#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 3.52 0.07 1.12 2.02 -1.25 -5.06 117.35 117.77 1uwi s TYR 2 Ca 0.00 -2.95 -0.03 0.00 -0.37 0.00 0.00 57.07 53.72 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 6.43 0.25 2.29 0.01 -1.26 -1.53 113.70 119.91 1uwi s SER 3 Ca 0.21 0.43 0.06 0.00 1.31 0.00 0.00 55.95 57.96 1uwi s SER 3 Cb -0.15 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1uwi s SER 3 CO -0.07 0.16 0.32 -0.36 0.41 0.00 0.00 173.24 173.70 1uwi s PHE 4 N -1.49 3.30 0.58 2.43 0.08 -0.62 -4.99 117.98 117.27 1uwi s PHE 4 Ca 0.34 -0.07 -0.19 0.00 0.12 0.00 0.00 56.93 57.13 1uwi s PHE 4 Cb -0.13 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.70 1uwi s PHE 4 CO 0.23 0.42 0.83 -2.30 -0.10 0.00 0.00 175.22 174.31 1uwi n PRO 5 N -1.35 0.80 -0.31 0.24 -0.02 -1.26 -4.87 135.00 128.23 1uwi n PRO 5 Ca -0.08 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.79 1uwi n PRO 5 Cb 0.57 -2.02 0.29 0.00 -0.02 0.00 0.00 33.50 32.33 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 0.47 0.82 0.64 2.55 2.35 -1.97 -1.02 115.58 119.42 1uwi h ASN 6 Ca -0.47 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1uwi h ASN 6 Cb 1.37 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1uwi h ASN 6 CO 0.50 0.46 -0.07 -1.54 -1.65 0.00 0.00 177.43 175.13 1uwi n SER 7 N -4.56 0.16 -4.73 5.81 3.41 -1.26 -4.87 113.62 107.57 1uwi n SER 7 Ca 0.17 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 1uwi n SER 7 Cb 0.35 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 3.11 0.00 7.33 2.19 -0.39 -4.95 117.98 122.57 1uwi s PHE 8 Ca 0.23 1.00 0.08 0.00 0.33 0.00 0.00 56.93 58.56 1uwi s PHE 8 Cb 0.20 -3.77 -0.03 0.00 -1.31 0.00 0.00 43.02 38.11 1uwi s PHE 8 CO 0.51 -2.56 -0.23 1.03 1.83 0.00 0.00 175.22 175.79 1uwi s ARG 9 N 0.14 2.08 -0.15 10.12 0.52 -0.90 -4.93 118.95 125.83 1uwi s ARG 9 Ca 0.61 -0.95 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 1uwi s ARG 9 Cb -0.40 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 1uwi s ARG 9 CO 0.38 0.55 -0.03 -0.06 0.02 0.00 0.00 175.30 176.16 1uwi s PHE 10 N -0.73 3.04 0.00 -0.53 0.08 -1.26 -1.17 117.98 117.41 1uwi s PHE 10 Ca 0.11 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1uwi s PHE 10 Cb -0.10 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1uwi s PHE 10 CO 0.01 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.56 1uwi n GLY 11 N 3.37 3.62 3.32 4.36 0.00 0.02 -0.73 105.19 119.15 1uwi n GLY 11 Ca -0.17 -0.31 -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 -0.41 -0.00 0.24 1.61 -2.14 -1.08 -1.55 118.94 115.61 1uwi s TRP 12 Ca 0.00 -0.36 0.11 0.00 2.66 0.00 0.00 56.10 58.51 1uwi s TRP 12 Cb 0.00 0.14 -0.05 0.00 -3.10 0.00 0.00 33.47 30.47 1uwi s TRP 12 CO 0.00 -0.69 -0.17 -1.12 -2.66 0.00 0.00 176.95 172.31 1uwi s SER 13 N -2.85 3.78 0.04 -2.66 0.01 -0.99 -1.74 113.70 109.29 1uwi s SER 13 Ca 0.07 -0.86 -0.28 0.00 1.31 0.00 0.00 55.95 56.19 1uwi s SER 13 Cb 0.02 -0.43 0.07 0.00 0.21 0.00 0.00 66.02 65.90 1uwi s SER 13 CO -0.09 0.07 0.65 -1.58 0.41 0.00 0.00 173.24 172.70 1uwi s GLN 14 N -3.20 1.15 0.08 12.44 0.74 -0.67 -2.36 119.66 127.85 1uwi s GLN 14 Ca 0.27 -0.05 0.09 0.00 0.05 0.00 0.00 55.36 55.71 1uwi s GLN 14 Cb -0.07 0.54 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 1uwi s GLN 14 CO 0.14 -0.43 -0.21 0.00 -0.55 0.00 0.00 175.29 174.25 1uwi s ALA 15 N -2.29 2.54 0.06 1.58 0.00 -1.26 -4.15 121.76 118.23 1uwi s ALA 15 Ca -0.06 -1.29 -0.31 0.00 0.00 0.00 0.00 51.96 50.30 1uwi s ALA 15 Cb -0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 23.12 22.31 1uwi s ALA 15 CO 0.00 0.57 1.52 0.78 0.00 0.00 0.00 175.76 178.63 1uwi h GLY 16 N 4.25 -0.89 1.18 0.00 0.00 -1.93 -1.87 103.07 103.81 1uwi h GLY 16 Ca -0.49 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.22 1uwi h GLY 16 CO 0.45 -0.32 0.43 -2.75 0.00 0.00 0.00 176.54 174.35 1uwi h PHE 17 N -0.93 0.71 0.00 5.60 3.57 -1.94 0.25 116.94 124.20 1uwi h PHE 17 Ca -0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.29 1uwi h PHE 17 Cb 0.68 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1uwi h PHE 17 CO -0.02 0.40 -0.67 1.96 -2.23 0.00 0.00 178.31 177.74 1uwi h GLN 18 N 0.72 0.00 0.00 1.11 4.20 -1.81 -3.41 115.11 115.93 1uwi h GLN 18 Ca 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1uwi h GLN 18 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1uwi h GLN 18 CO -0.08 0.67 -1.05 0.43 -0.67 0.00 0.00 178.83 178.14 1uwi n SER 19 N -3.38 4.80 0.42 1.46 7.64 -0.71 -1.52 113.62 122.33 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 0.76 0.78 -0.09 0.00 -1.01 0.00 0.00 64.21 64.64 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 -1.04 -7.23 1.43 5.08 -0.70 -0.61 114.58 111.52 1uwi h GLU 20 Ca -0.01 0.07 -0.52 0.00 -1.00 0.00 0.00 59.36 57.90 1uwi h GLU 20 Cb 0.55 0.24 0.16 0.00 0.50 0.00 0.00 28.75 30.19 1uwi h GLU 20 CO 0.00 -0.70 0.33 -1.64 -1.00 0.00 0.00 179.01 176.01 1uwi s MET 21 N -6.02 1.91 0.00 2.33 -1.94 -1.26 -1.33 119.30 112.99 1uwi s MET 21 Ca -0.19 1.56 0.00 0.00 -1.71 0.00 0.00 55.69 55.36 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 -1.97 0.00 0.41 -0.01 0.00 0.00 175.02 174.06 1uwi n GLY 22 N -0.02 1.41 3.86 -0.03 0.00 -1.22 -0.82 105.19 108.37 1uwi n GLY 22 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 5.00 0.26 2.61 -4.23 -1.26 -4.70 115.64 113.32 1uwi s THR 23 Ca 0.00 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 59.57 1uwi s THR 23 Cb 0.00 -3.46 -0.12 0.00 1.34 0.00 0.00 72.50 70.25 1uwi s THR 23 CO 0.00 0.07 1.54 -0.81 -0.54 0.00 0.00 174.62 174.88 1uwi n PRO 24 N 0.15 2.45 -0.33 3.99 -0.04 -1.26 -2.08 135.00 137.89 1uwi n PRO 24 Ca -0.07 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1uwi n PRO 24 Cb 0.52 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 2.35 0.90 0.30 0.55 0.00 -1.26 -4.93 105.19 103.10 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 1.29 -4.65 1.61 3.41 -0.88 -4.97 113.62 109.43 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 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.52 1.88 -3.77 4.33 4.71 -1.26 -4.63 120.64 121.38 1uwi n GLU 27 Ca 0.11 0.67 -0.30 0.00 -0.01 0.00 0.00 57.16 57.63 1uwi n GLU 27 Cb 0.38 -2.34 -0.15 0.00 -1.01 0.00 0.00 31.44 28.32 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 0.43 3.93 0.00 1.62 2.15 -1.26 -4.99 116.67 118.55 1uwi s ASP 28 Ca 0.73 -1.54 0.25 0.00 0.43 0.00 0.00 52.55 52.43 1uwi s ASP 28 Cb -0.71 -0.92 0.50 0.00 -0.30 0.00 0.00 42.92 41.49 1uwi s ASP 28 CO 0.47 -0.38 1.41 0.18 -0.17 0.00 0.00 175.17 176.68 1uwi n LEU 29 N 4.81 1.81 -1.96 -1.34 4.77 -1.26 -4.60 117.00 119.23 1uwi n LEU 29 Ca -0.03 -0.60 -0.20 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 0.13 0.32 1.21 0.59 -1.33 0.00 0.00 177.39 178.31 1uwi n ASN 30 N 0.11 5.91 -4.37 -1.43 5.03 -1.26 -4.65 115.26 114.59 1uwi n ASN 30 Ca 0.13 -3.21 -0.23 0.00 0.87 0.00 0.00 54.58 52.14 1uwi n ASN 30 Cb 0.43 -0.95 -0.11 0.00 -1.02 0.00 0.00 39.78 38.14 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 -2.80 2.02 0.22 3.41 -4.23 -1.26 0.02 115.64 113.03 1uwi s THR 31 Ca 0.40 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1uwi s THR 31 Cb 0.32 -2.00 0.15 0.00 1.34 0.00 0.00 72.50 72.31 1uwi s THR 31 CO 0.02 -0.33 1.77 -2.24 -0.54 0.00 0.00 174.62 173.30 1uwi h ASP 32 N 2.99 1.05 -0.80 3.99 2.03 -1.28 -2.57 116.42 121.81 1uwi h ASP 32 Ca -0.42 -0.18 -0.05 0.00 -0.73 0.00 0.00 57.03 55.65 1uwi h ASP 32 Cb 1.22 -0.27 -0.04 0.00 -0.83 0.00 0.00 39.33 39.41 1uwi h ASP 32 CO 0.53 0.96 0.32 -0.50 -1.03 0.00 0.00 179.24 179.52 1uwi h TRP 33 N 1.09 1.22 -0.20 4.15 4.06 -1.93 0.23 115.95 124.57 1uwi h TRP 33 Ca 0.24 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 1uwi h TRP 33 Cb 0.26 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 1uwi h TRP 33 CO 0.02 0.92 0.09 -0.92 -3.56 0.00 0.00 178.44 174.99 1uwi h TYR 34 N 1.17 0.30 -0.66 0.49 5.03 -1.84 -0.85 116.97 120.61 1uwi h TYR 34 Ca 0.27 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.50 1uwi h TYR 34 Cb 0.21 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 1uwi h TYR 34 CO 0.02 0.34 0.20 -0.22 -1.32 0.00 0.00 178.16 177.18 1uwi h LYS 35 N 0.18 1.01 -0.24 1.82 3.64 -1.24 -2.79 116.57 118.96 1uwi h LYS 35 Ca 0.07 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1uwi h LYS 35 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1uwi h LYS 35 CO -0.01 0.87 0.16 2.35 -2.27 0.00 0.00 179.45 180.56 1uwi h TRP 36 N 0.98 0.31 0.00 1.91 2.91 -0.08 -1.62 115.95 120.36 1uwi h TRP 36 Ca 0.22 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1uwi h TRP 36 Cb 0.28 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 1uwi h TRP 36 CO 0.02 0.20 0.00 1.33 -1.03 0.00 0.00 178.44 178.96 1uwi n VAL 37 N -4.92 0.08 0.96 2.65 0.24 -0.37 -2.84 118.33 114.14 1uwi n VAL 37 Ca -0.02 0.02 0.10 0.00 -2.04 0.00 0.00 64.34 62.39 1uwi n VAL 37 Cb 0.03 -0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 31.75 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 -1.38 0.00 -1.80 6.34 8.25 -1.02 -4.76 115.22 120.85 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 0.27 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.87 6.49 0.23 0.41 2.15 -0.64 -4.91 116.67 117.52 1uwi s ASP 39 Ca 0.09 2.69 -0.08 0.00 0.43 0.00 0.00 52.55 55.68 1uwi s ASP 39 Cb 0.16 -2.57 0.25 0.00 -0.30 0.00 0.00 42.92 40.45 1uwi s ASP 39 CO 0.81 -0.94 1.87 -0.65 -0.17 0.00 0.00 175.17 176.08 1uwi h PRO 40 N 8.00 0.97 -0.30 4.34 0.11 -1.91 -1.75 132.00 141.46 1uwi h PRO 40 Ca -0.44 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 1uwi h PRO 40 Cb 1.21 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1uwi h PRO 40 CO 0.94 0.64 -0.52 0.93 -0.21 0.00 0.00 178.00 179.78 1uwi h GLU 41 N 1.00 0.88 -0.77 1.05 5.08 -1.97 -0.81 114.58 119.03 1uwi h GLU 41 Ca 0.33 -0.54 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1uwi h GLU 41 Cb 0.04 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1uwi h GLU 41 CO -0.12 1.18 0.32 -0.91 -1.00 0.00 0.00 179.01 178.47 1uwi h ASN 42 N 0.68 1.05 -0.10 1.42 2.35 -1.84 0.11 115.58 119.25 1uwi h ASN 42 Ca 0.02 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1uwi h ASN 42 Cb 1.12 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 1uwi h ASN 42 CO 0.12 0.92 0.00 0.24 -1.65 0.00 0.00 177.43 177.06 1uwi h MET 43 N 1.12 0.18 -0.89 0.81 2.86 -1.19 -0.42 114.93 117.40 1uwi h MET 43 Ca 0.26 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1uwi h MET 43 Cb 0.19 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1uwi h MET 43 CO -0.02 0.43 0.56 0.00 1.06 0.00 0.00 176.91 178.94 1uwi h ALA 44 N 0.74 1.21 0.00 6.32 0.00 -0.89 -0.39 119.26 126.25 1uwi h ALA 44 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uwi h ALA 44 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1uwi h ALA 44 CO 0.01 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1uwi n ALA 45 N -2.35 1.97 -1.07 0.00 0.00 0.00 -4.89 120.51 114.17 1uwi n ALA 45 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1uwi n ALA 45 Cb 0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 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 0.69 0.58 0.15 0.00 0.00 -0.16 -4.90 105.19 101.54 1uwi n GLY 46 Ca 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 0.04 -8.74 0.99 3.38 -1.34 -3.44 115.31 106.21 1uwi h LEU 47 Ca -0.05 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.30 1uwi h LEU 47 Cb 0.19 -0.01 -0.22 0.00 0.09 0.00 0.00 40.66 40.71 1uwi h LEU 47 CO 0.07 0.60 -0.84 0.68 0.09 0.00 0.00 178.44 179.04 1uwi s VAL 48 N -3.74 1.87 0.37 1.22 -7.23 -1.21 -4.09 120.40 107.60 1uwi s VAL 48 Ca -0.02 -1.59 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1uwi s VAL 48 Cb 0.13 -1.68 0.22 0.00 0.56 0.00 0.00 36.38 35.61 1uwi s VAL 48 CO 0.76 -0.00 1.97 0.77 -0.31 0.00 0.00 175.10 178.29 1uwi h SER 49 N 4.06 0.53 0.00 4.85 4.64 -1.12 -3.43 113.55 123.08 1uwi h SER 49 Ca -0.47 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1uwi h SER 49 Cb 1.18 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1uwi h SER 49 CO 0.40 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1uwi n GLY 50 N -1.22 2.47 3.79 -0.77 0.00 -1.26 -5.03 105.19 103.15 1uwi n GLY 50 Ca 0.03 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 -1.63 5.83 -0.02 1.61 1.01 -1.26 -5.04 116.67 117.17 1uwi s ASP 51 Ca 0.00 2.01 0.08 0.00 0.71 0.00 0.00 52.55 55.35 1uwi s ASP 51 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1uwi s ASP 51 CO 0.00 -1.14 -0.25 -0.76 0.21 0.00 0.00 175.17 173.23 1uwi s LEU 52 N -3.98 2.08 0.45 1.23 1.43 -1.26 -4.94 118.68 113.70 1uwi s LEU 52 Ca 0.69 -0.46 0.18 0.00 -1.03 0.00 0.00 54.13 53.51 1uwi s LEU 52 Cb -0.20 -1.35 1.13 0.00 0.03 0.00 0.00 46.19 45.80 1uwi s LEU 52 CO 0.29 0.32 1.93 -0.65 0.23 0.00 0.00 176.35 178.47 1uwi h PRO 53 N 5.51 0.31 0.00 1.29 0.11 -1.96 -1.69 132.00 135.58 1uwi h PRO 53 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uwi h PRO 53 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1uwi h PRO 53 CO 0.47 0.21 0.27 0.93 -0.21 0.00 0.00 178.00 179.67 1uwi h GLU 54 N 0.32 0.00 -0.54 1.05 3.07 -1.96 0.85 114.58 117.38 1uwi h GLU 54 Ca 0.35 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 1uwi h GLU 54 Cb 0.90 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.78 1uwi h GLU 54 CO -0.09 0.00 0.05 0.09 -1.40 0.00 0.00 179.01 177.66 1uwi n ASN 55 N -2.85 5.13 -2.72 1.42 5.03 -0.64 -3.38 115.26 117.26 1uwi n ASN 55 Ca -0.02 -3.03 0.00 0.00 0.87 0.00 0.00 54.58 52.40 1uwi n ASN 55 Cb 0.31 -0.67 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 0.20 -2.25 0.29 7.41 0.00 0.29 -4.87 105.19 106.25 1uwi n GLY 56 Ca 0.29 -1.46 0.14 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 -1.86 1.61 0.11 -1.69 -3.38 132.00 126.79 1uwi h PRO 57 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1uwi h PRO 57 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1uwi h PRO 57 CO 0.00 0.04 -0.16 0.41 -0.21 0.00 0.00 178.00 178.08 1uwi n GLY 58 N -1.13 0.51 0.29 -0.55 0.00 -0.00 -4.86 105.19 99.45 1uwi n GLY 58 Ca -0.03 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.52 0.56 -0.94 1.61 3.20 -0.63 0.28 116.97 120.54 1uwi h TYR 59 Ca -0.13 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 61.89 1uwi h TYR 59 Cb 1.09 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.10 1uwi h TYR 59 CO 0.12 0.44 0.60 2.35 -1.64 0.00 0.00 178.16 180.03 1uwi h TRP 60 N 0.57 0.82 0.00 -3.82 2.91 -1.40 0.22 115.95 115.25 1uwi h TRP 60 Ca 0.14 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 60.01 1uwi h TRP 60 Cb 0.11 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 1uwi h TRP 60 CO 0.01 0.25 -2.00 0.41 -1.03 0.00 0.00 178.44 176.07 1uwi n GLY 61 N -1.43 -0.82 1.22 2.65 0.00 -0.82 -4.60 105.19 101.39 1uwi n GLY 61 Ca 0.20 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.40 3.87 -0.35 1.61 3.02 0.92 -4.72 115.26 117.20 1uwi n ASN 62 Ca -0.17 -3.22 0.12 0.00 -0.03 0.00 0.00 54.58 51.28 1uwi n ASN 62 Cb 0.79 -0.61 0.30 0.00 -0.61 0.00 0.00 39.78 39.66 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 1.90 1.08 -0.86 3.10 -0.00 -1.16 -0.24 116.97 120.78 1uwi h TYR 63 Ca 0.10 0.03 0.06 0.00 -0.00 0.00 0.00 58.73 58.93 1uwi h TYR 63 Cb 1.70 -0.33 -0.06 0.00 -0.00 0.00 0.00 36.73 38.04 1uwi h TYR 63 CO 0.79 0.27 0.56 0.87 -0.00 0.00 0.00 178.16 180.66 1uwi h LYS 64 N 0.80 0.94 -0.36 0.10 1.57 -1.86 0.16 116.57 117.92 1uwi h LYS 64 Ca 0.56 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 59.15 1uwi h LYS 64 Cb 0.82 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1uwi h LYS 64 CO -0.36 0.62 -0.32 1.15 -0.57 0.00 0.00 179.45 179.97 1uwi h THR 65 N 0.96 1.28 0.74 -0.16 2.02 -1.43 0.21 112.91 116.54 1uwi h THR 65 Ca 0.37 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.04 1uwi h THR 65 Cb 0.21 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1uwi h THR 65 CO -0.14 0.49 -0.36 -0.26 0.37 0.00 0.00 175.52 175.62 1uwi h PHE 66 N 0.66 -0.93 -0.81 3.16 -1.00 -0.71 -2.37 116.94 114.95 1uwi h PHE 66 Ca 0.07 -0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.92 1uwi h PHE 66 Cb 0.86 0.31 -0.07 0.00 3.61 0.00 0.00 35.95 40.65 1uwi h PHE 66 CO 0.05 -0.56 0.46 0.45 -1.61 0.00 0.00 178.31 177.09 1uwi h HIS 67 N -1.08 0.83 -0.89 -0.55 3.86 -0.72 -0.78 115.15 115.82 1uwi h HIS 67 Ca -0.10 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1uwi h HIS 67 Cb 0.78 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 1uwi h HIS 67 CO -0.01 0.34 0.48 -0.97 0.86 0.00 0.00 177.93 178.62 1uwi h ASN 68 N 0.77 1.13 -0.40 2.45 -1.24 -0.91 -0.32 115.58 117.06 1uwi h ASN 68 Ca 0.39 -0.11 -0.12 0.00 0.71 0.00 0.00 56.30 57.17 1uwi h ASN 68 Cb 0.35 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1uwi h ASN 68 CO -0.25 0.91 -0.21 0.78 -1.29 0.00 0.00 177.43 177.37 1uwi h ASN 69 N 1.25 0.92 -0.83 1.15 2.35 -0.74 -1.20 115.58 118.48 1uwi h ASN 69 Ca 0.31 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1uwi h ASN 69 Cb 0.05 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 1uwi h ASN 69 CO -0.05 1.10 0.43 0.00 -1.65 0.00 0.00 177.43 177.26 1uwi h ALA 70 N 0.96 1.18 -0.21 -0.83 0.00 -0.67 -0.91 119.26 118.78 1uwi h ALA 70 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uwi h ALA 70 Cb 0.76 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1uwi h ALA 70 CO 0.06 0.64 0.08 0.37 0.00 0.00 0.00 179.25 180.41 1uwi h GLN 71 N 1.18 0.31 0.00 0.00 4.15 -0.76 -1.13 115.11 118.86 1uwi h GLN 71 Ca 0.29 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 1uwi h GLN 71 Cb 0.08 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1uwi h GLN 71 CO -0.04 0.38 -0.07 0.87 -1.93 0.00 0.00 178.83 178.04 1uwi h LYS 72 N 0.18 0.00 -0.01 1.69 1.57 -0.80 -0.64 116.57 118.57 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 0.07 -0.09 -0.12 -0.57 0.00 0.00 179.45 178.73 1uwi n MET 73 N -3.66 1.06 -1.01 3.15 1.56 -0.38 -4.93 117.12 112.90 1uwi n MET 73 Ca -0.02 -0.48 -0.00 0.00 -0.27 0.00 0.00 57.70 56.92 1uwi n MET 73 Cb 0.18 -1.49 -0.00 0.00 2.15 0.00 0.00 33.22 34.05 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 0.46 3.77 -5.12 0.00 -0.25 -4.15 105.19 101.13 1uwi n GLY 74 Ca 0.17 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.10 4.10 -0.03 0.99 1.43 -0.50 -4.52 118.68 120.05 1uwi s LEU 75 Ca 0.00 2.25 0.05 0.00 -1.03 0.00 0.00 54.13 55.40 1uwi s LEU 75 Cb 0.00 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 42.14 1uwi s LEU 75 CO 0.00 -0.73 0.92 0.29 0.23 0.00 0.00 176.35 177.05 1uwi n LYS 76 N -0.20 0.97 -3.61 1.70 5.02 0.09 -4.67 118.16 117.46 1uwi n LYS 76 Ca 0.06 -1.38 -0.16 0.00 -2.02 0.00 0.00 58.31 54.81 1uwi n LYS 76 Cb 0.48 -0.86 -0.07 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.94 0.01 -0.08 -0.18 2.07 -1.23 -0.34 121.20 120.50 1uwi s ILE 77 Ca 0.08 -0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 59.14 1uwi s ILE 77 Cb 0.07 -0.89 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 0.00 174.94 173.26 1uwi s ALA 78 N -0.72 -0.67 -0.17 1.50 0.00 -0.15 -2.62 121.76 118.93 1uwi s ALA 78 Ca -0.08 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1uwi s ALA 78 Cb -0.02 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1uwi s ALA 78 CO 0.06 -0.16 -0.11 0.50 0.00 0.00 0.00 175.76 176.05 1uwi s ARG 79 N -0.22 2.04 0.39 0.00 3.00 -0.71 -1.16 118.95 122.29 1uwi s ARG 79 Ca -0.03 -0.63 0.04 0.00 -1.00 0.00 0.00 55.73 54.10 1uwi s ARG 79 Cb -0.03 -2.16 -0.03 0.00 0.00 0.00 0.00 34.95 32.72 1uwi s ARG 79 CO 0.01 -0.33 0.11 -0.51 0.00 0.00 0.00 175.30 174.58 1uwi s LEU 80 N 1.49 2.04 0.08 -0.88 1.02 -1.11 -1.67 118.68 119.65 1uwi s LEU 80 Ca 0.02 -1.61 0.01 0.00 0.02 0.00 0.00 54.13 52.58 1uwi s LEU 80 Cb -0.14 -0.19 -0.04 0.00 0.02 0.00 0.00 46.19 45.84 1uwi s LEU 80 CO -0.09 -0.86 -0.06 0.54 0.02 0.00 0.00 176.35 175.90 1uwi s ASN 81 N -3.59 0.95 -0.08 2.29 4.22 -1.26 -0.76 114.94 116.71 1uwi s ASN 81 Ca 0.26 -0.92 -0.08 0.00 -2.14 0.00 0.00 52.86 49.97 1uwi s ASN 81 Cb 0.04 0.11 -0.04 0.00 1.28 0.00 0.00 41.25 42.63 1uwi s ASN 81 CO 0.14 -0.45 0.20 -0.44 -2.04 0.00 0.00 177.10 174.52 1uwi s SER 82 N -2.75 6.48 -0.50 3.54 0.01 -1.10 -4.43 113.70 114.93 1uwi s SER 82 Ca 0.07 0.56 -0.24 0.00 1.31 0.00 0.00 55.95 57.65 1uwi s SER 82 Cb 0.03 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.19 1uwi s SER 82 CO -0.05 0.38 0.90 -1.61 0.41 0.00 0.00 173.24 173.27 1uwi s GLU 83 N -1.13 3.40 0.30 12.44 0.41 -1.26 -4.59 118.70 128.28 1uwi s GLU 83 Ca 0.18 -0.11 0.03 0.00 -0.41 0.00 0.00 54.97 54.65 1uwi s GLU 83 Cb -0.13 -3.99 0.75 0.00 -1.78 0.00 0.00 34.13 28.98 1uwi s GLU 83 CO 0.07 -1.32 1.61 2.35 -0.49 0.00 0.00 175.26 177.47 1uwi h TRP 84 N 9.17 0.18 -0.20 1.61 2.91 -1.87 0.18 115.95 127.93 1uwi h TRP 84 Ca -0.25 0.06 0.04 0.00 1.13 0.00 0.00 58.89 59.87 1uwi h TRP 84 Cb 1.08 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.79 1uwi h TRP 84 CO 0.87 -0.33 0.14 0.66 -1.03 0.00 0.00 178.44 178.75 1uwi h SER 85 N 0.09 0.08 0.34 2.65 4.64 -1.88 -1.19 113.55 118.29 1uwi h SER 85 Ca 0.58 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.71 1uwi h SER 85 Cb 1.22 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1uwi h SER 85 CO -0.78 0.06 -0.77 0.03 -0.87 0.00 0.00 176.83 174.49 1uwi h ARG 86 N 0.09 0.34 -0.06 4.77 3.08 -1.01 -2.60 114.38 119.00 1uwi h ARG 86 Ca 0.09 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 1uwi h ARG 86 Cb 0.24 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1uwi h ARG 86 CO -0.01 0.96 -0.24 1.96 -1.07 0.00 0.00 179.97 181.58 1uwi h GLN 87 N 0.22 0.26 -2.42 0.04 7.50 -1.24 -3.40 115.11 116.07 1uwi h GLN 87 Ca -0.04 -0.21 -0.60 0.00 0.50 0.00 0.00 58.65 58.31 1uwi h GLN 87 Cb 1.36 0.04 -0.41 0.00 0.05 0.00 0.00 27.48 28.52 1uwi h GLN 87 CO 0.13 0.85 -0.76 1.19 -1.50 0.00 0.00 178.83 178.74 1uwi n PHE 88 N -4.51 1.96 0.23 2.96 3.72 -0.53 -0.78 117.46 120.51 1uwi n PHE 88 Ca -0.08 -3.94 0.10 0.00 -0.05 0.00 0.00 57.45 53.48 1uwi n PHE 88 Cb 0.45 -0.40 0.49 0.00 -0.94 0.00 0.00 39.48 39.09 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 4.70 0.00 -5.98 -1.08 0.13 -1.67 -3.44 132.00 124.67 1uwi h PRO 89 Ca 0.17 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.22 -0.51 -0.80 -0.23 0.00 0.00 178.00 177.33 1uwi s ASN 90 N -6.20 6.22 0.30 1.44 0.02 -1.26 -4.79 114.94 110.67 1uwi s ASN 90 Ca -0.00 0.20 -0.30 0.00 -1.02 0.00 0.00 52.86 51.74 1uwi s ASN 90 Cb 0.11 -1.87 -0.11 0.00 0.02 0.00 0.00 41.25 39.39 1uwi s ASN 90 CO 0.63 0.14 1.58 -2.84 0.02 0.00 0.00 177.10 176.63 1uwi s PRO 91 N -2.65 4.13 0.18 -0.60 0.02 -1.26 -5.02 135.00 129.79 1uwi s PRO 91 Ca 0.34 2.56 -0.05 0.00 0.02 0.00 0.00 61.00 63.87 1uwi s PRO 91 Cb -0.12 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 1uwi s PRO 91 CO 0.27 -0.61 0.42 -0.51 -0.33 0.00 0.00 177.00 176.24 1uwi s LEU 92 N -0.62 4.23 0.36 -5.54 1.43 -1.26 -5.04 118.68 112.24 1uwi s LEU 92 Ca 0.62 0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 54.07 1uwi s LEU 92 Cb -0.47 -3.38 -0.11 0.00 0.03 0.00 0.00 46.19 42.26 1uwi s LEU 92 CO 0.49 -0.00 1.46 -2.84 0.23 0.00 0.00 176.35 175.68 1uwi s PRO 93 N -2.84 4.16 0.49 1.29 0.02 -1.26 -4.90 135.00 131.96 1uwi s PRO 93 Ca 0.42 2.49 -0.22 0.00 0.02 0.00 0.00 61.00 63.72 1uwi s PRO 93 Cb -0.12 -3.00 -0.09 0.00 0.02 0.00 0.00 34.50 31.32 1uwi s PRO 93 CO 0.25 -0.47 0.90 -2.13 -0.33 0.00 0.00 177.00 175.22 1uwi n ARG 94 N 0.70 1.06 -2.13 5.54 0.63 -1.26 -4.89 116.66 116.32 1uwi n ARG 94 Ca 0.01 0.39 -0.40 0.00 -0.92 0.00 0.00 57.85 56.94 1uwi n ARG 94 Cb 0.40 -1.99 -0.02 0.00 0.45 0.00 0.00 32.46 31.30 1uwi n ARG 94 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1uwi s PRO 95 N -2.18 4.18 -0.10 -0.14 0.02 -1.26 -4.96 135.00 130.55 1uwi s PRO 95 Ca 0.67 2.13 -0.24 0.00 0.02 0.00 0.00 61.00 63.58 1uwi s PRO 95 Cb -0.51 -2.90 -0.21 0.00 0.02 0.00 0.00 34.50 30.90 1uwi s PRO 95 CO 0.54 -0.31 0.80 0.37 -0.33 0.00 0.00 177.00 178.07 1uwi h GLN 96 N 3.02 -0.03 -1.84 5.54 4.15 -2.04 -3.35 115.11 120.56 1uwi h GLN 96 Ca -0.49 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 58.53 1uwi h GLN 96 Cb 1.23 0.01 -0.15 0.00 0.21 0.00 0.00 27.48 28.78 1uwi h GLN 96 CO 0.64 0.69 0.32 0.27 -1.93 0.00 0.00 178.83 178.82 1uwi n ASN 97 N -4.72 6.34 -3.89 -0.69 6.94 -1.26 -4.87 115.26 113.10 1uwi n ASN 97 Ca -0.08 -3.08 -0.26 0.00 -0.02 0.00 0.00 54.58 51.14 1uwi n ASN 97 Cb 0.36 -1.19 -0.17 0.00 -2.36 0.00 0.00 39.78 36.42 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 -1.47 1.34 -0.47 -2.53 5.36 -1.26 -5.10 117.98 113.86 1uwi s PHE 98 Ca 0.50 -0.63 -0.15 0.00 -0.96 0.00 0.00 56.93 55.69 1uwi s PHE 98 Cb 0.33 -1.15 0.07 0.00 -0.34 0.00 0.00 43.02 41.93 1uwi s PHE 98 CO -0.13 -0.46 0.38 0.34 -1.46 0.00 0.00 175.22 173.89 1uwi s ASP 99 N 1.66 6.10 0.52 6.13 2.15 -1.26 -4.94 116.67 127.04 1uwi s ASP 99 Ca 0.03 -1.35 0.35 0.00 0.43 0.00 0.00 52.55 52.01 1uwi s ASP 99 Cb -0.13 -2.17 1.67 0.00 -0.30 0.00 0.00 42.92 41.99 1uwi s ASP 99 CO -0.07 -0.64 2.04 -0.33 -0.17 0.00 0.00 175.17 176.01 1uwi h GLU 100 N 8.73 0.00 0.00 4.34 5.08 -1.98 -2.08 114.58 128.67 1uwi h GLU 100 Ca -0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1uwi h GLU 100 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1uwi h GLU 100 CO 0.87 0.00 -0.10 0.66 -1.00 0.00 0.00 179.01 179.44 1uwi h SER 101 N 0.00 0.00 -3.10 1.42 4.64 -2.01 -3.44 113.55 111.05 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 0.25 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.40 1uwi h SER 101 CO 0.00 0.10 0.87 -0.75 -0.87 0.00 0.00 176.83 176.18 1uwi s LYS 102 N -3.40 4.19 0.06 4.77 2.47 -0.78 -4.92 119.74 122.11 1uwi s LYS 102 Ca 0.04 2.45 -0.17 0.00 -1.56 0.00 0.00 55.97 56.73 1uwi s LYS 102 Cb 0.07 -3.09 -0.18 0.00 -1.46 0.00 0.00 37.83 33.17 1uwi s LYS 102 CO 0.63 -0.59 1.24 0.37 0.16 0.00 0.00 175.35 177.16 1uwi h GLN 103 N 5.73 0.59 -5.96 4.03 4.15 -1.88 -3.46 115.11 118.30 1uwi h GLN 103 Ca -0.45 -0.49 -0.63 0.00 0.77 0.00 0.00 58.65 57.85 1uwi h GLN 103 Cb 1.21 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.95 1uwi h GLN 103 CO 0.85 1.12 -0.53 -0.51 -1.93 0.00 0.00 178.83 177.82 1uwi s ASP 104 N -6.81 6.10 -0.56 -0.69 1.01 -1.26 -5.01 116.67 109.45 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 -1.83 0.15 0.00 1.01 0.00 0.00 42.92 42.31 1uwi s ASP 104 CO 0.85 0.20 0.35 -0.69 0.21 0.00 0.00 175.17 176.09 1uwi s VAL 105 N -1.41 2.24 -0.92 -1.27 1.01 -1.26 -4.95 120.40 113.84 1uwi s VAL 105 Ca 0.31 -3.44 0.28 0.00 0.00 0.00 0.00 61.98 59.12 1uwi s VAL 105 Cb -0.13 -2.52 0.25 0.00 0.00 0.00 0.00 36.38 33.98 1uwi s VAL 105 CO 0.23 -0.93 1.87 0.35 0.00 0.00 0.00 175.10 176.62 1uwi n THR 106 N 2.77 0.21 -3.59 3.92 -2.24 -1.26 -4.88 114.28 109.20 1uwi n THR 106 Ca 0.13 -0.07 -0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1uwi n THR 106 Cb 0.35 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.03 0.43 -0.09 -0.78 -1.05 -1.26 -4.87 118.70 108.04 1uwi s GLU 107 Ca 0.13 0.08 -0.01 0.00 -0.15 0.00 0.00 54.97 55.02 1uwi s GLU 107 Cb 0.17 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 34.09 1uwi s GLU 107 CO 0.54 -0.14 -0.03 0.08 0.95 0.00 0.00 175.26 176.66 1uwi s VAL 108 N -1.19 0.66 -0.03 1.83 1.01 -1.26 -5.11 120.40 116.32 1uwi s VAL 108 Ca 0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1uwi s VAL 108 Cb -0.01 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 1uwi s VAL 108 CO -0.02 0.29 1.65 -1.83 0.00 0.00 0.00 175.10 175.19 1uwi s GLU 109 N 1.85 4.19 -0.10 2.72 -1.05 -1.26 -4.95 118.70 120.11 1uwi s GLU 109 Ca 0.05 2.21 -0.00 0.00 -0.15 0.00 0.00 54.97 57.08 1uwi s GLU 109 Cb -0.12 -3.91 0.02 0.00 -0.44 0.00 0.00 34.13 29.68 1uwi s GLU 109 CO -0.07 -0.82 -0.08 0.42 0.95 0.00 0.00 175.26 175.67 1uwi s ILE 110 N 3.75 0.97 0.17 1.83 -1.09 -1.26 -5.02 121.20 120.56 1uwi s ILE 110 Ca 0.73 -0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.80 1uwi s ILE 110 Cb -0.34 -0.99 -0.02 0.00 -1.58 0.00 0.00 42.46 39.53 1uwi s ILE 110 CO 0.30 0.35 0.26 0.54 -1.23 0.00 0.00 174.94 175.16 1uwi s ASN 111 N 1.56 0.08 0.27 3.58 2.20 -1.26 -5.03 114.94 116.33 1uwi s ASN 111 Ca 0.02 -0.97 0.01 0.00 -0.94 0.00 0.00 52.86 50.97 1uwi s ASN 111 Cb -0.13 0.42 0.58 0.00 -2.00 0.00 0.00 41.25 40.12 1uwi s ASN 111 CO -0.06 -0.89 1.77 -0.08 -2.94 0.00 0.00 177.10 174.90 1uwi h GLU 112 N 2.57 0.66 -0.70 3.55 4.81 -1.99 -0.82 114.58 122.66 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 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1uwi h GLU 112 CO 0.49 0.44 0.46 -0.91 -0.73 0.00 0.00 179.01 178.76 1uwi h ASN 113 N 0.68 0.80 -0.35 1.04 2.35 -1.99 0.16 115.58 118.27 1uwi h ASN 113 Ca 0.49 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.21 1uwi h ASN 113 Cb 0.70 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1uwi h ASN 113 CO -0.36 0.58 0.16 -0.33 -1.65 0.00 0.00 177.43 175.83 1uwi h GLU 114 N 0.94 0.51 -0.90 0.81 4.39 -1.59 -2.09 114.58 116.65 1uwi h GLU 114 Ca 0.26 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1uwi h GLU 114 Cb -0.10 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 1uwi h GLU 114 CO -0.06 0.47 0.50 -0.07 -1.16 0.00 0.00 179.01 178.69 1uwi h LEU 115 N 0.43 1.12 -0.51 1.33 3.38 -0.70 -0.22 115.31 120.14 1uwi h LEU 115 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uwi h LEU 115 Cb 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1uwi h LEU 115 CO -0.01 0.89 0.31 0.11 0.09 0.00 0.00 178.44 179.83 1uwi h LYS 116 N 1.26 0.68 -0.22 1.13 1.79 -0.40 0.31 116.57 121.12 1uwi h LYS 116 Ca 0.32 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.58 1uwi h LYS 116 Cb 0.01 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1uwi h LYS 116 CO -0.05 0.49 -0.47 -0.09 -1.08 0.00 0.00 179.45 178.25 1uwi h ARG 117 N 0.68 0.57 -0.60 3.15 2.43 -1.04 -2.92 114.38 116.65 1uwi h ARG 117 Ca 0.18 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 1uwi h ARG 117 Cb -0.02 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1uwi h ARG 117 CO -0.03 0.92 0.17 1.25 -1.51 0.00 0.00 179.97 180.77 1uwi h LEU 118 N 0.46 0.90 -2.12 3.80 6.46 -0.71 -2.65 115.31 121.44 1uwi h LEU 118 Ca 0.03 -0.22 0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1uwi h LEU 118 Cb 0.99 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1uwi h LEU 118 CO 0.09 0.88 0.31 -0.78 -0.62 0.00 0.00 178.44 178.32 1uwi h ASP 119 N 0.87 0.00 0.88 1.25 1.82 -0.74 -0.42 116.42 120.08 1uwi h ASP 119 Ca 0.19 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1uwi h ASP 119 Cb 0.32 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1uwi h ASP 119 CO -0.00 0.00 -0.14 -0.33 -1.61 0.00 0.00 179.24 177.16 1uwi h GLU 120 N 0.00 0.00 0.00 0.28 5.08 -1.47 -2.89 114.58 115.58 1uwi h GLU 120 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1uwi h GLU 120 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1uwi h GLU 120 CO -0.00 0.14 -0.79 0.66 -1.00 0.00 0.00 179.01 178.02 1uwi n TYR 121 N -3.32 0.36 -2.23 4.33 4.01 -0.17 -4.96 117.16 115.17 1uwi n TYR 121 Ca 0.00 0.11 -0.36 0.00 -0.16 0.00 0.00 57.90 57.48 1uwi n TYR 121 Cb 0.37 -0.51 -0.00 0.00 -0.31 0.00 0.00 39.34 38.88 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 -3.16 2.83 -0.68 -0.72 0.00 -1.09 -4.82 121.76 114.11 1uwi s ALA 122 Ca 0.06 0.90 -0.24 0.00 0.00 0.00 0.00 51.96 52.68 1uwi s ALA 122 Cb 0.14 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.94 1uwi s ALA 122 CO 0.76 -0.75 1.04 1.21 0.00 0.00 0.00 175.76 178.02 1uwi s ASN 123 N -1.54 6.17 0.41 0.00 3.84 0.04 -4.90 114.94 118.96 1uwi s ASN 123 Ca 0.68 -0.87 0.08 0.00 0.21 0.00 0.00 52.86 52.97 1uwi s ASN 123 Cb -0.27 -2.45 0.88 0.00 -0.55 0.00 0.00 41.25 38.86 1uwi s ASN 123 CO 0.31 -1.53 2.03 0.11 -2.79 0.00 0.00 177.10 175.23 1uwi h LYS 124 N 9.67 0.54 -0.14 0.43 1.79 -1.93 -1.69 116.57 125.25 1uwi h LYS 124 Ca -0.28 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1uwi h LYS 124 Cb 1.07 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1uwi h LYS 124 CO 1.21 0.36 0.08 -0.44 -1.08 0.00 0.00 179.45 179.57 1uwi h ASP 125 N 0.56 0.17 -0.39 0.86 3.32 -1.97 0.28 116.42 119.26 1uwi h ASP 125 Ca 0.20 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1uwi h ASP 125 Cb 0.11 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1uwi h ASP 125 CO -0.05 0.19 0.11 0.00 -1.72 0.00 0.00 179.24 177.77 1uwi h ALA 126 N 0.99 0.51 -0.64 3.45 0.00 -1.80 -0.52 119.26 121.24 1uwi h ALA 126 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1uwi h ALA 126 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1uwi h ALA 126 CO -0.01 0.17 0.41 1.25 0.00 0.00 0.00 179.25 181.07 1uwi h LEU 127 N 0.48 0.70 -0.64 0.00 5.85 -1.08 -0.70 115.31 119.91 1uwi h LEU 127 Ca 0.12 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1uwi h LEU 127 Cb 0.29 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1uwi h LEU 127 CO -0.00 0.49 -0.28 0.78 -0.34 0.00 0.00 178.44 179.10 1uwi h ASN 128 N 0.83 0.79 -0.54 1.25 -0.26 -0.27 -2.34 115.58 115.03 1uwi h ASN 128 Ca 0.25 -0.31 -0.10 0.00 -0.56 0.00 0.00 56.30 55.58 1uwi h ASN 128 Cb -0.04 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1uwi h ASN 128 CO -0.08 1.02 -0.06 -0.74 -1.06 0.00 0.00 177.43 176.51 1uwi h HIS 129 N 0.65 1.10 -0.68 1.19 2.76 -0.66 -1.84 115.15 117.67 1uwi h HIS 129 Ca 0.08 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1uwi h HIS 129 Cb 0.80 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 1uwi h HIS 129 CO 0.04 1.01 0.43 1.88 -1.30 0.00 0.00 177.93 179.99 1uwi h TYR 130 N 0.87 0.88 -0.93 5.26 0.05 -1.00 -0.65 116.97 121.45 1uwi h TYR 130 Ca 0.15 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.96 1uwi h TYR 130 Cb 0.61 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 38.01 1uwi h TYR 130 CO 0.04 0.58 0.61 -0.09 -1.05 0.00 0.00 178.16 178.26 1uwi h ARG 131 N 0.93 1.16 -0.33 4.88 2.43 -1.15 0.11 114.38 122.41 1uwi h ARG 131 Ca 0.25 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1uwi h ARG 131 Cb -0.06 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.21 1uwi h ARG 131 CO -0.05 0.77 0.03 0.93 -1.51 0.00 0.00 179.97 180.14 1uwi h GLU 132 N 1.19 0.56 -0.25 0.20 5.08 -0.49 0.21 114.58 121.09 1uwi h GLU 132 Ca 0.37 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1uwi h GLU 132 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1uwi h GLU 132 CO -0.11 0.66 0.16 0.82 -1.00 0.00 0.00 179.01 179.55 1uwi h ILE 133 N 0.38 1.07 -0.13 3.13 2.04 -0.31 -1.26 117.51 122.42 1uwi h ILE 133 Ca 0.10 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 1uwi h ILE 133 Cb 0.39 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1uwi h ILE 133 CO 0.01 0.07 -0.40 -0.26 0.00 0.00 0.00 178.15 177.57 1uwi h PHE 134 N 0.33 0.34 -0.62 1.37 0.04 -0.68 -1.76 116.94 115.94 1uwi h PHE 134 Ca 0.09 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1uwi h PHE 134 Cb -0.02 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1uwi h PHE 134 CO -0.06 0.65 0.03 0.87 -0.60 0.00 0.00 178.31 179.20 1uwi h LYS 135 N 0.24 1.08 -0.75 1.51 1.57 -0.28 -0.22 116.57 119.73 1uwi h LYS 135 Ca 0.02 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1uwi h LYS 135 Cb 0.81 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1uwi h LYS 135 CO 0.06 1.04 0.30 0.22 -0.57 0.00 0.00 179.45 180.50 1uwi h ASP 136 N 0.99 1.04 -0.08 0.86 1.82 -0.93 0.10 116.42 120.24 1uwi h ASP 136 Ca 0.18 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1uwi h ASP 136 Cb 0.53 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 1uwi h ASP 136 CO 0.03 0.93 0.05 0.25 -1.61 0.00 0.00 179.24 178.89 1uwi h LEU 137 N 1.09 0.09 -0.61 2.28 5.85 -0.90 -3.00 115.31 120.11 1uwi h LEU 137 Ca 0.25 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 1uwi h LEU 137 Cb 0.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1uwi h LEU 137 CO -0.02 0.07 -0.30 0.11 -0.34 0.00 0.00 178.44 177.96 1uwi h LYS 138 N 0.10 0.78 0.00 1.25 1.79 -0.78 -2.77 116.57 116.93 1uwi h LYS 138 Ca 0.03 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1uwi h LYS 138 Cb -0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1uwi h LYS 138 CO -0.01 0.98 0.00 0.66 -1.08 0.00 0.00 179.45 180.00 1uwi h SER 139 N 0.66 0.00 -0.60 0.86 4.64 -0.70 0.47 113.55 118.89 1uwi h SER 139 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1uwi h SER 139 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1uwi h SER 139 CO 0.07 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 1uwi n ARG 140 N -2.30 2.49 -1.00 4.77 1.74 -1.05 -4.94 116.66 116.38 1uwi n ARG 140 Ca -0.01 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 1uwi n ARG 140 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.42 0.40 3.72 -0.13 0.00 0.16 -5.02 105.19 105.75 1uwi n GLY 141 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 4.45 0.41 0.99 1.43 -1.20 -4.89 118.68 119.86 1uwi s LEU 142 Ca 0.00 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 54.53 1uwi s LEU 142 Cb 0.00 -3.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 1uwi s LEU 142 CO 0.00 -0.12 1.22 -0.47 0.23 0.00 0.00 176.35 177.21 1uwi s TYR 143 N 0.34 2.95 -0.15 0.29 5.04 0.53 -4.52 117.35 121.83 1uwi s TYR 143 Ca 0.47 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.60 1uwi s TYR 143 Cb -0.22 -3.50 0.03 0.00 0.35 0.00 0.00 41.96 38.61 1uwi s TYR 143 CO 0.28 -1.64 -0.13 0.12 -1.34 0.00 0.00 175.55 172.84 1uwi s PHE 144 N -1.36 2.11 -0.33 4.97 5.36 -1.26 -0.98 117.98 126.50 1uwi s PHE 144 Ca 0.57 -1.22 -0.11 0.00 -0.96 0.00 0.00 56.93 55.22 1uwi s PHE 144 Cb -0.34 -1.55 -0.00 0.00 -0.34 0.00 0.00 43.02 40.79 1uwi s PHE 144 CO 0.42 -0.66 0.18 0.42 -1.46 0.00 0.00 175.22 174.12 1uwi s ILE 145 N 1.50 4.76 -0.33 3.12 1.01 -0.31 -1.45 121.20 129.51 1uwi s ILE 145 Ca 0.04 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 1uwi s ILE 145 Cb -0.13 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1uwi s ILE 145 CO -0.10 -0.00 0.63 -1.58 0.00 0.00 0.00 174.94 173.89 1uwi s GLN 146 N 1.63 3.81 -0.16 2.79 2.00 0.10 -2.74 119.66 127.09 1uwi s GLN 146 Ca 0.05 0.19 -0.08 0.00 -2.00 0.00 0.00 55.36 53.52 1uwi s GLN 146 Cb -0.17 -3.76 -0.04 0.00 0.80 0.00 0.00 33.01 29.83 1uwi s GLN 146 CO 0.07 -0.64 0.11 1.21 -0.50 0.00 0.00 175.29 175.55 1uwi s ASN 147 N 1.70 6.12 0.14 6.67 2.47 0.06 -0.57 114.94 131.54 1uwi s ASN 147 Ca 0.25 0.30 0.13 0.00 0.42 0.00 0.00 52.86 53.95 1uwi s ASN 147 Cb -0.15 -2.02 -0.10 0.00 -1.45 0.00 0.00 41.25 37.54 1uwi s ASN 147 CO 0.13 0.29 1.16 0.24 -3.72 0.00 0.00 177.10 175.20 1uwi h MET 148 N 5.87 0.00 -2.90 0.43 2.86 -0.90 -2.93 114.93 117.36 1uwi h MET 148 Ca -0.47 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.01 1uwi h MET 148 Cb 1.19 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.57 1uwi h MET 148 CO 0.66 0.61 -0.41 -0.47 1.06 0.00 0.00 176.91 178.36 1uwi s TYR 149 N -2.83 -0.42 -0.37 -0.22 5.04 -0.97 -4.55 117.35 113.05 1uwi s TYR 149 Ca 0.01 0.95 0.14 0.00 -2.44 0.00 0.00 57.07 55.72 1uwi s TYR 149 Cb 0.09 0.12 0.43 0.00 0.35 0.00 0.00 41.96 42.95 1uwi s TYR 149 CO 0.79 -0.26 0.95 1.58 -1.34 0.00 0.00 175.55 177.28 1uwi n HIS 150 N 4.08 1.67 0.00 4.97 -0.00 -1.26 -0.85 115.22 123.82 1uwi n HIS 150 Ca -0.23 -3.07 0.00 0.00 -0.00 0.00 0.00 57.72 54.42 1uwi n HIS 150 Cb 0.54 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 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 -0.12 0.00 -1.78 1.57 7.02 -1.26 -4.91 117.44 117.97 1uwi n TRP 151 Ca 0.19 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.26 1uwi n TRP 151 Cb 0.74 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.63 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 4.10 0.02 -0.99 0.02 -1.26 -4.96 135.00 131.93 1uwi s PRO 152 Ca 0.00 2.59 0.07 0.00 0.02 0.00 0.00 61.00 63.68 1uwi s PRO 152 Cb 0.00 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1uwi s PRO 152 CO 0.00 -0.58 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.39 1uwi s LEU 153 N -1.64 2.52 0.39 -5.54 1.43 -1.26 -4.80 118.68 109.79 1uwi s LEU 153 Ca 0.56 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 1uwi s LEU 153 Cb -0.47 -1.48 -0.11 0.00 0.03 0.00 0.00 46.19 44.16 1uwi s LEU 153 CO 0.59 0.28 1.48 -0.81 0.23 0.00 0.00 176.35 178.12 1uwi n PRO 154 N 1.81 2.61 -0.24 1.29 -0.04 -1.26 -1.03 135.00 138.14 1uwi n PRO 154 Ca -0.16 0.92 0.21 0.00 -0.04 0.00 0.00 63.50 64.43 1uwi n PRO 154 Cb 0.52 -2.66 0.56 0.00 -0.04 0.00 0.00 33.50 31.87 1uwi n PRO 154 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1uwi h LEU 155 N 2.84 0.32 0.00 1.53 3.38 -0.63 0.57 115.31 123.32 1uwi h LEU 155 Ca -0.51 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.50 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 0.12 0.00 -2.67 0.09 0.00 0.00 178.44 176.61 1uwi n TRP 156 N -4.47 0.00 0.24 1.13 4.27 -1.26 -1.91 117.44 115.44 1uwi n TRP 156 Ca 0.20 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.84 1uwi n TRP 156 Cb 0.77 -0.24 -0.04 0.00 -1.36 0.00 0.00 31.31 30.44 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 -1.24 0.24 -3.28 5.67 4.77 0.17 -4.84 117.00 118.50 1uwi n LEU 157 Ca 0.07 -0.36 0.03 0.00 -0.03 0.00 0.00 56.01 55.72 1uwi n LEU 157 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1uwi n LEU 157 CO 0.10 0.06 0.28 -2.28 -1.33 0.00 0.00 177.39 174.22 1uwi s HIS 158 N -1.89 -1.33 -0.60 -1.77 5.04 -0.80 -0.55 115.29 113.38 1uwi s HIS 158 Ca 0.01 1.65 -0.12 0.00 -1.54 0.00 0.00 55.06 55.07 1uwi s HIS 158 Cb 0.05 0.56 0.15 0.00 0.04 0.00 0.00 32.58 33.38 1uwi s HIS 158 CO 0.29 -0.71 0.51 0.34 -2.34 0.00 0.00 174.74 172.84 1uwi s ASP 159 N 2.85 6.08 0.37 9.88 -1.08 -0.38 -4.38 116.67 130.01 1uwi s ASP 159 Ca 0.10 -2.19 0.07 0.00 -0.52 0.00 0.00 52.55 50.01 1uwi s ASP 159 Cb -0.13 -2.11 0.78 0.00 -1.46 0.00 0.00 42.92 40.00 1uwi s ASP 159 CO -0.19 -0.68 1.96 1.55 0.52 0.00 0.00 175.17 178.33 1uwi h PRO 160 N 8.25 0.69 -0.41 4.34 0.13 -1.86 -2.81 132.00 140.33 1uwi h PRO 160 Ca -0.13 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 1uwi h PRO 160 Cb 1.06 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1uwi h PRO 160 CO 0.87 0.46 -0.09 0.82 -0.23 0.00 0.00 178.00 179.82 1uwi h ILE 161 N 0.71 1.27 0.08 -3.56 1.08 -1.92 -0.13 117.51 115.04 1uwi h ILE 161 Ca 0.31 -1.18 0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1uwi h ILE 161 Cb 0.30 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 1uwi h ILE 161 CO -0.10 0.40 -0.19 -0.09 -0.69 0.00 0.00 178.15 177.47 1uwi h ARG 162 N 0.60 -0.34 -0.73 2.37 2.43 -1.83 -1.73 114.38 115.15 1uwi h ARG 162 Ca 0.10 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1uwi h ARG 162 Cb 0.62 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1uwi h ARG 162 CO 0.04 -0.23 0.24 0.28 -1.51 0.00 0.00 179.97 178.80 1uwi h VAL 163 N -0.35 1.26 -0.43 0.20 2.07 -1.46 -2.28 116.25 115.25 1uwi h VAL 163 Ca 0.03 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1uwi h VAL 163 Cb 0.38 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1uwi h VAL 163 CO -0.12 0.34 0.29 -0.09 0.02 0.00 0.00 177.57 178.01 1uwi h ARG 164 N 1.07 0.43 0.00 1.57 1.12 -0.57 -0.04 114.38 117.96 1uwi h ARG 164 Ca 0.24 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1uwi h ARG 164 Cb 0.27 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 1uwi h ARG 164 CO -0.01 0.28 0.00 0.54 -3.11 0.00 0.00 179.97 177.67 1uwi n ARG 165 N -4.48 0.78 -0.41 0.20 1.74 -0.69 -4.83 116.66 108.97 1uwi n ARG 165 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1uwi n ARG 165 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.02 0.77 3.53 -0.13 0.00 -0.03 -5.04 105.19 105.31 1uwi n GLY 166 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.27 6.24 -0.32 1.61 2.15 -0.93 -4.95 116.67 118.20 1uwi s ASP 167 Ca 0.00 -0.29 0.09 0.00 0.43 0.00 0.00 52.55 52.78 1uwi s ASP 167 Cb 0.00 -2.24 0.61 0.00 -0.30 0.00 0.00 42.92 40.99 1uwi s ASP 167 CO 0.00 -0.49 1.66 0.49 -0.17 0.00 0.00 175.17 176.66 1uwi n PHE 168 N 5.63 1.91 1.16 -5.34 3.72 -1.26 -3.47 117.46 119.81 1uwi n PHE 168 Ca -0.07 -1.47 0.12 0.00 -0.05 0.00 0.00 57.45 55.99 1uwi n PHE 168 Cb 0.49 -0.63 0.23 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.81 0.00 -2.97 4.37 -2.24 -1.26 -4.96 114.28 106.42 1uwi n THR 169 Ca 0.40 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1uwi n THR 169 Cb 1.27 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 70.36 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 1.35 5.03 3.61 3.38 0.00 -1.26 -5.03 105.19 112.27 1uwi n GLY 170 Ca 0.12 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 1uwi n GLY 170 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uwi s PRO 171 N 0.53 3.32 -0.29 1.61 0.02 -1.26 -4.86 135.00 134.07 1uwi s PRO 171 Ca 0.00 2.14 0.11 0.00 0.02 0.00 0.00 61.00 63.27 1uwi s PRO 171 Cb 0.00 -4.34 0.69 0.00 0.02 0.00 0.00 34.50 30.88 1uwi s PRO 171 CO 0.00 -1.90 1.70 -1.13 -0.33 0.00 0.00 177.00 175.35 1uwi n SER 172 N 10.93 4.53 0.00 2.53 3.41 -1.23 -1.25 113.62 132.55 1uwi n SER 172 Ca 0.28 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 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 -0.24 3.05 0.00 5.00 0.00 0.29 -1.70 105.19 111.58 1uwi n GLY 173 Ca 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 0.99 1.61 7.02 -1.26 -1.49 117.44 138.31 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 0.32 0.00 -2.42 0.00 0.00 31.31 29.21 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 -0.85 0.41 -4.44 -0.99 4.77 -0.69 -4.28 117.00 110.94 1uwi n LEU 175 Ca 0.06 0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 1uwi n LEU 175 Cb 0.03 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.69 1uwi n LEU 175 CO 0.05 0.10 -0.43 -0.55 -1.33 0.00 0.00 177.39 175.22 1uwi s SER 176 N -3.01 4.14 0.31 -1.43 0.15 -0.56 -4.98 113.70 108.32 1uwi s SER 176 Ca 0.11 -0.24 0.25 0.00 0.70 0.00 0.00 55.95 56.78 1uwi s SER 176 Cb 0.18 -1.34 1.08 0.00 -1.71 0.00 0.00 66.02 64.23 1uwi s SER 176 CO 0.67 0.24 1.75 0.71 1.20 0.00 0.00 173.24 177.81 1uwi h THR 177 N 4.93 0.00 -0.73 6.45 1.35 -1.86 -1.68 112.91 121.38 1uwi h THR 177 Ca -0.35 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1uwi h THR 177 Cb 1.19 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 1uwi h THR 177 CO 0.54 0.00 0.36 -0.09 -0.25 0.00 0.00 175.52 176.09 1uwi h ARG 178 N 0.00 1.03 -0.53 4.72 9.65 -1.92 0.65 114.38 127.97 1uwi h ARG 178 Ca 0.00 -0.13 -0.10 0.00 -1.10 0.00 0.00 59.98 58.65 1uwi h ARG 178 Cb 0.33 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1uwi h ARG 178 CO 0.00 0.78 -0.06 1.15 2.80 0.00 0.00 179.97 184.64 1uwi h THR 179 N 1.03 1.27 0.01 0.20 2.02 -1.54 -0.88 112.91 115.02 1uwi h THR 179 Ca 0.25 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 1uwi h THR 179 Cb 0.08 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1uwi h THR 179 CO -0.04 0.42 -0.00 0.58 0.37 0.00 0.00 175.52 176.86 1uwi h VAL 180 N 0.85 1.00 -0.00 3.16 2.07 -1.38 0.11 116.25 122.07 1uwi h VAL 180 Ca 0.14 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1uwi h VAL 180 Cb 0.62 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1uwi h VAL 180 CO 0.04 0.01 -0.16 0.22 0.02 0.00 0.00 177.57 177.70 1uwi h TYR 181 N -0.02 -0.41 -0.06 1.57 5.03 -0.73 -2.19 116.97 120.15 1uwi h TYR 181 Ca -0.00 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.26 1uwi h TYR 181 Cb 0.02 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1uwi h TYR 181 CO -0.08 -0.23 -0.23 0.93 -1.32 0.00 0.00 178.16 177.23 1uwi h GLU 182 N -0.26 0.11 -0.45 1.82 4.39 -1.02 -2.83 114.58 116.33 1uwi h GLU 182 Ca 0.05 -0.03 -0.13 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 28.96 1uwi h GLU 182 CO -0.16 0.34 -0.23 0.35 -1.16 0.00 0.00 179.01 178.15 1uwi h PHE 183 N 0.10 1.05 -0.09 4.33 3.57 -0.52 0.33 116.94 125.71 1uwi h PHE 183 Ca 0.02 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.26 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 1.05 0.06 0.00 -2.23 0.00 0.00 178.31 177.19 1uwi h ALA 184 N 0.94 0.11 -0.46 2.41 0.00 -1.17 0.38 119.26 121.47 1uwi h ALA 184 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uwi h ALA 184 Cb 0.79 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1uwi h ALA 184 CO 0.07 -0.38 0.28 0.00 0.00 0.00 0.00 179.25 179.21 1uwi h ARG 185 N 0.10 0.62 -0.26 0.00 3.08 -1.39 -1.83 114.38 114.69 1uwi h ARG 185 Ca 0.03 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1uwi h ARG 185 Cb 0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1uwi h ARG 185 CO -0.01 0.45 0.09 0.35 -1.07 0.00 0.00 179.97 179.79 1uwi h PHE 186 N 0.61 0.17 -0.42 3.04 3.57 -0.65 0.42 116.94 123.67 1uwi h PHE 186 Ca 0.16 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1uwi h PHE 186 Cb -0.01 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1uwi h PHE 186 CO -0.03 0.08 0.25 0.77 -2.23 0.00 0.00 178.31 177.15 1uwi h SER 187 N 0.21 0.39 -0.68 0.41 0.02 -0.67 -1.02 113.55 112.22 1uwi h SER 187 Ca 0.11 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1uwi h SER 187 Cb 0.07 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1uwi h SER 187 CO -0.11 0.28 0.40 0.00 -1.14 0.00 0.00 176.83 176.26 1uwi h ALA 188 N 1.19 0.87 0.02 3.77 0.00 -1.01 -1.99 119.26 122.11 1uwi h ALA 188 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1uwi h ALA 188 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1uwi h ALA 188 CO -0.08 0.36 -0.12 -0.92 0.00 0.00 0.00 179.25 178.49 1uwi h TYR 189 N 0.93 -0.31 -0.69 0.00 3.20 -0.25 0.45 116.97 120.30 1uwi h TYR 189 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1uwi h TYR 189 Cb -0.01 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1uwi h TYR 189 CO -0.01 -0.18 0.45 1.15 -1.64 0.00 0.00 178.16 177.93 1uwi h THR 190 N -0.21 1.18 -0.52 1.81 2.02 -1.00 -1.49 112.91 114.69 1uwi h THR 190 Ca 0.04 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1uwi h THR 190 Cb 0.26 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1uwi h THR 190 CO -0.11 0.18 0.05 0.00 0.37 0.00 0.00 175.52 176.01 1uwi h ALA 191 N 1.25 1.11 -0.20 6.16 0.00 -1.13 0.16 119.26 126.60 1uwi h ALA 191 Ca 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1uwi h ALA 191 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1uwi h ALA 191 CO -0.05 0.58 -0.02 2.35 0.00 0.00 0.00 179.25 182.10 1uwi h TRP 192 N 0.79 0.30 0.00 0.00 7.01 -0.23 -0.54 115.95 123.28 1uwi h TRP 192 Ca 0.16 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.14 1uwi h TRP 192 Cb 0.41 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1uwi h TRP 192 CO 0.02 0.33 -1.75 1.63 -2.79 0.00 0.00 178.44 175.88 1uwi n LYS 193 N -4.35 0.55 -0.00 2.65 5.02 -0.63 -4.55 118.16 116.86 1uwi n LYS 193 Ca -0.00 -0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.16 1uwi n LYS 193 Cb 0.20 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.18 0.01 -0.27 2.13 3.72 0.49 -4.76 117.46 116.60 1uwi n PHE 194 Ca -0.02 -0.03 0.27 0.00 -0.05 0.00 0.00 57.45 57.61 1uwi n PHE 194 Cb 0.53 -0.00 0.63 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 0.47 0.21 0.72 4.37 3.58 -1.28 0.27 116.42 124.75 1uwi h ASP 195 Ca 0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1uwi h ASP 195 Cb 0.13 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1uwi h ASP 195 CO 0.00 0.06 -0.02 -2.24 -2.88 0.00 0.00 179.24 174.15 1uwi h ASP 196 N 0.19 0.00 0.00 2.28 2.03 -1.85 -3.00 116.42 116.07 1uwi h ASP 196 Ca 0.52 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.72 1uwi h ASP 196 Cb 1.68 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.16 1uwi h ASP 196 CO -0.12 0.02 -2.02 0.18 -1.03 0.00 0.00 179.24 176.27 1uwi n LEU 197 N -3.15 0.00 -4.79 0.15 4.77 0.90 -4.99 117.00 109.88 1uwi n LEU 197 Ca -0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 1uwi n LEU 197 Cb 0.25 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1uwi n LEU 197 CO 0.26 0.13 0.48 -0.69 -1.33 0.00 0.00 177.39 176.24 1uwi s VAL 198 N -3.15 4.43 -0.25 4.08 1.01 -0.82 -4.78 120.40 120.92 1uwi s VAL 198 Ca -0.08 1.54 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 1uwi s VAL 198 Cb 0.11 -3.99 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 1uwi s VAL 198 CO 0.82 0.31 -0.27 0.47 0.00 0.00 0.00 175.10 176.43 1uwi n ASP 199 N 1.00 1.97 -3.85 3.32 8.00 -0.53 -4.94 116.55 121.52 1uwi n ASP 199 Ca -0.03 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 1uwi n ASP 199 Cb 0.50 -0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.47 0.38 0.23 -1.24 2.02 -1.02 -4.37 118.70 112.23 1uwi s GLU 200 Ca -0.34 -0.16 0.07 0.00 0.02 0.00 0.00 54.97 54.56 1uwi s GLU 200 Cb 0.11 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1uwi s GLU 200 CO 0.50 -0.08 0.14 0.71 0.02 0.00 0.00 175.26 176.55 1uwi s TYR 201 N -0.84 3.03 -0.04 1.61 2.02 0.17 0.03 117.35 123.33 1uwi s TYR 201 Ca -0.09 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1uwi s TYR 201 Cb -0.05 -1.38 0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1uwi s TYR 201 CO 0.01 0.54 0.09 0.45 -1.57 0.00 0.00 175.55 175.06 1uwi s SER 202 N -3.62 0.04 -0.02 2.29 0.15 0.26 -1.06 113.70 111.74 1uwi s SER 202 Ca 0.32 0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.88 1uwi s SER 202 Cb -0.08 0.05 -0.20 0.00 -1.71 0.00 0.00 66.02 64.08 1uwi s SER 202 CO 0.23 -0.15 1.26 0.71 1.20 0.00 0.00 173.24 176.49 1uwi h THR 203 N 6.20 1.40 -3.79 6.45 1.35 -1.60 0.38 112.91 123.31 1uwi h THR 203 Ca -0.43 -1.20 -0.09 0.00 -0.55 0.00 0.00 66.41 64.14 1uwi h THR 203 Cb 1.13 2.19 -0.11 0.00 -1.73 0.00 0.00 68.15 69.63 1uwi h THR 203 CO 0.43 0.32 -0.22 0.00 -0.25 0.00 0.00 175.52 175.80 1uwi s MET 204 N -4.19 1.35 -0.16 4.72 0.23 -1.26 -2.28 119.30 117.71 1uwi s MET 204 Ca -0.16 -1.21 -0.02 0.00 -1.03 0.00 0.00 55.69 53.27 1uwi s MET 204 Cb 0.02 0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 33.73 1uwi s MET 204 CO 0.68 -0.53 -0.10 1.21 -2.03 0.00 0.00 175.02 174.25 1uwi s ASN 205 N -3.00 4.14 -1.15 -1.18 2.47 -0.03 -1.97 114.94 114.22 1uwi s ASN 205 Ca 0.21 -0.35 -0.29 0.00 0.42 0.00 0.00 52.86 52.85 1uwi s ASN 205 Cb 0.01 -1.66 0.04 0.00 -1.45 0.00 0.00 41.25 38.19 1uwi s ASN 205 CO 0.05 0.10 0.67 -0.62 -3.72 0.00 0.00 177.10 173.58 1uwi n GLU 206 N 4.00 -0.45 0.24 0.43 1.02 0.18 -4.67 120.64 121.39 1uwi n GLU 206 Ca -0.18 0.19 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1uwi n GLU 206 Cb 0.52 -2.51 0.58 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.27 0.00 -0.35 3.49 0.13 -1.88 -2.17 132.00 128.94 1uwi h PRO 207 Ca -0.70 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.37 1uwi h PRO 207 Cb 1.41 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.52 1uwi h PRO 207 CO 0.49 0.09 -0.00 -2.95 -0.23 0.00 0.00 178.00 175.40 1uwi h ASN 208 N 0.00 0.52 -0.29 1.44 -1.07 -1.92 -2.41 115.58 111.85 1uwi h ASN 208 Ca -0.00 -0.10 -0.17 0.00 0.07 0.00 0.00 56.30 56.09 1uwi h ASN 208 Cb 0.15 -0.14 -0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1uwi h ASN 208 CO 0.01 0.60 -0.48 0.58 0.07 0.00 0.00 177.43 178.20 1uwi h VAL 209 N 0.53 1.28 0.00 6.14 2.07 -1.76 0.13 116.25 124.64 1uwi h VAL 209 Ca 0.11 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 65.99 1uwi h VAL 209 Cb 0.35 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1uwi h VAL 209 CO 0.01 0.55 -0.20 0.58 0.02 0.00 0.00 177.57 178.53 1uwi h VAL 210 N 0.68 0.52 0.03 2.57 2.07 -1.31 0.10 116.25 120.91 1uwi h VAL 210 Ca 0.03 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.32 1uwi h VAL 210 Cb 1.08 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1uwi h VAL 210 CO 0.11 0.00 -0.99 1.23 0.02 0.00 0.00 177.57 177.94 1uwi h GLY 211 N -0.33 0.35 0.65 2.17 0.00 -1.47 -2.33 103.07 102.11 1uwi h GLY 211 Ca 0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1uwi h GLY 211 CO -0.19 0.60 -0.21 -1.33 0.00 0.00 0.00 176.54 175.41 1uwi h GLY 212 N 1.51 -0.63 2.00 4.60 0.00 -0.56 -2.83 103.07 107.17 1uwi h GLY 212 Ca -0.08 0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 1uwi h GLY 212 CO 0.16 -0.23 -0.61 1.41 0.00 0.00 0.00 176.54 177.28 1uwi h LEU 213 N -0.96 0.00 -0.75 3.11 3.38 -0.95 -0.89 115.31 118.25 1uwi h LEU 213 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1uwi h LEU 213 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1uwi h LEU 213 CO 0.10 0.61 -0.38 1.23 0.09 0.00 0.00 178.44 180.09 1uwi h GLY 214 N 2.51 0.55 0.00 0.83 0.00 -1.49 -3.30 103.07 102.16 1uwi h GLY 214 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1uwi h GLY 214 CO 0.08 0.48 0.00 -1.72 0.00 0.00 0.00 176.54 175.38 1uwi n TYR 215 N -4.04 0.00 0.06 5.60 4.01 -1.07 -2.03 117.16 119.69 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 -0.03 0.37 -1.66 -0.72 0.31 -0.42 -0.59 118.33 115.58 1uwi n VAL 216 Ca 0.00 0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 64.09 1uwi n VAL 216 Cb 0.02 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 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 2.43 4.68 0.24 2.92 0.00 -0.75 -4.73 105.19 109.98 1uwi n GLY 217 Ca 0.00 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 2.61 0.00 0.00 1.61 -1.51 -1.86 -0.83 116.25 116.27 1uwi h VAL 218 Ca 0.69 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.16 1uwi h VAL 218 Cb 0.43 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1uwi h VAL 218 CO 1.42 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 178.05 1uwi n LYS 219 N -2.54 0.09 0.13 5.19 5.02 -1.26 -2.68 118.16 122.12 1uwi n LYS 219 Ca -0.02 0.22 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1uwi n LYS 219 Cb 0.17 -1.64 0.47 0.00 -0.02 0.00 0.00 35.03 34.00 1uwi n LYS 219 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1uwi h SER 220 N 0.00 0.00 -0.73 4.39 4.64 -1.46 -3.47 113.55 116.92 1uwi h SER 220 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1uwi h SER 220 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1uwi h SER 220 CO 0.00 0.00 -0.08 0.61 -0.87 0.00 0.00 176.83 176.49 1uwi n GLY 221 N 0.49 0.38 3.80 -0.77 0.00 -1.09 -4.71 105.19 103.28 1uwi n GLY 221 Ca 0.03 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.37 3.39 0.50 1.61 0.40 -1.26 -4.65 117.98 115.60 1uwi s PHE 222 Ca 0.02 0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 56.49 1uwi s PHE 222 Cb -0.01 -1.85 -0.07 0.00 0.51 0.00 0.00 43.02 41.60 1uwi s PHE 222 CO 0.03 0.61 1.16 -1.25 0.70 0.00 0.00 175.22 176.46 1uwi s PRO 223 N -1.12 3.56 0.00 0.24 0.04 -1.26 -1.37 135.00 135.09 1uwi s PRO 223 Ca 0.16 1.72 0.29 0.00 0.04 0.00 0.00 61.00 63.22 1uwi s PRO 223 Cb -0.12 -2.23 1.34 0.00 0.04 0.00 0.00 34.50 33.54 1uwi s PRO 223 CO 0.05 -0.71 1.92 -0.35 0.04 0.00 0.00 177.00 177.96 1uwi n PRO 224 N -0.86 1.08 -2.83 0.56 -0.04 -1.25 -4.47 135.00 127.19 1uwi n PRO 224 Ca 0.09 -0.40 -0.17 0.00 -0.04 0.00 0.00 63.50 62.98 1uwi n PRO 224 Cb 0.49 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.17 -0.22 3.41 0.55 0.00 -0.47 -3.85 105.19 105.78 1uwi n GLY 225 Ca 0.18 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.02 3.16 -0.33 1.61 6.14 -1.12 -4.90 117.35 118.88 1uwi s TYR 226 Ca 0.23 -0.67 -0.29 0.00 0.64 0.00 0.00 57.07 56.98 1uwi s TYR 226 Cb -0.10 -2.31 -0.00 0.00 0.42 0.00 0.00 41.96 39.97 1uwi s TYR 226 CO 0.28 -0.48 1.43 -1.17 0.64 0.00 0.00 175.55 176.25 1uwi s LEU 227 N 1.58 3.75 -0.30 6.97 2.96 -1.26 -4.24 118.68 128.14 1uwi s LEU 227 Ca 0.04 1.14 -0.11 0.00 -0.22 0.00 0.00 54.13 54.99 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 0.05 -1.28 0.84 -0.55 -1.32 0.00 0.00 176.35 174.09 1uwi s SER 228 N 3.67 -0.85 0.15 3.68 0.15 0.24 -5.03 113.70 115.71 1uwi s SER 228 Ca 0.62 0.88 -0.17 0.00 0.70 0.00 0.00 55.95 57.98 1uwi s SER 228 Cb -0.17 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 1uwi s SER 228 CO 0.28 -0.16 1.81 -0.26 1.20 0.00 0.00 173.24 176.11 1uwi h PHE 229 N 7.81 0.45 -0.05 3.44 0.04 -1.93 -1.85 116.94 124.85 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 1.13 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 1uwi h PHE 229 CO 0.14 0.28 0.02 1.49 -0.60 0.00 0.00 178.31 179.64 1uwi h GLU 230 N 0.48 0.05 0.00 1.51 4.81 -1.96 -2.14 114.58 117.34 1uwi h GLU 230 Ca 0.14 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1uwi h GLU 230 Cb -0.05 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1uwi h GLU 230 CO -0.04 0.03 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.12 1uwi h LEU 231 N 0.05 0.00 -0.35 1.64 3.38 -1.92 -1.91 115.31 116.19 1uwi h LEU 231 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1uwi h LEU 231 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uwi h LEU 231 CO -0.02 0.09 -0.42 -1.28 0.09 0.00 0.00 178.44 176.91 1uwi h SER 232 N 0.00 0.98 -0.45 -0.43 0.87 -0.72 -0.96 113.55 112.83 1uwi h SER 232 Ca -0.00 -0.48 -0.06 0.00 -1.23 0.00 0.00 61.79 60.02 1uwi h SER 232 Cb 0.45 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1uwi h SER 232 CO 0.01 1.27 0.05 0.03 -0.53 0.00 0.00 176.83 177.66 1uwi h ARG 233 N 0.72 0.77 -0.67 2.24 3.08 -0.78 -1.10 114.38 118.63 1uwi h ARG 233 Ca 0.05 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1uwi h ARG 233 Cb 1.02 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1uwi h ARG 233 CO 0.10 0.80 0.42 -0.09 -1.07 0.00 0.00 179.97 180.13 1uwi h ARG 234 N 0.62 0.90 -0.24 0.04 2.43 -1.24 0.15 114.38 117.04 1uwi h ARG 234 Ca 0.13 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1uwi h ARG 234 Cb 0.42 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1uwi h ARG 234 CO 0.01 0.63 0.14 0.00 -1.51 0.00 0.00 179.97 179.24 1uwi h ALA 235 N 1.23 0.31 -0.42 2.80 0.00 -0.93 -1.20 119.26 121.05 1uwi h ALA 235 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1uwi h ALA 235 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1uwi h ALA 235 CO -0.05 -0.18 -0.00 0.52 0.00 0.00 0.00 179.25 179.54 1uwi h MET 236 N 0.30 0.69 -0.12 0.00 2.86 -0.75 -0.36 114.93 117.55 1uwi h MET 236 Ca 0.09 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1uwi h MET 236 Cb 0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1uwi h MET 236 CO -0.02 0.70 0.05 -0.92 1.06 0.00 0.00 176.91 177.79 1uwi h TYR 237 N 0.65 0.17 -0.53 -0.22 3.20 -0.36 -1.24 116.97 118.64 1uwi h TYR 237 Ca 0.13 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1uwi h TYR 237 Cb 0.41 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1uwi h TYR 237 CO 0.02 0.25 -0.00 -0.91 -1.64 0.00 0.00 178.16 175.87 1uwi h ASN 238 N 0.05 0.88 0.34 -2.11 2.35 -0.98 -2.00 115.58 114.11 1uwi h ASN 238 Ca 0.04 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 1uwi h ASN 238 Cb 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1uwi h ASN 238 CO -0.00 0.94 -0.37 -0.29 -1.65 0.00 0.00 177.43 176.06 1uwi h ILE 239 N 0.84 1.28 -0.30 2.81 2.10 -0.92 0.17 117.51 123.48 1uwi h ILE 239 Ca 0.16 -1.32 -0.08 0.00 1.08 0.00 0.00 64.86 64.69 1uwi h ILE 239 Cb 0.50 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 37.90 1uwi h ILE 239 CO 0.02 0.38 -0.14 0.40 -1.08 0.00 0.00 178.15 177.74 1uwi h ILE 240 N 0.05 1.29 -0.51 2.19 2.04 -0.76 -1.20 117.51 120.62 1uwi h ILE 240 Ca 0.00 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 1uwi h ILE 240 Cb 0.69 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1uwi h ILE 240 CO 0.05 0.39 0.10 1.56 0.00 0.00 0.00 178.15 180.26 1uwi h GLN 241 N 0.38 0.83 -0.63 2.37 4.20 -0.96 -2.39 115.11 118.91 1uwi h GLN 241 Ca 0.07 -0.21 0.08 0.00 0.06 0.00 0.00 58.65 58.65 1uwi h GLN 241 Cb 0.65 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 1uwi h GLN 241 CO 0.04 0.81 0.28 0.00 -0.67 0.00 0.00 178.83 179.29 1uwi h ALA 242 N 0.98 0.83 0.12 3.87 0.00 -0.52 0.68 119.26 125.21 1uwi h ALA 242 Ca 0.16 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1uwi h ALA 242 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 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 0.50 -0.38 -0.48 0.00 -0.00 -0.85 0.16 115.15 114.10 1uwi h HIS 243 Ca 0.31 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.72 1uwi h HIS 243 Cb 0.32 0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 1uwi h HIS 243 CO -0.13 -0.22 0.25 0.00 -0.00 0.00 0.00 177.93 177.82 1uwi h ALA 244 N 0.54 0.60 -0.40 5.26 0.00 -0.91 0.16 119.26 124.52 1uwi h ALA 244 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1uwi h ALA 244 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1uwi h ALA 244 CO -0.06 -0.09 -0.14 0.00 0.00 0.00 0.00 179.25 178.96 1uwi h ARG 245 N 0.49 0.73 -0.19 0.00 -0.00 -0.70 -2.12 114.38 112.59 1uwi h ARG 245 Ca 0.20 -0.25 -0.12 0.00 -0.50 0.00 0.00 59.98 59.31 1uwi h ARG 245 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.00 1uwi h ARG 245 CO -0.13 0.83 -0.41 0.00 0.00 0.00 0.00 179.97 180.26 1uwi h ALA 246 N 1.19 0.94 -0.47 0.04 0.00 -0.08 -0.49 119.26 120.39 1uwi h ALA 246 Ca 0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1uwi h ALA 246 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1uwi h ALA 246 CO 0.04 0.63 0.18 -0.92 0.00 0.00 0.00 179.25 179.18 1uwi h TYR 247 N 0.37 0.72 -0.37 0.00 5.03 -0.38 -1.23 116.97 121.11 1uwi h TYR 247 Ca 0.03 -0.06 -0.15 0.00 2.58 0.00 0.00 58.73 61.14 1uwi h TYR 247 Cb 0.88 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 1uwi h TYR 247 CO 0.03 0.62 -0.35 -0.44 -1.32 0.00 0.00 178.16 176.70 1uwi h ASP 248 N 0.62 0.90 -0.14 -2.11 3.32 -1.19 -1.75 116.42 116.06 1uwi h ASP 248 Ca 0.16 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1uwi h ASP 248 Cb 0.21 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1uwi h ASP 248 CO -0.01 1.15 0.09 1.23 -1.72 0.00 0.00 179.24 179.99 1uwi h GLY 249 N 0.87 0.20 0.94 2.75 0.00 -0.88 -1.97 103.07 104.99 1uwi h GLY 249 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1uwi h GLY 249 CO 0.08 0.08 0.15 -2.22 0.00 0.00 0.00 176.54 174.63 1uwi h ILE 250 N 0.19 1.14 0.00 2.60 2.04 -1.19 -2.24 117.51 120.06 1uwi h ILE 250 Ca 0.05 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1uwi h ILE 250 Cb -0.01 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1uwi h ILE 250 CO -0.01 0.15 0.00 0.11 0.00 0.00 0.00 178.15 178.40 1uwi h LYS 251 N 0.36 0.00 0.00 2.37 1.79 -1.09 0.35 116.57 120.34 1uwi h LYS 251 Ca 0.10 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1uwi h LYS 251 Cb 0.10 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1uwi h LYS 251 CO -0.01 0.00 -0.08 0.77 -1.08 0.00 0.00 179.45 179.05 1uwi h SER 252 N 0.00 0.00 0.00 0.86 0.02 -0.72 -3.30 113.55 110.41 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 0.08 -0.53 0.52 -1.14 0.00 0.00 176.83 175.76 1uwi n VAL 253 N -3.14 0.00 -4.00 2.27 0.31 0.31 -5.07 118.33 109.01 1uwi n VAL 253 Ca 0.03 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 63.97 1uwi n VAL 253 Cb 0.49 0.80 -0.09 0.00 -0.91 0.00 0.00 33.84 34.14 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 -1.77 0.28 0.00 4.52 0.15 0.97 -4.86 113.70 112.99 1uwi s SER 254 Ca 0.01 -0.89 0.10 0.00 0.70 0.00 0.00 55.95 55.86 1uwi s SER 254 Cb 0.03 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1uwi s SER 254 CO 0.18 -0.70 0.58 0.29 1.20 0.00 0.00 173.24 174.80 1uwi n LYS 255 N -0.02 2.53 -1.12 5.44 5.02 -1.26 -4.33 118.16 124.43 1uwi n LYS 255 Ca -0.12 -0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 55.40 1uwi n LYS 255 Cb 0.62 -1.06 0.12 0.00 -0.02 0.00 0.00 35.03 34.69 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 1.70 0.36 1.97 -0.14 -1.26 -4.96 119.74 115.86 1uwi s LYS 256 Ca 0.07 1.60 -0.28 0.00 -1.36 0.00 0.00 55.97 56.00 1uwi s LYS 256 Cb 0.08 -1.80 -0.10 0.00 -1.68 0.00 0.00 37.83 34.33 1uwi s LYS 256 CO 0.31 -2.13 1.33 -2.14 -0.76 0.00 0.00 175.35 171.96 1uwi s PRO 257 N -4.33 4.20 -0.17 -1.68 0.02 -1.26 -4.86 135.00 126.92 1uwi s PRO 257 Ca 0.70 2.26 -0.00 0.00 0.02 0.00 0.00 61.00 63.97 1uwi s PRO 257 Cb -0.25 -2.96 0.04 0.00 0.02 0.00 0.00 34.50 31.35 1uwi s PRO 257 CO 0.52 -0.34 -0.06 0.08 -0.33 0.00 0.00 177.00 176.87 1uwi s VAL 258 N -1.17 1.17 0.00 3.83 1.01 -1.26 -0.66 120.40 123.32 1uwi s VAL 258 Ca 0.52 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1uwi s VAL 258 Cb -0.40 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1uwi s VAL 258 CO 0.53 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1uwi n GLY 259 N 4.86 7.15 3.17 4.51 0.00 -0.23 -1.19 105.19 123.46 1uwi n GLY 259 Ca -0.12 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 0.71 0.10 -0.18 -0.61 2.07 -1.15 -1.64 121.20 120.50 1uwi s ILE 260 Ca 0.00 -0.81 -0.03 0.00 -1.41 0.00 0.00 60.65 58.41 1uwi s ILE 260 Cb 0.00 -0.76 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 1uwi s ILE 260 CO 0.00 -0.44 -0.06 -0.63 -1.91 0.00 0.00 174.94 171.90 1uwi s ILE 261 N -2.13 3.43 0.11 2.00 1.01 -0.83 0.10 121.20 124.89 1uwi s ILE 261 Ca -0.08 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.17 1uwi s ILE 261 Cb -0.03 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1uwi s ILE 261 CO -0.02 0.46 -0.24 -0.47 0.00 0.00 0.00 174.94 174.67 1uwi s TYR 262 N 0.95 2.38 -0.36 3.97 5.04 -0.35 0.51 117.35 129.49 1uwi s TYR 262 Ca -0.01 -0.35 -0.26 0.00 -2.44 0.00 0.00 57.07 54.02 1uwi s TYR 262 Cb -0.15 -1.30 0.01 0.00 0.35 0.00 0.00 41.96 40.88 1uwi s TYR 262 CO 0.00 0.32 0.92 0.00 -1.34 0.00 0.00 175.55 175.45 1uwi s ALA 263 N -1.04 3.41 0.34 3.97 0.00 -1.26 -1.97 121.76 125.21 1uwi s ALA 263 Ca 0.15 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.74 1uwi s ALA 263 Cb -0.10 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1uwi s ALA 263 CO 0.06 -1.58 0.15 -0.80 0.00 0.00 0.00 175.76 173.59 1uwi s ASN 264 N 1.86 4.72 -0.04 0.00 0.01 0.81 -4.96 114.94 117.34 1uwi s ASN 264 Ca 0.38 -0.75 -0.21 0.00 -0.71 0.00 0.00 52.86 51.57 1uwi s ASN 264 Cb -0.12 -0.75 0.04 0.00 0.41 0.00 0.00 41.25 40.83 1uwi s ASN 264 CO 0.18 -0.30 0.45 -0.55 -1.51 0.00 0.00 177.10 175.38 1uwi s SER 265 N -3.85 -0.38 -0.39 -1.22 0.15 -1.26 -4.36 113.70 102.40 1uwi s SER 265 Ca 0.38 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 0.00 173.24 174.06 1uwi s SER 266 N -1.16 6.21 -0.36 5.45 0.15 -1.20 -4.90 113.70 117.88 1uwi s SER 266 Ca -0.12 -0.44 -0.29 0.00 0.70 0.00 0.00 55.95 55.80 1uwi s SER 266 Cb -0.03 -2.22 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1uwi s SER 266 CO 0.06 -0.49 1.14 -0.36 1.20 0.00 0.00 173.24 174.79 1uwi s PHE 267 N 2.14 2.96 -0.03 3.44 0.08 -1.26 -0.88 117.98 124.43 1uwi s PHE 267 Ca 0.13 1.01 0.02 0.00 0.12 0.00 0.00 56.93 58.20 1uwi s PHE 267 Cb -0.17 -3.93 -0.03 0.00 -0.57 0.00 0.00 43.02 38.32 1uwi s PHE 267 CO 0.13 -1.10 -0.05 -0.65 -0.10 0.00 0.00 175.22 173.45 1uwi s GLN 268 N 3.98 2.69 -0.01 0.44 -1.52 -0.24 -4.91 119.66 120.08 1uwi s GLN 268 Ca 0.48 -0.61 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1uwi s GLN 268 Cb -0.12 -2.58 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 1uwi s GLN 268 CO 0.21 0.64 0.98 -1.25 -0.25 0.00 0.00 175.29 175.62 1uwi s PRO 269 N -1.14 4.54 0.21 2.91 0.04 -1.26 -0.96 135.00 139.34 1uwi s PRO 269 Ca 0.15 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 1uwi s PRO 269 Cb -0.11 -3.47 0.16 0.00 0.04 0.00 0.00 34.50 31.12 1uwi s PRO 269 CO 0.05 -0.09 1.88 1.25 0.04 0.00 0.00 177.00 180.13 1uwi h LEU 270 N 6.97 0.89 -8.99 -3.56 5.85 -1.57 -3.44 115.31 111.46 1uwi h LEU 270 Ca -0.40 -0.03 -0.43 0.00 0.84 0.00 0.00 57.88 57.86 1uwi h LEU 270 Cb 1.21 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.88 1uwi h LEU 270 CO 0.76 0.65 -0.67 -0.89 -0.34 0.00 0.00 178.44 177.96 1uwi s THR 271 N -6.11 1.34 -1.39 1.05 2.01 -1.26 -5.01 115.64 106.27 1uwi s THR 271 Ca -0.13 -2.08 0.10 0.00 0.31 0.00 0.00 61.69 59.89 1uwi s THR 271 Cb 0.15 -2.35 0.17 0.00 0.01 0.00 0.00 72.50 70.48 1uwi s THR 271 CO 0.78 -0.35 1.23 -0.90 -0.69 0.00 0.00 174.62 174.70 1uwi n ASP 272 N -0.48 0.00 -1.24 3.53 5.68 -1.26 -1.39 116.55 121.39 1uwi n ASP 272 Ca -0.06 0.17 -0.01 0.00 -0.50 0.00 0.00 54.79 54.40 1uwi n ASP 272 Cb 0.63 -0.31 0.23 0.00 -1.14 0.00 0.00 41.12 40.54 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 -1.31 2.51 -0.06 0.11 2.85 -1.26 -4.34 118.16 116.66 1uwi n LYS 273 Ca 0.05 -3.03 0.06 0.00 -1.05 0.00 0.00 58.31 54.34 1uwi n LYS 273 Cb 0.09 -1.90 0.09 0.00 -0.65 0.00 0.00 35.03 32.65 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 -0.78 2.11 -0.29 -5.58 8.00 -0.48 -4.77 116.55 114.75 1uwi n ASP 274 Ca 0.32 -2.64 0.05 0.00 0.71 0.00 0.00 54.79 53.22 1uwi n ASP 274 Cb 1.07 -0.27 0.26 0.00 -0.02 0.00 0.00 41.12 42.16 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 0.95 0.00 -1.24 2.86 -1.76 -1.42 114.93 114.33 1uwi h MET 275 Ca 0.00 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1uwi h MET 275 Cb 0.85 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1uwi h MET 275 CO 0.00 0.63 -0.47 1.49 1.06 0.00 0.00 176.91 179.61 1uwi h GLU 276 N 0.98 0.00 -0.43 1.72 4.81 -1.95 -2.74 114.58 116.97 1uwi h GLU 276 Ca 0.39 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.52 1uwi h GLU 276 Cb 0.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1uwi h GLU 276 CO -0.15 0.47 -0.13 0.00 -0.73 0.00 0.00 179.01 178.47 1uwi h ALA 277 N 1.53 0.95 0.32 2.92 0.00 -1.61 -2.14 119.26 121.23 1uwi h ALA 277 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1uwi h ALA 277 Cb 0.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1uwi h ALA 277 CO 0.06 0.61 -0.15 0.28 0.00 0.00 0.00 179.25 180.05 1uwi h VAL 278 N 0.72 0.69 -0.76 0.00 2.07 -1.18 -0.85 116.25 116.93 1uwi h VAL 278 Ca 0.12 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1uwi h VAL 278 Cb 0.63 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1uwi h VAL 278 CO 0.04 0.01 0.43 -0.33 0.02 0.00 0.00 177.57 177.75 1uwi h GLU 279 N -0.46 0.74 -0.41 1.57 5.08 -1.44 0.16 114.58 119.82 1uwi h GLU 279 Ca -0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1uwi h GLU 279 Cb 0.35 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1uwi h GLU 279 CO 0.07 0.49 0.25 0.52 -1.00 0.00 0.00 179.01 179.34 1uwi h MET 280 N 0.76 0.56 -0.53 2.33 2.86 -1.16 -0.56 114.93 119.19 1uwi h MET 280 Ca 0.35 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1uwi h MET 280 Cb 0.27 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1uwi h MET 280 CO -0.22 0.41 0.29 0.00 1.06 0.00 0.00 176.91 178.46 1uwi h ALA 281 N 1.11 0.68 -0.52 6.32 0.00 -0.23 -1.18 119.26 125.45 1uwi h ALA 281 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1uwi h ALA 281 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1uwi h ALA 281 CO -0.03 0.20 0.28 0.93 0.00 0.00 0.00 179.25 180.63 1uwi h GLU 282 N 0.71 0.71 -0.18 0.00 5.08 -0.34 -0.15 114.58 120.42 1uwi h GLU 282 Ca 0.19 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1uwi h GLU 282 Cb 0.05 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1uwi h GLU 282 CO -0.03 0.53 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.43 1uwi h ASN 283 N 0.72 0.45 1.07 1.42 2.35 -0.53 0.54 115.58 121.61 1uwi h ASN 283 Ca 0.18 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.42 1uwi h ASN 283 Cb 0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1uwi h ASN 283 CO -0.03 0.83 -0.20 0.44 -1.65 0.00 0.00 177.43 176.83 1uwi h ASP 284 N 0.08 0.00 0.00 5.81 3.32 -0.91 -2.08 116.42 122.64 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 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1uwi h ASP 284 CO 0.04 0.20 -1.45 0.59 -1.72 0.00 0.00 179.24 176.90 1uwi n ASN 285 N -3.31 2.42 0.00 6.45 3.02 -0.09 -4.89 115.26 118.86 1uwi n ASN 285 Ca 0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1uwi n ASN 285 Cb 0.45 1.47 0.00 0.00 -0.61 0.00 0.00 39.78 41.09 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 -1.85 0.00 -0.26 3.52 0.63 0.08 -4.89 116.66 113.90 1uwi n ARG 286 Ca -0.02 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.98 1uwi n ARG 286 Cb 0.28 0.00 0.20 0.00 0.45 0.00 0.00 32.46 33.38 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 0.37 -0.65 -0.14 -0.00 -1.38 -2.21 115.95 111.94 1uwi h TRP 287 Ca 0.00 0.04 0.09 0.00 -0.00 0.00 0.00 58.89 59.02 1uwi h TRP 287 Cb 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 29.05 1uwi h TRP 287 CO 0.00 -0.05 0.30 0.11 -0.00 0.00 0.00 178.44 178.80 1uwi h TRP 288 N 0.32 0.53 -0.07 0.49 5.08 -1.61 0.32 115.95 121.00 1uwi h TRP 288 Ca 0.43 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.42 1uwi h TRP 288 Cb 0.73 -0.14 -0.00 0.00 -3.00 0.00 0.00 29.16 26.75 1uwi h TRP 288 CO -0.23 0.18 -0.01 0.35 -1.28 0.00 0.00 178.44 177.45 1uwi h PHE 289 N 0.52 0.15 0.00 0.12 3.04 -1.68 -2.93 116.94 116.17 1uwi h PHE 289 Ca 0.32 -0.03 -0.14 0.00 3.98 0.00 0.00 57.97 62.10 1uwi h PHE 289 Cb 0.35 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 1uwi h PHE 289 CO -0.13 0.43 -0.67 0.74 -2.02 0.00 0.00 178.31 176.66 1uwi h PHE 290 N -0.17 0.00 0.00 0.41 -1.00 -1.16 -2.48 116.94 112.53 1uwi h PHE 290 Ca 0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1uwi h PHE 290 Cb 0.38 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 1uwi h PHE 290 CO 0.04 0.67 -0.14 -0.44 -1.61 0.00 0.00 178.31 176.83 1uwi h ASP 291 N 0.00 0.00 0.13 2.17 3.32 -0.40 -0.13 116.42 121.50 1uwi h ASP 291 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1uwi h ASP 291 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1uwi h ASP 291 CO 0.09 0.14 -0.06 0.00 -1.72 0.00 0.00 179.24 177.69 1uwi h ALA 292 N 1.86 -0.17 -0.00 3.45 0.00 -1.25 0.11 119.26 123.26 1uwi h ALA 292 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1uwi h ALA 292 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uwi h ALA 292 CO 0.02 -0.30 -0.11 0.44 0.00 0.00 0.00 179.25 179.31 1uwi n ILE 293 N -4.91 0.00 -0.04 0.00 -5.35 -1.12 -1.24 119.36 106.70 1uwi n ILE 293 Ca -0.08 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.30 1uwi n ILE 293 Cb 0.27 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 37.82 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 -1.43 1.15 0.78 7.28 5.41 -0.08 -1.59 119.36 130.89 1uwi n ILE 294 Ca 0.08 0.08 0.13 0.00 1.00 0.00 0.00 62.75 64.04 1uwi n ILE 294 Cb 0.32 -1.88 0.34 0.00 -0.71 0.00 0.00 39.64 37.71 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 -3.87 0.15 -0.91 0.38 5.12 0.19 -0.61 116.66 117.12 1uwi n ARG 295 Ca -0.16 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1uwi n ARG 295 Cb 0.45 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 1.41 0.60 3.63 -0.13 0.00 -0.13 -4.74 105.19 105.83 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 -0.37 4.05 0.20 1.61 2.02 -0.83 -1.07 118.70 124.31 1uwi s GLU 297 Ca 0.00 0.92 -0.02 0.00 0.02 0.00 0.00 54.97 55.88 1uwi s GLU 297 Cb 0.00 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 1uwi s GLU 297 CO 0.00 -0.77 0.17 -1.50 0.02 0.00 0.00 175.26 173.18 1uwi s ILE 298 N 3.31 0.01 -0.21 -1.63 2.07 -0.96 -2.77 121.20 121.01 1uwi s ILE 298 Ca 0.40 -1.92 -0.02 0.00 -1.41 0.00 0.00 60.65 57.70 1uwi s ILE 298 Cb -0.13 -2.43 0.06 0.00 0.13 0.00 0.00 42.46 40.09 1uwi s ILE 298 CO 0.13 -0.03 0.03 0.28 -1.91 0.00 0.00 174.94 173.43 1uwi s THR 299 N -4.13 0.75 -0.11 4.00 -1.32 -1.26 -1.26 115.64 112.29 1uwi s THR 299 Ca 0.36 -0.77 -0.02 0.00 -1.21 0.00 0.00 61.69 60.04 1uwi s THR 299 Cb 0.06 -1.24 -0.03 0.00 -1.51 0.00 0.00 72.50 69.78 1uwi s THR 299 CO 0.11 -0.24 -0.02 0.00 -2.21 0.00 0.00 174.62 172.26 1uwi s ARG 300 N 1.75 3.25 6.83 7.08 1.04 -1.17 -4.88 118.95 132.86 1uwi s ARG 300 Ca -0.01 -0.46 0.00 0.00 -1.04 0.00 0.00 55.73 54.22 1uwi s ARG 300 Cb -0.17 -2.83 0.00 0.00 -2.04 0.00 0.00 34.95 29.90 1uwi s ARG 300 CO -0.10 0.51 0.00 0.41 -0.04 0.00 0.00 175.30 176.09 1uwi n GLY 301 N 2.72 2.19 1.95 3.88 0.00 -1.26 -2.80 105.19 111.88 1uwi n GLY 301 Ca -0.18 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 10.06 1.02 -4.26 1.61 4.13 -1.26 -5.08 115.26 121.48 1uwi n ASN 302 Ca 0.00 -2.01 -0.27 0.00 1.68 0.00 0.00 54.58 53.98 1uwi n ASN 302 Cb 0.00 -0.30 -0.14 0.00 -1.54 0.00 0.00 39.78 37.79 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 -1.25 1.52 -0.90 3.52 8.01 -1.12 -5.09 118.70 123.39 1uwi s GLU 303 Ca 0.29 -0.94 -0.17 0.00 0.01 0.00 0.00 54.97 54.16 1uwi s GLU 303 Cb 0.35 -1.62 0.17 0.00 -4.31 0.00 0.00 34.13 28.72 1uwi s GLU 303 CO -0.12 0.42 0.99 0.21 0.01 0.00 0.00 175.26 176.78 1uwi s LYS 304 N -1.08 3.61 0.81 1.61 2.47 -1.26 -3.07 119.74 122.83 1uwi s LYS 304 Ca 0.08 -2.05 -0.05 0.00 -1.56 0.00 0.00 55.97 52.40 1uwi s LYS 304 Cb -0.09 -4.73 0.16 0.00 -1.46 0.00 0.00 37.83 31.71 1uwi s LYS 304 CO 0.01 -1.59 1.11 0.42 0.16 0.00 0.00 175.35 175.46 1uwi s ILE 305 N 1.68 2.03 -0.29 5.43 -1.09 -0.39 -4.94 121.20 123.63 1uwi s ILE 305 Ca 0.27 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1uwi s ILE 305 Cb -0.07 -2.58 0.12 0.00 -1.58 0.00 0.00 42.46 38.35 1uwi s ILE 305 CO -0.09 0.00 0.23 -0.69 -1.23 0.00 0.00 174.94 173.16 1uwi s VAL 306 N -3.38 -0.27 -0.24 2.92 1.01 -1.26 -2.26 120.40 116.92 1uwi s VAL 306 Ca 0.70 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1uwi s VAL 306 Cb -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1uwi s VAL 306 CO 0.47 -0.57 0.63 -0.13 0.00 0.00 0.00 175.10 175.50 1uwi s ARG 307 N 2.25 4.14 0.50 2.72 0.52 -0.23 -4.94 118.95 123.91 1uwi s ARG 307 Ca 0.09 0.56 0.26 0.00 -0.52 0.00 0.00 55.73 56.13 1uwi s ARG 307 Cb -0.15 -3.63 1.30 0.00 0.52 0.00 0.00 34.95 33.00 1uwi s ARG 307 CO -0.34 -0.36 2.00 -0.44 0.02 0.00 0.00 175.30 176.18 1uwi h ASP 308 N 7.77 0.00 0.64 0.23 3.32 -1.96 -1.74 116.42 124.69 1uwi h ASP 308 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 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 0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.55 1uwi n ASP 309 N -3.59 0.00 -0.05 6.45 5.75 -1.26 -3.11 116.55 120.74 1uwi n ASP 309 Ca -0.01 0.33 -0.04 0.00 -0.01 0.00 0.00 54.79 55.06 1uwi n ASP 309 Cb 0.29 -0.43 -0.11 0.00 -1.03 0.00 0.00 41.12 39.84 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 -1.43 0.00 -4.71 -2.12 4.77 -0.70 -4.85 117.00 107.96 1uwi n LEU 310 Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 1uwi n LEU 310 Cb 0.23 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1uwi n LEU 310 CO 0.19 0.26 1.09 1.17 -1.33 0.00 0.00 177.39 178.77 1uwi n LYS 311 N -2.39 2.34 -1.71 3.23 4.81 -0.95 -3.14 118.16 120.35 1uwi n LYS 311 Ca -0.18 0.83 -0.17 0.00 -0.87 0.00 0.00 58.31 57.93 1uwi n LYS 311 Cb 0.81 -2.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.29 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 1.79 1.14 2.50 3.14 0.00 0.22 -4.92 105.19 109.06 1uwi n GLY 312 Ca 0.08 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.54 4.31 -3.64 1.61 3.00 -0.62 -4.87 116.66 113.91 1uwi n ARG 313 Ca -0.18 -3.40 -0.04 0.00 -0.01 0.00 0.00 57.85 54.22 1uwi n ARG 313 Cb 0.58 -2.53 -0.07 0.00 0.00 0.00 0.00 32.46 30.44 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 -2.38 -0.62 -0.10 0.55 2.96 -1.26 -4.87 118.68 112.96 1uwi s LEU 314 Ca 0.53 1.01 0.13 0.00 -0.22 0.00 0.00 54.13 55.58 1uwi s LEU 314 Cb 0.22 1.94 -0.18 0.00 0.50 0.00 0.00 46.19 48.66 1uwi s LEU 314 CO -0.12 -0.16 0.13 0.47 -1.32 0.00 0.00 176.35 175.34 1uwi n ASP 315 N 3.71 1.68 -3.60 3.68 8.00 -0.33 -5.03 116.55 124.67 1uwi n ASP 315 Ca -0.18 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 1uwi n ASP 315 Cb 0.58 1.08 -0.04 0.00 -0.02 0.00 0.00 41.12 42.73 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 -2.53 -0.29 -0.14 1.24 1.48 -1.26 -4.45 118.94 113.00 1uwi s TRP 316 Ca -0.06 -0.01 0.01 0.00 -1.06 0.00 0.00 56.10 54.98 1uwi s TRP 316 Cb 0.06 0.39 -0.01 0.00 -1.16 0.00 0.00 33.47 32.75 1uwi s TRP 316 CO 0.57 -0.81 -0.15 0.42 -4.06 0.00 0.00 176.95 172.92 1uwi s ILE 317 N -3.81 2.73 -0.31 0.66 1.01 -0.85 -2.95 121.20 117.69 1uwi s ILE 317 Ca 0.04 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1uwi s ILE 317 Cb 0.00 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1uwi s ILE 317 CO -0.10 0.52 0.46 -0.83 0.00 0.00 0.00 174.94 174.99 1uwi s GLY 318 N 0.62 1.85 -0.28 6.18 0.00 0.12 -2.15 107.32 113.66 1uwi s GLY 318 Ca -0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 44.72 43.61 1uwi s GLY 318 CO 0.03 1.16 0.32 0.14 0.00 0.00 0.00 173.10 174.75 1uwi s VAL 319 N 2.25 5.21 -0.34 1.40 1.01 0.43 -1.21 120.40 129.15 1uwi s VAL 319 Ca 0.18 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 1uwi s VAL 319 Cb -0.16 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1uwi s VAL 319 CO 0.11 0.17 0.12 0.20 0.00 0.00 0.00 175.10 175.70 1uwi s ASN 320 N 1.68 5.36 -0.04 3.32 -0.87 -0.83 -0.92 114.94 122.64 1uwi s ASN 320 Ca 0.13 -1.09 0.04 0.00 -1.57 0.00 0.00 52.86 50.37 1uwi s ASN 320 Cb -0.16 -1.89 -0.00 0.00 -0.02 0.00 0.00 41.25 39.18 1uwi s ASN 320 CO 0.10 -0.32 -0.16 -0.47 -2.57 0.00 0.00 177.10 173.68 1uwi s TYR 321 N 1.43 1.60 0.00 2.20 5.04 -0.30 -0.13 117.35 127.19 1uwi s TYR 321 Ca -0.01 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 1uwi s TYR 321 Cb -0.19 -1.08 0.00 0.00 0.35 0.00 0.00 41.96 41.03 1uwi s TYR 321 CO 0.03 -0.16 0.00 0.66 -1.34 0.00 0.00 175.55 174.75 1uwi n TYR 322 N 3.17 0.00 -3.84 4.97 4.01 -1.26 -4.16 117.16 120.05 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 0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.62 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 -2.19 0.00 -2.15 -0.72 5.66 -1.26 -4.70 114.28 108.91 1uwi n THR 323 Ca 0.00 -0.78 -0.18 0.00 -3.05 0.00 0.00 64.05 60.04 1uwi n THR 323 Cb 0.28 0.88 0.11 0.00 -1.55 0.00 0.00 70.33 70.05 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 -0.62 -0.31 -3.43 1.09 1.85 -1.26 -3.24 116.66 110.73 1uwi n ARG 324 Ca -0.06 -1.73 -0.13 0.00 -1.00 0.00 0.00 57.85 54.94 1uwi n ARG 324 Cb 0.58 -0.67 -0.10 0.00 -1.05 0.00 0.00 32.46 31.22 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 -2.49 -0.49 -0.00 8.89 2.01 -0.06 -3.83 115.64 119.66 1uwi s THR 325 Ca 0.49 -0.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 1uwi s THR 325 Cb -0.02 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 1uwi s THR 325 CO 0.34 -0.13 0.70 -0.69 -0.69 0.00 0.00 174.62 174.14 1uwi s VAL 326 N 2.46 4.87 0.17 3.82 1.01 -1.26 -1.08 120.40 130.40 1uwi s VAL 326 Ca 0.09 1.46 0.07 0.00 0.00 0.00 0.00 61.98 63.60 1uwi s VAL 326 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1uwi s VAL 326 CO -0.14 0.35 -0.14 0.68 0.00 0.00 0.00 175.10 175.85 1uwi s VAL 327 N 0.15 1.53 0.02 2.92 -7.23 -0.14 -0.75 120.40 116.90 1uwi s VAL 327 Ca 0.36 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1uwi s VAL 327 Cb -0.19 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 1uwi s VAL 327 CO 0.20 -0.55 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.76 1uwi s LYS 328 N -3.32 0.66 0.05 4.82 -2.85 -0.46 -1.45 119.74 117.19 1uwi s LYS 328 Ca 0.17 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.33 1uwi s LYS 328 Cb -0.02 -0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 35.11 1uwi s LYS 328 CO 0.05 0.15 1.15 -0.98 0.10 0.00 0.00 175.35 175.81 1uwi s ARG 329 N -0.76 4.47 -0.11 1.78 1.70 -1.26 -1.01 118.95 123.75 1uwi s ARG 329 Ca -0.01 1.70 -0.02 0.00 -0.47 0.00 0.00 55.73 56.93 1uwi s ARG 329 Cb -0.06 -3.37 0.04 0.00 -0.57 0.00 0.00 34.95 30.99 1uwi s ARG 329 CO 0.00 -0.20 0.03 0.95 -1.08 0.00 0.00 175.30 175.00 1uwi s THR 330 N 0.98 0.29 0.00 4.99 -4.23 -0.77 -4.91 115.64 112.00 1uwi s THR 330 Ca 0.57 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1uwi s THR 330 Cb -0.28 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 72.96 1uwi s THR 330 CO 0.29 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1uwi n GLY 331 N 5.16 3.43 0.03 3.99 0.00 -1.26 -1.49 105.19 115.06 1uwi n GLY 331 Ca -0.07 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1uwi n GLY 331 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uwi n LYS 332 N 13.60 0.27 0.00 1.61 4.76 -1.26 -4.95 118.16 132.19 1uwi n LYS 332 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1uwi n LYS 332 Cb 0.00 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 1uwi n LYS 332 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uwi n GLY 333 N 1.37 2.46 3.78 0.72 0.00 -0.55 -5.13 105.19 107.84 1uwi n GLY 333 Ca 0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 4.21 0.09 -0.05 1.61 -0.85 -1.25 -1.84 117.35 119.26 1uwi s TYR 334 Ca 0.00 -0.59 -0.06 0.00 -0.52 0.00 0.00 57.07 55.90 1uwi s TYR 334 Cb 0.00 0.62 0.01 0.00 0.38 0.00 0.00 41.96 42.97 1uwi s TYR 334 CO 0.00 -1.31 0.16 0.08 -1.52 0.00 0.00 175.55 172.96 1uwi s VAL 335 N -3.33 0.01 0.40 -3.49 1.01 -0.18 -4.76 120.40 110.07 1uwi s VAL 335 Ca 0.16 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 1uwi s VAL 335 Cb -0.05 -0.26 -0.11 0.00 0.00 0.00 0.00 36.38 35.97 1uwi s VAL 335 CO 0.10 -0.04 0.92 -0.44 0.00 0.00 0.00 175.10 175.64 1uwi s SER 336 N -0.07 6.98 -0.11 3.32 0.01 -1.26 -1.36 113.70 121.21 1uwi s SER 336 Ca -0.02 1.66 -0.01 0.00 1.31 0.00 0.00 55.95 58.90 1uwi s SER 336 Cb -0.02 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1uwi s SER 336 CO 0.00 -0.29 -0.09 -0.76 0.41 0.00 0.00 173.24 172.52 1uwi s LEU 337 N -2.96 3.00 0.77 2.44 1.43 0.07 -4.94 118.68 118.49 1uwi s LEU 337 Ca 0.59 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1uwi s LEU 337 Cb -0.11 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.49 1uwi s LEU 337 CO 0.15 0.24 1.08 -0.83 0.23 0.00 0.00 176.35 177.23 1uwi s GLY 338 N -0.08 1.66 0.00 -3.19 0.00 -1.26 -3.66 107.32 100.78 1uwi s GLY 338 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1uwi s GLY 338 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1uwi n GLY 339 N -1.51 0.69 3.16 0.20 0.00 0.18 -4.95 105.19 102.96 1uwi n GLY 339 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.32 0.48 0.00 1.61 2.02 -1.24 -0.90 117.35 117.00 1uwi s TYR 340 Ca 0.00 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 1uwi s TYR 340 Cb 0.00 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 1uwi s TYR 340 CO 0.00 -0.50 0.00 0.41 -1.57 0.00 0.00 175.55 173.89 1uwi n GLY 341 N -0.02 2.98 0.16 0.71 0.00 -1.26 -1.02 105.19 106.75 1uwi n GLY 341 Ca -0.12 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.87 1.61 3.86 -1.82 -0.05 115.15 116.88 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 0.72 5.43 3.82 2.45 0.00 -0.19 -4.63 105.19 112.78 1uwi n GLY 343 Ca 0.04 -2.41 -0.25 0.00 0.00 0.00 0.00 46.02 43.39 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 -4.06 3.99 0.31 0.00 0.41 -1.26 -4.58 118.70 113.50 1uwi s GLU 345 Ca 0.38 1.35 -0.28 0.00 -0.41 0.00 0.00 54.97 56.00 1uwi s GLU 345 Cb 0.01 -2.23 -0.09 0.00 -1.78 0.00 0.00 34.13 30.03 1uwi s GLU 345 CO 0.22 -0.27 1.08 1.03 -0.49 0.00 0.00 175.26 176.83 1uwi s ARG 346 N -3.03 4.54 -1.11 1.61 0.52 -1.26 -3.83 118.95 116.38 1uwi s ARG 346 Ca 0.64 1.72 -0.24 0.00 -0.52 0.00 0.00 55.73 57.33 1uwi s ARG 346 Cb -0.16 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.29 1uwi s ARG 346 CO 0.20 0.14 0.71 0.09 0.02 0.00 0.00 175.30 176.47 1uwi n ASN 347 N 0.91 -4.82 0.00 0.23 4.13 -0.40 -4.91 115.26 110.40 1uwi n ASN 347 Ca 0.00 -1.11 0.00 0.00 1.68 0.00 0.00 54.58 55.15 1uwi n ASN 347 Cb 0.46 -2.41 0.00 0.00 -1.54 0.00 0.00 39.78 36.29 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 -2.39 1.53 -3.97 6.41 2.88 -1.25 -4.53 113.62 112.31 1uwi n SER 348 Ca -0.13 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.32 1uwi n SER 348 Cb 0.59 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.61 0.11 0.90 2.46 1.01 -1.26 -1.32 120.40 122.90 1uwi s VAL 349 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1uwi s VAL 349 Cb 0.00 -0.26 0.18 0.00 0.00 0.00 0.00 36.38 36.29 1uwi s VAL 349 CO 0.00 -0.48 1.24 -0.94 0.00 0.00 0.00 175.10 174.92 1uwi s SER 350 N -1.41 3.47 0.40 3.32 1.04 0.06 -4.71 113.70 115.87 1uwi s SER 350 Ca -0.15 0.16 0.28 0.00 0.48 0.00 0.00 55.95 56.71 1uwi s SER 350 Cb -0.10 -0.30 1.40 0.00 0.10 0.00 0.00 66.02 67.12 1uwi s SER 350 CO -0.01 -2.49 1.85 -0.07 0.98 0.00 0.00 173.24 173.51 1uwi h LEU 351 N -1.36 0.00 -0.98 2.42 3.38 -1.37 0.25 115.31 117.65 1uwi h LEU 351 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1uwi h LEU 351 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1uwi h LEU 351 CO 0.40 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.70 1uwi n ALA 352 N -1.87 3.02 -0.64 1.53 0.00 -1.26 -4.95 120.51 116.34 1uwi n ALA 352 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1uwi n ALA 352 Cb 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.33 0.66 3.84 0.00 0.00 0.08 -5.06 105.19 106.04 1uwi n GLY 353 Ca 0.13 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 4.45 0.50 0.99 1.43 -1.26 -4.77 118.68 120.02 1uwi s LEU 354 Ca 0.00 0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 53.71 1uwi s LEU 354 Cb 0.00 -2.47 -0.07 0.00 0.03 0.00 0.00 46.19 43.68 1uwi s LEU 354 CO 0.00 0.33 1.41 -0.81 0.23 0.00 0.00 176.35 177.51 1uwi n PRO 355 N 1.92 2.01 -4.25 1.29 -0.04 -1.26 -0.76 135.00 133.91 1uwi n PRO 355 Ca -0.15 0.73 -0.29 0.00 -0.04 0.00 0.00 63.50 63.75 1uwi n PRO 355 Cb 0.53 -2.62 -0.10 0.00 -0.04 0.00 0.00 33.50 31.27 1uwi n PRO 355 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1uwi s THR 356 N -1.23 3.26 0.66 0.52 -4.23 -0.43 -1.66 115.64 112.52 1uwi s THR 356 Ca 0.66 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 1uwi s THR 356 Cb -0.43 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.01 1uwi s THR 356 CO 0.54 0.03 0.86 -1.54 -0.54 0.00 0.00 174.62 173.97 1uwi n SER 357 N 0.47 -0.10 0.23 3.99 3.41 -0.38 -3.82 113.62 117.43 1uwi n SER 357 Ca -0.13 -1.28 0.16 0.00 -0.26 0.00 0.00 58.87 57.36 1uwi n SER 357 Cb 0.53 -0.67 0.75 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.24 0.00 0.09 4.04 3.32 -1.52 -0.31 116.42 120.80 1uwi h ASP 358 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1uwi h ASP 358 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1uwi h ASP 358 CO 0.20 0.00 -0.53 0.33 -1.72 0.00 0.00 179.24 177.52 1uwi n PHE 359 N -2.65 0.00 -1.27 4.55 -0.00 -1.26 -4.65 117.46 112.18 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 0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 39.48 39.58 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 1.42 0.62 3.74 7.13 0.00 -0.26 -4.81 105.19 113.03 1uwi n GLY 360 Ca 0.09 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 3.39 0.29 1.61 0.51 -1.26 -1.85 118.94 119.63 1uwi s TRP 361 Ca 0.00 0.29 -0.29 0.00 -2.12 0.00 0.00 56.10 53.98 1uwi s TRP 361 Cb 0.00 -2.04 -0.09 0.00 -0.81 0.00 0.00 33.47 30.52 1uwi s TRP 361 CO 0.00 0.38 1.07 -2.00 -0.51 0.00 0.00 176.95 175.90 1uwi s GLU 362 N -0.12 4.62 -0.36 4.98 2.12 -0.03 -1.24 118.70 128.66 1uwi s GLU 362 Ca 0.09 1.73 -0.29 0.00 0.36 0.00 0.00 54.97 56.86 1uwi s GLU 362 Cb -0.12 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.15 1uwi s GLU 362 CO 0.01 0.21 1.37 0.12 -0.54 0.00 0.00 175.26 176.43 1uwi s PHE 363 N -1.22 2.51 -0.46 5.30 2.19 -0.66 -4.63 117.98 121.01 1uwi s PHE 363 Ca 0.45 0.75 0.06 0.00 0.33 0.00 0.00 56.93 58.52 1uwi s PHE 363 Cb -0.30 -4.14 0.20 0.00 -1.31 0.00 0.00 43.02 37.47 1uwi s PHE 363 CO 0.38 -1.89 0.60 0.34 1.83 0.00 0.00 175.22 176.48 1uwi n PHE 364 N 8.31 -2.31 -0.16 10.12 7.35 -1.26 -4.84 117.46 134.67 1uwi n PHE 364 Ca 0.16 -2.38 -0.03 0.00 -0.76 0.00 0.00 57.45 54.43 1uwi n PHE 364 Cb 0.47 0.83 0.06 0.00 0.35 0.00 0.00 39.48 41.20 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 4.90 0.35 -1.12 -7.13 0.11 -1.92 -2.84 132.00 124.35 1uwi h PRO 365 Ca 0.10 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.50 1uwi h PRO 365 Cb 1.00 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.95 1uwi h PRO 365 CO 0.25 0.23 0.75 0.93 -0.21 0.00 0.00 178.00 179.95 1uwi h GLU 366 N 0.36 0.21 -0.61 1.05 3.07 -1.96 0.29 114.58 117.00 1uwi h GLU 366 Ca 0.24 -0.01 0.16 0.00 -0.50 0.00 0.00 59.36 59.24 1uwi h GLU 366 Cb 0.25 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1uwi h GLU 366 CO -0.24 0.14 0.43 0.78 -1.40 0.00 0.00 179.01 178.73 1uwi h GLY 367 N 0.22 0.17 1.39 -3.84 0.00 -1.90 -0.60 103.07 98.51 1uwi h GLY 367 Ca 0.61 -0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.76 1uwi h GLY 367 CO -0.20 0.01 -0.35 -2.00 0.00 0.00 0.00 176.54 174.01 1uwi h LEU 368 N 0.10 0.72 -0.41 3.11 5.85 -1.13 -1.67 115.31 121.88 1uwi h LEU 368 Ca 0.29 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1uwi h LEU 368 Cb 1.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1uwi h LEU 368 CO -0.03 1.00 0.06 0.22 -0.34 0.00 0.00 178.44 179.35 1uwi h TYR 369 N 0.57 0.73 -0.00 1.25 3.20 -1.24 -1.88 116.97 119.60 1uwi h TYR 369 Ca 0.06 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.85 1uwi h TYR 369 Cb 0.86 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1uwi h TYR 369 CO 0.04 0.71 -0.15 0.22 -1.64 0.00 0.00 178.16 177.34 1uwi h ASP 370 N 0.53 -0.44 -0.26 -2.11 3.58 -1.18 -1.27 116.42 115.27 1uwi h ASP 370 Ca 0.12 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1uwi h ASP 370 Cb 0.38 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1uwi h ASP 370 CO 0.01 -0.21 0.10 0.58 -2.88 0.00 0.00 179.24 176.84 1uwi h VAL 371 N -0.25 1.17 0.19 2.25 2.07 -1.24 -0.20 116.25 120.23 1uwi h VAL 371 Ca 0.05 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1uwi h VAL 371 Cb 0.31 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1uwi h VAL 371 CO -0.15 0.18 -0.15 -0.07 0.02 0.00 0.00 177.57 177.40 1uwi h LEU 372 N 0.27 -0.39 -1.02 2.57 3.38 -1.24 -1.35 115.31 117.53 1uwi h LEU 372 Ca 0.09 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1uwi h LEU 372 Cb 0.18 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1uwi h LEU 372 CO -0.01 -0.23 0.06 0.71 0.09 0.00 0.00 178.44 179.05 1uwi h THR 373 N -0.35 1.23 -0.00 0.22 1.35 -1.20 -1.50 112.91 112.66 1uwi h THR 373 Ca -0.01 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1uwi h THR 373 Cb 0.31 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 1uwi h THR 373 CO -0.01 0.32 -0.02 0.11 -0.25 0.00 0.00 175.52 175.66 1uwi h LYS 374 N 0.72 -0.04 -0.65 4.72 1.79 -0.78 -0.83 116.57 121.50 1uwi h LYS 374 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1uwi h LYS 374 Cb 0.36 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 1uwi h LYS 374 CO 0.01 -0.03 0.42 1.88 -1.08 0.00 0.00 179.45 180.66 1uwi h TYR 375 N -0.04 0.82 0.20 -1.35 0.05 -1.02 -2.84 116.97 112.79 1uwi h TYR 375 Ca 0.01 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1uwi h TYR 375 Cb 0.05 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.52 1uwi h TYR 375 CO -0.10 0.53 -0.10 2.35 -1.05 0.00 0.00 178.16 179.79 1uwi h TRP 376 N 0.88 -0.25 0.00 4.88 2.91 -0.97 -2.06 115.95 121.34 1uwi h TRP 376 Ca 0.24 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.25 1uwi h TRP 376 Cb -0.09 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 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 -0.33 0.00 0.03 2.65 2.35 -1.11 0.15 115.58 119.31 1uwi h ASN 377 Ca -0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.39 1uwi h ASN 377 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1uwi h ASN 377 CO 0.04 0.00 -1.86 -1.14 -1.65 0.00 0.00 177.43 172.82 1uwi n ARG 378 N -2.89 0.62 -0.00 0.81 0.63 -1.08 -4.74 116.66 110.01 1uwi n ARG 378 Ca -0.01 0.39 0.04 0.00 -0.92 0.00 0.00 57.85 57.35 1uwi n ARG 378 Cb 0.16 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 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 -4.07 0.00 -3.18 -0.14 4.01 -0.79 -5.02 117.16 107.96 1uwi n TYR 379 Ca -0.39 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.12 1uwi n TYR 379 Cb 0.84 -0.16 0.02 0.00 -0.31 0.00 0.00 39.34 39.74 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 -1.69 -1.93 -3.95 -0.72 8.25 0.52 -4.98 115.22 110.71 1uwi n HIS 380 Ca -0.01 0.52 -0.36 0.00 -0.26 0.00 0.00 57.72 57.61 1uwi n HIS 380 Cb 0.20 -3.90 -0.07 0.00 1.12 0.00 0.00 29.99 27.34 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 -6.64 4.17 0.79 2.41 1.43 -1.26 -5.07 118.68 114.51 1uwi s LEU 381 Ca 0.35 0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1uwi s LEU 381 Cb -0.17 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1uwi s LEU 381 CO 0.44 0.34 1.12 -0.72 0.23 0.00 0.00 176.35 177.76 1uwi s TYR 382 N -0.63 2.27 0.21 0.29 -0.85 -1.26 -4.71 117.35 112.68 1uwi s TYR 382 Ca 0.12 1.62 -0.08 0.00 -0.52 0.00 0.00 57.07 58.22 1uwi s TYR 382 Cb -0.12 -3.19 -0.02 0.00 0.38 0.00 0.00 41.96 39.01 1uwi s TYR 382 CO 0.02 -2.14 0.32 0.00 -1.52 0.00 0.00 175.55 172.23 1uwi s MET 383 N -4.59 1.35 0.03 -3.49 0.23 0.35 -2.00 119.30 111.17 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 -0.21 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 33.45 1uwi s MET 383 CO 0.53 -0.51 -0.20 0.71 -2.03 0.00 0.00 175.02 173.52 1uwi s TYR 384 N -4.06 1.77 -0.87 3.16 2.02 -0.91 -0.70 117.35 117.76 1uwi s TYR 384 Ca 0.27 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.40 1uwi s TYR 384 Cb 0.03 -1.08 0.09 0.00 -0.40 0.00 0.00 41.96 40.60 1uwi s TYR 384 CO 0.08 0.06 1.16 0.08 -1.57 0.00 0.00 175.55 175.36 1uwi s VAL 385 N -0.72 4.40 -0.80 0.71 1.01 -0.54 -0.43 120.40 124.04 1uwi s VAL 385 Ca 0.07 -0.98 0.24 0.00 0.00 0.00 0.00 61.98 61.31 1uwi s VAL 385 Cb -0.08 -4.82 0.23 0.00 0.00 0.00 0.00 36.38 31.71 1uwi s VAL 385 CO 0.01 -1.60 1.74 0.35 0.00 0.00 0.00 175.10 175.59 1uwi n THR 386 N 5.95 0.58 -3.64 3.92 -2.24 -0.10 -0.27 114.28 118.47 1uwi n THR 386 Ca 0.17 0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.89 1uwi n THR 386 Cb 0.49 -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 0.71 -0.29 -0.78 2.02 -1.06 -4.55 118.70 111.64 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 0.18 0.13 0.00 0.10 0.00 0.00 34.13 34.67 1uwi s GLU 387 CO 0.46 -0.14 0.89 1.21 0.02 0.00 0.00 175.26 177.70 1uwi s ASN 388 N 1.39 -0.67 0.00 -0.19 2.47 -1.23 -1.15 114.94 115.56 1uwi s ASN 388 Ca -0.08 1.02 0.00 0.00 0.42 0.00 0.00 52.86 54.22 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 -0.16 -0.16 0.00 0.61 -3.72 0.00 0.00 177.10 173.68 1uwi n GLY 389 N 4.21 0.65 3.54 1.21 0.00 -1.26 0.61 105.19 114.15 1uwi n GLY 389 Ca -0.17 -0.76 -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 -0.56 -0.61 2.07 -1.26 -4.92 121.20 113.83 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 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.73 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 0.38 2.91 -0.44 1.50 0.00 -1.26 -4.24 121.76 120.61 1uwi s ALA 391 Ca -0.00 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1uwi s ALA 391 Cb -0.04 -4.06 0.18 0.00 0.00 0.00 0.00 23.12 19.19 1uwi s ALA 391 CO 0.00 -2.78 0.58 0.34 0.00 0.00 0.00 175.76 173.91 1uwi s ASP 392 N 3.70 -0.67 0.22 0.00 2.15 -0.62 -1.20 116.67 120.26 1uwi s ASP 392 Ca 0.48 -1.49 -0.08 0.00 0.43 0.00 0.00 52.55 51.89 1uwi s ASP 392 Cb -0.09 1.42 0.19 0.00 -0.30 0.00 0.00 42.92 44.14 1uwi s ASP 392 CO 0.26 -0.15 1.85 -0.78 -0.17 0.00 0.00 175.17 176.17 1uwi h ASP 393 N 6.21 1.06 0.96 -0.34 3.58 -1.90 -2.71 116.42 123.28 1uwi h ASP 393 Ca 0.08 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1uwi h ASP 393 Cb 1.10 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1uwi h ASP 393 CO 0.12 0.85 -0.17 0.00 -2.88 0.00 0.00 179.24 177.16 1uwi h ALA 394 N 1.25 1.02 -0.83 -0.78 0.00 -1.95 -3.47 119.26 114.50 1uwi h ALA 394 Ca 0.30 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1uwi h ALA 394 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1uwi h ALA 394 CO -0.05 0.22 -0.17 -3.47 0.00 0.00 0.00 179.25 175.77 1uwi n ASP 395 N -3.33 -3.12 -0.08 0.00 2.03 -1.02 -4.95 116.55 106.08 1uwi n ASP 395 Ca 0.00 0.05 -0.15 0.00 0.52 0.00 0.00 54.79 55.22 1uwi n ASP 395 Cb 0.40 -2.07 -0.05 0.00 -0.72 0.00 0.00 41.12 38.69 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 1.08 0.00 -0.67 0.05 -1.91 -3.37 116.97 112.15 1uwi h TYR 396 Ca -0.17 -0.39 -0.09 0.00 0.05 0.00 0.00 58.73 58.14 1uwi h TYR 396 Cb 0.92 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 1uwi h TYR 396 CO 0.20 1.22 -1.99 1.04 -1.05 0.00 0.00 178.16 177.58 1uwi n GLN 397 N -4.03 0.70 -0.27 4.88 6.02 -1.26 -4.61 117.38 118.81 1uwi n GLN 397 Ca -0.05 -0.14 0.06 0.00 -0.01 0.00 0.00 57.00 56.87 1uwi n GLN 397 Cb 0.63 -1.47 0.20 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 0.46 -0.58 -1.09 2.43 -1.92 0.10 114.38 113.78 1uwi h ARG 398 Ca -0.13 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1uwi h ARG 398 Cb 1.22 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 1uwi h ARG 398 CO 0.01 0.31 0.26 -1.35 -1.51 0.00 0.00 179.97 177.69 1uwi h PRO 399 N 0.48 0.47 -0.39 0.20 0.11 -1.82 0.43 132.00 131.49 1uwi h PRO 399 Ca 0.44 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.39 1uwi h PRO 399 Cb 0.67 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1uwi h PRO 399 CO -0.41 0.31 -0.26 1.88 -0.21 0.00 0.00 178.00 179.32 1uwi h TYR 400 N 0.49 1.01 -0.25 0.65 -1.99 -1.50 -2.62 116.97 112.77 1uwi h TYR 400 Ca 0.28 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1uwi h TYR 400 Cb 0.27 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1uwi h TYR 400 CO -0.13 1.06 0.12 -0.92 -0.00 0.00 0.00 178.16 178.29 1uwi h TYR 401 N 0.67 0.35 0.87 4.88 5.03 -0.15 -0.95 116.97 127.67 1uwi h TYR 401 Ca 0.08 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 1uwi h TYR 401 Cb 0.83 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1uwi h TYR 401 CO 0.06 0.32 -0.49 1.25 -1.32 0.00 0.00 178.16 177.98 1uwi h LEU 402 N 0.27 -1.22 -0.77 2.82 5.85 -0.15 -2.24 115.31 119.87 1uwi h LEU 402 Ca 0.08 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1uwi h LEU 402 Cb 0.10 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1uwi h LEU 402 CO -0.01 -0.78 0.50 0.58 -0.34 0.00 0.00 178.44 178.39 1uwi h VAL 403 N -1.27 1.16 -0.44 1.05 2.07 -1.50 -1.93 116.25 115.40 1uwi h VAL 403 Ca -0.12 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1uwi h VAL 403 Cb 1.00 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1uwi h VAL 403 CO 0.15 0.18 0.25 0.28 0.02 0.00 0.00 177.57 178.45 1uwi h SER 404 N 1.01 0.54 0.24 0.57 0.02 -1.15 -1.20 113.55 113.57 1uwi h SER 404 Ca 0.29 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 61.00 1uwi h SER 404 Cb -0.06 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1uwi h SER 404 CO -0.08 0.45 -0.67 0.45 -1.14 0.00 0.00 176.83 175.84 1uwi h HIS 405 N 0.57 0.52 -0.69 3.45 -0.00 -1.27 -2.26 115.15 115.47 1uwi h HIS 405 Ca 0.16 -0.22 -0.05 0.00 -0.00 0.00 0.00 60.37 60.26 1uwi h HIS 405 Cb 0.03 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1uwi h HIS 405 CO -0.03 0.95 0.25 0.28 -0.00 0.00 0.00 177.93 179.38 1uwi h VAL 406 N 0.28 1.24 -0.65 2.45 2.07 -1.22 -1.43 116.25 119.00 1uwi h VAL 406 Ca -0.02 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1uwi h VAL 406 Cb 1.23 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1uwi h VAL 406 CO 0.11 0.32 0.38 0.22 0.02 0.00 0.00 177.57 178.63 1uwi h TYR 407 N 1.01 0.86 -0.28 1.57 3.20 -1.03 -1.69 116.97 120.62 1uwi h TYR 407 Ca 0.23 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1uwi h TYR 407 Cb 0.24 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1uwi h TYR 407 CO 0.02 0.59 0.05 1.96 -1.64 0.00 0.00 178.16 179.14 1uwi h GLN 408 N 0.88 0.40 -0.39 1.82 1.08 -0.75 -0.05 115.11 118.11 1uwi h GLN 408 Ca 0.23 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.24 1uwi h GLN 408 Cb -0.01 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1uwi h GLN 408 CO -0.04 0.39 -0.27 0.28 -0.95 0.00 0.00 178.83 178.23 1uwi h VAL 409 N 0.40 1.27 -0.67 -0.54 2.07 -0.61 -1.27 116.25 116.90 1uwi h VAL 409 Ca 0.09 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 1uwi h VAL 409 Cb 0.18 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1uwi h VAL 409 CO -0.00 0.47 0.30 -0.74 0.02 0.00 0.00 177.57 177.62 1uwi h HIS 410 N 0.69 0.99 -0.32 1.57 -0.00 -0.39 -1.74 115.15 115.96 1uwi h HIS 410 Ca 0.08 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.33 1uwi h HIS 410 Cb 0.80 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 1uwi h HIS 410 CO 0.04 0.76 -0.08 -0.09 -0.00 0.00 0.00 177.93 178.57 1uwi h ARG 411 N 0.94 0.52 -0.15 5.26 2.43 -0.73 -2.10 114.38 120.56 1uwi h ARG 411 Ca 0.23 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 59.10 1uwi h ARG 411 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1uwi h ARG 411 CO -0.02 0.60 -0.61 0.00 -1.51 0.00 0.00 179.97 178.43 1uwi h ALA 412 N 1.44 0.67 -0.61 2.80 0.00 -0.76 -2.76 119.26 120.04 1uwi h ALA 412 Ca 0.10 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1uwi h ALA 412 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1uwi h ALA 412 CO 0.02 0.71 0.09 0.82 0.00 0.00 0.00 179.25 180.89 1uwi h ILE 413 N 0.37 1.26 0.00 0.00 2.04 -1.01 -1.87 117.51 118.30 1uwi h ILE 413 Ca -0.01 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1uwi h ILE 413 Cb 1.16 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1uwi h ILE 413 CO 0.11 0.37 0.00 0.78 0.00 0.00 0.00 178.15 179.41 1uwi h ASN 414 N 0.92 0.00 0.73 1.72 2.35 -1.28 0.35 115.58 120.36 1uwi h ASN 414 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1uwi h ASN 414 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1uwi h ASN 414 CO 0.01 0.00 -0.25 -1.20 -1.65 0.00 0.00 177.43 174.34 1uwi n SER 415 N -2.48 0.27 0.00 5.81 7.64 -0.80 -4.92 113.62 119.13 1uwi n SER 415 Ca 0.01 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1uwi n SER 415 Cb 0.24 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.49 0.78 3.76 0.23 0.00 0.11 -5.09 105.19 106.48 1uwi n GLY 416 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 3.54 -0.91 4.61 0.00 -0.77 -4.94 121.76 121.29 1uwi s ALA 417 Ca 0.00 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1uwi s ALA 417 Cb 0.00 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.75 1uwi s ALA 417 CO 0.00 -0.68 1.08 0.34 0.00 0.00 0.00 175.76 176.50 1uwi s ASP 418 N -0.13 6.64 -0.24 0.00 -1.08 -1.26 -4.26 116.67 116.33 1uwi s ASP 418 Ca 0.53 -2.10 -0.04 0.00 -0.52 0.00 0.00 52.55 50.41 1uwi s ASP 418 Cb -0.40 -2.38 -0.00 0.00 -1.46 0.00 0.00 42.92 38.68 1uwi s ASP 418 CO 0.49 -1.01 -0.02 -0.69 0.52 0.00 0.00 175.17 174.46 1uwi s VAL 419 N 2.41 3.44 -2.49 1.11 1.01 -1.26 -0.49 120.40 124.13 1uwi s VAL 419 Ca 0.31 -0.58 0.25 0.00 0.00 0.00 0.00 61.98 61.95 1uwi s VAL 419 Cb -0.06 -2.62 0.21 0.00 0.00 0.00 0.00 36.38 33.91 1uwi s VAL 419 CO -0.09 0.34 1.34 0.54 0.00 0.00 0.00 175.10 177.22 1uwi n ARG 420 N 4.80 1.71 -3.61 2.72 1.74 0.12 -4.96 116.66 119.18 1uwi n ARG 420 Ca -0.17 -1.32 -0.02 0.00 -0.77 0.00 0.00 57.85 55.57 1uwi n ARG 420 Cb 0.50 -1.47 -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 -2.20 -0.35 -0.14 -0.13 0.00 -1.26 -2.12 107.32 101.12 1uwi s GLY 421 Ca 0.27 1.09 -0.01 0.00 0.00 0.00 0.00 44.72 46.06 1uwi s GLY 421 CO 0.41 0.31 -0.01 -0.47 0.00 0.00 0.00 173.10 173.34 1uwi s TYR 422 N -2.47 1.13 -0.37 1.90 6.14 -0.31 -1.47 117.35 121.90 1uwi s TYR 422 Ca 0.12 -0.67 -0.02 0.00 0.64 0.00 0.00 57.07 57.13 1uwi s TYR 422 Cb 0.02 -1.05 0.09 0.00 0.42 0.00 0.00 41.96 41.44 1uwi s TYR 422 CO -0.04 -0.51 0.13 -0.51 0.64 0.00 0.00 175.55 175.27 1uwi s LEU 423 N 1.82 4.80 0.35 6.97 1.02 0.63 -0.80 118.68 133.47 1uwi s LEU 423 Ca 0.02 -1.78 -0.29 0.00 0.02 0.00 0.00 54.13 52.10 1uwi s LEU 423 Cb -0.14 -1.79 -0.11 0.00 0.02 0.00 0.00 46.19 44.17 1uwi s LEU 423 CO -0.07 -0.44 1.50 -2.28 0.02 0.00 0.00 176.35 175.08 1uwi s HIS 424 N 1.17 2.67 -0.55 0.29 2.46 -0.60 -3.28 115.29 117.45 1uwi s HIS 424 Ca 0.04 1.08 -0.27 0.00 0.47 0.00 0.00 55.06 56.39 1uwi s HIS 424 Cb -0.22 -4.01 -0.01 0.00 -0.13 0.00 0.00 32.58 28.21 1uwi s HIS 424 CO -0.03 -3.06 1.76 -0.46 -2.47 0.00 0.00 174.74 170.47 1uwi s TRP 425 N -0.82 1.81 0.32 3.88 -0.11 0.20 -2.35 118.94 121.88 1uwi s TRP 425 Ca 0.55 0.68 0.00 0.00 1.22 0.00 0.00 56.10 58.55 1uwi s TRP 425 Cb -0.46 -4.16 0.00 0.00 -1.50 0.00 0.00 33.47 27.34 1uwi s TRP 425 CO 0.58 -2.36 0.00 0.43 -4.62 0.00 0.00 176.95 170.98 1uwi n SER 426 N 11.66 -7.42 -0.13 5.86 7.64 -0.99 -4.56 113.62 125.68 1uwi n SER 426 Ca 0.19 1.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.95 1uwi n SER 426 Cb 0.51 -3.54 -0.02 0.00 -1.01 0.00 0.00 64.21 60.15 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 1.99 0.78 -8.46 -3.43 6.46 -1.81 -2.96 115.31 107.88 1uwi h LEU 427 Ca 0.00 -0.39 -0.26 0.00 -0.12 0.00 0.00 57.88 57.11 1uwi h LEU 427 Cb 0.00 -0.21 -0.16 0.00 -0.73 0.00 0.00 40.66 39.56 1uwi h LEU 427 CO 0.00 1.00 -0.71 0.00 -0.62 0.00 0.00 178.44 178.11 1uwi s ALA 428 N -4.68 1.05 0.88 1.25 0.00 -1.26 0.30 121.76 119.29 1uwi s ALA 428 Ca -0.12 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 1uwi s ALA 428 Cb 0.10 0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.41 1uwi s ALA 428 CO 0.82 -0.17 0.89 -0.25 0.00 0.00 0.00 175.76 177.05 1uwi n ASP 429 N 0.10 -0.32 -1.46 0.00 8.00 -1.02 -4.24 116.55 117.62 1uwi n ASP 429 Ca -0.13 0.46 -0.03 0.00 0.71 0.00 0.00 54.79 55.80 1uwi n ASP 429 Cb 0.60 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 -2.73 -0.51 -4.59 -2.24 6.94 -1.26 -4.78 115.26 106.09 1uwi n ASN 430 Ca 0.11 -1.42 -0.42 0.00 -0.02 0.00 0.00 54.58 52.82 1uwi n ASN 430 Cb 0.52 0.87 -0.02 0.00 -2.36 0.00 0.00 39.78 38.78 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 -6.50 2.61 -1.50 -2.53 5.04 -0.57 -4.64 117.35 109.26 1uwi s TYR 431 Ca 0.05 0.52 -0.11 0.00 -2.44 0.00 0.00 57.07 55.09 1uwi s TYR 431 Cb -0.01 -4.47 0.01 0.00 0.35 0.00 0.00 41.96 37.83 1uwi s TYR 431 CO 0.04 -1.58 2.55 0.39 -1.34 0.00 0.00 175.55 175.61 1uwi n GLU 432 N 8.29 3.56 0.00 4.97 -0.58 0.08 -4.65 120.64 132.32 1uwi n GLU 432 Ca 0.10 -2.63 0.00 0.00 -0.42 0.00 0.00 57.16 54.21 1uwi n GLU 432 Cb 0.49 -2.94 0.00 0.00 -0.57 0.00 0.00 31.44 28.42 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 4.12 0.00 0.27 -0.32 7.02 -1.26 -0.28 117.44 126.99 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 0.92 0.00 -2.42 0.00 0.00 31.31 30.10 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 1.56 0.00 6.99 0.00 -1.84 -2.03 119.26 123.94 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 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uwi h ALA 434 CO 0.00 -0.13 0.00 0.77 0.00 0.00 0.00 179.25 179.89 1uwi h SER 435 N 0.00 0.00 0.00 0.00 0.02 -0.97 0.77 113.55 113.36 1uwi h SER 435 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1uwi h SER 435 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 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 -1.36 0.05 -3.77 0.00 -0.76 -4.20 105.19 96.17 1uwi n GLY 436 Ca 0.04 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.74 117.46 121.06 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 0.73 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.24 0.00 -3.00 4.37 4.64 -1.90 -3.38 113.55 114.51 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 0.09 0.24 -0.04 -0.87 0.00 0.00 176.83 176.25 1uwi s MET 439 N -4.45 3.12 -0.46 4.77 -1.94 -1.26 -4.93 119.30 114.15 1uwi s MET 439 Ca -0.04 -0.94 -0.16 0.00 -1.71 0.00 0.00 55.69 52.85 1uwi s MET 439 Cb 0.14 -4.17 0.06 0.00 2.01 0.00 0.00 34.83 32.87 1uwi s MET 439 CO 0.60 -1.49 0.39 1.03 -0.01 0.00 0.00 175.02 175.54 1uwi s ARG 440 N 3.12 2.98 0.00 2.03 0.52 -1.26 -4.65 118.95 121.69 1uwi s ARG 440 Ca 0.17 -1.27 0.26 0.00 -0.52 0.00 0.00 55.73 54.37 1uwi s ARG 440 Cb -0.19 -4.10 0.56 0.00 0.52 0.00 0.00 34.95 31.73 1uwi s ARG 440 CO 0.11 -0.98 1.47 1.19 0.02 0.00 0.00 175.30 177.10 1uwi n PHE 441 N 5.23 0.00 -2.28 -0.53 3.01 -1.26 -1.59 117.46 120.05 1uwi n PHE 441 Ca -0.12 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.00 1uwi n PHE 441 Cb 0.44 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.04 2.43 0.25 1.37 0.00 -1.26 -4.60 107.32 103.48 1uwi s GLY 442 Ca 0.32 0.62 0.13 0.00 0.00 0.00 0.00 44.72 45.79 1uwi s GLY 442 CO 0.33 0.95 1.46 1.41 0.00 0.00 0.00 173.10 177.25 1uwi h LEU 443 N 1.07 0.00 -8.71 0.66 3.38 -1.15 -3.43 115.31 107.14 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 41.74 1uwi h LEU 443 CO 0.58 0.61 -0.73 -0.76 0.09 0.00 0.00 178.44 178.23 1uwi s LEU 444 N -6.66 2.92 0.17 1.67 1.43 0.15 -2.12 118.68 116.23 1uwi s LEU 444 Ca 0.02 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1uwi s LEU 444 Cb 0.09 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 1uwi s LEU 444 CO 0.75 0.17 0.90 -0.75 0.23 0.00 0.00 176.35 177.65 1uwi s LYS 445 N 0.34 4.72 -0.17 1.70 2.20 0.11 -2.42 119.74 126.21 1uwi s LYS 445 Ca -0.08 1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 56.84 1uwi s LYS 445 Cb -0.15 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1uwi s LYS 445 CO 0.05 0.42 0.01 0.08 -0.36 0.00 0.00 175.35 175.54 1uwi s VAL 446 N -0.73 4.21 -0.52 4.02 1.01 -1.26 -0.47 120.40 126.67 1uwi s VAL 446 Ca 0.41 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1uwi s VAL 446 Cb -0.24 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.32 1uwi s VAL 446 CO 0.29 0.47 0.66 -0.62 0.00 0.00 0.00 175.10 175.90 1uwi s ASP 447 N 0.51 6.22 0.01 3.32 -1.08 -0.53 -4.90 116.67 120.22 1uwi s ASP 447 Ca -0.01 -0.94 0.06 0.00 -0.52 0.00 0.00 52.55 51.14 1uwi s ASP 447 Cb -0.14 -2.30 0.26 0.00 -1.46 0.00 0.00 42.92 39.29 1uwi s ASP 447 CO 0.02 -0.95 1.20 -1.22 0.52 0.00 0.00 175.17 174.74 1uwi n TYR 448 N 6.29 0.02 -0.07 -5.34 4.01 -1.26 0.10 117.16 120.92 1uwi n TYR 448 Ca -0.06 0.01 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 1uwi n TYR 448 Cb 0.45 -0.51 -0.08 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.55 7.72 4.21 -1.93 -3.38 115.58 122.75 1uwi h ASN 449 Ca 0.00 -0.56 0.00 0.00 1.21 0.00 0.00 56.30 56.95 1uwi h ASN 449 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1uwi h ASN 449 CO 0.00 0.87 -1.01 0.35 -1.29 0.00 0.00 177.43 176.35 1uwi n THR 450 N -4.65 0.25 -1.20 2.81 -2.24 -1.11 -4.94 114.28 103.20 1uwi n THR 450 Ca -0.09 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.32 1uwi n THR 450 Cb 0.33 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.10 -0.75 -2.74 -0.78 4.76 0.29 -4.99 118.16 111.85 1uwi n LYS 451 Ca 0.02 0.66 -0.35 0.00 -2.87 0.00 0.00 58.31 55.76 1uwi n LYS 451 Cb 0.46 -4.50 -0.06 0.00 -1.84 0.00 0.00 35.03 29.08 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 -2.25 4.32 -0.08 1.97 3.52 -1.19 -4.80 118.95 120.44 1uwi s ARG 452 Ca 0.00 1.28 -0.01 0.00 -0.13 0.00 0.00 55.73 56.87 1uwi s ARG 452 Cb 0.00 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 1uwi s ARG 452 CO 0.00 0.04 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.01 1uwi s LEU 453 N -2.68 3.51 0.04 -0.88 1.43 -1.26 -1.45 118.68 117.38 1uwi s LEU 453 Ca 0.57 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1uwi s LEU 453 Cb -0.15 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1uwi s LEU 453 CO 0.20 0.37 -0.20 -0.31 0.23 0.00 0.00 176.35 176.64 1uwi s TYR 454 N -0.88 1.79 -0.47 0.29 2.02 0.39 -4.94 117.35 115.55 1uwi s TYR 454 Ca 0.13 -0.37 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 1uwi s TYR 454 Cb -0.11 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.40 1uwi s TYR 454 CO 0.02 0.07 0.85 -1.58 -1.57 0.00 0.00 175.55 173.35 1uwi s TRP 455 N -0.76 2.94 0.54 2.71 0.52 -1.26 0.09 118.94 123.71 1uwi s TRP 455 Ca 0.07 0.21 -0.19 0.00 0.02 0.00 0.00 56.10 56.21 1uwi s TRP 455 Cb -0.09 -3.83 -0.06 0.00 -1.15 0.00 0.00 33.47 28.35 1uwi s TRP 455 CO 0.01 -1.08 1.07 1.03 0.02 0.00 0.00 176.95 178.01 1uwi s ARG 456 N 3.53 3.52 0.40 4.98 0.52 -0.90 -4.90 118.95 126.09 1uwi s ARG 456 Ca 0.32 1.39 0.18 0.00 -0.52 0.00 0.00 55.73 57.10 1uwi s ARG 456 Cb -0.12 -2.05 1.09 0.00 0.52 0.00 0.00 34.95 34.40 1uwi s ARG 456 CO 0.23 -0.67 1.78 -1.35 0.02 0.00 0.00 175.30 175.32 1uwi h PRO 457 N 1.12 0.39 0.00 3.54 0.11 -1.92 0.12 132.00 135.35 1uwi h PRO 457 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1uwi h PRO 457 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uwi h PRO 457 CO 0.58 0.26 -0.04 0.66 -0.21 0.00 0.00 178.00 179.25 1uwi h SER 458 N 0.41 0.00 0.97 -2.05 4.64 -1.89 -0.22 113.55 115.41 1uwi h SER 458 Ca 0.58 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.81 1uwi h SER 458 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1uwi h SER 458 CO -0.28 0.04 -0.43 0.77 -0.87 0.00 0.00 176.83 176.05 1uwi h SER 459 N 0.00 0.00 0.40 4.97 4.64 -0.95 0.38 113.55 122.99 1uwi h SER 459 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1uwi h SER 459 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1uwi h SER 459 CO 0.00 0.43 -0.80 -0.07 -0.87 0.00 0.00 176.83 175.53 1uwi h LEU 460 N 0.00 0.38 -0.24 5.97 3.38 -1.09 -1.51 115.31 122.20 1uwi h LEU 460 Ca -0.00 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1uwi h LEU 460 Cb 1.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1uwi h LEU 460 CO 0.06 1.03 -0.20 0.58 0.09 0.00 0.00 178.44 179.99 1uwi h VAL 461 N 0.19 1.31 -0.50 1.22 2.07 -0.99 -2.86 116.25 116.70 1uwi h VAL 461 Ca -0.04 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1uwi h VAL 461 Cb 1.39 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1uwi h VAL 461 CO 0.13 0.42 0.20 0.22 0.02 0.00 0.00 177.57 178.56 1uwi h TYR 462 N 0.27 0.71 -0.49 1.57 3.20 -0.88 -1.06 116.97 120.29 1uwi h TYR 462 Ca 0.04 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1uwi h TYR 462 Cb 0.75 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1uwi h TYR 462 CO 0.07 0.55 0.20 -0.09 -1.64 0.00 0.00 178.16 177.26 1uwi h ARG 463 N 0.71 0.70 -0.48 1.82 2.43 -1.12 0.58 114.38 119.02 1uwi h ARG 463 Ca 0.17 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1uwi h ARG 463 Cb 0.13 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1uwi h ARG 463 CO -0.02 0.57 0.11 0.93 -1.51 0.00 0.00 179.97 180.05 1uwi h GLU 464 N 0.70 0.77 0.02 0.20 4.39 -0.98 -0.15 114.58 119.52 1uwi h GLU 464 Ca 0.17 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1uwi h GLU 464 Cb 0.13 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1uwi h GLU 464 CO -0.02 0.75 -0.01 0.82 -1.16 0.00 0.00 179.01 179.40 1uwi h ILE 465 N 0.65 1.23 -0.15 3.13 2.04 -0.91 -1.79 117.51 121.70 1uwi h ILE 465 Ca 0.15 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1uwi h ILE 465 Cb 0.34 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1uwi h ILE 465 CO 0.00 0.19 0.08 0.00 0.00 0.00 0.00 178.15 178.42 1uwi h ALA 466 N 0.63 0.20 -0.51 1.87 0.00 -0.89 0.35 119.26 120.91 1uwi h ALA 466 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uwi h ALA 466 Cb 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1uwi h ALA 466 CO 0.00 -0.26 0.34 1.15 0.00 0.00 0.00 179.25 180.48 1uwi h THR 467 N 0.14 1.12 -0.01 0.00 2.02 -1.05 -2.84 112.91 112.30 1uwi h THR 467 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1uwi h THR 467 Cb 0.09 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1uwi h THR 467 CO -0.01 0.12 -0.68 0.59 0.37 0.00 0.00 175.52 175.92 1uwi n ASN 468 N -4.46 1.42 -3.11 4.18 3.02 -0.67 -4.96 115.26 110.67 1uwi n ASN 468 Ca 0.05 -1.21 -0.23 0.00 -0.03 0.00 0.00 54.58 53.16 1uwi n ASN 468 Cb 0.06 0.74 0.04 0.00 -0.61 0.00 0.00 39.78 40.01 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 1.40 -0.53 3.61 7.41 0.00 0.12 -4.92 105.19 112.28 1uwi n GLY 469 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.20 -2.17 -0.56 4.61 0.00 -0.91 -1.59 121.76 117.95 1uwi s ALA 470 Ca 0.35 1.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.24 1uwi s ALA 470 Cb -0.15 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1uwi s ALA 470 CO 0.43 -0.82 0.92 0.42 0.00 0.00 0.00 175.76 176.70 1uwi s ILE 471 N -2.39 4.43 0.76 0.00 1.01 -0.58 -4.21 121.20 120.21 1uwi s ILE 471 Ca 0.12 0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 1uwi s ILE 471 Cb 0.02 -4.53 0.05 0.00 0.01 0.00 0.00 42.46 38.01 1uwi s ILE 471 CO -0.04 -1.12 1.13 0.42 0.00 0.00 0.00 174.94 175.33 1uwi s THR 472 N 3.84 2.86 0.29 2.92 -4.23 -1.26 -3.88 115.64 116.18 1uwi s THR 472 Ca 0.28 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1uwi s THR 472 Cb -0.13 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.22 1uwi s THR 472 CO 0.18 -0.31 1.87 0.44 -0.54 0.00 0.00 174.62 176.26 1uwi h ASP 473 N -0.79 0.95 0.08 3.99 3.32 -2.00 -2.48 116.42 119.49 1uwi h ASP 473 Ca -0.45 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1uwi h ASP 473 Cb 1.25 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1uwi h ASP 473 CO 0.50 0.57 -0.03 1.05 -1.72 0.00 0.00 179.24 179.61 1uwi h GLU 474 N 1.05 0.00 -0.23 3.56 9.09 -2.03 -2.72 114.58 123.31 1uwi h GLU 474 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1uwi h GLU 474 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1uwi h GLU 474 CO -0.20 0.03 0.00 0.44 0.05 0.00 0.00 179.01 179.33 1uwi n ILE 475 N -3.84 1.35 -0.02 -1.06 -5.35 -0.95 -4.68 119.36 104.81 1uwi n ILE 475 Ca -0.03 -1.30 0.05 0.00 -0.27 0.00 0.00 62.75 61.21 1uwi n ILE 475 Cb 0.12 0.27 0.44 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.38 0.51 -0.02 6.28 4.81 -1.28 -2.17 114.58 124.10 1uwi h GLU 476 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1uwi h GLU 476 Cb 0.86 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1uwi h GLU 476 CO 0.05 0.34 0.12 1.12 -0.73 0.00 0.00 179.01 179.91 1uwi h HIS 477 N 0.53 0.00 0.00 0.92 2.07 -1.83 0.31 115.15 117.15 1uwi h HIS 477 Ca 0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 1uwi h HIS 477 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 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 -3.16 0.00 -3.65 6.12 4.77 -0.82 -3.87 117.00 116.40 1uwi n LEU 478 Ca -0.02 0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 1uwi n LEU 478 Cb 0.19 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1uwi n LEU 478 CO 0.19 -0.13 2.60 -3.20 -1.33 0.00 0.00 177.39 175.52 1uwi n ASN 479 N -1.37 5.73 -3.24 -1.43 4.05 0.10 -3.95 115.26 115.14 1uwi n ASN 479 Ca 0.07 -2.90 -0.08 0.00 0.45 0.00 0.00 54.58 52.12 1uwi n ASN 479 Cb 0.18 -1.55 0.01 0.00 1.23 0.00 0.00 39.78 39.64 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 1.99 -0.07 0.14 1.20 1.04 -1.25 -4.95 113.70 111.80 1uwi s SER 480 Ca 0.51 -0.98 -0.27 0.00 0.48 0.00 0.00 55.95 55.69 1uwi s SER 480 Cb 0.14 0.81 -0.07 0.00 0.10 0.00 0.00 66.02 67.00 1uwi s SER 480 CO -0.06 -1.57 0.83 -0.69 0.98 0.00 0.00 173.24 172.73 1uwi s VAL 481 N -2.85 4.43 0.20 5.02 1.01 -1.26 -4.77 120.40 122.17 1uwi s VAL 481 Ca 0.14 1.81 -0.32 0.00 0.00 0.00 0.00 61.98 63.61 1uwi s VAL 481 Cb -0.05 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 1uwi s VAL 481 CO 0.10 0.45 1.74 -2.84 0.00 0.00 0.00 175.10 174.55 1uwi s PRO 482 N -0.71 4.12 0.08 2.72 0.02 -1.26 -4.86 135.00 135.11 1uwi s PRO 482 Ca 0.39 2.61 -0.35 0.00 0.02 0.00 0.00 61.00 63.67 1uwi s PRO 482 Cb -0.23 -3.15 -0.14 0.00 0.02 0.00 0.00 34.50 30.99 1uwi s PRO 482 CO 0.27 -0.77 1.58 -2.30 -0.33 0.00 0.00 177.00 175.45 1uwi n PRO 483 N 4.25 1.85 0.13 5.54 -0.02 -1.26 -4.79 135.00 140.70 1uwi n PRO 483 Ca 0.16 0.67 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 1uwi n PRO 483 Cb 0.36 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.94 0.00 -0.42 -1.45 -1.51 -1.93 -3.38 116.25 111.49 1uwi h VAL 484 Ca -0.46 -0.95 0.07 0.00 -1.23 0.00 0.00 66.70 64.13 1uwi h VAL 484 Cb 1.28 1.60 -0.06 0.00 -2.13 0.00 0.00 31.29 31.98 1uwi h VAL 484 CO 0.88 0.00 0.06 0.11 -1.23 0.00 0.00 177.57 177.38 1uwi h LYS 485 N 0.00 0.17 0.00 5.19 1.79 -1.99 -1.94 116.57 119.80 1uwi h LYS 485 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1uwi h LYS 485 Cb 0.97 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1uwi h LYS 485 CO 0.00 0.11 0.00 -1.35 -1.08 0.00 0.00 179.45 177.13 1uwi h PRO 486 N 0.18 0.00 -7.06 3.15 0.11 -1.99 -3.46 132.00 122.93 1uwi h PRO 486 Ca 0.21 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.84 1uwi h PRO 486 Cb 0.27 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.43 1uwi h PRO 486 CO -0.30 0.00 0.14 -0.51 -0.21 0.00 0.00 178.00 177.12 1uwi s LEU 487 N -4.97 3.30 0.39 2.35 1.43 -0.73 -5.05 118.68 115.39 1uwi s LEU 487 Ca 0.07 0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 53.58 1uwi s LEU 487 Cb 0.10 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.73 1uwi s LEU 487 CO 0.54 -1.00 1.17 -0.60 0.23 0.00 0.00 176.35 176.69 1uwi s ARG 488 N -4.92 4.13 0.00 1.70 3.52 -1.26 -4.99 118.95 117.12 1uwi s ARG 488 Ca 0.53 1.85 0.04 0.00 -0.13 0.00 0.00 55.73 58.02 1uwi s ARG 488 Cb -0.10 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1uwi s ARG 488 CO 0.44 -0.26 0.63 0.72 -0.81 0.00 0.00 175.30 176.03