#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uch s TRP 6 N 0.00 3.42 0.04 -0.14 0.52 -1.26 -0.73 118.94 120.79 1uch s TRP 6 Ca 0.00 0.29 -0.34 0.00 0.02 0.00 0.00 56.10 56.07 1uch s TRP 6 Cb 0.00 -1.99 -0.13 0.00 -1.15 0.00 0.00 33.47 30.20 1uch s TRP 6 CO 0.00 0.01 1.73 -0.11 0.02 0.00 0.00 176.95 178.59 1uch n LEU 7 N -1.84 3.28 -4.64 2.99 7.94 -1.26 -4.72 117.00 118.74 1uch n LEU 7 Ca -0.03 1.03 -0.35 0.00 -1.11 0.00 0.00 56.01 55.54 1uch n LEU 7 Cb 0.57 -1.40 0.10 0.00 0.53 0.00 0.00 43.42 43.21 1uch n LEU 7 CO 0.48 -0.17 0.62 -2.65 -1.11 0.00 0.00 177.39 174.56 1uch n PRO 8 N 4.98 0.48 -2.34 1.96 -0.02 -1.26 -4.49 135.00 134.32 1uch n PRO 8 Ca 0.20 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1uch n PRO 8 Cb 0.29 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1uch n PRO 8 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1uch n LEU 9 N -2.07 6.80 -3.72 2.45 4.77 -1.26 -4.83 117.00 119.13 1uch n LEU 9 Ca 0.13 -4.71 -0.13 0.00 -0.03 0.00 0.00 56.01 51.27 1uch n LEU 9 Cb 0.50 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.04 1uch n LEU 9 CO 0.48 1.48 0.13 -1.83 -1.33 0.00 0.00 177.39 176.32 1uch s GLU 10 N -0.01 0.54 -0.80 3.23 -1.05 -1.26 -5.01 118.70 114.34 1uch s GLU 10 Ca 0.40 0.61 -0.26 0.00 -0.15 0.00 0.00 54.97 55.58 1uch s GLU 10 Cb 0.10 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1uch s GLU 10 CO 0.00 -0.07 1.61 0.00 0.95 0.00 0.00 175.26 177.75 1uch s ALA 11 N 0.20 2.37 -0.38 -0.84 0.00 -1.26 -4.91 121.76 116.93 1uch s ALA 11 Ca -0.00 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1uch s ALA 11 Cb -0.03 -4.39 0.13 0.00 0.00 0.00 0.00 23.12 18.83 1uch s ALA 11 CO 0.01 -3.83 0.20 1.21 0.00 0.00 0.00 175.76 173.35 1uch s ASN 12 N 6.05 3.46 0.30 0.00 3.84 -1.26 -5.02 114.94 122.33 1uch s ASN 12 Ca 0.53 -2.24 0.06 0.00 0.21 0.00 0.00 52.86 51.42 1uch s ASN 12 Cb -0.07 -0.75 0.78 0.00 -0.55 0.00 0.00 41.25 40.66 1uch s ASN 12 CO 0.08 -0.31 1.72 -0.65 -2.79 0.00 0.00 177.10 175.15 1uch h PRO 13 N 7.13 0.52 -0.11 0.43 0.11 -1.90 -2.23 132.00 135.95 1uch h PRO 13 Ca -0.02 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.89 1uch h PRO 13 Cb 0.96 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.96 1uch h PRO 13 CO 0.40 0.35 -0.62 1.49 -0.21 0.00 0.00 178.00 179.41 1uch h GLU 14 N 0.54 0.62 -0.50 1.05 4.81 -1.96 0.70 114.58 119.84 1uch h GLU 14 Ca 0.59 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1uch h GLU 14 Cb 1.08 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1uch h GLU 14 CO -0.48 1.13 0.23 0.28 -0.73 0.00 0.00 179.01 179.44 1uch h VAL 15 N 0.27 1.20 -0.65 0.32 2.07 -1.96 -0.70 116.25 116.79 1uch h VAL 15 Ca -0.04 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1uch h VAL 15 Cb 1.26 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1uch h VAL 15 CO 0.13 0.22 0.40 0.74 0.02 0.00 0.00 177.57 179.08 1uch h THR 16 N 0.66 1.19 -0.36 2.57 2.02 -1.27 -0.69 112.91 117.02 1uch h THR 16 Ca 0.17 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1uch h THR 16 Cb 0.14 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1uch h THR 16 CO -0.02 0.19 -0.14 0.78 0.37 0.00 0.00 175.52 176.70 1uch h ASN 17 N 0.89 0.64 -0.69 4.18 2.35 -0.76 -0.56 115.58 121.64 1uch h ASN 17 Ca 0.24 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1uch h ASN 17 Cb -0.04 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1uch h ASN 17 CO -0.05 0.80 0.22 1.56 -1.65 0.00 0.00 177.43 178.32 1uch h GLN 18 N 0.59 1.06 -0.49 0.81 1.08 -0.74 -1.86 115.11 115.56 1uch h GLN 18 Ca 0.10 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1uch h GLN 18 Cb 0.58 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1uch h GLN 18 CO 0.04 0.92 0.07 0.35 -0.95 0.00 0.00 178.83 179.26 1uch h PHE 19 N 1.00 0.87 -0.58 2.96 3.57 -0.84 -1.59 116.94 122.33 1uch h PHE 19 Ca 0.22 -0.12 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1uch h PHE 19 Cb 0.29 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 1uch h PHE 19 CO 0.02 0.80 0.16 -0.07 -2.23 0.00 0.00 178.31 176.99 1uch h LEU 20 N 0.69 0.09 -0.18 0.59 3.38 -0.96 0.19 115.31 119.10 1uch h LEU 20 Ca 0.15 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1uch h LEU 20 Cb 0.40 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1uch h LEU 20 CO 0.01 0.06 0.02 0.50 0.09 0.00 0.00 178.44 179.12 1uch h LYS 21 N 0.31 0.08 0.00 1.13 3.64 -1.04 -1.90 116.57 118.80 1uch h LYS 21 Ca 0.30 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1uch h LYS 21 Cb 0.42 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1uch h LYS 21 CO -0.35 0.06 -0.12 0.37 -2.27 0.00 0.00 179.45 177.13 1uch h GLN 22 N 0.09 0.00 -0.00 1.90 4.15 -0.33 -0.67 115.11 120.25 1uch h GLN 22 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1uch h GLN 22 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1uch h GLN 22 CO -0.12 0.12 -0.06 1.28 -1.93 0.00 0.00 178.83 178.12 1uch n LEU 23 N -3.34 0.17 0.00 -2.39 4.77 0.56 -4.78 117.00 111.99 1uch n LEU 23 Ca -0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1uch n LEU 23 Cb 0.33 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1uch n LEU 23 CO 0.30 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1uch n GLY 24 N 1.31 1.15 3.72 -0.72 0.00 -0.26 -2.41 105.19 107.98 1uch n GLY 24 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1uch n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uch s LEU 25 N 0.00 4.23 0.55 0.99 2.01 -0.75 0.19 118.68 125.91 1uch s LEU 25 Ca 0.00 0.49 -0.20 0.00 0.01 0.00 0.00 54.13 54.43 1uch s LEU 25 Cb 0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 46.19 43.78 1uch s LEU 25 CO 0.00 0.09 1.22 -1.00 1.01 0.00 0.00 176.35 177.67 1uch s HIS 26 N 0.54 2.49 -0.73 0.29 3.76 0.02 -4.15 115.29 117.51 1uch s HIS 26 Ca 0.16 1.49 -0.05 0.00 -0.15 0.00 0.00 55.06 56.51 1uch s HIS 26 Cb -0.13 -3.51 -0.01 0.00 1.11 0.00 0.00 32.58 30.03 1uch s HIS 26 CO 0.04 -2.16 2.88 -0.35 -0.85 0.00 0.00 174.74 174.30 1uch n PRO 27 N -1.23 3.06 0.06 8.40 -0.04 -1.26 -4.22 135.00 139.76 1uch n PRO 27 Ca 0.12 -2.33 0.12 0.00 -0.04 0.00 0.00 63.50 61.36 1uch n PRO 27 Cb 0.48 -2.32 0.26 0.00 -0.04 0.00 0.00 33.50 31.88 1uch n PRO 27 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1uch n ASN 28 N 1.78 0.65 -4.13 3.54 2.04 -1.26 -4.62 115.26 113.26 1uch n ASN 28 Ca 0.55 0.19 -0.27 0.00 -0.44 0.00 0.00 54.58 54.61 1uch n ASN 28 Cb 0.51 -0.06 -0.16 0.00 -2.53 0.00 0.00 39.78 37.53 1uch n ASN 28 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1uch s TRP 29 N -3.12 1.81 -0.00 -2.53 0.52 -1.26 0.09 118.94 114.45 1uch s TRP 29 Ca 0.08 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.63 1uch s TRP 29 Cb 0.14 -1.23 -0.00 0.00 -1.15 0.00 0.00 33.47 31.22 1uch s TRP 29 CO 0.68 -0.22 -0.04 -0.65 0.02 0.00 0.00 176.95 176.74 1uch s GLN 30 N 0.18 0.34 0.34 4.98 -1.52 0.63 -4.83 119.66 119.79 1uch s GLN 30 Ca -0.08 -0.19 -0.27 0.00 -1.95 0.00 0.00 55.36 52.87 1uch s GLN 30 Cb -0.13 -0.31 -0.09 0.00 -0.22 0.00 0.00 33.01 32.25 1uch s GLN 30 CO 0.03 0.08 1.17 -0.06 -0.25 0.00 0.00 175.29 176.27 1uch s PHE 31 N -0.19 3.25 0.14 0.91 0.08 -1.26 -0.79 117.98 120.13 1uch s PHE 31 Ca 0.01 1.58 0.06 0.00 0.12 0.00 0.00 56.93 58.69 1uch s PHE 31 Cb -0.02 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 1uch s PHE 31 CO -0.00 -1.14 -0.13 0.14 -0.10 0.00 0.00 175.22 173.99 1uch s VAL 32 N -1.27 1.33 0.37 -0.44 -7.23 -0.04 -4.76 120.40 108.35 1uch s VAL 32 Ca 0.51 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.52 1uch s VAL 32 Cb -0.33 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 1uch s VAL 32 CO 0.42 -0.54 1.38 -1.81 -0.31 0.00 0.00 175.10 174.24 1uch s ASP 33 N -2.78 6.49 -0.36 4.85 1.01 -1.26 -1.11 116.67 123.51 1uch s ASP 33 Ca 0.13 2.83 -0.15 0.00 0.71 0.00 0.00 52.55 56.07 1uch s ASP 33 Cb -0.02 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 1uch s ASP 33 CO 0.03 -0.75 0.32 -0.69 0.21 0.00 0.00 175.17 174.29 1uch s VAL 34 N -1.16 5.21 0.05 -1.27 1.01 -0.39 -4.76 120.40 119.10 1uch s VAL 34 Ca 0.52 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.41 1uch s VAL 34 Cb -0.42 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1uch s VAL 34 CO 0.56 -0.15 1.41 1.88 0.00 0.00 0.00 175.10 178.81 1uch h TYR 35 N 8.53 0.00 -2.70 5.22 0.05 -1.86 -3.40 116.97 122.81 1uch h TYR 35 Ca -0.29 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.58 1uch h TYR 35 Cb 1.14 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 1uch h TYR 35 CO 0.65 0.74 0.46 0.20 -1.05 0.00 0.00 178.16 179.16 1uch s GLY 36 N -4.57 0.18 0.10 3.88 0.00 -1.26 -5.02 107.32 100.63 1uch s GLY 36 Ca 0.02 -0.46 0.24 0.00 0.00 0.00 0.00 44.72 44.52 1uch s GLY 36 CO 0.78 1.26 1.25 1.03 0.00 0.00 0.00 173.10 177.41 1uch n MET 37 N -0.62 0.29 -1.58 2.90 2.81 -1.26 -3.99 117.12 115.67 1uch n MET 37 Ca -0.05 0.06 -0.47 0.00 -1.81 0.00 0.00 57.70 55.44 1uch n MET 37 Cb 0.60 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 1uch n MET 37 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1uch n ASP 38 N -2.07 1.32 -0.31 7.83 -0.08 -1.26 -4.71 116.55 117.26 1uch n ASP 38 Ca 0.03 1.16 0.22 0.00 -1.51 0.00 0.00 54.79 54.69 1uch n ASP 38 Cb 0.44 -1.25 0.51 0.00 2.34 0.00 0.00 41.12 43.16 1uch n ASP 38 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uch h PRO 39 N 2.74 0.38 -0.36 -0.67 0.11 -1.97 0.48 132.00 132.72 1uch h PRO 39 Ca -0.41 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1uch h PRO 39 Cb 1.34 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1uch h PRO 39 CO 0.66 0.25 -0.14 0.93 -0.21 0.00 0.00 178.00 179.49 1uch h GLU 40 N 0.39 0.64 0.00 1.05 5.08 -1.96 -1.69 114.58 118.09 1uch h GLU 40 Ca 0.58 -0.21 -0.22 0.00 -1.00 0.00 0.00 59.36 58.51 1uch h GLU 40 Cb 1.47 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 1uch h GLU 40 CO -0.28 0.76 -1.67 1.28 -1.00 0.00 0.00 179.01 178.10 1uch n LEU 41 N -4.17 0.67 -0.13 1.33 4.77 -0.19 -4.16 117.00 115.13 1uch n LEU 41 Ca 0.01 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1uch n LEU 41 Cb 0.36 0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1uch n LEU 41 CO 0.42 0.25 0.67 -0.07 -1.33 0.00 0.00 177.39 177.32 1uch h LEU 42 N 0.00 0.82 -0.72 2.23 3.38 -0.11 -2.77 115.31 118.14 1uch h LEU 42 Ca -0.24 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1uch h LEU 42 Cb 1.75 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1uch h LEU 42 CO 0.05 1.04 0.00 -1.54 0.09 0.00 0.00 178.44 178.08 1uch n SER 43 N -4.27 0.44 0.22 -0.43 3.41 -0.64 -1.58 113.62 110.77 1uch n SER 43 Ca -0.02 0.65 0.15 0.00 -0.26 0.00 0.00 58.87 59.39 1uch n SER 43 Cb 0.41 -0.73 0.54 0.00 -0.26 0.00 0.00 64.21 64.18 1uch n SER 43 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1uch h MET 44 N 0.00 0.00 -6.35 4.33 2.86 -1.65 -3.45 114.93 110.67 1uch h MET 44 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1uch h MET 44 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1uch h MET 44 CO 0.00 0.00 0.71 0.08 1.06 0.00 0.00 176.91 178.76 1uch s VAL 45 N -3.47 4.11 0.31 -2.22 1.01 -0.62 -4.99 120.40 114.54 1uch s VAL 45 Ca 0.04 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.18 1uch s VAL 45 Cb 0.09 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1uch s VAL 45 CO 0.53 0.01 1.45 -2.65 0.00 0.00 0.00 175.10 174.44 1uch n PRO 46 N 5.09 2.40 -4.35 2.72 -0.02 -1.26 -5.02 135.00 134.56 1uch n PRO 46 Ca 0.11 0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 62.19 1uch n PRO 46 Cb 0.46 -2.54 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 1uch n PRO 46 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1uch s ARG 47 N -1.19 2.08 0.70 -0.52 1.81 -1.26 -4.35 118.95 116.22 1uch s ARG 47 Ca 0.60 -1.86 -0.16 0.00 -1.72 0.00 0.00 55.73 52.59 1uch s ARG 47 Cb -0.54 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.09 1uch s ARG 47 CO 0.56 0.03 1.11 -2.30 -0.68 0.00 0.00 175.30 174.02 1uch n PRO 48 N -1.02 0.69 -4.14 3.54 -0.02 -1.26 -4.42 135.00 128.36 1uch n PRO 48 Ca -0.04 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 1uch n PRO 48 Cb 0.64 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 1uch n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uch s VAL 49 N -1.69 4.29 -1.30 -1.45 1.01 -1.26 -0.64 120.40 119.35 1uch s VAL 49 Ca 0.77 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.65 1uch s VAL 49 Cb -0.36 -2.92 0.14 0.00 0.00 0.00 0.00 36.38 33.24 1uch s VAL 49 CO 0.47 0.46 0.94 0.00 0.00 0.00 0.00 175.10 176.97 1uch s ALA 51 N -0.95 -1.94 -0.12 0.00 0.00 -1.25 -4.51 121.76 112.99 1uch s ALA 51 Ca 0.15 1.78 0.03 0.00 0.00 0.00 0.00 51.96 53.92 1uch s ALA 51 Cb 0.10 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 1uch s ALA 51 CO 0.14 -0.27 -0.21 0.08 0.00 0.00 0.00 175.76 175.50 1uch s VAL 52 N -0.21 2.29 -0.20 0.00 1.01 -0.58 0.34 120.40 123.05 1uch s VAL 52 Ca 0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1uch s VAL 52 Cb -0.03 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1uch s VAL 52 CO -0.03 0.55 0.09 -0.76 0.00 0.00 0.00 175.10 174.96 1uch s LEU 53 N 0.46 3.94 -0.19 3.92 1.02 0.32 -0.41 118.68 127.75 1uch s LEU 53 Ca -0.14 0.11 -0.02 0.00 0.02 0.00 0.00 54.13 54.09 1uch s LEU 53 Cb -0.17 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 1uch s LEU 53 CO 0.06 0.15 -0.08 -0.22 0.02 0.00 0.00 176.35 176.27 1uch s LEU 54 N 0.54 2.78 -0.27 1.79 2.96 -0.44 -0.95 118.68 125.08 1uch s LEU 54 Ca 0.05 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 1uch s LEU 54 Cb -0.12 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1uch s LEU 54 CO 0.00 0.05 0.26 -0.22 -1.32 0.00 0.00 176.35 175.12 1uch s LEU 55 N 1.07 4.03 0.16 -0.68 2.96 -0.07 -0.90 118.68 125.25 1uch s LEU 55 Ca 0.00 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1uch s LEU 55 Cb -0.15 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 1uch s LEU 55 CO -0.01 -0.10 0.21 0.72 -1.32 0.00 0.00 176.35 175.85 1uch s PHE 56 N 1.86 0.59 -0.11 5.38 -0.12 -0.12 -1.32 117.98 124.14 1uch s PHE 56 Ca 0.10 -0.95 -0.11 0.00 -0.05 0.00 0.00 56.93 55.92 1uch s PHE 56 Cb -0.16 -0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 1uch s PHE 56 CO 0.10 -0.67 0.24 -1.25 -0.05 0.00 0.00 175.22 173.60 1uch s PRO 57 N -4.01 3.88 -0.83 1.99 0.04 -1.25 -0.04 135.00 134.78 1uch s PRO 57 Ca 0.21 0.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.05 1uch s PRO 57 Cb 0.05 -3.30 0.05 0.00 0.04 0.00 0.00 34.50 31.34 1uch s PRO 57 CO 0.02 0.54 1.28 0.42 0.04 0.00 0.00 177.00 179.30 1uch s ILE 58 N -0.43 3.94 0.35 0.56 1.01 0.23 -4.88 121.20 121.99 1uch s ILE 58 Ca 0.17 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.67 1uch s ILE 58 Cb -0.13 -4.92 -0.01 0.00 0.01 0.00 0.00 42.46 37.40 1uch s ILE 58 CO 0.05 -1.81 0.42 0.42 0.00 0.00 0.00 174.94 174.03 1uch s THR 59 N 5.04 3.68 0.22 2.92 -4.23 -1.26 -4.89 115.64 117.12 1uch s THR 59 Ca 0.37 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.67 1uch s THR 59 Cb -0.06 -3.26 0.17 0.00 1.34 0.00 0.00 72.50 70.69 1uch s THR 59 CO 0.04 -0.13 1.73 -0.33 -0.54 0.00 0.00 174.62 175.39 1uch h GLU 60 N 0.98 0.38 -0.39 3.99 5.08 -1.98 0.28 114.58 122.91 1uch h GLU 60 Ca -0.44 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1uch h GLU 60 Cb 1.26 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1uch h GLU 60 CO 0.54 0.25 0.20 -0.22 -1.00 0.00 0.00 179.01 178.78 1uch h LYS 61 N 0.39 0.39 -0.22 2.33 3.64 -1.96 -0.48 116.57 120.66 1uch h LYS 61 Ca 0.34 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1uch h LYS 61 Cb 0.48 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1uch h LYS 61 CO -0.36 0.26 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.15 1uch h TYR 62 N 0.40 -0.04 -0.32 1.91 3.20 -1.64 -3.03 116.97 117.47 1uch h TYR 62 Ca 0.17 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1uch h TYR 62 Cb 0.07 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1uch h TYR 62 CO -0.10 -0.05 0.04 0.93 -1.64 0.00 0.00 178.16 177.34 1uch h GLU 63 N 0.05 0.47 -0.32 1.82 4.39 0.67 -0.64 114.58 121.02 1uch h GLU 63 Ca 0.10 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.55 1uch h GLU 63 Cb 0.14 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1uch h GLU 63 CO -0.19 0.47 -0.50 -0.39 -1.16 0.00 0.00 179.01 177.24 1uch h VAL 64 N 0.46 1.27 -0.25 3.13 -1.51 -1.08 -2.33 116.25 115.95 1uch h VAL 64 Ca 0.11 -1.68 -0.00 0.00 -1.23 0.00 0.00 66.70 63.89 1uch h VAL 64 Cb 0.24 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 1uch h VAL 64 CO 0.00 0.55 0.14 0.15 -1.23 0.00 0.00 177.57 177.18 1uch h PHE 65 N 0.69 0.34 -0.66 5.19 3.04 -1.25 -1.37 116.94 122.91 1uch h PHE 65 Ca 0.03 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.07 1uch h PHE 65 Cb 1.10 -0.11 -0.08 0.00 2.56 0.00 0.00 35.95 39.43 1uch h PHE 65 CO 0.07 0.28 0.27 -0.09 -2.02 0.00 0.00 178.31 176.82 1uch h ARG 66 N 0.30 0.45 -0.48 1.11 2.43 -1.06 0.91 114.38 118.04 1uch h ARG 66 Ca 0.09 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1uch h ARG 66 Cb 0.05 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1uch h ARG 66 CO -0.01 0.30 -0.16 1.15 -1.51 0.00 0.00 179.97 179.74 1uch h THR 67 N 0.47 1.27 -0.32 0.20 2.02 -1.07 -0.63 112.91 114.85 1uch h THR 67 Ca 0.33 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.22 1uch h THR 67 Cb 0.41 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1uch h THR 67 CO -0.31 0.45 0.20 -0.33 0.37 0.00 0.00 175.52 175.90 1uch h GLU 68 N 0.82 0.40 -0.99 6.66 5.08 -0.82 -0.78 114.58 124.95 1uch h GLU 68 Ca 0.12 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1uch h GLU 68 Cb 0.71 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1uch h GLU 68 CO 0.05 0.27 0.65 1.49 -1.00 0.00 0.00 179.01 180.47 1uch h GLU 69 N 0.41 1.21 -0.40 2.33 4.81 -0.52 0.21 114.58 122.64 1uch h GLU 69 Ca 0.12 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1uch h GLU 69 Cb -0.03 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 1uch h GLU 69 CO -0.04 0.80 -0.08 1.49 -0.73 0.00 0.00 179.01 180.45 1uch h GLU 70 N 1.24 0.76 -0.49 1.92 4.81 -0.77 -1.81 114.58 120.25 1uch h GLU 70 Ca 0.40 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1uch h GLU 70 Cb 0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1uch h GLU 70 CO -0.13 0.89 0.09 0.93 -0.73 0.00 0.00 179.01 180.06 1uch h GLU 71 N 0.57 0.80 -0.77 1.92 5.08 -0.49 -1.09 114.58 120.60 1uch h GLU 71 Ca 0.10 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1uch h GLU 71 Cb 0.60 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1uch h GLU 71 CO 0.04 0.80 0.32 -0.22 -1.00 0.00 0.00 179.01 178.94 1uch h LYS 72 N 0.68 1.13 -0.02 2.33 3.64 -0.54 -1.28 116.57 122.51 1uch h LYS 72 Ca 0.15 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1uch h LYS 72 Cb 0.37 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1uch h LYS 72 CO 0.01 0.91 -0.74 0.82 -2.27 0.00 0.00 179.45 178.17 1uch h ILE 73 N 1.11 1.48 -0.04 2.00 2.04 -1.13 -0.21 117.51 122.76 1uch h ILE 73 Ca 0.26 -2.38 -0.10 0.00 1.00 0.00 0.00 64.86 63.64 1uch h ILE 73 Cb 0.19 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1uch h ILE 73 CO -0.02 0.69 -0.43 0.11 0.00 0.00 0.00 178.15 178.49 1uch h LYS 74 N 0.08 0.09 -0.01 2.37 1.57 -0.85 0.41 116.57 120.23 1uch h LYS 74 Ca -0.02 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1uch h LYS 74 Cb 1.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1uch h LYS 74 CO 0.11 0.51 -0.19 1.03 -0.57 0.00 0.00 179.45 180.34 1uch h SER 75 N 0.07 0.18 -0.01 0.86 0.87 -1.06 -3.39 113.55 111.06 1uch h SER 75 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1uch h SER 75 Cb 0.80 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1uch h SER 75 CO 0.06 0.90 -0.17 0.00 -0.53 0.00 0.00 176.83 177.10 1uch n GLN 76 N -4.56 1.51 -0.90 2.24 10.64 -0.10 -5.10 117.38 121.10 1uch n GLN 76 Ca -0.09 -0.95 0.12 0.00 -1.83 0.00 0.00 57.00 54.25 1uch n GLN 76 Cb 0.46 -1.21 -0.04 0.00 -0.86 0.00 0.00 30.24 28.59 1uch n GLN 76 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1uch n GLY 77 N 0.93 -2.28 3.45 2.61 0.00 0.14 -5.02 105.19 105.02 1uch n GLY 77 Ca 0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1uch n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uch s GLN 78 N -2.63 1.22 -0.20 1.61 -2.07 -1.26 -4.83 119.66 111.49 1uch s GLN 78 Ca 0.00 -0.46 -0.18 0.00 -1.82 0.00 0.00 55.36 52.91 1uch s GLN 78 Cb 0.00 0.55 -0.03 0.00 -1.09 0.00 0.00 33.01 32.44 1uch s GLN 78 CO 0.00 -0.53 0.48 -0.51 -1.32 0.00 0.00 175.29 173.40 1uch s ASP 79 N -2.71 6.52 -0.28 12.60 1.01 -1.26 -5.04 116.67 127.51 1uch s ASP 79 Ca 0.02 0.62 0.03 0.00 0.71 0.00 0.00 52.55 53.93 1uch s ASP 79 Cb -0.01 -2.27 0.07 0.00 1.01 0.00 0.00 42.92 41.72 1uch s ASP 79 CO -0.12 -0.14 -0.05 -0.69 0.21 0.00 0.00 175.17 174.38 1uch s VAL 80 N 1.50 1.99 0.40 -1.27 1.01 -1.26 -4.66 120.40 118.12 1uch s VAL 80 Ca 0.22 -1.71 -0.25 0.00 0.00 0.00 0.00 61.98 60.24 1uch s VAL 80 Cb -0.15 -2.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.87 1uch s VAL 80 CO 0.09 -0.22 1.11 1.07 0.00 0.00 0.00 175.10 177.16 1uch n THR 81 N 4.46 2.38 0.29 3.92 5.66 -1.26 -4.87 114.28 124.85 1uch n THR 81 Ca -0.09 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.56 1uch n THR 81 Cb 0.42 -1.30 0.71 0.00 -1.55 0.00 0.00 70.33 68.61 1uch n THR 81 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1uch h SER 82 N 1.85 0.00 0.22 1.09 4.64 -2.02 -2.14 113.55 117.20 1uch h SER 82 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1uch h SER 82 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1uch h SER 82 CO 0.59 0.00 -0.14 0.28 -0.87 0.00 0.00 176.83 176.68 1uch h SER 83 N 0.00 0.00 -2.62 4.97 0.02 -2.01 -3.44 113.55 110.47 1uch h SER 83 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1uch h SER 83 Cb 0.21 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.77 1uch h SER 83 CO 0.00 0.14 1.05 -0.69 -1.14 0.00 0.00 176.83 176.20 1uch s VAL 84 N -4.50 3.09 -0.40 2.27 1.01 -0.81 -4.96 120.40 116.10 1uch s VAL 84 Ca -0.04 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 1uch s VAL 84 Cb 0.15 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1uch s VAL 84 CO 0.65 -0.01 0.65 -0.47 0.00 0.00 0.00 175.10 175.91 1uch s TYR 85 N 3.12 3.10 -0.00 5.22 6.14 -1.26 -5.04 117.35 128.63 1uch s TYR 85 Ca 0.76 0.16 0.08 0.00 0.64 0.00 0.00 57.07 58.72 1uch s TYR 85 Cb -0.40 -3.26 -0.02 0.00 0.42 0.00 0.00 41.96 38.70 1uch s TYR 85 CO 0.33 -0.75 -0.26 0.12 0.64 0.00 0.00 175.55 175.63 1uch s PHE 86 N 2.79 2.34 -0.04 4.97 5.36 -1.26 -4.84 117.98 127.29 1uch s PHE 86 Ca 0.24 -0.43 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 1uch s PHE 86 Cb -0.14 -1.47 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 1uch s PHE 86 CO 0.17 0.01 -0.09 1.41 -1.46 0.00 0.00 175.22 175.26 1uch s MET 87 N -0.80 1.20 0.58 10.12 -2.45 -1.26 -3.96 119.30 122.73 1uch s MET 87 Ca 0.11 -0.31 -0.17 0.00 -1.25 0.00 0.00 55.69 54.07 1uch s MET 87 Cb -0.10 -1.08 -0.04 0.00 1.25 0.00 0.00 34.83 34.86 1uch s MET 87 CO -0.00 0.05 1.07 0.15 1.05 0.00 0.00 175.02 177.34 1uch s LYS 88 N 0.49 3.32 -0.18 4.11 -0.14 -0.75 -4.14 119.74 122.44 1uch s LYS 88 Ca -0.09 1.32 -0.10 0.00 -1.36 0.00 0.00 55.97 55.74 1uch s LYS 88 Cb -0.12 -2.03 -0.05 0.00 -1.68 0.00 0.00 37.83 33.95 1uch s LYS 88 CO 0.02 -0.82 0.16 -1.14 -0.76 0.00 0.00 175.35 172.80 1uch s GLN 89 N -3.83 4.09 -0.01 1.68 0.74 -0.06 -4.39 119.66 117.89 1uch s GLN 89 Ca 0.66 -0.16 0.02 0.00 0.05 0.00 0.00 55.36 55.93 1uch s GLN 89 Cb -0.18 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1uch s GLN 89 CO 0.33 0.37 0.05 0.25 -0.55 0.00 0.00 175.29 175.74 1uch n THR 90 N 3.28 0.02 -4.41 -0.34 -2.24 -1.26 -4.75 114.28 104.58 1uch n THR 90 Ca -0.16 -0.06 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 1uch n THR 90 Cb 0.52 0.30 -0.17 0.00 -2.10 0.00 0.00 70.33 68.89 1uch n THR 90 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1uch s ILE 91 N -2.16 1.45 0.21 2.28 1.01 -1.26 -5.05 121.20 117.69 1uch s ILE 91 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1uch s ILE 91 Cb 0.01 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 1uch s ILE 91 CO 0.10 0.43 1.58 0.77 0.00 0.00 0.00 174.94 177.83 1uch h SER 92 N 7.46 0.65 0.24 3.58 4.64 -2.01 -1.35 113.55 126.75 1uch h SER 92 Ca -0.31 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1uch h SER 92 Cb 1.17 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1uch h SER 92 CO 0.49 0.97 0.00 0.59 -0.87 0.00 0.00 176.83 178.00 1uch n ASN 93 N -4.04 0.26 -0.10 4.97 3.02 -1.26 -1.44 115.26 116.67 1uch n ASN 93 Ca -0.02 0.60 0.14 0.00 -0.03 0.00 0.00 54.58 55.27 1uch n ASN 93 Cb 0.51 -0.64 0.59 0.00 -0.61 0.00 0.00 39.78 39.63 1uch n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uch n ALA 94 N -1.62 2.78 -0.00 5.41 0.00 -0.51 -4.43 120.51 122.14 1uch n ALA 94 Ca 0.01 -0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.25 1uch n ALA 94 Cb 0.09 -1.33 0.46 0.00 0.00 0.00 0.00 19.45 18.67 1uch n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uch h GLY 96 N 0.48 0.34 1.00 0.00 0.00 -1.79 0.11 103.07 103.21 1uch h GLY 96 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1uch h GLY 96 CO -0.04 0.26 0.65 -0.84 0.00 0.00 0.00 176.54 176.57 1uch h THR 97 N 0.01 1.24 -0.56 4.70 2.02 -1.63 -1.28 112.91 117.41 1uch h THR 97 Ca 0.04 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 1uch h THR 97 Cb 0.49 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1uch h THR 97 CO 0.02 0.24 0.07 0.40 0.37 0.00 0.00 175.52 176.62 1uch h ILE 98 N 1.32 1.25 -0.77 3.11 2.04 -0.75 -0.75 117.51 122.96 1uch h ILE 98 Ca 0.36 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1uch h ILE 98 Cb -0.14 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1uch h ILE 98 CO -0.08 0.36 0.33 1.23 0.00 0.00 0.00 178.15 179.99 1uch h GLY 99 N 1.01 1.21 0.89 5.37 0.00 -0.09 0.18 103.07 111.63 1uch h GLY 99 Ca 0.17 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1uch h GLY 99 CO 0.01 0.59 0.04 -2.00 0.00 0.00 0.00 176.54 175.18 1uch h LEU 100 N 1.11 0.49 -0.63 3.11 5.85 -0.81 -0.87 115.31 123.55 1uch h LEU 100 Ca 0.26 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1uch h LEU 100 Cb 0.17 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1uch h LEU 100 CO -0.03 0.64 0.41 0.40 -0.34 0.00 0.00 178.44 179.52 1uch h ILE 101 N 0.32 1.13 -0.55 4.05 2.04 -0.84 -0.55 117.51 123.11 1uch h ILE 101 Ca 0.09 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1uch h ILE 101 Cb 0.37 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1uch h ILE 101 CO 0.01 0.15 0.35 0.45 0.00 0.00 0.00 178.15 179.11 1uch h HIS 102 N 0.82 0.71 -0.47 1.37 3.86 -0.73 0.35 115.15 121.06 1uch h HIS 102 Ca 0.24 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1uch h HIS 102 Cb -0.05 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 1uch h HIS 102 CO -0.04 0.47 0.22 0.00 0.86 0.00 0.00 177.93 179.44 1uch h ALA 103 N 1.18 0.61 0.02 2.45 0.00 -0.46 -2.36 119.26 120.70 1uch h ALA 103 Ca 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1uch h ALA 103 Cb -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1uch h ALA 103 CO -0.04 0.18 -0.31 0.82 0.00 0.00 0.00 179.25 179.90 1uch h ILE 104 N 0.62 1.59 -0.94 0.00 1.08 -0.87 -3.17 117.51 115.81 1uch h ILE 104 Ca 0.16 -2.13 0.16 0.00 -0.39 0.00 0.00 64.86 62.67 1uch h ILE 104 Cb 0.13 2.96 -0.08 0.00 -3.07 0.00 0.00 36.82 36.75 1uch h ILE 104 CO -0.02 0.58 0.60 0.00 -0.69 0.00 0.00 178.15 178.62 1uch h ALA 105 N 0.18 1.81 -0.30 1.87 0.00 -0.37 0.11 119.26 122.55 1uch h ALA 105 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uch h ALA 105 Cb 1.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1uch h ALA 105 CO 0.06 -0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1uch n ASN 106 N -4.61 1.84 -0.74 0.00 3.02 -0.89 -3.51 115.26 110.37 1uch n ASN 106 Ca 0.20 -1.92 0.02 0.00 -0.03 0.00 0.00 54.58 52.85 1uch n ASN 106 Cb 0.52 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1uch n ASN 106 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uch n ASN 107 N 0.48 0.48 -0.28 6.41 3.02 -0.20 -4.91 115.26 120.27 1uch n ASN 107 Ca 0.13 -2.13 0.17 0.00 -0.03 0.00 0.00 54.58 52.72 1uch n ASN 107 Cb 0.31 -0.25 0.45 0.00 -0.61 0.00 0.00 39.78 39.68 1uch n ASN 107 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1uch h LYS 108 N 0.30 0.50 0.00 3.52 3.64 -1.09 0.25 116.57 123.69 1uch h LYS 108 Ca -0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1uch h LYS 108 Cb 1.49 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1uch h LYS 108 CO 0.03 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.29 1uch n ASP 109 N -4.58 0.00 0.01 4.20 8.00 -1.26 -2.16 116.55 120.76 1uch n ASP 109 Ca 0.21 -0.40 0.11 0.00 0.71 0.00 0.00 54.79 55.41 1uch n ASP 109 Cb 0.66 -0.19 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1uch n ASP 109 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1uch n LYS 110 N -1.19 0.19 -3.44 -1.24 5.02 0.88 -4.99 118.16 113.39 1uch n LYS 110 Ca 0.17 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 1uch n LYS 110 Cb 0.19 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1uch n LYS 110 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1uch s MET 111 N -3.13 3.56 -0.40 1.97 -1.94 -0.92 -4.94 119.30 113.49 1uch s MET 111 Ca 0.05 -0.19 0.01 0.00 -1.71 0.00 0.00 55.69 53.86 1uch s MET 111 Cb 0.15 -2.70 0.11 0.00 2.01 0.00 0.00 34.83 34.40 1uch s MET 111 CO 0.80 0.24 0.16 -1.58 -0.01 0.00 0.00 175.02 174.63 1uch s HIS 112 N -2.10 3.62 0.03 -0.03 2.46 -1.26 -5.03 115.29 112.97 1uch s HIS 112 Ca 0.41 -2.80 -0.28 0.00 0.47 0.00 0.00 55.06 52.87 1uch s HIS 112 Cb -0.10 -3.04 -0.04 0.00 -0.13 0.00 0.00 32.58 29.26 1uch s HIS 112 CO 0.32 -0.93 0.88 -0.06 -2.47 0.00 0.00 174.74 172.47 1uch s PHE 113 N 0.79 3.70 0.73 3.88 0.08 -1.26 -0.80 117.98 125.11 1uch s PHE 113 Ca 0.11 1.59 -0.15 0.00 0.12 0.00 0.00 56.93 58.60 1uch s PHE 113 Cb -0.21 -2.98 0.04 0.00 -0.57 0.00 0.00 43.02 39.30 1uch s PHE 113 CO -0.05 0.13 1.23 -1.21 -0.10 0.00 0.00 175.22 175.21 1uch s GLU 114 N 0.45 2.08 0.17 0.44 2.02 0.13 -4.91 118.70 119.08 1uch s GLU 114 Ca 0.45 1.83 -0.15 0.00 0.02 0.00 0.00 54.97 57.12 1uch s GLU 114 Cb -0.21 -1.82 0.08 0.00 0.10 0.00 0.00 34.13 32.29 1uch s GLU 114 CO 0.26 -1.90 1.79 0.77 0.02 0.00 0.00 175.26 176.20 1uch h SER 115 N -0.28 0.37 -0.31 -0.19 0.02 -1.98 -1.02 113.55 110.16 1uch h SER 115 Ca -0.48 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 1uch h SER 115 Cb 1.31 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1uch h SER 115 CO 0.49 0.26 0.08 0.61 -1.14 0.00 0.00 176.83 177.13 1uch n GLY 116 N -1.23 2.42 3.67 -3.77 0.00 -1.26 -4.96 105.19 100.06 1uch n GLY 116 Ca 0.03 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 1uch n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uch n SER 117 N 0.15 3.96 -0.14 1.61 2.88 -0.39 -4.89 113.62 116.80 1uch n SER 117 Ca 0.16 0.93 -0.08 0.00 -1.33 0.00 0.00 58.87 58.55 1uch n SER 117 Cb 0.77 -1.48 0.07 0.00 -0.75 0.00 0.00 64.21 62.82 1uch n SER 117 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1uch h THR 118 N 5.53 1.26 -0.61 2.46 1.35 -1.81 -2.41 112.91 118.69 1uch h THR 118 Ca -0.49 -1.22 -0.08 0.00 -0.55 0.00 0.00 66.41 64.07 1uch h THR 118 Cb 1.25 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 1uch h THR 118 CO 0.94 0.42 0.06 0.25 -0.25 0.00 0.00 175.52 176.95 1uch h LEU 119 N 0.81 1.00 -0.65 3.87 5.85 -1.82 -1.66 115.31 122.71 1uch h LEU 119 Ca 0.13 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1uch h LEU 119 Cb 0.63 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1uch h LEU 119 CO 0.04 1.03 0.34 0.50 -0.34 0.00 0.00 178.44 180.01 1uch h LYS 120 N 0.94 0.61 -0.57 1.25 3.64 -1.72 -0.30 116.57 120.41 1uch h LYS 120 Ca 0.18 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1uch h LYS 120 Cb 0.48 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1uch h LYS 120 CO 0.02 0.40 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.32 1uch h LYS 121 N 0.62 1.06 -0.61 1.90 3.64 -1.29 -1.44 116.57 120.45 1uch h LYS 121 Ca 0.30 -0.37 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1uch h LYS 121 Cb 0.22 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1uch h LYS 121 CO -0.20 1.07 0.39 0.35 -2.27 0.00 0.00 179.45 178.78 1uch h PHE 122 N 0.94 0.73 -0.51 1.91 3.57 -0.53 -1.36 116.94 121.69 1uch h PHE 122 Ca 0.16 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1uch h PHE 122 Cb 0.63 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1uch h PHE 122 CO 0.04 0.43 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.48 1uch h LEU 123 N 0.77 0.89 -0.40 0.59 3.38 -0.78 -0.90 115.31 118.86 1uch h LEU 123 Ca 0.24 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 1uch h LEU 123 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1uch h LEU 123 CO -0.08 0.98 -0.78 1.05 0.09 0.00 0.00 178.44 179.71 1uch h GLU 124 N 0.77 0.28 -0.07 1.13 4.11 -1.22 -2.70 114.58 116.87 1uch h GLU 124 Ca 0.14 -0.25 -0.09 0.00 0.07 0.00 0.00 59.36 59.23 1uch h GLU 124 Cb 0.53 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1uch h GLU 124 CO 0.03 0.92 -0.38 0.93 0.07 0.00 0.00 179.01 180.58 1uch h GLU 125 N 0.18 0.16 -0.60 1.06 4.39 -1.17 -3.20 114.58 115.39 1uch h GLU 125 Ca -0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1uch h GLU 125 Cb 1.36 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1uch h GLU 125 CO 0.12 0.52 0.00 -1.13 -1.16 0.00 0.00 179.01 177.36 1uch n SER 126 N -4.06 5.11 0.21 1.42 3.41 -0.35 -4.58 113.62 114.79 1uch n SER 126 Ca -0.01 -2.67 0.06 0.00 -0.26 0.00 0.00 58.87 55.98 1uch n SER 126 Cb 0.44 -0.62 0.47 0.00 -0.26 0.00 0.00 64.21 64.25 1uch n SER 126 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1uch h VAL 127 N 3.91 0.97 0.00 -3.33 3.04 -1.48 -2.96 116.25 116.40 1uch h VAL 127 Ca 0.00 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 1uch h VAL 127 Cb 1.67 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 1uch h VAL 127 CO 0.34 0.28 0.00 -1.20 -1.01 0.00 0.00 177.57 175.98 1uch n SER 128 N -3.87 1.70 -4.81 3.17 7.64 -1.26 -5.02 113.62 111.17 1uch n SER 128 Ca -0.02 -1.70 -0.31 0.00 1.01 0.00 0.00 58.87 57.86 1uch n SER 128 Cb 0.37 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.63 1uch n SER 128 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1uch s MET 129 N -0.70 2.78 0.66 1.43 -1.94 -1.12 -5.05 119.30 115.35 1uch s MET 129 Ca 0.00 0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 54.83 1uch s MET 129 Cb 0.00 -1.97 -0.01 0.00 2.01 0.00 0.00 34.83 34.86 1uch s MET 129 CO 0.00 -1.22 1.05 -1.54 -0.01 0.00 0.00 175.02 173.30 1uch s SER 130 N -3.74 5.72 0.34 3.03 1.04 -1.26 -4.82 113.70 114.01 1uch s SER 130 Ca 0.59 1.58 0.13 0.00 0.48 0.00 0.00 55.95 58.72 1uch s SER 130 Cb -0.15 -2.49 1.01 0.00 0.10 0.00 0.00 66.02 64.49 1uch s SER 130 CO 0.55 -1.22 1.70 -0.65 0.98 0.00 0.00 173.24 174.60 1uch h PRO 131 N -0.43 0.43 -0.23 4.02 0.11 -1.98 0.26 132.00 134.18 1uch h PRO 131 Ca -0.44 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1uch h PRO 131 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1uch h PRO 131 CO 0.59 0.28 -0.33 0.93 -0.21 0.00 0.00 178.00 179.26 1uch h GLU 132 N 0.44 0.63 -0.67 1.05 3.07 -1.92 -1.96 114.58 115.22 1uch h GLU 132 Ca 0.69 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 1uch h GLU 132 Cb 1.49 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.40 1uch h GLU 132 CO -0.52 0.98 0.28 0.93 -1.40 0.00 0.00 179.01 179.28 1uch h GLU 133 N 0.33 0.97 -0.33 2.33 5.08 -0.98 -2.57 114.58 119.41 1uch h GLU 133 Ca 0.02 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1uch h GLU 133 Cb 0.91 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1uch h GLU 133 CO 0.08 0.78 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 1uch h ARG 134 N 0.96 0.51 -0.46 2.33 3.08 -0.73 0.12 114.38 120.19 1uch h ARG 134 Ca 0.23 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 1uch h ARG 134 Cb 0.16 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1uch h ARG 134 CO -0.02 0.53 -0.24 0.00 -1.07 0.00 0.00 179.97 179.17 1uch h ALA 135 N 1.52 0.65 -0.37 0.04 0.00 -1.28 0.79 119.26 120.61 1uch h ALA 135 Ca 0.11 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1uch h ALA 135 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1uch h ALA 135 CO 0.01 0.65 0.00 -0.09 0.00 0.00 0.00 179.25 179.83 1uch h ARG 136 N 0.82 0.65 -0.06 0.00 2.43 -0.91 -1.67 114.38 115.64 1uch h ARG 136 Ca 0.10 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1uch h ARG 136 Cb 0.82 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1uch h ARG 136 CO 0.07 0.75 0.04 -0.92 -1.51 0.00 0.00 179.97 178.40 1uch h TYR 137 N 0.47 0.08 -0.64 2.20 3.20 -0.66 -1.96 116.97 119.66 1uch h TYR 137 Ca 0.11 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.09 1uch h TYR 137 Cb 0.46 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 1uch h TYR 137 CO 0.04 0.08 0.22 1.25 -1.64 0.00 0.00 178.16 178.10 1uch h LEU 138 N 0.05 0.17 -0.69 2.82 5.85 -0.75 0.46 115.31 123.22 1uch h LEU 138 Ca 0.02 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1uch h LEU 138 Cb 0.03 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1uch h LEU 138 CO -0.00 0.09 0.34 -0.33 -0.34 0.00 0.00 178.44 178.20 1uch h GLU 139 N 0.38 0.57 -0.13 1.25 5.08 -1.16 -2.85 114.58 117.72 1uch h GLU 139 Ca 0.33 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1uch h GLU 139 Cb 0.46 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1uch h GLU 139 CO -0.36 0.38 -0.64 -0.91 -1.00 0.00 0.00 179.01 176.48 1uch h ASN 140 N 0.59 0.55 -0.91 1.42 2.35 0.22 -3.42 115.58 116.37 1uch h ASN 140 Ca 0.34 -0.32 -0.46 0.00 -0.55 0.00 0.00 56.30 55.31 1uch h ASN 140 Cb 0.35 -0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.49 1uch h ASN 140 CO -0.26 1.05 1.17 -0.47 -1.65 0.00 0.00 177.43 177.27 1uch s TYR 141 N -3.81 2.20 0.42 1.19 5.04 0.13 -4.84 117.35 117.69 1uch s TYR 141 Ca -0.07 -0.18 0.09 0.00 -2.44 0.00 0.00 57.07 54.47 1uch s TYR 141 Cb 0.11 -4.39 0.92 0.00 0.35 0.00 0.00 41.96 38.94 1uch s TYR 141 CO 0.84 -1.83 2.06 -0.44 -1.34 0.00 0.00 175.55 174.84 1uch h ASP 142 N 10.37 0.41 -0.10 4.32 3.32 -1.83 -2.85 116.42 130.07 1uch h ASP 142 Ca 0.16 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1uch h ASP 142 Cb 1.00 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1uch h ASP 142 CO 1.33 0.29 0.08 0.00 -1.72 0.00 0.00 179.24 179.22 1uch h ALA 143 N 1.76 1.94 -1.44 3.45 0.00 -1.95 -3.32 119.26 119.71 1uch h ALA 143 Ca 0.15 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.36 1uch h ALA 143 Cb 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 1uch h ALA 143 CO -0.03 -0.13 1.51 0.42 0.00 0.00 0.00 179.25 181.01 1uch s ILE 144 N -4.91 4.60 -0.05 0.00 1.01 -1.08 -4.89 121.20 115.88 1uch s ILE 144 Ca -0.05 -2.02 -0.03 0.00 0.00 0.00 0.00 60.65 58.55 1uch s ILE 144 Cb 0.17 -4.98 0.03 0.00 0.01 0.00 0.00 42.46 37.68 1uch s ILE 144 CO 0.64 -1.75 0.12 -0.60 0.00 0.00 0.00 174.94 173.35 1uch s ARG 145 N 2.90 0.08 0.00 2.79 6.06 -1.25 -4.88 118.95 124.66 1uch s ARG 145 Ca 0.44 0.29 0.00 0.00 -2.50 0.00 0.00 55.73 53.96 1uch s ARG 145 Cb -0.01 -0.13 0.00 0.00 0.06 0.00 0.00 34.95 34.87 1uch s ARG 145 CO -0.01 -0.13 0.06 1.33 -2.50 0.00 0.00 175.30 174.06 1uch n VAL 146 N 3.89 0.00 0.00 7.11 0.24 0.10 -5.03 118.33 124.64 1uch n VAL 146 Ca -0.23 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1uch n VAL 146 Cb 0.53 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 1uch n VAL 146 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1uch n ASP 167 N -0.28 0.00 -4.75 -1.34 -0.08 -1.26 -4.74 116.55 104.10 1uch n ASP 167 Ca 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 1uch n ASP 167 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1uch n ASP 167 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1uch s LEU 168 N 0.00 4.62 -0.01 -2.67 1.02 -1.26 0.77 118.68 121.15 1uch s LEU 168 Ca 0.00 1.99 -0.02 0.00 0.02 0.00 0.00 54.13 56.12 1uch s LEU 168 Cb 0.00 -3.61 -0.00 0.00 0.02 0.00 0.00 46.19 42.60 1uch s LEU 168 CO 0.00 0.09 0.04 -2.28 0.02 0.00 0.00 176.35 174.23 1uch s HIS 169 N -1.10 0.05 -0.10 0.29 2.46 0.94 -4.90 115.29 112.94 1uch s HIS 169 Ca 0.42 -0.10 -0.04 0.00 0.47 0.00 0.00 55.06 55.81 1uch s HIS 169 Cb -0.27 -0.05 -0.04 0.00 -0.13 0.00 0.00 32.58 32.09 1uch s HIS 169 CO 0.33 -0.12 0.07 -0.06 -2.47 0.00 0.00 174.74 172.50 1uch s PHE 170 N -0.64 3.38 0.21 3.88 0.08 -1.26 -0.94 117.98 122.68 1uch s PHE 170 Ca -0.07 0.35 0.09 0.00 0.12 0.00 0.00 56.93 57.42 1uch s PHE 170 Cb -0.04 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1uch s PHE 170 CO -0.00 0.60 -0.16 0.96 -0.10 0.00 0.00 175.22 176.52 1uch s ILE 171 N -0.97 1.88 -0.08 0.64 -4.36 -0.08 -4.84 121.20 113.39 1uch s ILE 171 Ca 0.15 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1uch s ILE 171 Cb -0.12 -2.04 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 1uch s ILE 171 CO 0.04 -0.49 -0.08 0.00 0.24 0.00 0.00 174.94 174.65 1uch s ALA 172 N -2.66 2.93 -0.19 2.27 0.00 -0.88 -1.32 121.76 121.91 1uch s ALA 172 Ca 0.22 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1uch s ALA 172 Cb -0.03 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.89 1uch s ALA 172 CO 0.08 0.52 -0.18 -0.51 0.00 0.00 0.00 175.76 175.67 1uch s LEU 173 N -0.64 2.23 0.07 0.00 1.43 0.45 -0.17 118.68 122.04 1uch s LEU 173 Ca 0.10 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1uch s LEU 173 Cb -0.11 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1uch s LEU 173 CO 0.02 -0.03 -0.05 0.68 0.23 0.00 0.00 176.35 177.20 1uch s VAL 174 N 1.29 0.44 -0.30 -1.59 -7.23 -0.77 -1.53 120.40 110.71 1uch s VAL 174 Ca 0.03 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 1uch s VAL 174 Cb -0.14 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 1uch s VAL 174 CO -0.12 -0.82 0.19 -2.28 -0.31 0.00 0.00 175.10 171.76 1uch s HIS 175 N -3.24 3.20 -0.07 2.82 2.46 -1.26 -1.03 115.29 118.17 1uch s HIS 175 Ca 0.05 -0.15 0.01 0.00 0.47 0.00 0.00 55.06 55.44 1uch s HIS 175 Cb 0.03 -2.39 0.02 0.00 -0.13 0.00 0.00 32.58 30.11 1uch s HIS 175 CO -0.06 -0.29 -0.07 0.08 -2.47 0.00 0.00 174.74 171.93 1uch s VAL 176 N 1.71 0.82 -1.50 0.89 1.01 -0.28 -4.89 120.40 118.16 1uch s VAL 176 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1uch s VAL 176 Cb -0.16 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1uch s VAL 176 CO 0.09 0.30 0.24 0.47 0.00 0.00 0.00 175.10 176.21 1uch n ASP 177 N 4.30 0.12 0.00 3.32 8.00 -1.26 -1.18 116.55 129.85 1uch n ASP 177 Ca -0.19 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1uch n ASP 177 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.30 1uch n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uch n GLY 178 N -2.22 0.85 3.17 0.44 0.00 -1.26 -5.00 105.19 101.17 1uch n GLY 178 Ca -0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1uch n GLY 178 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1uch s HIS 179 N -3.34 1.22 -0.30 1.61 3.76 -0.32 -1.21 115.29 116.71 1uch s HIS 179 Ca 0.00 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.23 1uch s HIS 179 Cb 0.00 -0.69 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 1uch s HIS 179 CO 0.00 0.06 0.80 -1.17 -0.85 0.00 0.00 174.74 173.57 1uch s LEU 180 N -1.67 4.08 -0.16 0.89 2.96 0.95 -1.13 118.68 124.60 1uch s LEU 180 Ca -0.02 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 1uch s LEU 180 Cb -0.10 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 1uch s LEU 180 CO 0.02 -0.61 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.08 1uch s TYR 181 N 2.95 2.96 -0.22 5.38 2.02 -0.20 0.11 117.35 130.35 1uch s TYR 181 Ca 0.33 -0.51 -0.21 0.00 -0.37 0.00 0.00 57.07 56.31 1uch s TYR 181 Cb -0.14 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1uch s TYR 181 CO 0.12 -0.18 0.67 -2.00 -1.57 0.00 0.00 175.55 172.58 1uch s GLU 182 N 0.59 4.17 -0.37 -0.62 2.12 -0.13 -1.85 118.70 122.61 1uch s GLU 182 Ca -0.04 0.65 -0.08 0.00 0.36 0.00 0.00 54.97 55.86 1uch s GLU 182 Cb -0.15 -3.61 0.05 0.00 0.26 0.00 0.00 34.13 30.68 1uch s GLU 182 CO 0.03 -0.35 0.18 -0.51 -0.54 0.00 0.00 175.26 174.07 1uch s LEU 183 N 2.27 4.71 -0.17 2.70 1.43 0.76 -1.24 118.68 129.14 1uch s LEU 183 Ca 0.29 -1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.11 1uch s LEU 183 Cb -0.16 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.17 1uch s LEU 183 CO 0.09 -0.42 -0.00 -0.62 0.23 0.00 0.00 176.35 175.64 1uch s ASP 184 N 1.68 2.73 0.15 2.29 -1.08 -1.26 -2.06 116.67 119.12 1uch s ASP 184 Ca 0.01 -0.68 0.18 0.00 -0.52 0.00 0.00 52.55 51.54 1uch s ASP 184 Cb -0.21 -0.70 0.79 0.00 -1.46 0.00 0.00 42.92 41.34 1uch s ASP 184 CO 0.03 -0.25 1.56 0.61 0.52 0.00 0.00 175.17 177.64 1uch n GLY 185 N 4.99 -1.07 0.27 2.66 0.00 -1.26 -0.94 105.19 109.85 1uch n GLY 185 Ca -0.10 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.12 1uch n GLY 185 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1uch h ARG 186 N 0.00 0.00 -6.49 1.61 3.08 -1.88 -0.12 114.38 110.57 1uch h ARG 186 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1uch h ARG 186 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1uch h ARG 186 CO 0.00 0.06 -0.21 0.15 -1.07 0.00 0.00 179.97 178.90 1uch s LYS 187 N -3.73 3.43 0.31 0.04 1.02 -0.11 -4.99 119.74 115.71 1uch s LYS 187 Ca 0.00 -0.42 0.25 0.00 0.02 0.00 0.00 55.97 55.83 1uch s LYS 187 Cb 0.10 -2.68 1.05 0.00 -0.52 0.00 0.00 37.83 35.78 1uch s LYS 187 CO 0.56 0.14 1.76 -1.00 -0.92 0.00 0.00 175.35 175.89 1uch h PRO 188 N 0.77 0.00 -2.59 -1.68 0.13 -1.88 -3.47 132.00 123.28 1uch h PRO 188 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 1uch h PRO 188 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 1uch h PRO 188 CO 0.61 0.00 0.38 -0.59 -0.23 0.00 0.00 178.00 178.16 1uch s PHE 189 N -3.38 -0.34 0.61 1.56 -0.12 -1.26 -5.09 117.98 109.95 1uch s PHE 189 Ca 0.04 0.11 -0.18 0.00 -0.05 0.00 0.00 56.93 56.85 1uch s PHE 189 Cb 0.09 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 1uch s PHE 189 CO 0.42 -0.77 1.00 -2.30 -0.05 0.00 0.00 175.22 173.51 1uch n PRO 190 N -0.35 0.91 -3.76 1.99 -0.02 -1.26 -4.73 135.00 127.77 1uch n PRO 190 Ca -0.10 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 1uch n PRO 190 Cb 0.62 -2.21 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 1uch n PRO 190 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uch s ILE 191 N -1.50 4.36 -0.36 4.25 -1.09 -0.37 -4.96 121.20 121.53 1uch s ILE 191 Ca 0.77 -0.16 -0.27 0.00 -2.23 0.00 0.00 60.65 58.76 1uch s ILE 191 Cb -0.41 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1uch s ILE 191 CO 0.46 0.34 1.00 0.21 -1.23 0.00 0.00 174.94 175.73 1uch s ASN 192 N 1.57 6.77 -0.07 3.58 3.84 -1.26 -0.96 114.94 128.40 1uch s ASN 192 Ca 0.06 0.75 0.19 0.00 0.21 0.00 0.00 52.86 54.07 1uch s ASN 192 Cb -0.15 -2.50 0.67 0.00 -0.55 0.00 0.00 41.25 38.72 1uch s ASN 192 CO 0.04 -0.91 1.58 1.41 -2.79 0.00 0.00 177.10 176.43 1uch n HIS 193 N 6.92 1.25 0.00 0.43 8.25 0.12 -5.00 115.22 127.18 1uch n HIS 193 Ca 0.09 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1uch n HIS 193 Cb 0.48 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1uch n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uch n GLY 194 N 1.24 -1.20 3.79 -1.41 0.00 -1.26 -4.82 105.19 101.53 1uch n GLY 194 Ca 0.25 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1uch n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uch s GLU 195 N -0.17 3.86 0.29 1.61 2.02 -1.26 -0.03 118.70 125.02 1uch s GLU 195 Ca 0.00 1.50 -0.19 0.00 0.02 0.00 0.00 54.97 56.30 1uch s GLU 195 Cb 0.00 -2.27 0.05 0.00 0.10 0.00 0.00 34.13 32.01 1uch s GLU 195 CO 0.00 -0.41 0.86 -0.08 0.02 0.00 0.00 175.26 175.65 1uch s THR 196 N -1.79 0.00 0.21 3.63 -1.32 -0.35 -4.58 115.64 111.44 1uch s THR 196 Ca 0.64 -0.86 -0.04 0.00 -1.21 0.00 0.00 61.69 60.22 1uch s THR 196 Cb -0.21 -2.60 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 1uch s THR 196 CO 0.25 0.00 0.21 -0.94 -2.21 0.00 0.00 174.62 171.94 1uch s SER 197 N -3.10 0.10 0.34 8.08 1.04 -1.26 -4.10 113.70 114.79 1uch s SER 197 Ca 0.16 -1.25 0.08 0.00 0.48 0.00 0.00 55.95 55.41 1uch s SER 197 Cb -0.04 0.43 0.78 0.00 0.10 0.00 0.00 66.02 67.28 1uch s SER 197 CO 0.08 -0.91 1.86 0.44 0.98 0.00 0.00 173.24 175.69 1uch h ASP 198 N 2.55 0.70 0.88 7.02 3.32 -1.95 -1.53 116.42 127.41 1uch h ASP 198 Ca -0.33 0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.55 1uch h ASP 198 Cb 1.25 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1uch h ASP 198 CO 0.49 0.35 -0.98 -0.08 -1.72 0.00 0.00 179.24 177.30 1uch h GLU 199 N 0.74 0.05 -0.19 3.56 4.81 -1.95 -3.32 114.58 118.27 1uch h GLU 199 Ca 0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1uch h GLU 199 Cb 0.70 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1uch h GLU 199 CO -0.22 0.98 0.00 0.25 -0.73 0.00 0.00 179.01 179.29 1uch n THR 200 N -3.44 0.72 -0.24 0.32 -2.24 -1.03 -4.70 114.28 103.66 1uch n THR 200 Ca -0.01 -0.86 0.05 0.00 -2.27 0.00 0.00 64.05 60.95 1uch n THR 200 Cb 0.91 0.69 0.17 0.00 -2.10 0.00 0.00 70.33 70.00 1uch n THR 200 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1uch h LEU 201 N 1.55 0.11 -0.29 3.22 5.85 -1.39 -0.54 115.31 123.82 1uch h LEU 201 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1uch h LEU 201 Cb 0.58 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1uch h LEU 201 CO 0.00 0.02 0.09 0.25 -0.34 0.00 0.00 178.44 178.46 1uch h LEU 202 N 0.33 0.08 -0.04 2.25 5.85 -1.84 0.82 115.31 122.76 1uch h LEU 202 Ca 0.40 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1uch h LEU 202 Cb 0.64 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1uch h LEU 202 CO -0.45 0.08 0.01 -0.33 -0.34 0.00 0.00 178.44 177.41 1uch h GLU 203 N 0.21 0.07 -0.52 1.25 3.07 -1.74 -1.81 114.58 115.12 1uch h GLU 203 Ca 0.13 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 1uch h GLU 203 Cb 0.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1uch h GLU 203 CO -0.14 0.32 0.14 -0.44 -1.40 0.00 0.00 179.01 177.49 1uch h ASP 204 N -0.18 0.72 -0.10 1.42 3.32 -0.98 -1.42 116.42 119.20 1uch h ASP 204 Ca 0.01 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.77 1uch h ASP 204 Cb 0.28 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1uch h ASP 204 CO 0.00 0.70 -0.55 0.00 -1.72 0.00 0.00 179.24 177.68 1uch h ALA 205 N 1.40 0.61 -0.06 3.45 0.00 -0.78 -2.86 119.26 121.02 1uch h ALA 205 Ca 0.17 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1uch h ALA 205 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1uch h ALA 205 CO -0.00 0.69 -0.49 0.82 0.00 0.00 0.00 179.25 180.26 1uch h ILE 206 N 0.53 1.35 -0.30 0.00 1.08 -1.12 -0.65 117.51 118.39 1uch h ILE 206 Ca 0.01 -1.70 0.05 0.00 -0.39 0.00 0.00 64.86 62.83 1uch h ILE 206 Cb 1.12 1.85 -0.05 0.00 -3.07 0.00 0.00 36.82 36.67 1uch h ILE 206 CO 0.11 0.50 0.00 -0.33 -0.69 0.00 0.00 178.15 177.74 1uch h GLU 207 N 0.12 0.09 -0.97 2.37 4.39 -1.16 0.31 114.58 119.73 1uch h GLU 207 Ca 0.00 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1uch h GLU 207 Cb 0.91 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 1uch h GLU 207 CO 0.07 0.06 0.64 0.28 -1.16 0.00 0.00 179.01 178.90 1uch h VAL 208 N 0.09 1.24 -0.80 3.13 2.07 -1.27 -1.65 116.25 119.07 1uch h VAL 208 Ca 0.15 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1uch h VAL 208 Cb 0.19 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 1uch h VAL 208 CO -0.24 0.24 0.46 0.00 0.02 0.00 0.00 177.57 178.05 1uch h LYS 210 N 1.10 0.12 -0.56 0.00 1.57 -0.09 -1.91 116.57 116.80 1uch h LYS 210 Ca 0.28 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1uch h LYS 210 Cb -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1uch h LYS 210 CO -0.05 0.42 0.15 0.87 -0.57 0.00 0.00 179.45 180.26 1uch h LYS 211 N 0.11 0.89 -0.37 3.15 1.57 -0.82 0.16 116.57 121.24 1uch h LYS 211 Ca 0.01 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1uch h LYS 211 Cb 0.60 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 1uch h LYS 211 CO 0.04 0.82 0.04 0.74 -0.57 0.00 0.00 179.45 180.53 1uch h PHE 212 N 0.79 0.05 -0.27 -1.35 -1.00 -0.89 -2.35 116.94 111.92 1uch h PHE 212 Ca 0.18 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.94 1uch h PHE 212 Cb 0.33 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1uch h PHE 212 CO 0.02 -0.03 0.02 0.52 -1.61 0.00 0.00 178.31 177.23 1uch h MET 213 N 0.15 0.46 -0.95 1.51 2.86 -0.96 -2.86 114.93 115.14 1uch h MET 213 Ca 0.18 -0.14 0.17 0.00 -2.06 0.00 0.00 59.70 57.85 1uch h MET 213 Cb 0.24 -0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.75 1uch h MET 213 CO -0.27 0.61 0.55 0.93 1.06 0.00 0.00 176.91 179.79 1uch h GLU 214 N 0.26 0.72 0.00 1.72 5.08 -0.60 0.12 114.58 121.88 1uch h GLU 214 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1uch h GLU 214 Cb 0.38 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1uch h GLU 214 CO 0.01 0.48 -0.11 0.00 -1.00 0.00 0.00 179.01 178.38 1uch h ARG 215 N 0.74 0.00 -2.09 2.33 3.08 -1.20 -3.30 114.38 113.95 1uch h ARG 215 Ca 0.53 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 60.01 1uch h ARG 215 Cb 0.77 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.42 1uch h ARG 215 CO -0.37 0.11 -0.89 -3.47 -1.07 0.00 0.00 179.97 174.29 1uch n ASP 216 N -3.45 1.78 0.20 7.04 -0.08 0.40 -4.89 116.55 117.56 1uch n ASP 216 Ca -0.01 -3.04 0.14 0.00 -1.51 0.00 0.00 54.79 50.37 1uch n ASP 216 Cb 0.27 -0.65 0.51 0.00 2.34 0.00 0.00 41.12 43.59 1uch n ASP 216 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uch h PRO 217 N 3.99 0.00 0.00 -0.67 0.11 -1.61 -1.11 132.00 132.71 1uch h PRO 217 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1uch h PRO 217 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1uch h PRO 217 CO 0.62 0.00 -0.83 -0.25 -0.21 0.00 0.00 178.00 177.34 1uch n ASP 218 N -2.74 0.63 -4.68 -2.05 9.92 -1.26 -4.92 116.55 111.45 1uch n ASP 218 Ca 0.02 -0.22 -0.42 0.00 -0.53 0.00 0.00 54.79 53.64 1uch n ASP 218 Cb 0.34 0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 41.36 1uch n ASP 218 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1uch s GLU 219 N -3.13 4.32 0.20 -1.24 0.41 -0.42 -4.93 118.70 113.90 1uch s GLU 219 Ca 0.06 1.66 0.22 0.00 -0.41 0.00 0.00 54.97 56.50 1uch s GLU 219 Cb 0.15 -3.61 -0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1uch s GLU 219 CO 0.77 -0.51 1.04 -0.07 -0.49 0.00 0.00 175.26 176.00 1uch h LEU 220 N 8.59 0.00 -4.69 1.80 -0.00 -1.91 -3.43 115.31 115.67 1uch h LEU 220 Ca -0.32 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.07 1uch h LEU 220 Cb 1.14 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.69 1uch h LEU 220 CO 0.90 0.07 1.06 0.54 -0.00 0.00 0.00 178.44 181.01 1uch n ARG 221 N -2.72 2.93 -4.06 1.13 1.74 -1.26 -4.83 116.66 109.59 1uch n ARG 221 Ca -0.01 -2.21 -0.34 0.00 -0.77 0.00 0.00 57.85 54.52 1uch n ARG 221 Cb 0.58 -2.29 -0.15 0.00 -1.02 0.00 0.00 32.46 29.58 1uch n ARG 221 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uch s PHE 222 N -0.40 2.87 -0.03 -1.55 0.40 -1.26 -3.90 117.98 114.11 1uch s PHE 222 Ca 0.61 -1.22 -0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1uch s PHE 222 Cb 0.30 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.85 1uch s PHE 222 CO -0.12 -0.64 0.06 -0.80 0.70 0.00 0.00 175.22 174.42 1uch s ASN 223 N 1.33 0.21 0.08 1.36 0.01 -0.43 -5.01 114.94 112.48 1uch s ASN 223 Ca 0.04 0.10 0.08 0.00 -0.71 0.00 0.00 52.86 52.37 1uch s ASN 223 Cb -0.14 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1uch s ASN 223 CO -0.07 -0.15 -0.18 0.00 -1.51 0.00 0.00 177.10 175.19 1uch s ALA 224 N 1.29 2.64 0.06 0.60 0.00 -1.26 -0.89 121.76 124.19 1uch s ALA 224 Ca -0.07 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.69 1uch s ALA 224 Cb -0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1uch s ALA 224 CO -0.04 0.58 -0.20 0.96 0.00 0.00 0.00 175.76 177.06 1uch s ILE 225 N -1.04 1.64 -0.11 0.00 -4.36 -0.13 -1.26 121.20 115.94 1uch s ILE 225 Ca 0.16 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 1uch s ILE 225 Cb -0.11 -1.44 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 1uch s ILE 225 CO 0.08 0.13 -0.12 0.00 0.24 0.00 0.00 174.94 175.27 1uch s ALA 226 N -0.89 2.69 -0.68 2.27 0.00 -0.27 -0.52 121.76 124.37 1uch s ALA 226 Ca 0.07 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 1uch s ALA 226 Cb -0.09 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.89 1uch s ALA 226 CO 0.02 0.34 1.10 -1.17 0.00 0.00 0.00 175.76 176.05 1uch s LEU 227 N 0.02 3.84 0.08 0.00 2.96 0.15 -0.86 118.68 124.88 1uch s LEU 227 Ca -0.03 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.23 1uch s LEU 227 Cb -0.14 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 1uch s LEU 227 CO 0.04 -1.59 -0.02 -0.44 -1.32 0.00 0.00 176.35 173.02 1uch s SER 228 N 3.63 4.93 0.09 3.68 0.01 0.03 -0.89 113.70 125.17 1uch s SER 228 Ca 0.28 -0.19 -0.35 0.00 1.31 0.00 0.00 55.95 57.00 1uch s SER 228 Cb -0.13 -1.15 -0.15 0.00 0.21 0.00 0.00 66.02 64.80 1uch s SER 228 CO 0.13 0.19 1.52 0.00 0.41 0.00 0.00 173.24 175.49 1uch n ALA 229 N 0.67 0.35 -1.03 1.44 0.00 0.19 -0.26 120.51 121.86 1uch n ALA 229 Ca -0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1uch n ALA 229 Cb 0.52 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1uch n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50