31 1.05 2.01 -1.26 -5.01 115.64 106.38 1uwi s THR 271 Ca -0.13 -2.07 0.10 0.00 0.31 0.00 0.00 61.69 59.90 1uwi s THR 271 Cb 0.15 -2.40 0.15 0.00 0.01 0.00 0.00 72.50 70.41 1uwi s THR 271 CO 0.78 -0.31 1.25 -0.90 -0.69 0.00 0.00 174.62 174.75 1uwi n ASP 272 N -0.50 0.00 -1.33 3.53 5.68 -1.26 -1.49 116.55 121.18 1uwi n ASP 272 Ca -0.05 0.24 -0.02 0.00 -0.50 0.00 0.00 54.79 54.46 1uwi n ASP 272 Cb 0.64 -0.35 0.24 0.00 -1.14 0.00 0.00 41.12 40.51 1uwi n ASP 272 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1uwi n LYS 273 N -1.35 2.58 -0.08 0.11 2.85 -1.26 -4.32 118.16 116.69 1uwi n LYS 273 Ca 0.04 -3.04 0.07 0.00 -1.05 0.00 0.00 58.31 54.33 1uwi n LYS 273 Cb 0.09 -1.93 0.09 0.00 -0.65 0.00 0.00 35.03 32.63 1uwi n LYS 273 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1uwi n ASP 274 N -0.75 2.07 -0.27 -5.58 8.00 -0.56 -4.76 116.55 114.70 1uwi n ASP 274 Ca 0.33 -2.70 0.03 0.00 0.71 0.00 0.00 54.79 53.16 1uwi n ASP 274 Cb 1.12 -0.30 0.25 0.00 -0.02 0.00 0.00 41.12 42.17 1uwi n ASP 274 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1uwi h MET 275 N 0.00 0.98 0.00 -1.24 2.86 -1.75 -1.74 114.93 114.04 1uwi h MET 275 Ca 0.00 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1uwi h MET 275 Cb 0.89 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1uwi h MET 275 CO 0.00 0.65 -0.44 1.49 1.06 0.00 0.00 176.91 179.67 1uwi h GLU 276 N 1.01 0.00 -0.35 1.72 4.81 -1.95 -2.78 114.58 117.04 1uwi h GLU 276 Ca 0.35 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 1uwi h GLU 276 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1uwi h GLU 276 CO -0.11 0.44 -0.26 0.00 -0.73 0.00 0.00 179.01 178.35 1uwi h ALA 277 N 1.56 0.88 0.38 2.92 0.00 -1.68 -2.21 119.26 121.11 1uwi h ALA 277 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1uwi h ALA 277 Cb 0.92 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1uwi h ALA 277 CO 0.06 0.63 -0.18 0.28 0.00 0.00 0.00 179.25 180.03 1uwi h VAL 278 N 0.62 0.63 -0.74 0.00 2.07 -1.22 -0.85 116.25 116.75 1uwi h VAL 278 Ca 0.08 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1uwi h VAL 278 Cb 0.77 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1uwi h VAL 278 CO 0.06 0.01 0.39 -0.33 0.02 0.00 0.00 177.57 177.72 1uwi h GLU 279 N -0.53 0.64 -0.47 1.57 5.08 -1.45 0.19 114.58 119.60 1uwi h GLU 279 Ca -0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1uwi h GLU 279 Cb 0.41 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1uwi h GLU 279 CO 0.09 0.42 0.28 0.52 -1.00 0.00 0.00 179.01 179.32 1uwi h MET 280 N 0.66 0.63 -0.60 2.33 2.86 -1.17 -0.67 114.93 118.97 1uwi h MET 280 Ca 0.36 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.92 1uwi h MET 280 Cb 0.37 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1uwi h MET 280 CO -0.26 0.46 0.24 0.00 1.06 0.00 0.00 176.91 178.41 1uwi h ALA 281 N 1.13 0.77 -0.46 6.32 0.00 -0.04 -1.35 119.26 125.64 1uwi h ALA 281 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1uwi h ALA 281 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1uwi h ALA 281 CO -0.03 0.38 0.17 0.93 0.00 0.00 0.00 179.25 180.70 1uwi h GLU 282 N 0.82 0.66 -0.20 0.00 5.08 -0.23 -0.09 114.58 120.63 1uwi h GLU 282 Ca 0.20 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1uwi h GLU 282 Cb 0.19 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1uwi h GLU 282 CO -0.02 0.55 -0.18 -0.91 -1.00 0.00 0.00 179.01 177.45 1uwi h ASN 283 N 0.65 0.51 1.11 1.42 2.35 -0.62 0.67 115.58 121.67 1uwi h ASN 283 Ca 0.16 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.40 1uwi h ASN 283 Cb 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1uwi h ASN 283 CO -0.01 0.87 -0.21 0.44 -1.65 0.00 0.00 177.43 176.87 1uwi h ASP 284 N 0.15 0.00 0.00 5.81 3.32 -0.97 -1.96 116.42 122.77 1uwi h ASP 284 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1uwi h ASP 284 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1uwi h ASP 284 CO 0.05 0.21 -1.39 0.59 -1.72 0.00 0.00 179.24 176.98 1uwi n ASN 285 N -3.31 2.43 0.00 6.45 3.02 -0.07 -4.88 115.26 118.89 1uwi n ASN 285 Ca 0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1uwi n ASN 285 Cb 0.46 1.44 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 1uwi n ASN 285 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1uwi n ARG 286 N -1.81 0.00 -0.29 3.52 0.63 0.12 -4.89 116.66 113.95 1uwi n ARG 286 Ca -0.02 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.01 1uwi n ARG 286 Cb 0.26 0.00 0.26 0.00 0.45 0.00 0.00 32.46 33.43 1uwi n ARG 286 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1uwi h TRP 287 N 0.00 0.58 -0.54 -0.14 -0.00 -1.38 -2.09 115.95 112.38 1uwi h TRP 287 Ca 0.00 0.04 0.06 0.00 -0.00 0.00 0.00 58.89 58.99 1uwi h TRP 287 Cb 0.00 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 28.98 1uwi h TRP 287 CO 0.00 -0.01 0.25 0.11 -0.00 0.00 0.00 178.44 178.79 1uwi h TRP 288 N 0.42 0.45 -0.02 0.49 5.08 -1.59 0.27 115.95 121.05 1uwi h TRP 288 Ca 0.50 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.49 1uwi h TRP 288 Cb 0.88 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.92 1uwi h TRP 288 CO -0.16 0.19 0.00 0.35 -1.28 0.00 0.00 178.44 177.55 1uwi h PHE 289 N 0.48 0.03 0.00 0.12 3.04 -1.66 -2.91 116.94 116.03 1uwi h PHE 289 Ca 0.25 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.07 1uwi h PHE 289 Cb 0.21 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1uwi h PHE 289 CO -0.12 0.29 -0.60 0.74 -2.02 0.00 0.00 178.31 176.60 1uwi h PHE 290 N -0.24 0.00 0.00 0.41 -1.00 -1.25 -2.43 116.94 112.43 1uwi h PHE 290 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1uwi h PHE 290 Cb 0.27 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 1uwi h PHE 290 CO 0.02 0.60 -0.14 -0.44 -1.61 0.00 0.00 178.31 176.73 1uwi h ASP 291 N 0.00 0.00 0.05 2.17 3.32 -0.48 -0.49 116.42 120.99 1uwi h ASP 291 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1uwi h ASP 291 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1uwi h ASP 291 CO 0.08 0.14 -0.02 0.00 -1.72 0.00 0.00 179.24 177.72 1uwi h ALA 292 N 1.86 -0.07 -0.00 3.45 0.00 -1.23 0.88 119.26 124.15 1uwi h ALA 292 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1uwi h ALA 292 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uwi h ALA 292 CO 0.02 -0.22 -0.19 0.44 0.00 0.00 0.00 179.25 179.30 1uwi n ILE 293 N -4.83 0.00 -0.05 0.00 -5.35 -1.11 -1.56 119.36 106.45 1uwi n ILE 293 Ca -0.09 -0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 1uwi n ILE 293 Cb 0.30 -0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 1uwi n ILE 293 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1uwi n ILE 294 N -1.48 1.16 0.80 7.28 5.41 -0.20 -1.54 119.36 130.80 1uwi n ILE 294 Ca 0.07 0.05 0.13 0.00 1.00 0.00 0.00 62.75 63.99 1uwi n ILE 294 Cb 0.33 -1.89 0.32 0.00 -0.71 0.00 0.00 39.64 37.70 1uwi n ILE 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1uwi n ARG 295 N -3.90 0.14 -0.91 0.38 5.12 0.12 -0.55 116.66 117.06 1uwi n ARG 295 Ca -0.18 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1uwi n ARG 295 Cb 0.48 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 1uwi n ARG 295 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uwi n GLY 296 N 1.42 0.62 3.62 -0.13 0.00 -0.14 -4.74 105.19 105.84 1uwi n GLY 296 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1uwi n GLY 296 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwi s GLU 297 N -0.35 3.96 0.19 1.61 2.02 -0.82 -0.92 118.70 124.39 1uwi s GLU 297 Ca 0.00 0.76 -0.02 0.00 0.02 0.00 0.00 54.97 55.73 1uwi s GLU 297 Cb 0.00 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 1uwi s GLU 297 CO 0.00 -0.86 0.14 -1.50 0.02 0.00 0.00 175.26 173.06 1uwi s ILE 298 N 3.40 0.02 -0.21 -1.63 2.07 -0.94 -2.78 121.20 121.14 1uwi s ILE 298 Ca 0.39 -1.94 -0.02 0.00 -1.41 0.00 0.00 60.65 57.67 1uwi s ILE 298 Cb -0.13 -2.37 0.06 0.00 0.13 0.00 0.00 42.46 40.15 1uwi s ILE 298 CO 0.16 -0.10 0.02 0.28 -1.91 0.00 0.00 174.94 173.38 1uwi s THR 299 N -4.13 0.77 -0.09 4.00 -1.32 -1.26 -0.95 115.64 112.66 1uwi s THR 299 Ca 0.35 -0.74 -0.03 0.00 -1.21 0.00 0.00 61.69 60.06 1uwi s THR 299 Cb 0.07 -1.23 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 1uwi s THR 299 CO 0.09 -0.20 0.02 0.00 -2.21 0.00 0.00 174.62 172.33 1uwi s ARG 300 N 1.74 3.08 5.93 7.08 1.04 -1.07 -4.86 118.95 131.88 1uwi s ARG 300 Ca -0.02 -0.36 0.00 0.00 -1.04 0.00 0.00 55.73 54.31 1uwi s ARG 300 Cb -0.18 -2.86 0.00 0.00 -2.04 0.00 0.00 34.95 29.87 1uwi s ARG 300 CO -0.08 0.70 0.00 0.41 -0.04 0.00 0.00 175.30 176.29 1uwi n GLY 301 N 2.16 1.42 0.00 3.88 0.00 -1.26 -1.90 105.19 109.48 1uwi n GLY 301 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1uwi n GLY 301 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uwi n ASN 302 N 11.16 0.44 -4.80 1.61 4.13 -1.26 -5.07 115.26 121.46 1uwi n ASN 302 Ca 0.00 -1.17 -0.36 0.00 1.68 0.00 0.00 54.58 54.73 1uwi n ASN 302 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1uwi n ASN 302 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1uwi s GLU 303 N -0.17 3.83 -0.45 3.52 8.01 -0.80 -5.06 118.70 127.58 1uwi s GLU 303 Ca 0.00 -0.18 -0.24 0.00 0.01 0.00 0.00 54.97 54.56 1uwi s GLU 303 Cb 0.00 -3.31 0.03 0.00 -4.31 0.00 0.00 34.13 26.54 1uwi s GLU 303 CO 0.00 0.53 0.83 0.21 0.01 0.00 0.00 175.26 176.84 1uwi s LYS 304 N -0.30 3.45 0.53 1.61 2.47 -1.26 -2.61 119.74 123.62 1uwi s LYS 304 Ca 0.11 -0.02 0.04 0.00 -1.56 0.00 0.00 55.97 54.54 1uwi s LYS 304 Cb -0.11 -3.94 0.04 0.00 -1.46 0.00 0.00 37.83 32.36 1uwi s LYS 304 CO 0.01 -1.15 0.33 -0.89 0.16 0.00 0.00 175.35 173.81 1uwi n ILE 305 N 6.23 0.00 -3.46 5.43 2.08 -0.13 -5.00 119.36 124.51 1uwi n ILE 305 Ca 0.04 -2.17 -0.22 0.00 0.56 0.00 0.00 62.75 60.95 1uwi n ILE 305 Cb 0.48 0.05 -0.12 0.00 -0.75 0.00 0.00 39.64 39.30 1uwi n ILE 305 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1uwi s VAL 306 N -2.69 -0.26 -0.23 1.39 1.01 -1.26 -2.20 120.40 116.15 1uwi s VAL 306 Ca 0.25 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 1uwi s VAL 306 Cb -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1uwi s VAL 306 CO 0.16 -0.57 0.62 -0.13 0.00 0.00 0.00 175.10 175.18 1uwi s ARG 307 N 2.25 4.15 0.49 2.72 0.52 -0.10 -4.94 118.95 124.03 1uwi s ARG 307 Ca 0.09 0.56 0.25 0.00 -0.52 0.00 0.00 55.73 56.11 1uwi s ARG 307 Cb -0.15 -3.62 1.25 0.00 0.52 0.00 0.00 34.95 32.95 1uwi s ARG 307 CO -0.34 -0.34 1.99 -0.44 0.02 0.00 0.00 175.30 176.18 1uwi h ASP 308 N 7.74 0.00 0.63 0.23 3.32 -1.96 -1.87 116.42 124.51 1uwi h ASP 308 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1uwi h ASP 308 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1uwi h ASP 308 CO 0.77 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.56 1uwi n ASP 309 N -3.62 0.00 -0.05 6.45 5.75 -1.26 -3.11 116.55 120.72 1uwi n ASP 309 Ca -0.01 0.30 -0.02 0.00 -0.01 0.00 0.00 54.79 55.04 1uwi n ASP 309 Cb 0.30 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 39.87 1uwi n ASP 309 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uwi n LEU 310 N -1.42 0.00 -4.73 -2.12 4.77 -0.74 -4.85 117.00 107.90 1uwi n LEU 310 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1uwi n LEU 310 Cb 0.23 0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1uwi n LEU 310 CO 0.19 0.22 1.13 1.17 -1.33 0.00 0.00 177.39 178.77 1uwi n LYS 311 N -2.32 2.49 -1.76 3.23 4.81 -0.96 -3.20 118.16 120.45 1uwi n LYS 311 Ca -0.15 0.88 -0.17 0.00 -0.87 0.00 0.00 58.31 57.99 1uwi n LYS 311 Cb 0.75 -2.60 -0.05 0.00 0.02 0.00 0.00 35.03 33.14 1uwi n LYS 311 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uwi n GLY 312 N 1.58 1.09 2.50 3.14 0.00 0.29 -4.92 105.19 108.87 1uwi n GLY 312 Ca 0.07 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1uwi n GLY 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwi n ARG 313 N -2.55 3.95 -3.64 1.61 3.00 -0.59 -4.86 116.66 113.58 1uwi n ARG 313 Ca -0.19 -3.20 -0.04 0.00 -0.01 0.00 0.00 57.85 54.41 1uwi n ARG 313 Cb 0.60 -2.46 -0.07 0.00 0.00 0.00 0.00 32.46 30.53 1uwi n ARG 313 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1uwi s LEU 314 N -2.33 -0.71 -0.10 0.55 2.96 -1.26 -4.87 118.68 112.91 1uwi s LEU 314 Ca 0.55 1.14 0.14 0.00 -0.22 0.00 0.00 54.13 55.74 1uwi s LEU 314 Cb 0.25 2.04 -0.20 0.00 0.50 0.00 0.00 46.19 48.78 1uwi s LEU 314 CO -0.14 -0.18 0.16 0.47 -1.32 0.00 0.00 176.35 175.34 1uwi n ASP 315 N 4.01 1.40 -3.59 3.68 8.00 -0.17 -5.02 116.55 124.85 1uwi n ASP 315 Ca -0.19 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.20 1uwi n ASP 315 Cb 0.58 1.18 -0.03 0.00 -0.02 0.00 0.00 41.12 42.83 1uwi n ASP 315 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1uwi s TRP 316 N -2.63 -0.30 -0.13 1.24 1.48 -1.25 -4.46 118.94 112.89 1uwi s TRP 316 Ca -0.07 0.01 0.01 0.00 -1.06 0.00 0.00 56.10 54.99 1uwi s TRP 316 Cb 0.06 0.41 -0.01 0.00 -1.16 0.00 0.00 33.47 32.77 1uwi s TRP 316 CO 0.62 -0.82 -0.16 0.42 -4.06 0.00 0.00 176.95 172.95 1uwi s ILE 317 N -3.80 2.71 -0.33 0.66 1.01 -0.87 -3.00 121.20 117.59 1uwi s ILE 317 Ca 0.04 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 1uwi s ILE 317 Cb 0.00 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1uwi s ILE 317 CO -0.10 0.53 0.44 -0.83 0.00 0.00 0.00 174.94 174.98 1uwi s GLY 318 N 0.52 1.86 -0.28 6.18 0.00 0.10 -2.13 107.32 113.57 1uwi s GLY 318 Ca -0.11 -1.00 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 1uwi s GLY 318 CO 0.04 1.13 0.34 0.14 0.00 0.00 0.00 173.10 174.76 1uwi s VAL 319 N 2.22 5.19 -0.35 1.40 1.01 0.28 -1.21 120.40 128.95 1uwi s VAL 319 Ca 0.16 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 1uwi s VAL 319 Cb -0.16 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1uwi s VAL 319 CO 0.12 0.14 0.13 0.20 0.00 0.00 0.00 175.10 175.69 1uwi s ASN 320 N 1.67 5.39 -0.05 3.32 -0.87 -0.86 -1.00 114.94 122.55 1uwi s ASN 320 Ca 0.13 -1.16 0.04 0.00 -1.57 0.00 0.00 52.86 50.30 1uwi s ASN 320 Cb -0.16 -1.90 -0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1uwi s ASN 320 CO 0.10 -0.35 -0.17 -0.47 -2.57 0.00 0.00 177.10 173.64 1uwi s TYR 321 N 1.42 1.74 0.00 2.20 5.04 -0.23 -0.12 117.35 127.39 1uwi s TYR 321 Ca -0.01 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 1uwi s TYR 321 Cb -0.20 -1.17 0.00 0.00 0.35 0.00 0.00 41.96 40.94 1uwi s TYR 321 CO 0.03 -0.18 0.00 0.66 -1.34 0.00 0.00 175.55 174.72 1uwi n TYR 322 N 3.17 0.00 -3.79 4.97 4.01 -1.26 -4.13 117.16 120.13 1uwi n TYR 322 Ca -0.18 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.50 1uwi n TYR 322 Cb 0.53 0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.60 1uwi n TYR 322 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1uwi n THR 323 N -2.15 0.00 -2.34 -0.72 5.66 -1.26 -4.71 114.28 108.76 1uwi n THR 323 Ca 0.00 -0.75 -0.21 0.00 -3.05 0.00 0.00 64.05 60.04 1uwi n THR 323 Cb 0.29 0.83 0.12 0.00 -1.55 0.00 0.00 70.33 70.02 1uwi n THR 323 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1uwi n ARG 324 N -0.57 -0.33 -3.45 1.09 1.85 -1.26 -3.19 116.66 110.80 1uwi n ARG 324 Ca -0.06 -2.18 -0.14 0.00 -1.00 0.00 0.00 57.85 54.47 1uwi n ARG 324 Cb 0.54 -0.75 -0.11 0.00 -1.05 0.00 0.00 32.46 31.10 1uwi n ARG 324 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1uwi s THR 325 N -2.88 -0.44 0.03 8.89 2.01 -0.00 -3.80 115.64 119.45 1uwi s THR 325 Ca 0.59 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.29 1uwi s THR 325 Cb -0.03 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1uwi s THR 325 CO 0.40 -0.15 0.72 -0.69 -0.69 0.00 0.00 174.62 174.21 1uwi s VAL 326 N 2.42 4.79 0.17 3.82 1.01 -1.26 -1.10 120.40 130.25 1uwi s VAL 326 Ca 0.09 1.53 0.06 0.00 0.00 0.00 0.00 61.98 63.66 1uwi s VAL 326 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1uwi s VAL 326 CO -0.13 0.37 -0.13 0.68 0.00 0.00 0.00 175.10 175.88 1uwi s VAL 327 N -0.04 1.49 0.04 2.92 -7.23 -0.17 -0.79 120.40 116.62 1uwi s VAL 327 Ca 0.37 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1uwi s VAL 327 Cb -0.20 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1uwi s VAL 327 CO 0.21 -0.58 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.75 1uwi s LYS 328 N -3.41 0.53 0.06 4.82 -2.85 -0.46 -1.43 119.74 117.00 1uwi s LYS 328 Ca 0.17 -0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 54.15 1uwi s LYS 328 Cb -0.01 -0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 35.38 1uwi s LYS 328 CO 0.04 0.06 1.02 0.50 0.10 0.00 0.00 175.35 177.07 1uwi s ARG 329 N -1.39 4.58 0.00 1.78 3.00 -1.26 -1.03 118.95 124.64 1uwi s ARG 329 Ca -0.08 1.51 0.00 0.00 -1.00 0.00 0.00 55.73 56.16 1uwi s ARG 329 Cb -0.09 -3.40 0.00 0.00 0.00 0.00 0.00 34.95 31.46 1uwi s ARG 329 CO 0.00 0.01 0.00 0.25 0.00 0.00 0.00 175.30 175.56 1uwi n THR 330 N 3.44 0.00 0.00 4.11 -2.24 -0.82 -4.91 114.28 113.85 1uwi n THR 330 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1uwi n THR 330 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1uwi n THR 330 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uwi n GLY 331 N 4.21 -3.11 0.00 3.38 0.00 -1.26 -4.53 105.19 103.87 1uwi n GLY 331 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1uwi n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uwi n LYS 332 N -2.58 0.00 0.00 1.61 0.00 -1.26 -5.04 118.16 110.89 1uwi n LYS 332 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1uwi n LYS 332 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1uwi n LYS 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uwi n GLY 333 N 4.50 0.87 3.37 3.14 0.00 -1.26 -5.07 105.19 110.74 1uwi n GLY 333 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1uwi n GLY 333 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uwi s TYR 334 N 0.00 1.66 -0.06 1.61 -0.85 -1.26 -1.95 117.35 116.49 1uwi s TYR 334 Ca 0.00 -1.27 -0.06 0.00 -0.52 0.00 0.00 57.07 55.22 1uwi s TYR 334 Cb 0.00 -0.96 0.02 0.00 0.38 0.00 0.00 41.96 41.39 1uwi s TYR 334 CO 0.00 -0.39 0.17 0.08 -1.52 0.00 0.00 175.55 173.89 1uwi s VAL 335 N -3.54 0.00 0.40 -3.49 1.01 -0.20 -4.80 120.40 109.78 1uwi s VAL 335 Ca 0.34 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 1uwi s VAL 335 Cb 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 36.38 36.09 1uwi s VAL 335 CO 0.16 -0.00 0.94 -0.44 0.00 0.00 0.00 175.10 175.75 1uwi s SER 336 N 0.07 7.01 -0.11 3.32 0.01 -1.26 -1.35 113.70 121.38 1uwi s SER 336 Ca -0.00 1.70 -0.01 0.00 1.31 0.00 0.00 55.95 58.95 1uwi s SER 336 Cb -0.01 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1uwi s SER 336 CO 0.00 -0.29 -0.08 -0.76 0.41 0.00 0.00 173.24 172.52 1uwi s LEU 337 N -2.94 3.04 0.77 2.44 1.43 0.03 -4.94 118.68 118.51 1uwi s LEU 337 Ca 0.59 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1uwi s LEU 337 Cb -0.11 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.47 1uwi s LEU 337 CO 0.15 0.24 1.08 -0.83 0.23 0.00 0.00 176.35 177.22 1uwi s GLY 338 N -0.07 1.66 0.00 -3.19 0.00 -1.26 -3.66 107.32 100.80 1uwi s GLY 338 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1uwi s GLY 338 CO 0.03 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1uwi n GLY 339 N -1.57 0.70 3.20 0.20 0.00 0.18 -4.96 105.19 102.94 1uwi n GLY 339 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1uwi n GLY 339 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uwi s TYR 340 N -2.27 0.59 0.00 1.61 2.02 -1.24 -0.92 117.35 117.13 1uwi s TYR 340 Ca 0.00 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 1uwi s TYR 340 Cb 0.00 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.26 1uwi s TYR 340 CO 0.00 -0.55 0.00 0.41 -1.57 0.00 0.00 175.55 173.84 1uwi n GLY 341 N -0.08 2.78 0.14 0.71 0.00 -1.25 -0.84 105.19 106.64 1uwi n GLY 341 Ca -0.09 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1uwi n GLY 341 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1uwi h HIS 342 N 0.00 0.00 -1.86 1.61 3.86 -1.82 -0.32 115.15 116.62 1uwi h HIS 342 Ca 0.00 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.47 1uwi h HIS 342 Cb 0.00 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.21 1uwi h HIS 342 CO 0.00 0.00 1.00 0.41 0.86 0.00 0.00 177.93 180.20 1uwi n GLY 343 N 0.65 5.44 3.82 2.45 0.00 -0.02 -4.63 105.19 112.89 1uwi n GLY 343 Ca 0.04 -2.42 -0.26 0.00 0.00 0.00 0.00 46.02 43.38 1uwi n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwi s GLU 345 N -4.08 3.84 0.27 0.00 0.41 -1.26 -4.60 118.70 113.28 1uwi s GLU 345 Ca 0.34 1.25 -0.29 0.00 -0.41 0.00 0.00 54.97 55.87 1uwi s GLU 345 Cb 0.00 -2.11 -0.09 0.00 -1.78 0.00 0.00 34.13 30.15 1uwi s GLU 345 CO 0.20 -0.38 1.02 1.03 -0.49 0.00 0.00 175.26 176.64 1uwi s ARG 346 N -3.41 4.71 -1.13 1.61 0.52 -1.26 -3.88 118.95 116.10 1uwi s ARG 346 Ca 0.65 1.62 -0.25 0.00 -0.52 0.00 0.00 55.73 57.24 1uwi s ARG 346 Cb -0.14 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.17 1uwi s ARG 346 CO 0.22 0.33 0.74 0.09 0.02 0.00 0.00 175.30 176.70 1uwi n ASN 347 N 1.22 -4.91 0.00 0.23 4.13 -0.52 -4.91 115.26 110.49 1uwi n ASN 347 Ca -0.01 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 55.15 1uwi n ASN 347 Cb 0.46 -2.62 0.00 0.00 -1.54 0.00 0.00 39.78 36.08 1uwi n ASN 347 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1uwi n SER 348 N -2.43 1.25 -3.98 6.41 2.88 -1.25 -4.51 113.62 111.98 1uwi n SER 348 Ca -0.11 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.33 1uwi n SER 348 Cb 0.58 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.93 1uwi n SER 348 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1uwi s VAL 349 N 0.57 0.17 0.93 2.46 1.01 -1.26 -1.27 120.40 123.02 1uwi s VAL 349 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1uwi s VAL 349 Cb 0.00 -0.29 0.19 0.00 0.00 0.00 0.00 36.38 36.28 1uwi s VAL 349 CO 0.00 -0.43 1.29 -0.94 0.00 0.00 0.00 175.10 175.02 1uwi s SER 350 N -1.34 3.26 0.41 3.32 1.04 0.11 -4.72 113.70 115.78 1uwi s SER 350 Ca -0.13 0.20 0.29 0.00 0.48 0.00 0.00 55.95 56.79 1uwi s SER 350 Cb -0.09 -0.28 1.41 0.00 0.10 0.00 0.00 66.02 67.15 1uwi s SER 350 CO -0.01 -2.63 1.88 -0.07 0.98 0.00 0.00 173.24 173.38 1uwi h LEU 351 N -1.52 0.00 -1.04 2.42 3.38 -1.38 0.16 115.31 117.34 1uwi h LEU 351 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1uwi h LEU 351 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1uwi h LEU 351 CO 0.38 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.73 1uwi n ALA 352 N -1.89 2.93 -0.68 1.53 0.00 -1.26 -4.95 120.51 116.18 1uwi n ALA 352 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1uwi n ALA 352 Cb 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1uwi n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uwi n GLY 353 N 1.32 0.63 3.86 0.00 0.00 0.05 -5.06 105.19 105.98 1uwi n GLY 353 Ca 0.14 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1uwi n GLY 353 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwi s LEU 354 N 0.00 4.44 0.50 0.99 1.43 -1.26 -4.77 118.68 120.00 1uwi s LEU 354 Ca 0.00 0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 53.61 1uwi s LEU 354 Cb 0.00 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.76 1uwi s LEU 354 CO 0.00 0.35 1.39 -2.16 0.23 0.00 0.00 176.35 176.16 1uwi s PRO 355 N -1.11 3.43 0.14 1.29 0.04 -1.26 -0.71 135.00 136.82 1uwi s PRO 355 Ca 0.21 2.32 0.08 0.00 0.04 0.00 0.00 61.00 63.64 1uwi s PRO 355 Cb -0.15 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1uwi s PRO 355 CO 0.10 -0.99 -0.10 0.95 0.04 0.00 0.00 177.00 177.00 1uwi s THR 356 N -1.26 3.27 0.80 1.26 -4.23 -0.40 -1.72 115.64 113.37 1uwi s THR 356 Ca 0.66 -1.45 -0.14 0.00 -1.18 0.00 0.00 61.69 59.59 1uwi s THR 356 Cb -0.42 -2.57 0.19 0.00 1.34 0.00 0.00 72.50 71.04 1uwi s THR 356 CO 0.52 0.01 1.08 -1.54 -0.54 0.00 0.00 174.62 174.15 1uwi n SER 357 N 0.41 0.03 0.25 3.99 3.41 -0.27 -3.84 113.62 117.60 1uwi n SER 357 Ca -0.12 -1.38 0.17 0.00 -0.26 0.00 0.00 58.87 57.27 1uwi n SER 357 Cb 0.54 -0.83 0.84 0.00 -0.26 0.00 0.00 64.21 64.49 1uwi n SER 357 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1uwi h ASP 358 N -1.45 0.00 0.13 4.04 3.32 -1.50 0.33 116.42 121.29 1uwi h ASP 358 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1uwi h ASP 358 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1uwi h ASP 358 CO 0.25 0.00 -0.58 0.33 -1.72 0.00 0.00 179.24 177.51 1uwi n PHE 359 N -2.72 0.00 -1.10 4.55 -0.00 -1.26 -4.65 117.46 112.29 1uwi n PHE 359 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1uwi n PHE 359 Cb 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 39.48 39.53 1uwi n PHE 359 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1uwi n GLY 360 N 1.44 0.69 3.76 7.13 0.00 -0.01 -4.81 105.19 113.39 1uwi n GLY 360 Ca 0.08 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1uwi n GLY 360 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uwi s TRP 361 N -2.00 3.44 0.30 1.61 0.51 -1.26 -1.93 118.94 119.60 1uwi s TRP 361 Ca 0.00 0.35 -0.29 0.00 -2.12 0.00 0.00 56.10 54.05 1uwi s TRP 361 Cb 0.00 -2.05 -0.09 0.00 -0.81 0.00 0.00 33.47 30.51 1uwi s TRP 361 CO 0.00 0.43 1.08 -2.00 -0.51 0.00 0.00 176.95 175.95 1uwi s GLU 362 N -0.18 4.58 -0.38 4.98 2.12 -0.13 -1.11 118.70 128.58 1uwi s GLU 362 Ca 0.10 1.74 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 1uwi s GLU 362 Cb -0.12 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.19 1uwi s GLU 362 CO 0.01 0.18 1.25 0.12 -0.54 0.00 0.00 175.26 176.28 1uwi s PHE 363 N -1.24 2.72 -0.46 5.30 2.19 -0.70 -4.63 117.98 121.17 1uwi s PHE 363 Ca 0.46 0.83 0.06 0.00 0.33 0.00 0.00 56.93 58.62 1uwi s PHE 363 Cb -0.30 -4.11 0.20 0.00 -1.31 0.00 0.00 43.02 37.50 1uwi s PHE 363 CO 0.38 -1.52 0.60 0.34 1.83 0.00 0.00 175.22 176.86 1uwi n PHE 364 N 7.86 -2.24 -0.18 10.12 7.35 -1.26 -4.83 117.46 134.27 1uwi n PHE 364 Ca 0.14 -2.42 -0.02 0.00 -0.76 0.00 0.00 57.45 54.39 1uwi n PHE 364 Cb 0.48 0.80 0.08 0.00 0.35 0.00 0.00 39.48 41.19 1uwi n PHE 364 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1uwi h PRO 365 N 4.82 0.35 -1.09 -7.13 0.11 -1.92 -2.84 132.00 124.29 1uwi h PRO 365 Ca 0.08 -0.02 0.30 0.00 0.11 0.00 0.00 66.00 66.47 1uwi h PRO 365 Cb 0.99 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 1uwi h PRO 365 CO 0.26 0.23 0.73 0.93 -0.21 0.00 0.00 178.00 179.94 1uwi h GLU 366 N 0.36 0.25 -0.69 1.05 3.07 -1.96 0.07 114.58 116.73 1uwi h GLU 366 Ca 0.27 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.29 1uwi h GLU 366 Cb 0.32 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 1uwi h GLU 366 CO -0.28 0.16 0.48 0.78 -1.40 0.00 0.00 179.01 178.75 1uwi h GLY 367 N 0.26 0.26 1.34 -3.84 0.00 -1.90 -0.43 103.07 98.75 1uwi h GLY 367 Ca 0.59 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.73 1uwi h GLY 367 CO -0.22 0.02 -0.30 -2.00 0.00 0.00 0.00 176.54 174.04 1uwi h LEU 368 N 0.14 0.77 -0.46 3.11 5.85 -1.17 -1.65 115.31 121.90 1uwi h LEU 368 Ca 0.33 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1uwi h LEU 368 Cb 1.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1uwi h LEU 368 CO -0.05 1.02 0.10 0.22 -0.34 0.00 0.00 178.44 179.40 1uwi h TYR 369 N 0.63 0.78 0.11 1.25 3.20 -1.22 -1.87 116.97 119.86 1uwi h TYR 369 Ca 0.07 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1uwi h TYR 369 Cb 0.83 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1uwi h TYR 369 CO 0.04 0.72 -0.19 0.22 -1.64 0.00 0.00 178.16 177.31 1uwi h ASP 370 N 0.62 -0.54 -0.17 -2.11 3.58 -1.19 -1.36 116.42 115.25 1uwi h ASP 370 Ca 0.14 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1uwi h ASP 370 Cb 0.34 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1uwi h ASP 370 CO 0.00 -0.28 0.09 0.58 -2.88 0.00 0.00 179.24 176.76 1uwi h VAL 371 N -0.38 1.10 0.12 2.25 2.07 -1.25 -0.19 116.25 119.98 1uwi h VAL 371 Ca 0.02 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1uwi h VAL 371 Cb 0.39 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1uwi h VAL 371 CO -0.10 0.10 -0.16 -0.07 0.02 0.00 0.00 177.57 177.35 1uwi h LEU 372 N 0.17 -0.45 -0.85 2.57 3.38 -1.25 -1.18 115.31 117.70 1uwi h LEU 372 Ca 0.06 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1uwi h LEU 372 Cb 0.07 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1uwi h LEU 372 CO -0.01 -0.24 0.20 0.71 0.09 0.00 0.00 178.44 179.19 1uwi h THR 373 N -0.33 1.25 -0.10 0.22 1.35 -1.20 -1.60 112.91 112.49 1uwi h THR 373 Ca 0.02 -0.89 0.03 0.00 -0.55 0.00 0.00 66.41 65.02 1uwi h THR 373 Cb 0.34 0.52 -0.03 0.00 -1.73 0.00 0.00 68.15 67.25 1uwi h THR 373 CO -0.07 0.34 -0.05 0.11 -0.25 0.00 0.00 175.52 175.60 1uwi h LYS 374 N 1.01 -0.05 -0.57 4.72 1.79 -0.76 -0.40 116.57 122.32 1uwi h LYS 374 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1uwi h LYS 374 Cb 0.31 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1uwi h LYS 374 CO -0.01 -0.03 0.36 1.88 -1.08 0.00 0.00 179.45 180.58 1uwi h TYR 375 N -0.05 0.74 0.19 -1.35 0.05 -1.03 -2.81 116.97 112.71 1uwi h TYR 375 Ca 0.06 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1uwi h TYR 375 Cb 0.13 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1uwi h TYR 375 CO -0.17 0.48 -0.09 2.35 -1.05 0.00 0.00 178.16 179.68 1uwi h TRP 376 N 0.77 -0.24 0.00 4.88 2.91 -0.90 -1.98 115.95 121.40 1uwi h TRP 376 Ca 0.21 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1uwi h TRP 376 Cb -0.06 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 1uwi h TRP 376 CO -0.03 -0.11 0.00 -0.91 -1.03 0.00 0.00 178.44 176.37 1uwi h ASN 377 N -0.30 0.00 0.03 2.65 2.35 -1.05 0.16 115.58 119.42 1uwi h ASN 377 Ca -0.03 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.38 1uwi h ASN 377 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1uwi h ASN 377 CO 0.04 0.00 -1.93 -1.14 -1.65 0.00 0.00 177.43 172.76 1uwi n ARG 378 N -2.91 0.63 -0.00 0.81 0.63 -1.07 -4.74 116.66 110.01 1uwi n ARG 378 Ca -0.01 0.36 0.04 0.00 -0.92 0.00 0.00 57.85 57.32 1uwi n ARG 378 Cb 0.15 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.36 1uwi n ARG 378 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1uwi n TYR 379 N -3.99 0.00 -3.21 -0.14 4.01 -0.76 -5.02 117.16 108.05 1uwi n TYR 379 Ca -0.39 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.11 1uwi n TYR 379 Cb 0.87 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.77 1uwi n TYR 379 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1uwi n HIS 380 N -1.68 -1.97 -3.97 -0.72 8.25 0.54 -4.98 115.22 110.69 1uwi n HIS 380 Ca -0.01 0.54 -0.36 0.00 -0.26 0.00 0.00 57.72 57.63 1uwi n HIS 380 Cb 0.19 -3.95 -0.07 0.00 1.12 0.00 0.00 29.99 27.27 1uwi n HIS 380 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uwi s LEU 381 N -6.67 4.17 0.75 2.41 1.43 -1.26 -5.07 118.68 114.44 1uwi s LEU 381 Ca 0.37 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 1uwi s LEU 381 Cb -0.18 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.07 1uwi s LEU 381 CO 0.45 0.36 1.11 -0.72 0.23 0.00 0.00 176.35 177.79 1uwi s TYR 382 N -0.77 2.45 0.21 0.29 -0.85 -1.26 -4.72 117.35 112.70 1uwi s TYR 382 Ca 0.13 1.58 -0.08 0.00 -0.52 0.00 0.00 57.07 58.19 1uwi s TYR 382 Cb -0.12 -3.15 -0.02 0.00 0.38 0.00 0.00 41.96 39.05 1uwi s TYR 382 CO 0.03 -1.93 0.31 0.00 -1.52 0.00 0.00 175.55 172.44 1uwi s MET 383 N -4.52 1.34 0.04 -3.49 0.23 0.16 -2.05 119.30 111.02 1uwi s MET 383 Ca 0.65 -1.37 0.07 0.00 -1.03 0.00 0.00 55.69 54.01 1uwi s MET 383 Cb -0.20 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1uwi s MET 383 CO 0.50 -0.51 -0.20 0.71 -2.03 0.00 0.00 175.02 173.50 1uwi s TYR 384 N -4.06 1.75 -0.86 3.16 2.02 -0.90 -0.87 117.35 117.60 1uwi s TYR 384 Ca 0.27 -0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.39 1uwi s TYR 384 Cb 0.03 -1.04 0.10 0.00 -0.40 0.00 0.00 41.96 40.64 1uwi s TYR 384 CO 0.08 0.08 1.13 0.08 -1.57 0.00 0.00 175.55 175.35 1uwi s VAL 385 N -0.80 4.47 -0.79 0.71 1.01 -0.54 -0.56 120.40 123.91 1uwi s VAL 385 Ca 0.07 -1.06 0.24 0.00 0.00 0.00 0.00 61.98 61.23 1uwi s VAL 385 Cb -0.09 -4.79 0.23 0.00 0.00 0.00 0.00 36.38 31.73 1uwi s VAL 385 CO 0.02 -1.56 1.74 0.35 0.00 0.00 0.00 175.10 175.65 1uwi n THR 386 N 5.84 0.58 -3.64 3.92 -2.24 -0.17 -0.18 114.28 118.39 1uwi n THR 386 Ca 0.16 0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1uwi n THR 386 Cb 0.48 -0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 1uwi n THR 386 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1uwi s GLU 387 N -3.11 0.72 -0.29 -0.78 2.02 -1.08 -4.54 118.70 111.63 1uwi s GLU 387 Ca 0.09 1.15 -0.15 0.00 0.02 0.00 0.00 54.97 56.08 1uwi s GLU 387 Cb 0.13 0.19 0.14 0.00 0.10 0.00 0.00 34.13 34.68 1uwi s GLU 387 CO 0.47 -0.14 0.91 1.21 0.02 0.00 0.00 175.26 177.73 1uwi s ASN 388 N 1.35 -0.64 0.00 -0.19 2.47 -1.24 -1.07 114.94 115.63 1uwi s ASN 388 Ca -0.08 0.97 0.00 0.00 0.42 0.00 0.00 52.86 54.17 1uwi s ASN 388 Cb -0.05 1.42 0.00 0.00 -1.45 0.00 0.00 41.25 41.17 1uwi s ASN 388 CO -0.15 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.69 1uwi n GLY 389 N 4.22 0.63 3.50 1.21 0.00 -1.26 0.45 105.19 113.94 1uwi n GLY 389 Ca -0.16 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1uwi n GLY 389 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uwi s ILE 390 N -2.09 -0.00 -0.58 -0.61 2.07 -1.26 -4.92 121.20 113.81 1uwi s ILE 390 Ca 0.00 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.96 1uwi s ILE 390 Cb 0.00 -0.84 0.02 0.00 0.13 0.00 0.00 42.46 41.78 1uwi s ILE 390 CO 0.00 0.00 1.31 0.00 -1.91 0.00 0.00 174.94 174.34 1uwi s ALA 391 N 0.35 2.89 -0.45 1.50 0.00 -1.26 -4.22 121.76 120.57 1uwi s ALA 391 Ca -0.00 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1uwi s ALA 391 Cb -0.04 -4.08 0.18 0.00 0.00 0.00 0.00 23.12 19.17 1uwi s ALA 391 CO 0.00 -2.83 0.58 0.34 0.00 0.00 0.00 175.76 173.85 1uwi s ASP 392 N 3.76 -0.60 0.24 0.00 2.15 -0.50 -1.15 116.67 120.56 1uwi s ASP 392 Ca 0.47 -1.62 -0.07 0.00 0.43 0.00 0.00 52.55 51.77 1uwi s ASP 392 Cb -0.09 1.36 0.22 0.00 -0.30 0.00 0.00 42.92 44.11 1uwi s ASP 392 CO 0.25 -0.14 1.90 -0.78 -0.17 0.00 0.00 175.17 176.22 1uwi h ASP 393 N 6.04 1.09 0.88 -0.34 3.58 -1.90 -2.69 116.42 123.08 1uwi h ASP 393 Ca 0.08 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1uwi h ASP 393 Cb 1.09 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1uwi h ASP 393 CO 0.12 0.82 -0.21 0.00 -2.88 0.00 0.00 179.24 177.09 1uwi h ALA 394 N 1.32 1.04 -0.74 -0.78 0.00 -1.95 -3.47 119.26 114.67 1uwi h ALA 394 Ca 0.33 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1uwi h ALA 394 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1uwi h ALA 394 CO -0.07 0.27 -0.16 -3.47 0.00 0.00 0.00 179.25 175.82 1uwi n ASP 395 N -3.40 -3.18 -0.10 0.00 2.03 -1.01 -4.95 116.55 105.93 1uwi n ASP 395 Ca -0.00 0.07 -0.14 0.00 0.52 0.00 0.00 54.79 55.24 1uwi n ASP 395 Cb 0.41 -2.01 -0.04 0.00 -0.72 0.00 0.00 41.12 38.76 1uwi n ASP 395 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1uwi h TYR 396 N 0.00 1.06 0.00 -0.67 0.05 -1.91 -3.37 116.97 112.13 1uwi h TYR 396 Ca -0.16 -0.34 -0.12 0.00 0.05 0.00 0.00 58.73 58.15 1uwi h TYR 396 Cb 0.85 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 1uwi h TYR 396 CO 0.20 1.16 -2.05 1.04 -1.05 0.00 0.00 178.16 177.46 1uwi n GLN 397 N -4.08 0.73 -0.32 4.88 6.02 -1.26 -4.61 117.38 118.73 1uwi n GLN 397 Ca -0.04 -0.12 0.10 0.00 -0.01 0.00 0.00 57.00 56.93 1uwi n GLN 397 Cb 0.57 -1.48 0.27 0.00 1.02 0.00 0.00 30.24 30.62 1uwi n GLN 397 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1uwi h ARG 398 N 0.00 0.66 -0.66 -1.09 2.43 -1.92 0.73 114.38 114.54 1uwi h ARG 398 Ca -0.18 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1uwi h ARG 398 Cb 1.36 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 1uwi h ARG 398 CO 0.01 0.44 0.40 -1.35 -1.51 0.00 0.00 179.97 177.96 1uwi h PRO 399 N 0.68 0.75 -0.32 0.20 0.11 -1.82 0.37 132.00 131.97 1uwi h PRO 399 Ca 0.52 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.45 1uwi h PRO 399 Cb 0.79 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1uwi h PRO 399 CO -0.38 0.49 -0.34 1.88 -0.21 0.00 0.00 178.00 179.44 1uwi h TYR 400 N 0.77 0.96 -0.13 0.65 -1.99 -1.45 -2.69 116.97 113.09 1uwi h TYR 400 Ca 0.27 -0.29 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1uwi h TYR 400 Cb 0.07 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 1uwi h TYR 400 CO -0.06 1.08 0.07 -0.92 -0.00 0.00 0.00 178.16 178.33 1uwi h TYR 401 N 0.57 0.17 0.76 4.88 5.03 -0.42 -1.01 116.97 126.95 1uwi h TYR 401 Ca 0.05 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 1uwi h TYR 401 Cb 0.93 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 1uwi h TYR 401 CO 0.07 0.19 -0.50 1.25 -1.32 0.00 0.00 178.16 177.85 1uwi h LEU 402 N 0.11 -1.28 -0.87 2.82 5.85 -0.29 -2.28 115.31 119.38 1uwi h LEU 402 Ca 0.04 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1uwi h LEU 402 Cb 0.07 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1uwi h LEU 402 CO -0.01 -0.75 0.56 0.58 -0.34 0.00 0.00 178.44 178.49 1uwi h VAL 403 N -1.19 1.17 -0.38 1.05 2.07 -1.51 -2.00 116.25 115.46 1uwi h VAL 403 Ca -0.10 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1uwi h VAL 403 Cb 0.96 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1uwi h VAL 403 CO 0.08 0.20 0.19 0.28 0.02 0.00 0.00 177.57 178.35 1uwi h SER 404 N 1.12 0.49 0.29 0.57 0.02 -1.13 -1.14 113.55 113.77 1uwi h SER 404 Ca 0.33 -0.12 -0.17 0.00 -0.84 0.00 0.00 61.79 61.00 1uwi h SER 404 Cb -0.05 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1uwi h SER 404 CO -0.10 0.47 -0.68 0.45 -1.14 0.00 0.00 176.83 175.84 1uwi h HIS 405 N 0.48 0.46 -0.70 3.45 -0.00 -1.31 -2.14 115.15 115.39 1uwi h HIS 405 Ca 0.13 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 1uwi h HIS 405 Cb 0.11 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 1uwi h HIS 405 CO -0.02 0.92 0.23 0.28 -0.00 0.00 0.00 177.93 179.34 1uwi h VAL 406 N 0.25 1.25 -0.75 2.45 2.07 -1.25 -1.55 116.25 118.72 1uwi h VAL 406 Ca -0.02 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1uwi h VAL 406 Cb 1.23 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1uwi h VAL 406 CO 0.11 0.34 0.41 0.22 0.02 0.00 0.00 177.57 178.68 1uwi h TYR 407 N 1.04 1.02 -0.34 1.57 3.20 -1.00 -1.67 116.97 120.79 1uwi h TYR 407 Ca 0.23 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1uwi h TYR 407 Cb 0.28 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1uwi h TYR 407 CO 0.02 0.71 0.07 1.96 -1.64 0.00 0.00 178.16 179.28 1uwi h GLN 408 N 1.03 0.50 -0.40 1.82 1.08 -0.71 -0.19 115.11 118.25 1uwi h GLN 408 Ca 0.26 -0.08 -0.12 0.00 -1.45 0.00 0.00 58.65 57.26 1uwi h GLN 408 Cb 0.03 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1uwi h GLN 408 CO -0.04 0.48 -0.21 0.28 -0.95 0.00 0.00 178.83 178.38 1uwi h VAL 409 N 0.49 1.27 -0.59 -0.54 2.07 -0.62 -1.00 116.25 117.33 1uwi h VAL 409 Ca 0.11 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1uwi h VAL 409 Cb 0.22 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1uwi h VAL 409 CO -0.00 0.45 0.24 -0.74 0.02 0.00 0.00 177.57 177.54 1uwi h HIS 410 N 0.70 0.90 -0.39 1.57 -0.00 -0.42 -1.90 115.15 115.61 1uwi h HIS 410 Ca 0.10 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1uwi h HIS 410 Cb 0.73 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.85 1uwi h HIS 410 CO 0.04 0.72 0.00 -0.09 -0.00 0.00 0.00 177.93 178.60 1uwi h ARG 411 N 0.82 0.62 -0.23 5.26 2.43 -0.71 -2.09 114.38 120.49 1uwi h ARG 411 Ca 0.20 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 1uwi h ARG 411 Cb 0.20 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1uwi h ARG 411 CO -0.02 0.64 -0.50 0.00 -1.51 0.00 0.00 179.97 178.58 1uwi h ALA 412 N 1.42 0.70 -0.67 2.80 0.00 -0.82 -2.71 119.26 119.97 1uwi h ALA 412 Ca 0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1uwi h ALA 412 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1uwi h ALA 412 CO 0.01 0.68 0.17 0.82 0.00 0.00 0.00 179.25 180.93 1uwi h ILE 413 N 0.49 1.26 0.00 0.00 2.04 -1.03 -1.81 117.51 118.46 1uwi h ILE 413 Ca 0.02 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1uwi h ILE 413 Cb 1.05 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1uwi h ILE 413 CO 0.10 0.36 0.00 0.78 0.00 0.00 0.00 178.15 179.39 1uwi h ASN 414 N 1.00 0.00 0.92 1.72 2.35 -1.27 -0.33 115.58 119.97 1uwi h ASN 414 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1uwi h ASN 414 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1uwi h ASN 414 CO 0.00 0.00 -0.22 -1.20 -1.65 0.00 0.00 177.43 174.36 1uwi n SER 415 N -2.58 0.36 0.00 5.81 7.64 -0.75 -4.91 113.62 119.18 1uwi n SER 415 Ca 0.01 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1uwi n SER 415 Cb 0.25 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1uwi n SER 415 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwi n GLY 416 N 1.45 0.90 3.76 0.23 0.00 -0.13 -5.09 105.19 106.31 1uwi n GLY 416 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1uwi n GLY 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwi s ALA 417 N -2.00 3.53 -0.94 4.61 0.00 -0.80 -4.94 121.76 121.22 1uwi s ALA 417 Ca 0.00 1.23 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 1uwi s ALA 417 Cb 0.00 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.77 1uwi s ALA 417 CO 0.00 -0.63 1.12 0.34 0.00 0.00 0.00 175.76 176.59 1uwi s ASP 418 N -0.13 6.66 -0.24 0.00 -1.08 -1.26 -4.26 116.67 116.36 1uwi s ASP 418 Ca 0.53 -2.15 -0.05 0.00 -0.52 0.00 0.00 52.55 50.36 1uwi s ASP 418 Cb -0.39 -2.38 -0.00 0.00 -1.46 0.00 0.00 42.92 38.68 1uwi s ASP 418 CO 0.47 -1.01 -0.00 -0.69 0.52 0.00 0.00 175.17 174.46 1uwi s VAL 419 N 2.42 3.54 -2.36 1.11 1.01 -1.26 -0.66 120.40 124.21 1uwi s VAL 419 Ca 0.32 -0.57 0.25 0.00 0.00 0.00 0.00 61.98 61.97 1uwi s VAL 419 Cb -0.05 -2.69 0.19 0.00 0.00 0.00 0.00 36.38 33.83 1uwi s VAL 419 CO -0.09 0.30 1.33 0.54 0.00 0.00 0.00 175.10 177.19 1uwi n ARG 420 N 4.81 1.56 -3.61 2.72 1.74 -0.04 -4.96 116.66 118.87 1uwi n ARG 420 Ca -0.17 -1.19 -0.02 0.00 -0.77 0.00 0.00 57.85 55.70 1uwi n ARG 420 Cb 0.50 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1uwi n ARG 420 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1uwi s GLY 421 N -2.26 -0.35 -0.12 -0.13 0.00 -1.26 -2.14 107.32 101.06 1uwi s GLY 421 Ca 0.26 1.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 1uwi s GLY 421 CO 0.44 0.28 -0.01 -0.47 0.00 0.00 0.00 173.10 173.34 1uwi s TYR 422 N -2.56 1.03 -0.36 1.90 6.14 -0.35 -1.46 117.35 121.69 1uwi s TYR 422 Ca 0.11 -0.56 -0.02 0.00 0.64 0.00 0.00 57.07 57.25 1uwi s TYR 422 Cb 0.02 -1.00 0.09 0.00 0.42 0.00 0.00 41.96 41.49 1uwi s TYR 422 CO -0.04 -0.47 0.12 -0.51 0.64 0.00 0.00 175.55 175.29 1uwi s LEU 423 N 1.86 4.73 0.35 6.97 1.02 0.74 -0.74 118.68 133.61 1uwi s LEU 423 Ca 0.03 -1.78 -0.29 0.00 0.02 0.00 0.00 54.13 52.11 1uwi s LEU 423 Cb -0.14 -1.77 -0.11 0.00 0.02 0.00 0.00 46.19 44.20 1uwi s LEU 423 CO -0.07 -0.43 1.48 -2.28 0.02 0.00 0.00 176.35 175.07 1uwi s HIS 424 N 1.15 2.71 -0.54 0.29 2.46 -0.64 -3.28 115.29 117.43 1uwi s HIS 424 Ca 0.04 1.13 -0.27 0.00 0.47 0.00 0.00 55.06 56.43 1uwi s HIS 424 Cb -0.21 -3.97 -0.01 0.00 -0.13 0.00 0.00 32.58 28.25 1uwi s HIS 424 CO -0.04 -2.91 1.76 -0.46 -2.47 0.00 0.00 174.74 170.62 1uwi s TRP 425 N -0.87 1.81 0.33 3.88 -0.11 0.17 -2.36 118.94 121.79 1uwi s TRP 425 Ca 0.54 0.69 0.00 0.00 1.22 0.00 0.00 56.10 58.55 1uwi s TRP 425 Cb -0.45 -4.16 0.00 0.00 -1.50 0.00 0.00 33.47 27.36 1uwi s TRP 425 CO 0.58 -2.38 0.00 0.43 -4.62 0.00 0.00 176.95 170.96 1uwi n SER 426 N 11.62 -7.33 -0.11 5.86 7.64 -0.97 -4.56 113.62 125.78 1uwi n SER 426 Ca 0.19 0.99 -0.13 0.00 1.01 0.00 0.00 58.87 60.94 1uwi n SER 426 Cb 0.50 -3.51 -0.03 0.00 -1.01 0.00 0.00 64.21 60.17 1uwi n SER 426 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1uwi h LEU 427 N 1.90 0.82 -8.49 -3.43 6.46 -1.81 -3.01 115.31 107.75 1uwi h LEU 427 Ca 0.00 -0.44 -0.26 0.00 -0.12 0.00 0.00 57.88 57.06 1uwi h LEU 427 Cb 0.00 -0.23 -0.15 0.00 -0.73 0.00 0.00 40.66 39.55 1uwi h LEU 427 CO 0.00 1.09 -0.70 0.00 -0.62 0.00 0.00 178.44 178.20 1uwi s ALA 428 N -4.49 1.09 0.88 1.25 0.00 -1.26 0.11 121.76 119.34 1uwi s ALA 428 Ca -0.12 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 1uwi s ALA 428 Cb 0.10 0.12 0.09 0.00 0.00 0.00 0.00 23.12 23.42 1uwi s ALA 428 CO 0.84 -0.18 0.95 -0.25 0.00 0.00 0.00 175.76 177.12 1uwi n ASP 429 N 0.01 -0.11 -1.68 0.00 8.00 -1.03 -4.22 116.55 117.52 1uwi n ASP 429 Ca -0.12 0.47 -0.04 0.00 0.71 0.00 0.00 54.79 55.81 1uwi n ASP 429 Cb 0.60 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1uwi n ASP 429 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1uwi n ASN 430 N -2.96 -0.75 -4.59 -2.24 6.94 -1.26 -4.78 115.26 105.62 1uwi n ASN 430 Ca 0.11 -1.62 -0.43 0.00 -0.02 0.00 0.00 54.58 52.62 1uwi n ASN 430 Cb 0.52 1.28 -0.02 0.00 -2.36 0.00 0.00 39.78 39.19 1uwi n ASN 430 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1uwi s TYR 431 N -5.83 2.58 -1.48 -2.53 5.04 -0.51 -4.64 117.35 109.98 1uwi s TYR 431 Ca 0.07 0.57 -0.10 0.00 -2.44 0.00 0.00 57.07 55.17 1uwi s TYR 431 Cb -0.01 -4.44 0.02 0.00 0.35 0.00 0.00 41.96 37.87 1uwi s TYR 431 CO 0.05 -1.63 2.52 0.39 -1.34 0.00 0.00 175.55 175.55 1uwi n GLU 432 N 8.23 3.63 0.00 4.97 -0.58 0.15 -4.65 120.64 132.39 1uwi n GLU 432 Ca 0.12 -2.71 0.00 0.00 -0.42 0.00 0.00 57.16 54.15 1uwi n GLU 432 Cb 0.49 -2.92 0.00 0.00 -0.57 0.00 0.00 31.44 28.44 1uwi n GLU 432 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1uwi n TRP 433 N 3.96 0.00 0.29 -0.32 7.02 -1.26 -0.38 117.44 126.75 1uwi n TRP 433 Ca 0.64 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 57.29 1uwi n TRP 433 Cb 0.29 0.00 0.97 0.00 -2.42 0.00 0.00 31.31 30.15 1uwi n TRP 433 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1uwi h ALA 434 N -0.00 1.46 0.00 6.99 0.00 -1.84 -2.08 119.26 123.78 1uwi h ALA 434 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uwi h ALA 434 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uwi h ALA 434 CO 0.00 -0.07 0.00 0.77 0.00 0.00 0.00 179.25 179.95 1uwi h SER 435 N 0.00 0.00 0.00 0.00 0.02 -1.05 0.12 113.55 112.63 1uwi h SER 435 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1uwi h SER 435 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1uwi h SER 435 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1uwi n GLY 436 N 1.02 -1.28 0.04 -3.77 0.00 -0.78 -4.19 105.19 96.23 1uwi n GLY 436 Ca 0.04 -1.33 0.13 0.00 0.00 0.00 0.00 46.02 44.87 1uwi n GLY 436 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uwi n PHE 437 N 0.00 0.00 0.26 1.61 3.72 -1.26 -0.67 117.46 121.12 1uwi n PHE 437 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1uwi n PHE 437 Cb 0.00 -0.30 0.72 0.00 -0.94 0.00 0.00 39.48 38.96 1uwi n PHE 437 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1uwi h SER 438 N 0.22 0.00 -3.09 4.37 4.64 -1.90 -3.38 113.55 114.40 1uwi h SER 438 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1uwi h SER 438 Cb 0.46 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.38 1uwi h SER 438 CO 0.00 0.10 0.23 -0.04 -0.87 0.00 0.00 176.83 176.25 1uwi s MET 439 N -4.39 3.15 -0.44 4.77 -1.94 -1.26 -4.93 119.30 114.26 1uwi s MET 439 Ca -0.04 -0.84 -0.14 0.00 -1.71 0.00 0.00 55.69 52.97 1uwi s MET 439 Cb 0.14 -4.14 0.06 0.00 2.01 0.00 0.00 34.83 32.90 1uwi s MET 439 CO 0.60 -1.42 0.33 1.03 -0.01 0.00 0.00 175.02 175.56 1uwi s ARG 440 N 3.10 2.90 0.00 2.03 0.52 -1.26 -4.66 118.95 121.58 1uwi s ARG 440 Ca 0.18 -1.26 0.25 0.00 -0.52 0.00 0.00 55.73 54.39 1uwi s ARG 440 Cb -0.18 -4.00 0.49 0.00 0.52 0.00 0.00 34.95 31.78 1uwi s ARG 440 CO 0.12 -0.92 1.42 1.19 0.02 0.00 0.00 175.30 177.14 1uwi n PHE 441 N 5.13 0.00 -2.23 -0.53 3.01 -1.26 -1.41 117.46 120.16 1uwi n PHE 441 Ca -0.12 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.01 1uwi n PHE 441 Cb 0.45 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1uwi n PHE 441 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1uwi s GLY 442 N -2.06 2.38 0.27 1.37 0.00 -1.26 -4.59 107.32 103.42 1uwi s GLY 442 Ca 0.30 0.59 0.14 0.00 0.00 0.00 0.00 44.72 45.76 1uwi s GLY 442 CO 0.35 0.92 1.45 1.41 0.00 0.00 0.00 173.10 177.23 1uwi h LEU 443 N 0.96 0.00 -8.67 0.66 3.38 -1.21 -3.43 115.31 107.00 1uwi h LEU 443 Ca -0.49 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.83 1uwi h LEU 443 Cb 1.23 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.73 1uwi h LEU 443 CO 0.57 0.56 -0.74 -0.76 0.09 0.00 0.00 178.44 178.17 1uwi s LEU 444 N -6.57 2.86 0.18 1.67 1.43 0.12 -2.17 118.68 116.21 1uwi s LEU 444 Ca 0.03 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 1uwi s LEU 444 Cb 0.08 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 1uwi s LEU 444 CO 0.75 0.16 0.90 -0.75 0.23 0.00 0.00 176.35 177.64 1uwi s LYS 445 N 0.37 4.74 -0.16 1.70 2.20 0.13 -2.47 119.74 126.25 1uwi s LYS 445 Ca -0.09 1.38 -0.04 0.00 -0.36 0.00 0.00 55.97 56.86 1uwi s LYS 445 Cb -0.15 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1uwi s LYS 445 CO 0.05 0.45 -0.01 0.08 -0.36 0.00 0.00 175.35 175.55 1uwi s VAL 446 N -0.84 4.11 -0.50 4.02 1.01 -1.26 -0.46 120.40 126.47 1uwi s VAL 446 Ca 0.41 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1uwi s VAL 446 Cb -0.24 -2.81 0.06 0.00 0.00 0.00 0.00 36.38 33.39 1uwi s VAL 446 CO 0.30 0.49 0.63 -0.62 0.00 0.00 0.00 175.10 175.90 1uwi s ASP 447 N 0.30 6.23 0.04 3.32 -1.08 -0.48 -4.91 116.67 120.09 1uwi s ASP 447 Ca -0.02 -0.90 0.10 0.00 -0.52 0.00 0.00 52.55 51.21 1uwi s ASP 447 Cb -0.14 -2.29 0.43 0.00 -1.46 0.00 0.00 42.92 39.46 1uwi s ASP 447 CO 0.02 -0.89 1.30 -1.22 0.52 0.00 0.00 175.17 174.90 1uwi n TYR 448 N 6.18 0.12 -0.06 -5.34 4.01 -1.26 0.10 117.16 120.90 1uwi n TYR 448 Ca -0.06 0.05 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1uwi n TYR 448 Cb 0.45 -0.58 -0.08 0.00 -0.31 0.00 0.00 39.34 38.82 1uwi n TYR 448 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1uwi h ASN 449 N 0.00 0.00 0.53 7.72 4.21 -1.93 -3.38 115.58 122.72 1uwi h ASN 449 Ca 0.00 -0.55 0.00 0.00 1.21 0.00 0.00 56.30 56.96 1uwi h ASN 449 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1uwi h ASN 449 CO 0.00 0.83 -0.97 0.35 -1.29 0.00 0.00 177.43 176.34 1uwi n THR 450 N -4.66 0.22 -1.22 2.81 -2.24 -1.13 -4.94 114.28 103.11 1uwi n THR 450 Ca -0.07 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1uwi n THR 450 Cb 0.30 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1uwi n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uwi n LYS 451 N -2.03 -0.75 -2.77 -0.78 4.76 0.28 -4.99 118.16 111.88 1uwi n LYS 451 Ca 0.02 0.70 -0.35 0.00 -2.87 0.00 0.00 58.31 55.80 1uwi n LYS 451 Cb 0.44 -4.57 -0.06 0.00 -1.84 0.00 0.00 35.03 29.00 1uwi n LYS 451 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1uwi s ARG 452 N -2.37 4.40 -0.09 1.97 3.52 -1.19 -4.80 118.95 120.39 1uwi s ARG 452 Ca 0.00 1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 56.85 1uwi s ARG 452 Cb 0.00 -2.54 -0.03 0.00 -1.56 0.00 0.00 34.95 30.82 1uwi s ARG 452 CO 0.00 0.11 0.01 -0.51 -0.81 0.00 0.00 175.30 174.10 1uwi s LEU 453 N -2.55 3.60 0.04 -0.88 1.43 -1.26 -1.39 118.68 117.68 1uwi s LEU 453 Ca 0.56 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.88 1uwi s LEU 453 Cb -0.15 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1uwi s LEU 453 CO 0.20 0.38 -0.20 -0.31 0.23 0.00 0.00 176.35 176.65 1uwi s TYR 454 N -0.89 1.76 -0.47 0.29 2.02 0.39 -4.93 117.35 115.52 1uwi s TYR 454 Ca 0.13 -0.37 -0.24 0.00 -0.37 0.00 0.00 57.07 56.23 1uwi s TYR 454 Cb -0.11 -1.05 0.03 0.00 -0.40 0.00 0.00 41.96 40.42 1uwi s TYR 454 CO 0.02 0.08 0.85 -1.58 -1.57 0.00 0.00 175.55 173.35 1uwi s TRP 455 N -0.79 2.94 0.53 2.71 0.52 -1.26 0.20 118.94 123.79 1uwi s TRP 455 Ca 0.07 0.18 -0.19 0.00 0.02 0.00 0.00 56.10 56.18 1uwi s TRP 455 Cb -0.09 -3.82 -0.06 0.00 -1.15 0.00 0.00 33.47 28.35 1uwi s TRP 455 CO 0.02 -1.08 1.06 1.03 0.02 0.00 0.00 176.95 178.00 1uwi s ARG 456 N 3.52 3.56 0.43 4.98 0.52 -0.92 -4.90 118.95 126.13 1uwi s ARG 456 Ca 0.32 1.38 0.22 0.00 -0.52 0.00 0.00 55.73 57.12 1uwi s ARG 456 Cb -0.12 -2.06 1.20 0.00 0.52 0.00 0.00 34.95 34.49 1uwi s ARG 456 CO 0.23 -0.64 1.78 -1.35 0.02 0.00 0.00 175.30 175.35 1uwi h PRO 457 N 1.16 0.30 0.00 3.54 0.11 -1.93 0.88 132.00 136.07 1uwi h PRO 457 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1uwi h PRO 457 Cb 1.23 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uwi h PRO 457 CO 0.58 0.20 -0.03 0.66 -0.21 0.00 0.00 178.00 179.20 1uwi h SER 458 N 0.31 0.00 1.01 -2.05 4.64 -1.89 -0.49 113.55 115.08 1uwi h SER 458 Ca 0.58 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.80 1uwi h SER 458 Cb 1.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.71 1uwi h SER 458 CO -0.23 0.03 -0.48 0.77 -0.87 0.00 0.00 176.83 176.04 1uwi h SER 459 N 0.00 0.00 0.43 4.97 4.64 -1.00 0.03 113.55 122.62 1uwi h SER 459 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1uwi h SER 459 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1uwi h SER 459 CO 0.00 0.48 -0.78 -0.07 -0.87 0.00 0.00 176.83 175.60 1uwi h LEU 460 N 0.00 0.33 -0.24 5.97 3.38 -1.15 -1.25 115.31 122.36 1uwi h LEU 460 Ca -0.00 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1uwi h LEU 460 Cb 1.12 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1uwi h LEU 460 CO 0.06 0.98 -0.25 0.58 0.09 0.00 0.00 178.44 179.90 1uwi h VAL 461 N 0.17 1.32 -0.57 1.22 2.07 -1.07 -2.82 116.25 116.57 1uwi h VAL 461 Ca -0.03 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1uwi h VAL 461 Cb 1.36 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 1uwi h VAL 461 CO 0.12 0.44 0.25 0.22 0.02 0.00 0.00 177.57 178.62 1uwi h TYR 462 N 0.30 0.82 -0.62 1.57 3.20 -0.92 -1.25 116.97 120.07 1uwi h TYR 462 Ca 0.04 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1uwi h TYR 462 Cb 0.81 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1uwi h TYR 462 CO 0.08 0.62 0.34 -0.09 -1.64 0.00 0.00 178.16 177.46 1uwi h ARG 463 N 0.81 0.85 -0.51 1.82 2.43 -1.09 0.81 114.38 119.50 1uwi h ARG 463 Ca 0.20 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1uwi h ARG 463 Cb 0.13 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1uwi h ARG 463 CO -0.02 0.62 0.17 0.93 -1.51 0.00 0.00 179.97 180.16 1uwi h GLU 464 N 0.86 0.78 0.08 0.20 4.39 -0.99 -0.43 114.58 119.46 1uwi h GLU 464 Ca 0.22 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1uwi h GLU 464 Cb 0.02 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1uwi h GLU 464 CO -0.04 0.72 -0.04 0.82 -1.16 0.00 0.00 179.01 179.32 1uwi h ILE 465 N 0.69 1.11 -0.05 3.13 2.04 -0.88 -1.89 117.51 121.66 1uwi h ILE 465 Ca 0.16 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1uwi h ILE 465 Cb 0.26 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1uwi h ILE 465 CO -0.01 0.17 0.03 0.00 0.00 0.00 0.00 178.15 178.34 1uwi h ALA 466 N 0.47 0.06 -0.56 1.87 0.00 -0.85 0.41 119.26 120.67 1uwi h ALA 466 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1uwi h ALA 466 Cb 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1uwi h ALA 466 CO 0.02 -0.44 0.37 1.15 0.00 0.00 0.00 179.25 180.34 1uwi h THR 467 N 0.06 1.09 -0.01 0.00 2.02 -1.12 -2.73 112.91 112.23 1uwi h THR 467 Ca 0.02 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1uwi h THR 467 Cb -0.00 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1uwi h THR 467 CO -0.00 0.12 -0.72 0.59 0.37 0.00 0.00 175.52 175.88 1uwi n ASN 468 N -4.46 1.39 -3.14 4.18 3.02 -0.71 -4.96 115.26 110.57 1uwi n ASN 468 Ca 0.06 -1.20 -0.23 0.00 -0.03 0.00 0.00 54.58 53.19 1uwi n ASN 468 Cb 0.10 0.77 0.04 0.00 -0.61 0.00 0.00 39.78 40.09 1uwi n ASN 468 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwi n GLY 469 N 1.42 -0.53 3.61 7.41 0.00 0.14 -4.92 105.19 112.32 1uwi n GLY 469 Ca 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 1uwi n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwi s ALA 470 N -3.21 -2.20 -0.56 4.61 0.00 -0.90 -1.55 121.76 117.94 1uwi s ALA 470 Ca 0.36 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 53.37 1uwi s ALA 470 Cb -0.16 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1uwi s ALA 470 CO 0.45 -0.79 0.94 0.42 0.00 0.00 0.00 175.76 176.78 1uwi s ILE 471 N -2.30 4.39 0.74 0.00 1.01 -0.51 -4.20 121.20 120.33 1uwi s ILE 471 Ca 0.12 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 1uwi s ILE 471 Cb 0.02 -4.55 0.04 0.00 0.01 0.00 0.00 42.46 37.98 1uwi s ILE 471 CO -0.04 -1.14 1.13 0.42 0.00 0.00 0.00 174.94 175.30 1uwi s THR 472 N 3.93 2.91 0.29 2.92 -4.23 -1.26 -3.87 115.64 116.33 1uwi s THR 472 Ca 0.29 0.37 0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1uwi s THR 472 Cb -0.13 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 71.17 1uwi s THR 472 CO 0.18 -0.31 1.87 0.44 -0.54 0.00 0.00 174.62 176.27 1uwi h ASP 473 N -0.61 0.93 0.03 3.99 3.32 -2.00 -2.39 116.42 119.70 1uwi h ASP 473 Ca -0.46 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1uwi h ASP 473 Cb 1.26 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1uwi h ASP 473 CO 0.51 0.56 -0.01 1.05 -1.72 0.00 0.00 179.24 179.62 1uwi h GLU 474 N 1.04 0.00 -0.20 3.56 9.09 -2.03 -2.70 114.58 123.34 1uwi h GLU 474 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 1uwi h GLU 474 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1uwi h GLU 474 CO -0.20 0.01 0.00 0.44 0.05 0.00 0.00 179.01 179.31 1uwi n ILE 475 N -3.84 1.39 -0.09 -1.06 -5.35 -0.92 -4.69 119.36 104.81 1uwi n ILE 475 Ca -0.03 -1.35 0.03 0.00 -0.27 0.00 0.00 62.75 61.13 1uwi n ILE 475 Cb 0.09 0.24 0.36 0.00 -1.74 0.00 0.00 39.64 38.59 1uwi n ILE 475 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1uwi h GLU 476 N 1.21 0.71 -0.04 6.28 4.81 -1.27 -2.23 114.58 124.04 1uwi h GLU 476 Ca 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1uwi h GLU 476 Cb 0.86 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1uwi h GLU 476 CO 0.05 0.47 0.21 1.12 -0.73 0.00 0.00 179.01 180.13 1uwi h HIS 477 N 0.73 0.00 0.00 0.92 2.07 -1.83 0.80 115.15 117.84 1uwi h HIS 477 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 1uwi h HIS 477 Cb -0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.91 1uwi h HIS 477 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1uwi n LEU 478 N -3.12 0.00 -3.61 6.12 4.77 -0.84 -3.86 117.00 116.46 1uwi n LEU 478 Ca -0.01 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 1uwi n LEU 478 Cb 0.28 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1uwi n LEU 478 CO 0.18 -0.15 2.72 -3.20 -1.33 0.00 0.00 177.39 175.61 1uwi n ASN 479 N -1.42 5.96 -3.18 -1.43 4.05 0.27 -4.01 115.26 115.50 1uwi n ASN 479 Ca 0.06 -2.85 -0.09 0.00 0.45 0.00 0.00 54.58 52.15 1uwi n ASN 479 Cb 0.19 -1.56 0.01 0.00 1.23 0.00 0.00 39.78 39.65 1uwi n ASN 479 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1uwi s SER 480 N 2.12 0.01 0.13 1.20 1.04 -1.25 -4.95 113.70 112.00 1uwi s SER 480 Ca 0.53 -1.05 -0.26 0.00 0.48 0.00 0.00 55.95 55.65 1uwi s SER 480 Cb 0.15 0.81 -0.07 0.00 0.10 0.00 0.00 66.02 67.00 1uwi s SER 480 CO -0.06 -1.58 0.79 -0.69 0.98 0.00 0.00 173.24 172.68 1uwi s VAL 481 N -2.76 4.46 0.19 5.02 1.01 -1.26 -4.77 120.40 122.30 1uwi s VAL 481 Ca 0.16 1.72 -0.32 0.00 0.00 0.00 0.00 61.98 63.54 1uwi s VAL 481 Cb -0.05 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1uwi s VAL 481 CO 0.11 0.47 1.74 -2.84 0.00 0.00 0.00 175.10 174.57 1uwi s PRO 482 N -0.78 4.13 0.10 2.72 0.02 -1.26 -4.86 135.00 135.07 1uwi s PRO 482 Ca 0.37 2.60 -0.35 0.00 0.02 0.00 0.00 61.00 63.65 1uwi s PRO 482 Cb -0.23 -3.16 -0.14 0.00 0.02 0.00 0.00 34.50 30.99 1uwi s PRO 482 CO 0.26 -0.77 1.56 -2.30 -0.33 0.00 0.00 177.00 175.43 1uwi n PRO 483 N 4.26 1.91 0.12 5.54 -0.02 -1.26 -4.79 135.00 140.75 1uwi n PRO 483 Ca 0.16 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.45 1uwi n PRO 483 Cb 0.36 -2.44 0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1uwi n PRO 483 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1uwi h VAL 484 N 3.80 0.00 -0.43 -1.45 -1.51 -1.93 -3.38 116.25 111.35 1uwi h VAL 484 Ca -0.46 -0.89 0.06 0.00 -1.23 0.00 0.00 66.70 64.18 1uwi h VAL 484 Cb 1.28 1.50 -0.05 0.00 -2.13 0.00 0.00 31.29 31.88 1uwi h VAL 484 CO 0.87 0.00 0.12 0.11 -1.23 0.00 0.00 177.57 177.44 1uwi h LYS 485 N 0.00 0.26 0.00 5.19 1.79 -1.99 -1.90 116.57 119.93 1uwi h LYS 485 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1uwi h LYS 485 Cb 0.95 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1uwi h LYS 485 CO 0.00 0.17 0.00 -1.35 -1.08 0.00 0.00 179.45 177.19 1uwi h PRO 486 N 0.27 0.00 -7.01 3.15 0.11 -1.99 -3.46 132.00 123.06 1uwi h PRO 486 Ca 0.20 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.84 1uwi h PRO 486 Cb 0.22 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.38 1uwi h PRO 486 CO -0.24 0.00 0.13 -0.51 -0.21 0.00 0.00 178.00 177.17 1uwi s LEU 487 N -4.89 3.40 0.40 2.35 1.43 -0.71 -5.05 118.68 115.60 1uwi s LEU 487 Ca 0.07 0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 1uwi s LEU 487 Cb 0.10 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 1uwi s LEU 487 CO 0.53 -0.88 1.22 -0.60 0.23 0.00 0.00 176.35 176.85 1uwi s ARG 488 N -4.87 4.04 0.00 1.70 3.52 -1.26 -5.00 118.95 117.08 1uwi s ARG 488 Ca 0.51 1.96 0.03 0.00 -0.13 0.00 0.00 55.73 58.10 1uwi s ARG 488 Cb -0.10 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.59 1uwi s ARG 488 CO 0.44 -0.37 0.60 0.72 -0.81 0.00 0.00 175.30 175.88