#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iby s HIS 3 N 0.00 2.83 -0.16 4.78 2.46 -1.26 -1.37 115.29 122.57 3iby s HIS 3 Ca 0.00 -1.06 0.02 0.00 0.47 0.00 0.00 55.06 54.49 3iby s HIS 3 Cb 0.00 -1.95 0.01 0.00 -0.13 0.00 0.00 32.58 30.52 3iby s HIS 3 CO 0.00 -0.51 -0.21 0.00 -2.47 0.00 0.00 174.74 171.55 3iby s ALA 4 N 1.01 2.26 0.21 1.58 0.00 0.42 -0.06 121.76 127.18 3iby s ALA 4 Ca -0.01 -1.13 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 3iby s ALA 4 Cb -0.15 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 3iby s ALA 4 CO -0.02 -0.17 0.87 -0.51 0.00 0.00 0.00 175.76 175.93 3iby s LEU 5 N 1.04 4.62 -0.24 0.00 1.43 -0.63 -1.69 118.68 123.21 3iby s LEU 5 Ca -0.02 1.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.85 3iby s LEU 5 Cb -0.14 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3iby s LEU 5 CO -0.07 0.17 0.02 -0.22 0.23 0.00 0.00 176.35 176.48 3iby s LEU 6 N -1.19 3.18 0.00 1.79 2.96 0.51 -0.94 118.68 125.00 3iby s LEU 6 Ca 0.39 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3iby s LEU 6 Cb -0.25 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3iby s LEU 6 CO 0.30 -0.03 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.59 3iby s ILE 7 N 1.55 0.60 0.00 6.68 1.01 -0.58 -1.01 121.20 129.46 3iby s ILE 7 Ca 0.06 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 3iby s ILE 7 Cb -0.15 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.79 3iby s ILE 7 CO 0.00 0.08 0.01 0.61 0.00 0.00 0.00 174.94 175.65 3iby n GLY 8 N 2.65 1.10 3.79 6.18 0.00 -1.26 -0.94 105.19 116.71 3iby n GLY 8 Ca -0.15 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 3iby n GLY 8 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iby s ASN 9 N -1.02 4.64 0.78 1.61 -0.87 -1.23 -1.53 114.94 117.32 3iby s ASN 9 Ca 0.00 1.56 -0.14 0.00 -1.57 0.00 0.00 52.86 52.70 3iby s ASN 9 Cb -0.00 -2.32 0.05 0.00 -0.02 0.00 0.00 41.25 38.95 3iby s ASN 9 CO 0.00 -1.91 1.02 -2.65 -2.57 0.00 0.00 177.10 171.00 3iby n PRO 10 N -3.42 0.27 -3.86 -0.60 -0.02 -1.26 -3.83 135.00 122.28 3iby n PRO 10 Ca 0.08 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 3iby n PRO 10 Cb 0.54 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3iby n PRO 10 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3iby n ASN 11 N -2.40 -4.74 -1.11 2.55 3.02 -1.26 -4.87 115.26 106.46 3iby n ASN 11 Ca 0.13 -0.74 0.08 0.00 -0.03 0.00 0.00 54.58 54.02 3iby n ASN 11 Cb 0.50 -3.79 0.28 0.00 -0.61 0.00 0.00 39.78 36.16 3iby n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iby n GLY 13 N 0.00 0.67 0.25 0.00 0.00 -1.26 -4.62 105.19 100.24 3iby n GLY 13 Ca 0.22 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 3iby n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iby h LYS 14 N 0.00 0.84 -0.39 1.61 3.64 -1.91 0.46 116.57 120.83 3iby h LYS 14 Ca -0.15 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 58.95 3iby h LYS 14 Cb 0.66 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3iby h LYS 14 CO 0.21 0.75 -0.19 1.15 -2.27 0.00 0.00 179.45 179.09 3iby h THR 15 N 0.77 1.28 -0.95 1.00 2.02 -1.98 -0.90 112.91 114.14 3iby h THR 15 Ca 0.18 -1.33 0.06 0.00 0.77 0.00 0.00 66.41 66.10 3iby h THR 15 Cb 0.23 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 3iby h THR 15 CO -0.01 0.44 0.61 0.74 0.37 0.00 0.00 175.52 177.67 3iby h THR 16 N 0.63 1.09 -0.52 3.16 2.02 -1.85 0.91 112.91 118.34 3iby h THR 16 Ca 0.09 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 3iby h THR 16 Cb 0.75 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3iby h THR 16 CO 0.06 0.20 -0.07 0.25 0.37 0.00 0.00 175.52 176.33 3iby h LEU 17 N 1.12 0.96 -0.68 2.58 5.85 -0.37 -0.40 115.31 124.36 3iby h LEU 17 Ca 0.41 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.90 3iby h LEU 17 Cb 0.14 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 3iby h LEU 17 CO -0.16 1.07 0.27 0.15 -0.34 0.00 0.00 178.44 179.43 3iby h PHE 18 N 0.83 0.47 -0.26 1.25 3.57 -0.59 0.33 116.94 122.55 3iby h PHE 18 Ca 0.14 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 3iby h PHE 18 Cb 0.62 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3iby h PHE 18 CO 0.05 0.10 -0.48 -0.91 -2.23 0.00 0.00 178.31 174.84 3iby h ASN 19 N 0.45 0.77 -0.62 0.41 2.35 -0.22 -2.09 115.58 116.63 3iby h ASN 19 Ca 0.35 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3iby h ASN 19 Cb 0.47 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3iby h ASN 19 CO -0.34 1.12 0.24 0.00 -1.65 0.00 0.00 177.43 176.80 3iby h ALA 20 N 0.90 0.80 -0.08 -0.83 0.00 -0.28 0.25 119.26 120.02 3iby h ALA 20 Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 3iby h ALA 20 Cb 1.03 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3iby h ALA 20 CO 0.10 0.42 -0.66 -0.07 0.00 0.00 0.00 179.25 179.04 3iby h LEU 21 N 0.86 0.73 0.00 0.00 3.38 -0.89 -3.38 115.31 116.01 3iby h LEU 21 Ca 0.20 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3iby h LEU 21 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3iby h LEU 21 CO -0.02 1.29 -2.03 0.35 0.09 0.00 0.00 178.44 178.12 3iby n THR 22 N -4.11 0.16 0.00 0.22 -2.24 -0.79 -4.64 114.28 102.88 3iby n THR 22 Ca -0.09 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3iby n THR 22 Cb 0.69 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3iby n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iby n ASN 23 N -2.31 0.00 -0.06 3.42 5.03 0.07 -1.15 115.26 120.26 3iby n ASN 23 Ca -0.07 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.51 3iby n ASN 23 Cb 0.63 0.00 0.40 0.00 -1.02 0.00 0.00 39.78 39.79 3iby n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3iby n ALA 24 N 11.77 3.11 -2.17 5.41 0.00 -1.26 -4.49 120.51 132.87 3iby n ALA 24 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 3iby n ALA 24 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3iby n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iby n ASN 25 N -1.28 4.62 -3.50 0.00 3.02 -0.30 -4.84 115.26 112.98 3iby n ASN 25 Ca 0.08 -2.98 -0.14 0.00 -0.03 0.00 0.00 54.58 51.51 3iby n ASN 25 Cb 0.33 -1.57 -0.04 0.00 -0.61 0.00 0.00 39.78 37.88 3iby n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iby s GLN 26 N 1.82 1.14 0.19 3.52 -2.07 -1.26 -1.97 119.66 121.03 3iby s GLN 26 Ca 0.44 -0.19 -0.11 0.00 -1.82 0.00 0.00 55.36 53.68 3iby s GLN 26 Cb 0.10 0.53 -0.00 0.00 -1.09 0.00 0.00 33.01 32.54 3iby s GLN 26 CO -0.03 -0.43 0.37 -0.98 -1.32 0.00 0.00 175.29 172.90 3iby s ARG 27 N -2.61 1.30 -0.02 9.60 1.70 0.15 -4.98 118.95 124.09 3iby s ARG 27 Ca -0.04 -1.17 0.08 0.00 -0.47 0.00 0.00 55.73 54.13 3iby s ARG 27 Cb -0.01 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.78 3iby s ARG 27 CO -0.03 -0.51 -0.25 0.54 -1.08 0.00 0.00 175.30 173.97 3iby s VAL 28 N -3.98 1.96 0.00 4.99 0.11 -1.26 -2.05 120.40 120.17 3iby s VAL 28 Ca 0.18 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 3iby s VAL 28 Cb 0.02 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.24 3iby s VAL 28 CO 0.03 0.56 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 3iby n GLY 29 N 2.49 3.94 3.88 6.54 0.00 -0.06 -4.96 105.19 117.02 3iby n GLY 29 Ca -0.16 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3iby n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iby s ASN 30 N -0.37 6.52 0.91 1.61 0.02 -1.26 0.20 114.94 122.56 3iby s ASN 30 Ca 0.00 0.59 -0.12 0.00 -1.02 0.00 0.00 52.86 52.31 3iby s ASN 30 Cb 0.00 -2.10 0.07 0.00 0.02 0.00 0.00 41.25 39.24 3iby s ASN 30 CO 0.00 0.23 0.76 0.79 0.02 0.00 0.00 177.10 178.90 3iby n TRP 31 N 1.05 -0.30 -1.75 2.20 7.02 -0.23 -4.60 117.44 120.83 3iby n TRP 31 Ca -0.10 0.32 -0.42 0.00 -1.02 0.00 0.00 57.50 56.27 3iby n TRP 31 Cb 0.53 -1.91 -0.03 0.00 -2.42 0.00 0.00 31.31 27.48 3iby n TRP 31 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3iby s PRO 32 N -3.96 3.88 -1.78 -0.99 0.04 -1.26 -2.82 135.00 128.12 3iby s PRO 32 Ca 0.63 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.99 3iby s PRO 32 Cb -0.24 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.13 3iby s PRO 32 CO 0.62 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3iby n GLY 33 N 4.78 0.21 2.56 0.56 0.00 -1.26 -4.99 105.19 107.06 3iby n GLY 33 Ca 0.22 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 3iby n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iby n VAL 34 N -3.58 0.00 0.15 1.61 0.24 -1.13 -5.06 118.33 110.57 3iby n VAL 34 Ca -0.22 -1.89 0.10 0.00 -2.04 0.00 0.00 64.34 60.30 3iby n VAL 34 Cb 0.67 0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 33.70 3iby n VAL 34 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3iby n THR 35 N -0.60 0.00 -2.12 3.34 -2.24 -1.26 -4.62 114.28 106.78 3iby n THR 35 Ca 0.01 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.99 3iby n THR 35 Cb 0.48 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 3iby n THR 35 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iby s VAL 36 N -3.35 2.74 0.07 2.28 1.01 -1.26 -4.87 120.40 117.02 3iby s VAL 36 Ca -0.05 0.73 -0.23 0.00 0.00 0.00 0.00 61.98 62.43 3iby s VAL 36 Cb 0.14 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 3iby s VAL 36 CO 0.86 0.16 0.70 -1.61 0.00 0.00 0.00 175.10 175.20 3iby s GLU 37 N -1.90 4.43 -0.10 2.72 2.02 -1.26 -1.06 118.70 123.54 3iby s GLU 37 Ca 0.51 0.96 -0.02 0.00 0.02 0.00 0.00 54.97 56.44 3iby s GLU 37 Cb -0.39 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 3iby s GLU 37 CO 0.51 0.43 -0.01 0.21 0.02 0.00 0.00 175.26 176.41 3iby s LYS 38 N -0.51 3.10 -0.12 1.61 2.20 0.53 -4.68 119.74 121.87 3iby s LYS 38 Ca 0.35 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 3iby s LYS 38 Cb -0.20 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 3iby s LYS 38 CO 0.22 0.61 -0.16 0.15 -0.36 0.00 0.00 175.35 175.81 3iby s LYS 39 N -0.62 3.30 0.08 4.03 3.01 -1.26 -0.89 119.74 127.39 3iby s LYS 39 Ca 0.10 -0.74 0.07 0.00 -1.01 0.00 0.00 55.97 54.39 3iby s LYS 39 Cb -0.12 -2.55 -0.03 0.00 -1.01 0.00 0.00 37.83 34.12 3iby s LYS 39 CO 0.02 0.20 -0.18 0.95 0.51 0.00 0.00 175.35 176.85 3iby s THR 40 N 0.36 1.43 0.27 2.17 -4.23 -0.87 -1.93 115.64 112.85 3iby s THR 40 Ca -0.13 -1.41 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 3iby s THR 40 Cb -0.16 -1.32 0.04 0.00 1.34 0.00 0.00 72.50 72.39 3iby s THR 40 CO 0.06 -0.12 0.52 0.61 -0.54 0.00 0.00 174.62 175.15 3iby n GLY 41 N 1.22 1.46 3.34 3.99 0.00 -0.08 -0.67 105.19 114.45 3iby n GLY 41 Ca -0.20 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3iby n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iby s GLU 42 N -2.15 0.97 0.03 1.61 1.03 -0.83 -0.05 118.70 119.32 3iby s GLU 42 Ca 0.13 -0.36 -0.03 0.00 0.03 0.00 0.00 54.97 54.74 3iby s GLU 42 Cb -0.03 0.43 -0.02 0.00 -0.80 0.00 0.00 34.13 33.72 3iby s GLU 42 CO 0.09 -0.34 0.03 -0.59 -1.33 0.00 0.00 175.26 173.12 3iby s PHE 43 N -2.60 0.28 0.22 4.83 -0.71 -0.00 -4.66 117.98 115.33 3iby s PHE 43 Ca -0.04 -0.61 -0.17 0.00 -1.04 0.00 0.00 56.93 55.07 3iby s PHE 43 Cb -0.01 -0.20 -0.08 0.00 -1.21 0.00 0.00 43.02 41.52 3iby s PHE 43 CO -0.03 -0.31 0.67 -0.51 -1.34 0.00 0.00 175.22 173.70 3iby s LEU 44 N -2.05 4.29 -0.41 -1.99 1.43 -1.26 -0.46 118.68 118.23 3iby s LEU 44 Ca -0.06 1.28 0.06 0.00 -1.03 0.00 0.00 54.13 54.38 3iby s LEU 44 Cb -0.02 -3.59 0.21 0.00 0.03 0.00 0.00 46.19 42.82 3iby s LEU 44 CO -0.04 0.01 0.45 -0.11 0.23 0.00 0.00 176.35 176.88 3iby n LEU 45 N 0.52 -0.34 0.00 1.79 7.94 0.29 -4.95 117.00 122.26 3iby n LEU 45 Ca -0.02 -4.45 0.00 0.00 -1.11 0.00 0.00 56.01 50.43 3iby n LEU 45 Cb 0.52 0.60 0.00 0.00 0.53 0.00 0.00 43.42 45.07 3iby n LEU 45 CO 0.43 1.96 0.00 0.61 -1.11 0.00 0.00 177.39 179.28 3iby n GLY 46 N 2.16 0.57 0.11 -3.96 0.00 -1.26 -3.49 105.19 99.32 3iby n GLY 46 Ca 0.25 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 3iby n GLY 46 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iby h GLU 47 N 0.00 0.00 -6.40 1.61 5.08 -2.01 -3.45 114.58 109.41 3iby h GLU 47 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3iby h GLU 47 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3iby h GLU 47 CO 0.00 0.62 1.20 -1.01 -1.00 0.00 0.00 179.01 178.83 3iby s HIS 48 N -2.87 1.51 0.10 4.33 3.76 -1.23 -5.04 115.29 115.87 3iby s HIS 48 Ca 0.02 -0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 54.35 3iby s HIS 48 Cb 0.08 -4.23 -0.07 0.00 1.11 0.00 0.00 32.58 29.48 3iby s HIS 48 CO 0.78 -5.39 0.71 -1.17 -0.85 0.00 0.00 174.74 168.82 3iby s LEU 49 N 4.00 4.53 -0.14 0.89 2.96 -1.26 -0.55 118.68 129.11 3iby s LEU 49 Ca 0.86 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 3iby s LEU 49 Cb -0.44 -3.16 0.02 0.00 0.50 0.00 0.00 46.19 43.12 3iby s LEU 49 CO 0.40 0.17 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.84 3iby s ILE 50 N -0.81 1.49 0.02 6.68 1.09 0.39 -1.93 121.20 128.14 3iby s ILE 50 Ca 0.34 -0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 59.31 3iby s ILE 50 Cb -0.21 -1.41 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 3iby s ILE 50 CO 0.23 0.45 0.15 -1.61 -0.10 0.00 0.00 174.94 174.06 3iby s GLU 51 N 1.52 3.28 -0.02 2.79 2.02 -0.47 -0.82 118.70 126.98 3iby s GLU 51 Ca 0.05 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.60 3iby s GLU 51 Cb -0.13 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.15 3iby s GLU 51 CO -0.10 0.64 -0.01 0.42 0.02 0.00 0.00 175.26 176.22 3iby s ILE 52 N -1.36 0.23 -0.16 -1.63 1.01 0.93 -0.43 121.20 119.79 3iby s ILE 52 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.95 3iby s ILE 52 Cb -0.13 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.06 3iby s ILE 52 CO 0.21 0.14 -0.16 -0.89 0.00 0.00 0.00 174.94 174.24 3iby s THR 53 N 0.76 2.58 -0.03 2.92 2.01 -0.68 -0.90 115.64 122.30 3iby s THR 53 Ca -0.08 -0.79 -0.28 0.00 0.31 0.00 0.00 61.69 60.85 3iby s THR 53 Cb -0.11 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3iby s THR 53 CO -0.01 0.51 0.91 -0.62 -0.69 0.00 0.00 174.62 174.72 3iby s ASP 54 N 0.97 7.25 -0.02 3.53 2.15 -0.81 -0.36 116.67 129.38 3iby s ASP 54 Ca -0.02 1.52 -0.01 0.00 0.43 0.00 0.00 52.55 54.46 3iby s ASP 54 Cb -0.15 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 3iby s ASP 54 CO -0.03 -0.24 0.09 -0.76 -0.17 0.00 0.00 175.17 174.06 3iby s LEU 55 N 1.04 3.95 0.33 -1.34 1.43 -0.18 -4.49 118.68 119.42 3iby s LEU 55 Ca 0.48 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.48 3iby s LEU 55 Cb -0.20 -2.24 -0.10 0.00 0.03 0.00 0.00 46.19 43.68 3iby s LEU 55 CO 0.25 0.29 1.30 -2.84 0.23 0.00 0.00 176.35 175.58 3iby s PRO 56 N -1.61 4.35 0.62 1.29 0.02 -1.26 -4.69 135.00 133.73 3iby s PRO 56 Ca 0.22 2.21 -0.18 0.00 0.02 0.00 0.00 61.00 63.26 3iby s PRO 56 Cb -0.12 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3iby s PRO 56 CO 0.12 -0.18 1.20 0.20 -0.33 0.00 0.00 177.00 178.01 3iby s GLY 57 N -0.50 2.63 -0.17 0.52 0.00 -1.26 -4.70 107.32 103.85 3iby s GLY 57 Ca 0.49 0.96 -0.23 0.00 0.00 0.00 0.00 44.72 45.94 3iby s GLY 57 CO 0.53 1.35 0.60 -1.34 0.00 0.00 0.00 173.10 174.24 3iby s VAL 58 N -1.71 0.01 0.20 1.40 -7.23 -0.58 -4.53 120.40 107.96 3iby s VAL 58 Ca 0.76 -0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.87 3iby s VAL 58 Cb -0.30 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 3iby s VAL 58 CO 0.36 -0.02 1.53 0.22 -0.31 0.00 0.00 175.10 176.87 3iby h TYR 59 N 4.53 0.61 -2.96 2.82 3.20 -1.95 -3.27 116.97 119.94 3iby h TYR 59 Ca -0.28 -0.21 -0.12 0.00 3.14 0.00 0.00 58.73 61.25 3iby h TYR 59 Cb 1.16 -0.12 -0.21 0.00 1.54 0.00 0.00 36.73 39.10 3iby h TYR 59 CO 0.40 0.92 -0.27 0.45 -1.64 0.00 0.00 178.16 178.03 3iby s SER 60 N -6.91 -0.25 0.00 -2.11 0.15 -1.26 -3.51 113.70 99.81 3iby s SER 60 Ca -0.07 0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.92 3iby s SER 60 Cb 0.12 0.43 0.28 0.00 -1.71 0.00 0.00 66.02 65.13 3iby s SER 60 CO 0.83 -0.37 1.20 0.18 1.20 0.00 0.00 173.24 176.28 3iby n LEU 61 N 1.68 0.58 0.01 3.45 4.77 -1.26 -4.95 117.00 121.27 3iby n LEU 61 Ca -0.19 -0.28 0.11 0.00 -0.03 0.00 0.00 56.01 55.62 3iby n LEU 61 Cb 0.56 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3iby n LEU 61 CO 0.20 0.14 0.09 0.52 -1.33 0.00 0.00 177.39 177.01 3iby n VAL 62 N -0.23 0.05 -0.97 4.08 0.31 -1.26 -4.64 118.33 115.66 3iby n VAL 62 Ca 0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3iby n VAL 62 Cb 0.10 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 3iby n VAL 62 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3iby n SER 69 N -1.66 -1.30 -0.24 4.52 2.88 -1.26 -5.01 113.62 111.55 3iby n SER 69 Ca 0.04 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.62 3iby n SER 69 Cb 0.37 -0.39 0.15 0.00 -0.75 0.00 0.00 64.21 63.59 3iby n SER 69 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3iby h GLN 70 N 0.00 0.12 0.07 -1.46 4.15 -2.05 0.17 115.11 116.11 3iby h GLN 70 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 3iby h GLN 70 Cb 0.65 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3iby h GLN 70 CO 0.00 0.08 -0.13 -0.44 -1.93 0.00 0.00 178.83 176.41 3iby h ASP 71 N 0.12 -0.35 -0.16 -0.69 3.45 -1.99 -2.17 116.42 114.62 3iby h ASP 71 Ca 0.39 0.04 0.05 0.00 0.43 0.00 0.00 57.03 57.94 3iby h ASP 71 Cb 0.68 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.58 3iby h ASP 71 CO -0.62 -0.19 0.22 -0.08 -1.57 0.00 0.00 179.24 177.00 3iby h GLU 72 N -0.25 0.00 -0.01 3.56 4.81 -1.27 0.20 114.58 121.63 3iby h GLU 72 Ca 0.02 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.06 3iby h GLU 72 Cb 0.27 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.67 3iby h GLU 72 CO -0.08 0.00 -0.76 0.37 -0.73 0.00 0.00 179.01 177.81 3iby h GLN 73 N 0.00 0.53 -0.89 1.92 4.15 -0.97 -3.13 115.11 116.71 3iby h GLN 73 Ca 0.08 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3iby h GLN 73 Cb 0.52 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 3iby h GLN 73 CO -0.00 1.19 0.57 0.82 -1.93 0.00 0.00 178.83 179.48 3iby h ILE 74 N 0.09 1.24 -0.18 2.39 2.04 -0.33 -1.94 117.51 120.81 3iby h ILE 74 Ca -0.09 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 3iby h ILE 74 Cb 1.45 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3iby h ILE 74 CO 0.15 0.24 -0.10 0.00 0.00 0.00 0.00 178.15 178.44 3iby h ALA 75 N 1.31 0.25 -0.77 1.87 0.00 -1.64 0.38 119.26 120.67 3iby h ALA 75 Ca 0.32 -0.29 0.17 0.00 0.00 0.00 0.00 54.91 55.11 3iby h ALA 75 Cb -0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.51 3iby h ALA 75 CO -0.07 0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.49 3iby h ALA 76 N 0.67 1.04 0.00 0.00 0.00 -1.46 -2.76 119.26 116.76 3iby h ALA 76 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3iby h ALA 76 Cb 0.59 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3iby h ALA 76 CO 0.03 -0.34 -0.88 -0.56 0.00 0.00 0.00 179.25 177.50 3iby h GLN 77 N 0.29 0.00 -0.11 0.00 3.07 -1.13 -3.38 115.11 113.85 3iby h GLN 77 Ca 0.44 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.98 3iby h GLN 77 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.33 3iby h GLN 77 CO -0.52 0.00 -0.75 0.77 0.09 0.00 0.00 178.83 178.42 3iby h SER 78 N 0.00 0.69 0.31 0.06 0.02 -0.64 0.33 113.55 114.33 3iby h SER 78 Ca 0.00 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3iby h SER 78 Cb 0.95 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3iby h SER 78 CO 0.00 1.22 0.00 1.33 -1.14 0.00 0.00 176.83 178.24 3iby n VAL 79 N -3.88 1.03 -0.07 2.27 0.24 -1.11 -1.07 118.33 115.74 3iby n VAL 79 Ca -0.06 0.26 -0.08 0.00 -2.04 0.00 0.00 64.34 62.42 3iby n VAL 79 Cb 0.72 -1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 31.95 3iby n VAL 79 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3iby n ILE 80 N -1.41 0.83 0.05 1.34 -6.64 -1.06 -4.80 119.36 107.67 3iby n ILE 80 Ca 0.04 -0.42 -0.14 0.00 -1.77 0.00 0.00 62.75 60.46 3iby n ILE 80 Cb 0.11 -0.85 -0.05 0.00 -1.44 0.00 0.00 39.64 37.42 3iby n ILE 80 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3iby h ASP 81 N 0.00 0.61 -3.32 7.28 3.32 0.20 -3.46 116.42 121.05 3iby h ASP 81 Ca -0.33 -0.47 -0.49 0.00 0.02 0.00 0.00 57.03 55.76 3iby h ASP 81 Cb 1.63 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 41.01 3iby h ASP 81 CO -0.02 1.26 -0.02 -0.76 -1.72 0.00 0.00 179.24 177.99 3iby s LEU 82 N -7.86 3.84 -0.47 1.55 1.43 -0.24 -5.03 118.68 111.89 3iby s LEU 82 Ca -0.07 0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 3iby s LEU 82 Cb 0.09 -3.68 0.05 0.00 0.03 0.00 0.00 46.19 42.67 3iby s LEU 82 CO 0.87 -0.40 0.53 -1.61 0.23 0.00 0.00 176.35 175.97 3iby s GLU 83 N -4.27 3.10 0.03 1.70 0.41 -1.26 -4.94 118.70 113.47 3iby s GLU 83 Ca 0.45 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 3iby s GLU 83 Cb -0.10 -4.06 -0.03 0.00 -1.78 0.00 0.00 34.13 28.16 3iby s GLU 83 CO 0.38 -1.08 -0.04 1.52 -0.49 0.00 0.00 175.26 175.55 3iby s TYR 84 N 2.33 0.40 -0.16 1.61 1.13 -1.26 -4.94 117.35 116.46 3iby s TYR 84 Ca 0.13 -0.65 0.13 0.00 -1.41 0.00 0.00 57.07 55.27 3iby s TYR 84 Cb -0.19 -0.27 -0.24 0.00 -1.10 0.00 0.00 41.96 40.16 3iby s TYR 84 CO 0.12 -0.21 0.22 -0.25 -2.51 0.00 0.00 175.55 172.92 3iby n ASP 85 N 1.22 0.64 -3.90 -0.18 8.00 0.91 -4.99 116.55 118.25 3iby n ASP 85 Ca -0.21 0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.32 3iby n ASP 85 Cb 0.56 0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 42.02 3iby n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iby s ILE 87 N -3.95 2.34 -0.45 0.00 1.01 0.12 -1.60 121.20 118.67 3iby s ILE 87 Ca 0.15 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 3iby s ILE 87 Cb -0.03 -1.86 0.10 0.00 0.01 0.00 0.00 42.46 40.68 3iby s ILE 87 CO 0.06 0.58 0.32 -0.63 0.00 0.00 0.00 174.94 175.27 3iby s ILE 88 N -0.47 4.31 -0.43 2.92 1.01 -0.11 -1.19 121.20 127.24 3iby s ILE 88 Ca 0.06 -1.57 -0.23 0.00 0.00 0.00 0.00 60.65 58.91 3iby s ILE 88 Cb -0.11 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3iby s ILE 88 CO 0.01 -0.65 0.76 0.21 0.00 0.00 0.00 174.94 175.27 3iby s ASN 89 N 2.47 6.43 -0.20 3.58 2.47 -0.28 -1.52 114.94 127.88 3iby s ASN 89 Ca 0.04 -0.02 -0.22 0.00 0.42 0.00 0.00 52.86 53.08 3iby s ASN 89 Cb -0.25 -2.38 -0.02 0.00 -1.45 0.00 0.00 41.25 37.15 3iby s ASN 89 CO 0.01 -0.85 0.69 -0.69 -3.72 0.00 0.00 177.10 172.54 3iby s VAL 90 N 3.17 4.97 0.01 -5.21 1.01 -0.11 -0.65 120.40 123.60 3iby s VAL 90 Ca 0.29 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.62 3iby s VAL 90 Cb -0.13 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3iby s VAL 90 CO 0.21 0.07 -0.13 -0.63 0.00 0.00 0.00 175.10 174.61 3iby s ILE 91 N 2.10 3.15 -0.35 2.22 1.01 -0.03 -4.40 121.20 124.91 3iby s ILE 91 Ca 0.31 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 3iby s ILE 91 Cb -0.16 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 3iby s ILE 91 CO 0.10 0.40 0.56 -0.62 0.00 0.00 0.00 174.94 175.38 3iby s ASP 92 N -1.31 6.36 0.58 3.58 -1.08 -1.26 -0.04 116.67 123.51 3iby s ASP 92 Ca 0.15 0.07 0.28 0.00 -0.52 0.00 0.00 52.55 52.54 3iby s ASP 92 Cb -0.11 -2.29 1.56 0.00 -1.46 0.00 0.00 42.92 40.62 3iby s ASP 92 CO 0.05 -0.51 2.00 0.00 0.52 0.00 0.00 175.17 177.24 3iby h ALA 93 N 8.43 2.01 -0.00 3.66 0.00 -1.54 -0.35 119.26 131.47 3iby h ALA 93 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3iby h ALA 93 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3iby h ALA 93 CO 0.79 -0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.47 3iby n HIS 95 N -1.42 0.28 0.11 0.00 8.25 -0.14 -4.96 115.22 117.33 3iby n HIS 95 Ca 0.09 -2.88 -0.13 0.00 -0.26 0.00 0.00 57.72 54.54 3iby n HIS 95 Cb 0.32 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 3iby n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3iby h LEU 96 N 2.87 -0.41 -0.90 2.41 5.85 -1.65 -1.59 115.31 121.89 3iby h LEU 96 Ca -0.08 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3iby h LEU 96 Cb 1.14 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 3iby h LEU 96 CO 0.41 -0.23 0.60 -0.08 -0.34 0.00 0.00 178.44 178.80 3iby h GLU 97 N -0.32 1.18 -0.26 1.25 4.81 -1.92 -0.63 114.58 118.68 3iby h GLU 97 Ca 0.01 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3iby h GLU 97 Cb 0.31 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3iby h GLU 97 CO -0.06 0.78 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.88 3iby h ARG 98 N 1.21 0.49 0.00 1.92 2.43 -1.95 -3.27 114.38 115.22 3iby h ARG 98 Ca 0.33 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3iby h ARG 98 Cb -0.13 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3iby h ARG 98 CO -0.08 0.68 -0.31 0.45 -1.51 0.00 0.00 179.97 179.21 3iby h HIS 99 N 0.25 0.00 0.00 2.20 3.86 -0.24 -1.09 115.15 120.13 3iby h HIS 99 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3iby h HIS 99 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3iby h HIS 99 CO 0.04 0.31 0.00 1.28 0.86 0.00 0.00 177.93 180.43 3iby n LEU 100 N -3.66 0.00 0.07 2.43 4.77 -0.35 -3.17 117.00 117.09 3iby n LEU 100 Ca -0.01 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3iby n LEU 100 Cb 0.43 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3iby n LEU 100 CO 0.36 -0.07 0.79 0.22 -1.33 0.00 0.00 177.39 177.36 3iby h TYR 101 N 0.00 -0.11 -0.74 -1.77 3.20 -1.29 -1.84 116.97 114.43 3iby h TYR 101 Ca 0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3iby h TYR 101 Cb 0.33 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 3iby h TYR 101 CO 0.00 0.02 0.49 1.25 -1.64 0.00 0.00 178.16 178.28 3iby h LEU 102 N -0.21 0.72 -0.28 2.82 5.85 -1.58 -2.74 115.31 119.89 3iby h LEU 102 Ca -0.01 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3iby h LEU 102 Cb 0.17 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3iby h LEU 102 CO 0.02 0.47 0.07 0.74 -0.34 0.00 0.00 178.44 179.41 3iby h THR 103 N 0.82 1.21 -0.63 1.05 2.02 -1.53 -1.24 112.91 114.61 3iby h THR 103 Ca 0.31 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 3iby h THR 103 Cb 0.18 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3iby h THR 103 CO -0.10 0.23 0.15 0.77 0.37 0.00 0.00 175.52 176.94 3iby h SER 104 N 0.28 0.93 -0.44 4.18 4.64 -1.06 -1.66 113.55 120.43 3iby h SER 104 Ca 0.09 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3iby h SER 104 Cb 0.28 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3iby h SER 104 CO 0.00 0.91 0.25 1.56 -0.87 0.00 0.00 176.83 178.68 3iby h GLN 105 N 0.95 0.61 -0.56 4.77 4.20 -1.25 -3.17 115.11 120.66 3iby h GLN 105 Ca 0.20 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.87 3iby h GLN 105 Cb 0.34 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3iby h GLN 105 CO 0.00 0.47 0.34 -0.07 -0.67 0.00 0.00 178.83 178.90 3iby h LEU 106 N 0.58 0.55 -2.11 1.46 3.38 -0.78 -1.87 115.31 116.53 3iby h LEU 106 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3iby h LEU 106 Cb 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3iby h LEU 106 CO -0.03 0.39 0.30 -0.26 0.09 0.00 0.00 178.44 178.93 3iby h PHE 107 N 0.67 0.00 -0.00 1.13 -1.00 -1.29 -0.67 116.94 115.78 3iby h PHE 107 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3iby h PHE 107 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 3iby h PHE 107 CO -0.06 0.00 -0.04 0.39 -1.61 0.00 0.00 178.31 176.99 3iby n GLU 108 N -2.93 1.02 0.18 1.51 1.02 -0.70 -3.65 120.64 117.09 3iby n GLU 108 Ca -0.02 -0.32 0.07 0.00 -0.02 0.00 0.00 57.16 56.87 3iby n GLU 108 Cb 0.35 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.46 3iby n GLU 108 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3iby h LEU 109 N 0.78 0.00 0.48 -4.62 3.38 -1.23 -3.34 115.31 110.76 3iby h LEU 109 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3iby h LEU 109 Cb 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3iby h LEU 109 CO 0.00 0.32 -0.16 0.61 0.09 0.00 0.00 178.44 179.29 3iby n GLY 110 N 0.90 0.94 3.70 0.83 0.00 -1.24 -4.76 105.19 105.56 3iby n GLY 110 Ca 0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 3iby n GLY 110 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iby s LYS 111 N -2.88 2.60 0.24 1.61 2.47 -1.26 -4.69 119.74 117.82 3iby s LYS 111 Ca 0.00 -0.84 -0.31 0.00 -1.56 0.00 0.00 55.97 53.26 3iby s LYS 111 Cb 0.00 -2.56 -0.13 0.00 -1.46 0.00 0.00 37.83 33.68 3iby s LYS 111 CO 0.00 0.54 1.48 -2.30 0.16 0.00 0.00 175.35 175.22 3iby n PRO 112 N 0.46 2.21 -4.40 4.03 -0.02 -1.26 -4.32 135.00 131.71 3iby n PRO 112 Ca -0.10 0.79 -0.20 0.00 -2.02 0.00 0.00 63.50 61.97 3iby n PRO 112 Cb 0.52 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 3iby n PRO 112 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iby s VAL 113 N 0.12 0.94 -0.03 -1.45 1.01 -1.26 0.14 120.40 119.87 3iby s VAL 113 Ca 0.69 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3iby s VAL 113 Cb -0.62 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3iby s VAL 113 CO 0.47 0.11 -0.19 0.54 0.00 0.00 0.00 175.10 176.03 3iby s VAL 114 N -0.56 1.51 -0.20 2.92 0.11 -0.33 -4.51 120.40 119.34 3iby s VAL 114 Ca 0.02 -0.80 -0.09 0.00 -2.93 0.00 0.00 61.98 58.18 3iby s VAL 114 Cb -0.06 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.47 3iby s VAL 114 CO 0.00 0.43 0.12 -0.69 -3.33 0.00 0.00 175.10 171.63 3iby s VAL 115 N -0.29 5.30 -0.37 2.04 1.01 0.00 -1.13 120.40 126.97 3iby s VAL 115 Ca 0.03 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 3iby s VAL 115 Cb -0.09 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3iby s VAL 115 CO 0.00 0.45 0.21 0.00 0.00 0.00 0.00 175.10 175.76 3iby s ALA 116 N 0.33 3.29 -0.68 5.51 0.00 0.18 -0.08 121.76 130.32 3iby s ALA 116 Ca 0.07 -1.70 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 3iby s ALA 116 Cb -0.11 -2.60 0.17 0.00 0.00 0.00 0.00 23.12 20.58 3iby s ALA 116 CO -0.02 -1.36 0.63 -1.17 0.00 0.00 0.00 175.76 173.84 3iby s LEU 117 N 1.57 6.46 0.57 0.00 0.20 0.57 -0.85 118.68 127.19 3iby s LEU 117 Ca 0.02 -2.23 -0.02 0.00 0.69 0.00 0.00 54.13 52.59 3iby s LEU 117 Cb -0.19 -2.21 0.03 0.00 -0.43 0.00 0.00 46.19 43.39 3iby s LEU 117 CO 0.07 -0.72 0.83 0.21 -0.29 0.00 0.00 176.35 176.45 3iby s ASN 118 N 2.89 5.34 -1.09 3.68 2.47 0.94 -1.00 114.94 128.16 3iby s ASN 118 Ca 0.10 0.28 -0.03 0.00 0.42 0.00 0.00 52.86 53.63 3iby s ASN 118 Cb -0.20 -1.20 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 3iby s ASN 118 CO -0.03 -1.15 0.38 0.23 -3.72 0.00 0.00 177.10 172.81 3iby n MET 119 N -2.46 -3.16 0.27 0.43 2.81 -1.20 -1.52 117.12 112.28 3iby n MET 119 Ca 0.06 0.64 0.11 0.00 -1.81 0.00 0.00 57.70 56.70 3iby n MET 119 Cb 0.59 -4.92 0.74 0.00 -0.71 0.00 0.00 33.22 28.92 3iby n MET 119 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3iby h MET 120 N -0.86 0.00 -0.05 0.03 2.86 -1.78 0.12 114.93 115.25 3iby h MET 120 Ca -0.37 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.12 3iby h MET 120 Cb 1.25 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.92 3iby h MET 120 CO 0.39 0.08 -0.58 0.38 1.06 0.00 0.00 176.91 178.25 3iby h ASP 121 N 0.00 0.59 -0.35 1.22 2.03 -1.90 -1.21 116.42 116.79 3iby h ASP 121 Ca -0.00 -0.70 -0.13 0.00 -0.73 0.00 0.00 57.03 55.46 3iby h ASP 121 Cb 0.17 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3iby h ASP 121 CO 0.01 1.21 -0.29 0.40 -1.03 0.00 0.00 179.24 179.53 3iby h ILE 122 N 0.02 1.29 -0.64 4.15 1.08 -1.83 -0.97 117.51 120.60 3iby h ILE 122 Ca -0.06 -1.46 0.13 0.00 -0.39 0.00 0.00 64.86 63.08 3iby h ILE 122 Cb 1.25 1.43 -0.12 0.00 -3.07 0.00 0.00 36.82 36.31 3iby h ILE 122 CO 0.12 0.48 -0.15 0.00 -0.69 0.00 0.00 178.15 177.91 3iby h ALA 123 N 0.76 0.44 -0.28 1.87 0.00 -0.80 -0.99 119.26 120.25 3iby h ALA 123 Ca 0.06 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3iby h ALA 123 Cb 0.87 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3iby h ALA 123 CO 0.08 -0.42 -0.11 1.49 0.00 0.00 0.00 179.25 180.29 3iby h GLU 124 N 0.01 0.57 -0.80 0.00 4.81 -0.78 0.30 114.58 118.69 3iby h GLU 124 Ca 0.31 -0.24 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 3iby h GLU 124 Cb 0.48 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 3iby h GLU 124 CO -0.65 0.79 0.52 1.25 -0.73 0.00 0.00 179.01 180.19 3iby h HIS 125 N 0.32 0.73 -0.22 0.92 2.76 -0.93 -0.84 115.15 117.89 3iby h HIS 125 Ca 0.07 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3iby h HIS 125 Cb 0.61 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.33 3iby h HIS 125 CO 0.06 0.32 0.00 0.54 -1.30 0.00 0.00 177.93 177.54 3iby n ARG 126 N -4.51 1.54 -2.69 5.26 1.74 -0.40 -4.90 116.66 112.70 3iby n ARG 126 Ca 0.14 -0.84 -0.17 0.00 -0.77 0.00 0.00 57.85 56.21 3iby n ARG 126 Cb 0.39 -1.21 0.02 0.00 -1.02 0.00 0.00 32.46 30.63 3iby n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iby n GLY 127 N 0.90 -0.26 3.66 -0.13 0.00 -0.32 -5.01 105.19 104.02 3iby n GLY 127 Ca 0.09 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3iby n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iby s ILE 128 N -2.97 5.31 -0.13 -0.61 1.01 0.11 -4.64 121.20 119.28 3iby s ILE 128 Ca 0.17 0.31 0.01 0.00 0.00 0.00 0.00 60.65 61.13 3iby s ILE 128 Cb -0.07 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 3iby s ILE 128 CO 0.20 0.31 -0.17 -0.55 0.00 0.00 0.00 174.94 174.74 3iby s SER 129 N 1.12 3.63 -0.12 3.58 0.15 -1.15 -3.93 113.70 116.98 3iby s SER 129 Ca 0.10 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.33 3iby s SER 129 Cb -0.14 -1.54 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 3iby s SER 129 CO 0.06 0.13 -0.18 -0.63 1.20 0.00 0.00 173.24 173.81 3iby s ILE 130 N 0.55 1.75 -0.61 6.45 1.01 -1.26 -2.40 121.20 126.69 3iby s ILE 130 Ca -0.10 -0.80 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 3iby s ILE 130 Cb -0.16 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.75 3iby s ILE 130 CO 0.04 0.49 1.49 -0.62 0.00 0.00 0.00 174.94 176.34 3iby s ASP 131 N 0.89 5.95 0.15 3.58 3.68 -0.40 -4.90 116.67 125.62 3iby s ASP 131 Ca -0.07 0.15 -0.09 0.00 2.13 0.00 0.00 52.55 54.67 3iby s ASP 131 Cb -0.15 -2.55 -0.02 0.00 -1.45 0.00 0.00 42.92 38.75 3iby s ASP 131 CO -0.01 -1.88 1.45 0.74 0.13 0.00 0.00 175.17 175.60 3iby h THR 132 N 6.41 1.29 -0.24 1.71 2.02 -1.98 -2.14 112.91 119.99 3iby h THR 132 Ca -0.27 -1.72 -0.08 0.00 0.77 0.00 0.00 66.41 65.11 3iby h THR 132 Cb 1.10 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 3iby h THR 132 CO 1.21 0.56 -0.22 -0.33 0.37 0.00 0.00 175.52 177.10 3iby h GLU 133 N 0.62 0.43 0.08 6.66 5.08 -1.94 -1.53 114.58 123.98 3iby h GLU 133 Ca 0.02 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 58.01 3iby h GLU 133 Cb 1.11 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.35 3iby h GLU 133 CO 0.11 0.63 -0.93 -0.22 -1.00 0.00 0.00 179.01 177.60 3iby h LYS 134 N 0.39 0.48 -0.30 2.33 1.63 -1.95 -1.57 116.57 117.59 3iby h LYS 134 Ca 0.06 -0.63 0.04 0.00 -0.85 0.00 0.00 60.65 59.27 3iby h LYS 134 Cb 0.60 0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.40 3iby h LYS 134 CO 0.04 1.26 0.07 1.25 -3.45 0.00 0.00 179.45 178.62 3iby h LEU 135 N 0.00 0.04 -0.74 5.20 5.85 -1.33 0.21 115.31 124.54 3iby h LEU 135 Ca -0.14 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3iby h LEU 135 Cb 1.65 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 3iby h LEU 135 CO 0.18 0.06 0.48 -0.08 -0.34 0.00 0.00 178.44 178.74 3iby h GLU 136 N 0.19 0.95 -0.39 1.25 4.81 -1.33 0.21 114.58 120.26 3iby h GLU 136 Ca 0.14 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3iby h GLU 136 Cb 0.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3iby h GLU 136 CO -0.17 0.63 0.18 1.03 -0.73 0.00 0.00 179.01 179.94 3iby h SER 137 N 0.98 0.52 0.14 1.04 0.87 -0.53 -0.98 113.55 115.59 3iby h SER 137 Ca 0.28 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3iby h SER 137 Cb -0.07 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3iby h SER 137 CO -0.08 0.52 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.61 3iby h LEU 138 N 0.49 -0.16 -0.73 2.23 3.38 -0.67 -3.28 115.31 116.57 3iby h LEU 138 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3iby h LEU 138 Cb 0.15 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3iby h LEU 138 CO -0.01 0.15 0.00 -0.07 0.09 0.00 0.00 178.44 178.59 3iby h LEU 139 N -0.49 0.00 0.72 1.67 3.38 -0.55 -3.47 115.31 116.56 3iby h LEU 139 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 3iby h LEU 139 Cb 0.38 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3iby h LEU 139 CO 0.03 0.00 -0.24 0.61 0.09 0.00 0.00 178.44 178.94 3iby n GLY 140 N 0.42 1.16 3.08 0.83 0.00 -0.38 -4.86 105.19 105.44 3iby n GLY 140 Ca 0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 3iby n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iby n SER 142 N 0.39 1.99 -4.16 0.00 7.64 -1.26 -4.63 113.62 113.58 3iby n SER 142 Ca -0.16 1.11 -0.34 0.00 1.01 0.00 0.00 58.87 60.50 3iby n SER 142 Cb 0.60 -1.25 -0.15 0.00 -1.01 0.00 0.00 64.21 62.40 3iby n SER 142 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3iby s VAL 143 N 0.56 2.53 -0.29 0.44 1.01 -1.26 -0.82 120.40 122.57 3iby s VAL 143 Ca 0.83 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3iby s VAL 143 Cb -0.88 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 33.33 3iby s VAL 143 CO 0.45 0.30 -0.05 -0.63 0.00 0.00 0.00 175.10 175.17 3iby s ILE 144 N 1.29 2.39 0.15 2.22 -1.09 0.89 -4.97 121.20 122.07 3iby s ILE 144 Ca 0.01 -1.74 -0.31 0.00 -2.23 0.00 0.00 60.65 56.38 3iby s ILE 144 Cb -0.16 -2.48 -0.08 0.00 -1.58 0.00 0.00 42.46 38.16 3iby s ILE 144 CO -0.07 -0.18 1.37 -2.84 -1.23 0.00 0.00 174.94 171.99 3iby s PRO 145 N 1.09 4.34 0.24 2.79 0.02 -1.26 -0.31 135.00 141.91 3iby s PRO 145 Ca -0.04 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 3iby s PRO 145 Cb -0.20 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.07 3iby s PRO 145 CO -0.05 -0.38 0.23 0.96 -0.33 0.00 0.00 177.00 177.43 3iby s ILE 146 N 0.74 0.00 -0.34 2.83 -4.36 -0.17 -4.55 121.20 115.35 3iby s ILE 146 Ca 0.62 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 59.11 3iby s ILE 146 Cb -0.37 -2.47 0.13 0.00 1.25 0.00 0.00 42.46 41.00 3iby s ILE 146 CO 0.33 0.00 0.20 -1.10 0.24 0.00 0.00 174.94 174.61 3iby s GLN 147 N -3.95 0.47 0.15 0.37 -0.21 0.12 -3.21 119.66 113.40 3iby s GLN 147 Ca 0.36 -1.14 -0.14 0.00 0.02 0.00 0.00 55.36 54.46 3iby s GLN 147 Cb 0.05 -1.25 0.02 0.00 1.00 0.00 0.00 33.01 32.83 3iby s GLN 147 CO 0.15 -1.17 1.68 0.00 -2.12 0.00 0.00 175.29 173.83 3iby h ALA 148 N 7.32 0.62 0.00 6.09 0.00 -1.94 0.99 119.26 132.34 3iby h ALA 148 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iby h ALA 148 Cb 0.98 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3iby h ALA 148 CO 0.30 0.26 0.23 1.12 0.00 0.00 0.00 179.25 181.15 3iby h HIS 149 N 0.63 0.00 0.00 0.00 -0.00 -1.93 -1.70 115.15 112.15 3iby h HIS 149 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3iby h HIS 149 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3iby h HIS 149 CO 0.01 0.00 0.00 1.63 -0.00 0.00 0.00 177.93 179.57 3iby n LYS 150 N -2.85 1.72 -1.31 5.12 5.02 -0.11 -5.00 118.16 120.75 3iby n LYS 150 Ca -0.02 -1.13 -0.11 0.00 -2.02 0.00 0.00 58.31 55.03 3iby n LYS 150 Cb 0.28 -0.93 -0.05 0.00 -0.02 0.00 0.00 35.03 34.31 3iby n LYS 150 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iby n ASN 151 N -0.32 -5.36 -4.69 4.39 3.02 0.15 -4.96 115.26 107.49 3iby n ASN 151 Ca 0.00 0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 54.41 3iby n ASN 151 Cb 0.22 -3.79 -0.05 0.00 -0.61 0.00 0.00 39.78 35.55 3iby n ASN 151 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3iby s ILE 152 N -2.03 4.99 0.00 2.41 1.01 -0.74 -3.64 121.20 123.20 3iby s ILE 152 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.11 3iby s ILE 152 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3iby s ILE 152 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3iby n GLY 153 N 3.34 3.36 0.32 6.18 0.00 -1.26 0.16 105.19 117.30 3iby n GLY 153 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3iby n GLY 153 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iby h ILE 154 N 0.00 0.60 -0.13 -0.61 5.03 -1.89 -1.32 117.51 119.19 3iby h ILE 154 Ca 0.00 -0.19 -0.13 0.00 -0.12 0.00 0.00 64.86 64.42 3iby h ILE 154 Cb 0.00 -0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.78 3iby h ILE 154 CO 0.00 0.10 -0.50 -0.65 -0.68 0.00 0.00 178.15 176.42 3iby h PRO 155 N 0.56 0.35 -0.23 2.37 0.11 -1.92 -0.01 132.00 133.24 3iby h PRO 155 Ca 0.54 -0.20 -0.17 0.00 0.11 0.00 0.00 66.00 66.28 3iby h PRO 155 Cb 0.92 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3iby h PRO 155 CO -0.44 0.77 -0.53 0.00 -0.21 0.00 0.00 178.00 177.59 3iby h ALA 156 N 1.19 0.64 -0.48 -0.75 0.00 -1.82 0.02 119.26 118.06 3iby h ALA 156 Ca 0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3iby h ALA 156 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3iby h ALA 156 CO 0.08 0.68 -0.03 1.25 0.00 0.00 0.00 179.25 181.24 3iby h LEU 157 N 0.51 0.80 0.21 0.00 5.85 -1.05 0.80 115.31 122.43 3iby h LEU 157 Ca 0.01 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3iby h LEU 157 Cb 1.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3iby h LEU 157 CO 0.11 0.88 -0.10 1.56 -0.34 0.00 0.00 178.44 180.55 3iby h GLN 158 N 0.76 -0.27 -0.11 1.25 4.20 -0.82 -2.13 115.11 117.99 3iby h GLN 158 Ca 0.14 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.91 3iby h GLN 158 Cb 0.50 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3iby h GLN 158 CO 0.03 -0.09 -0.12 0.37 -0.67 0.00 0.00 178.83 178.35 3iby h GLN 159 N -0.40 -0.14 -0.13 1.46 5.75 -0.69 -0.47 115.11 120.49 3iby h GLN 159 Ca -0.03 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3iby h GLN 159 Cb 0.31 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 3iby h GLN 159 CO 0.05 -0.10 0.22 1.03 -2.65 0.00 0.00 178.83 177.38 3iby h SER 160 N -0.15 0.00 -0.74 -0.69 0.87 -0.80 -1.83 113.55 110.22 3iby h SER 160 Ca 0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 3iby h SER 160 Cb 0.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3iby h SER 160 CO -0.20 0.00 0.28 -0.07 -0.53 0.00 0.00 176.83 176.31 3iby h LEU 161 N 0.00 1.03 -2.11 2.23 3.38 -0.37 -2.86 115.31 116.61 3iby h LEU 161 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3iby h LEU 161 Cb 0.49 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iby h LEU 161 CO -0.00 0.93 -0.07 -0.07 0.09 0.00 0.00 178.44 179.32 3iby h LEU 162 N 1.07 0.00 -3.36 1.67 3.38 -1.34 -2.89 115.31 113.84 3iby h LEU 162 Ca 0.25 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.03 3iby h LEU 162 Cb 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.87 3iby h LEU 162 CO -0.02 0.07 -0.08 1.41 0.09 0.00 0.00 178.44 179.90 3iby n HIS 163 N -3.46 1.10 -3.15 1.13 8.25 -1.10 -4.79 115.22 113.21 3iby n HIS 163 Ca -0.02 -1.62 -0.39 0.00 -0.26 0.00 0.00 57.72 55.43 3iby n HIS 163 Cb 0.20 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 3iby n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iby n SER 165 N 1.29 0.11 -4.77 0.00 3.41 -1.26 -4.79 113.62 107.61 3iby n SER 165 Ca 0.27 -0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 57.96 3iby n SER 165 Cb 0.35 0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 65.08 3iby n SER 165 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3iby s GLN 166 N -0.83 4.32 0.68 4.33 -0.21 -1.26 -4.86 119.66 121.83 3iby s GLN 166 Ca 0.00 0.76 -0.11 0.00 0.02 0.00 0.00 55.36 56.03 3iby s GLN 166 Cb 0.00 -3.33 -0.00 0.00 1.00 0.00 0.00 33.01 30.68 3iby s GLN 166 CO 0.00 0.39 1.08 -1.59 -2.12 0.00 0.00 175.29 173.05 3iby s LYS 167 N -0.29 3.09 0.17 2.91 -2.85 -1.26 -4.28 119.74 117.22 3iby s LYS 167 Ca 0.31 0.55 0.07 0.00 -1.00 0.00 0.00 55.97 55.91 3iby s LYS 167 Cb -0.19 -2.04 -0.04 0.00 -2.06 0.00 0.00 37.83 33.50 3iby s LYS 167 CO 0.18 -0.89 -0.02 0.42 0.10 0.00 0.00 175.35 175.14 3iby s ILE 168 N -3.30 3.65 0.17 3.79 1.01 -1.26 -4.96 121.20 120.29 3iby s ILE 168 Ca 0.57 -1.43 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 3iby s ILE 168 Cb -0.11 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.46 3iby s ILE 168 CO 0.52 -0.09 0.81 -0.54 0.00 0.00 0.00 174.94 175.64 3iby s LYS 169 N -2.87 4.62 0.62 2.79 1.02 -1.26 -4.60 119.74 120.05 3iby s LYS 169 Ca 0.27 1.22 -0.18 0.00 0.02 0.00 0.00 55.97 57.29 3iby s LYS 169 Cb -0.09 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3iby s LYS 169 CO 0.18 0.53 1.04 -2.30 -0.92 0.00 0.00 175.35 173.88 3iby n PRO 170 N 1.70 0.92 -1.98 -1.68 -0.02 -1.25 -4.88 135.00 127.81 3iby n PRO 170 Ca -0.05 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.42 3iby n PRO 170 Cb 0.48 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.73 3iby n PRO 170 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iby s LEU 171 N -2.65 3.87 -0.52 2.45 1.43 -1.26 -4.94 118.68 117.06 3iby s LEU 171 Ca 0.78 2.54 -0.26 0.00 -1.03 0.00 0.00 54.13 56.17 3iby s LEU 171 Cb -0.40 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 41.53 3iby s LEU 171 CO 0.45 -1.36 1.01 -0.75 0.23 0.00 0.00 176.35 175.93 3iby s LYS 172 N -2.91 3.48 -0.05 1.70 2.20 -1.26 -5.01 119.74 117.88 3iby s LYS 172 Ca 0.70 0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.36 3iby s LYS 172 Cb -0.35 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 31.95 3iby s LYS 172 CO 0.41 -1.43 0.08 -0.51 -0.36 0.00 0.00 175.35 173.54 3iby s LEU 173 N 4.15 3.97 -0.34 5.43 1.43 -1.26 -4.96 118.68 127.11 3iby s LEU 173 Ca 0.37 0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 3iby s LEU 173 Cb -0.10 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3iby s LEU 173 CO 0.24 0.32 0.23 -0.55 0.23 0.00 0.00 176.35 176.83 3iby s SER 174 N -1.41 6.01 0.21 2.29 0.15 -1.26 -5.05 113.70 114.63 3iby s SER 174 Ca 0.19 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.48 3iby s SER 174 Cb -0.12 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 3iby s SER 174 CO 0.10 -0.24 -0.20 -0.76 1.20 0.00 0.00 173.24 173.33 3iby s LEU 175 N 1.71 2.50 0.73 3.45 1.43 -1.26 -4.67 118.68 122.57 3iby s LEU 175 Ca 0.06 -0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 52.06 3iby s LEU 175 Cb -0.17 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 3iby s LEU 175 CO 0.10 0.01 0.50 -0.24 0.23 0.00 0.00 176.35 176.95 3iby n SER 176 N -0.10 -1.32 -0.18 2.29 2.88 -1.26 -4.68 113.62 111.25 3iby n SER 176 Ca -0.10 0.58 -0.10 0.00 -1.33 0.00 0.00 58.87 57.93 3iby n SER 176 Cb 0.58 -1.20 0.01 0.00 -0.75 0.00 0.00 64.21 62.85 3iby n SER 176 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3iby h VAL 177 N -0.40 1.26 -0.34 2.46 2.07 -2.00 0.58 116.25 119.88 3iby h VAL 177 Ca -0.45 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 65.99 3iby h VAL 177 Cb 1.35 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3iby h VAL 177 CO 0.42 0.40 0.12 0.00 0.02 0.00 0.00 177.57 178.52 3iby h ALA 178 N 0.94 0.40 -0.40 1.67 0.00 -1.99 0.11 119.26 119.98 3iby h ALA 178 Ca 0.15 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3iby h ALA 178 Cb 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3iby h ALA 178 CO 0.03 -0.28 -0.36 0.00 0.00 0.00 0.00 179.25 178.64 3iby h ALA 179 N 1.22 0.58 -0.51 0.00 0.00 -1.82 -2.78 119.26 115.96 3iby h ALA 179 Ca 0.16 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3iby h ALA 179 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3iby h ALA 179 CO -0.16 0.67 -0.00 0.37 0.00 0.00 0.00 179.25 180.13 3iby h GLN 180 N 0.78 0.90 -0.63 0.00 5.75 0.42 -2.17 115.11 120.16 3iby h GLN 180 Ca 0.07 -0.29 0.13 0.00 -0.15 0.00 0.00 58.65 58.41 3iby h GLN 180 Cb 0.95 -0.08 -0.10 0.00 1.07 0.00 0.00 27.48 29.32 3iby h GLN 180 CO 0.09 0.93 0.03 0.37 -2.65 0.00 0.00 178.83 177.59 3iby h GLN 181 N 0.76 0.14 -0.32 1.69 -0.00 -0.92 -0.89 115.11 115.56 3iby h GLN 181 Ca 0.14 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.70 3iby h GLN 181 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 3iby h GLN 181 CO 0.03 0.09 -0.12 0.82 0.00 0.00 0.00 178.83 179.65 3iby h ILE 182 N 0.14 1.29 -0.38 2.39 2.04 -1.14 -1.26 117.51 120.59 3iby h ILE 182 Ca 0.33 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3iby h ILE 182 Cb 0.53 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3iby h ILE 182 CO -0.52 0.39 0.03 -0.07 0.00 0.00 0.00 178.15 177.98 3iby h LEU 183 N 0.42 0.55 -0.41 1.44 3.38 -1.10 -0.62 115.31 118.97 3iby h LEU 183 Ca 0.08 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 3iby h LEU 183 Cb 0.63 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3iby h LEU 183 CO 0.04 0.60 -0.78 0.78 0.09 0.00 0.00 178.44 179.16 3iby h ASN 184 N 0.56 0.25 -0.23 -0.43 2.35 -0.79 0.14 115.58 117.43 3iby h ASN 184 Ca 0.12 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3iby h ASN 184 Cb 0.31 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3iby h ASN 184 CO 0.01 0.93 0.04 0.44 -1.65 0.00 0.00 177.43 177.20 3iby h ASP 185 N 0.12 0.36 0.08 5.81 3.45 -1.07 -2.34 116.42 122.83 3iby h ASP 185 Ca -0.03 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.17 3iby h ASP 185 Cb 1.37 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 40.04 3iby h ASP 185 CO 0.12 0.52 -0.07 0.25 -1.57 0.00 0.00 179.24 178.50 3iby h LEU 186 N 0.18 -0.17 -0.82 1.55 5.85 -1.02 0.82 115.31 121.69 3iby h LEU 186 Ca 0.07 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.95 3iby h LEU 186 Cb 0.32 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 3iby h LEU 186 CO 0.00 -0.11 0.40 -0.08 -0.34 0.00 0.00 178.44 178.32 3iby h GLU 187 N -0.16 0.56 -0.04 1.25 4.81 -0.98 -2.12 114.58 117.90 3iby h GLU 187 Ca 0.00 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 3iby h GLU 187 Cb 0.15 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.41 3iby h GLU 187 CO -0.01 0.37 -0.56 -0.91 -0.73 0.00 0.00 179.01 177.17 3iby h ASN 188 N 0.58 0.57 -0.90 1.04 -0.26 -0.83 -1.97 115.58 113.82 3iby h ASN 188 Ca 0.45 -0.71 0.15 0.00 -0.56 0.00 0.00 56.30 55.63 3iby h ASN 188 Cb 0.64 -0.17 -0.15 0.00 -1.06 0.00 0.00 38.32 37.58 3iby h ASN 188 CO -0.37 1.19 -0.36 -0.61 -1.06 0.00 0.00 177.43 176.23 3iby h GLN 189 N -0.01 -0.04 -0.31 0.81 4.15 -0.69 -1.09 115.11 117.93 3iby h GLN 189 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3iby h GLN 189 Cb 1.24 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3iby h GLN 189 CO 0.11 -0.02 0.21 -0.07 -1.93 0.00 0.00 178.83 177.13 3iby h LEU 190 N -0.04 0.36 -0.49 -2.39 3.38 -1.21 -1.17 115.31 113.75 3iby h LEU 190 Ca 0.33 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.33 3iby h LEU 190 Cb 0.60 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3iby h LEU 190 CO -0.91 0.26 0.25 0.40 0.09 0.00 0.00 178.44 178.53 3iby h ILE 191 N 0.42 0.97 -0.77 1.22 2.04 -0.68 -2.13 117.51 118.57 3iby h ILE 191 Ca 0.11 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3iby h ILE 191 Cb -0.05 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3iby h ILE 191 CO -0.02 0.09 0.44 0.28 0.00 0.00 0.00 178.15 178.94 3iby h SER 192 N 0.50 0.94 -0.51 1.72 0.02 -0.95 -0.12 113.55 115.14 3iby h SER 192 Ca 0.21 -0.07 0.15 0.00 -0.84 0.00 0.00 61.79 61.24 3iby h SER 192 Cb 0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3iby h SER 192 CO -0.14 0.74 0.46 0.11 -1.14 0.00 0.00 176.83 176.86 3iby h LYS 193 N 1.07 0.00 0.00 3.45 1.79 -0.59 -3.45 116.57 118.84 3iby h LYS 193 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3iby h LYS 193 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3iby h LYS 193 CO -0.05 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.73 3iby n GLY 194 N -1.56 1.17 3.73 3.86 0.00 -0.06 -5.10 105.19 107.23 3iby n GLY 194 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3iby n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iby s TYR 195 N -2.00 2.06 0.50 1.61 2.02 -0.90 -4.99 117.35 115.65 3iby s TYR 195 Ca 0.00 1.55 -0.17 0.00 -0.37 0.00 0.00 57.07 58.08 3iby s TYR 195 Cb 0.00 -3.57 -0.09 0.00 -0.40 0.00 0.00 41.96 37.91 3iby s TYR 195 CO 0.00 -2.74 0.98 0.21 -1.57 0.00 0.00 175.55 172.43 3iby s LYS 196 N -3.66 4.01 0.10 -0.62 2.20 -1.26 -4.56 119.74 115.94 3iby s LYS 196 Ca 0.78 0.99 -0.29 0.00 -0.36 0.00 0.00 55.97 57.09 3iby s LYS 196 Cb -0.33 -2.14 -0.10 0.00 -1.51 0.00 0.00 37.83 33.75 3iby s LYS 196 CO 0.42 -0.22 1.63 -0.91 -0.36 0.00 0.00 175.35 175.91 3iby h ASN 197 N 1.11 -0.83 -0.81 1.43 -0.26 -1.98 -1.00 115.58 113.25 3iby h ASN 197 Ca -0.47 0.09 0.12 0.00 -0.56 0.00 0.00 56.30 55.48 3iby h ASN 197 Cb 1.18 0.30 -0.13 0.00 -1.06 0.00 0.00 38.32 38.61 3iby h ASN 197 CO 0.61 -0.41 -0.40 0.77 -1.06 0.00 0.00 177.43 176.95 3iby h SER 198 N -0.57 -1.43 -0.37 5.81 4.64 -1.94 -1.31 113.55 118.39 3iby h SER 198 Ca 0.01 0.28 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 3iby h SER 198 Cb 0.56 0.71 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3iby h SER 198 CO -0.12 -0.30 -0.09 0.15 -0.87 0.00 0.00 176.83 175.61 3iby h PHE 199 N -0.09 0.87 -0.39 4.77 3.57 -1.72 -2.43 116.94 121.53 3iby h PHE 199 Ca 0.27 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3iby h PHE 199 Cb 0.56 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3iby h PHE 199 CO -0.79 0.85 0.08 0.00 -2.23 0.00 0.00 178.31 176.21 3iby h ALA 200 N 1.17 0.52 -0.17 2.41 0.00 -0.37 0.39 119.26 123.20 3iby h ALA 200 Ca 0.13 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3iby h ALA 200 Cb 0.57 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3iby h ALA 200 CO 0.04 0.21 -0.06 -0.92 0.00 0.00 0.00 179.25 178.52 3iby h TYR 201 N 0.49 -0.13 -0.16 0.00 3.20 -1.18 -1.84 116.97 117.36 3iby h TYR 201 Ca 0.12 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3iby h TYR 201 Cb 0.34 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3iby h TYR 201 CO 0.02 -0.10 -0.12 -0.92 -1.64 0.00 0.00 178.16 175.41 3iby h TYR 202 N -0.03 0.42 0.00 -3.82 3.20 -1.01 -3.11 116.97 112.63 3iby h TYR 202 Ca 0.09 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 3iby h TYR 202 Cb 0.16 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3iby h TYR 202 CO -0.21 0.72 -0.26 0.35 -1.64 0.00 0.00 178.16 177.12 3iby h PHE 203 N 0.00 0.00 -0.35 -3.82 3.57 -0.17 -2.79 116.94 113.39 3iby h PHE 203 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3iby h PHE 203 Cb 0.63 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3iby h PHE 203 CO 0.08 0.26 0.17 0.66 -2.23 0.00 0.00 178.31 177.24 3iby h SER 204 N 0.00 0.46 -0.77 0.41 4.64 -1.26 -1.36 113.55 115.66 3iby h SER 204 Ca -0.00 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3iby h SER 204 Cb 0.48 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3iby h SER 204 CO 0.03 0.46 0.41 0.03 -0.87 0.00 0.00 176.83 176.89 3iby h ARG 205 N 0.43 1.09 -0.23 4.77 -0.00 -1.49 0.72 114.38 119.67 3iby h ARG 205 Ca 0.12 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 3iby h ARG 205 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 29.87 3iby h ARG 205 CO -0.02 0.82 0.06 0.00 0.00 0.00 0.00 179.97 180.84 3iby h ARG 206 N 1.08 0.36 -0.34 0.04 -0.00 -1.34 -0.98 114.38 113.20 3iby h ARG 206 Ca 0.27 -0.08 0.07 0.00 -0.50 0.00 0.00 59.98 59.73 3iby h ARG 206 Cb 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 29.97 29.92 3iby h ARG 206 CO -0.04 0.46 -0.05 -0.07 0.00 0.00 0.00 179.97 180.28 3iby h LEU 207 N 0.20 -0.24 -1.71 3.04 4.07 -1.07 0.94 115.31 120.55 3iby h LEU 207 Ca 0.07 0.09 0.18 0.00 0.08 0.00 0.00 57.88 58.31 3iby h LEU 207 Cb 0.26 0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 3iby h LEU 207 CO -0.00 -0.08 0.52 0.00 -1.08 0.00 0.00 178.44 177.80 3iby h ALA 208 N 1.32 2.32 0.00 1.53 0.00 -0.46 0.52 119.26 124.50 3iby h ALA 208 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iby h ALA 208 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3iby h ALA 208 CO -0.32 -0.54 -0.24 0.39 0.00 0.00 0.00 179.25 178.54 3iby n GLU 209 N -4.44 0.05 -0.41 0.00 1.02 -0.39 -2.99 120.64 113.49 3iby n GLU 209 Ca 0.15 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3iby n GLU 209 Cb 0.65 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3iby n GLU 209 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iby n GLY 210 N 1.47 1.36 3.70 0.62 0.00 0.18 -4.77 105.19 107.75 3iby n GLY 210 Ca 0.06 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3iby n GLY 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iby s ASP 211 N -2.18 7.23 0.14 1.61 2.15 0.19 -4.93 116.67 120.87 3iby s ASP 211 Ca 0.00 1.49 0.25 0.00 0.43 0.00 0.00 52.55 54.72 3iby s ASP 211 Cb 0.00 -2.53 0.52 0.00 -0.30 0.00 0.00 42.92 40.61 3iby s ASP 211 CO 0.00 -0.30 1.48 0.35 -0.17 0.00 0.00 175.17 176.53 3iby n THR 212 N 4.15 0.40 -3.80 1.71 -2.24 -1.26 -4.59 114.28 108.65 3iby n THR 212 Ca 0.05 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 3iby n THR 212 Cb 0.50 -0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 3iby n THR 212 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3iby s LEU 213 N -4.23 3.27 0.00 3.22 -0.00 -1.26 -4.93 118.68 114.76 3iby s LEU 213 Ca 0.08 -2.67 0.00 0.00 -0.00 0.00 0.00 54.13 51.54 3iby s LEU 213 Cb 0.13 -1.24 0.00 0.00 -0.00 0.00 0.00 46.19 45.08 3iby s LEU 213 CO 0.68 -0.27 0.00 0.00 -0.00 0.00 0.00 176.35 176.76 3iby n ALA 218 N 3.51 0.00 0.08 1.48 0.00 -1.26 -5.08 120.51 119.24 3iby n ALA 218 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 3iby n ALA 218 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 3iby n ALA 218 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3iby h PHE 219 N 0.00 0.51 0.00 0.00 3.57 -2.01 -3.27 116.94 115.74 3iby h PHE 219 Ca 0.00 -0.37 -0.06 0.00 3.53 0.00 0.00 57.97 61.07 3iby h PHE 219 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3iby h PHE 219 CO 0.00 1.37 -0.27 1.15 -2.23 0.00 0.00 178.31 178.33 3iby h THR 220 N 0.08 1.01 0.00 4.41 2.02 -1.97 -2.81 112.91 115.64 3iby h THR 220 Ca -0.21 -0.99 -0.18 0.00 0.77 0.00 0.00 66.41 65.80 3iby h THR 220 Cb 2.02 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.96 3iby h THR 220 CO 0.18 0.26 -0.98 -0.33 0.37 0.00 0.00 175.52 175.02 3iby h GLU 221 N 0.00 0.00 0.27 6.66 5.08 -1.92 -2.82 114.58 121.85 3iby h GLU 221 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3iby h GLU 221 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3iby h GLU 221 CO 0.04 0.67 -0.13 0.66 -1.00 0.00 0.00 179.01 179.25 3iby h SER 222 N 0.00 -0.31 -0.84 1.42 4.64 -1.59 -2.93 113.55 113.94 3iby h SER 222 Ca -0.06 -0.22 0.18 0.00 -0.47 0.00 0.00 61.79 61.22 3iby h SER 222 Cb 1.65 0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 63.71 3iby h SER 222 CO 0.09 0.16 0.35 -0.07 -0.87 0.00 0.00 176.83 176.49 3iby h LEU 223 N -0.89 0.31 -1.44 5.97 3.38 -1.61 -2.13 115.31 118.90 3iby h LEU 223 Ca -0.04 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3iby h LEU 223 Cb 0.51 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3iby h LEU 223 CO 0.06 0.05 0.24 -0.07 0.09 0.00 0.00 178.44 178.81 3iby h LEU 224 N 0.43 0.55 -0.12 1.67 3.38 -1.48 -0.48 115.31 119.25 3iby h LEU 224 Ca 0.50 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 58.20 3iby h LEU 224 Cb 0.86 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3iby h LEU 224 CO -0.48 0.45 -1.00 0.16 0.09 0.00 0.00 178.44 177.66 3iby h ILE 225 N 0.62 1.44 -0.68 1.22 3.07 -1.24 -2.81 117.51 119.13 3iby h ILE 225 Ca 0.16 -2.63 0.05 0.00 1.55 0.00 0.00 64.86 63.99 3iby h ILE 225 Cb 0.03 2.55 -0.04 0.00 -0.27 0.00 0.00 36.82 39.09 3iby h ILE 225 CO -0.03 0.78 0.45 0.50 -1.05 0.00 0.00 178.15 178.80 3iby h LYS 226 N 0.17 0.74 -0.09 0.16 3.64 -0.63 -0.10 116.57 120.46 3iby h LYS 226 Ca -0.09 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.05 3iby h LYS 226 Cb 1.66 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3iby h LYS 226 CO 0.17 0.49 -0.76 -0.07 -2.27 0.00 0.00 179.45 177.01 3iby h LEU 227 N 0.77 0.59 -0.77 5.20 3.38 -1.03 -3.11 115.31 120.33 3iby h LEU 227 Ca 0.28 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3iby h LEU 227 Cb 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3iby h LEU 227 CO -0.09 1.15 0.27 1.56 0.09 0.00 0.00 178.44 181.43 3iby h GLN 228 N 0.33 1.18 0.00 1.13 7.50 -1.16 -3.01 115.11 121.08 3iby h GLN 228 Ca -0.04 -0.24 0.00 0.00 0.50 0.00 0.00 58.65 58.88 3iby h GLN 228 Cb 1.35 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.70 3iby h GLN 228 CO 0.14 0.98 0.00 1.49 -1.50 0.00 0.00 178.83 179.93 3iby h GLU 229 N 1.14 0.00 0.00 1.46 4.81 -0.97 0.33 114.58 121.35 3iby h GLU 229 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3iby h GLU 229 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3iby h GLU 229 CO -0.01 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 178.52 3iby n THR 230 N -3.05 0.86 -3.41 0.32 -2.24 -1.14 -4.89 114.28 100.74 3iby n THR 230 Ca -0.01 0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.74 3iby n THR 230 Cb 0.21 -0.93 0.02 0.00 -2.10 0.00 0.00 70.33 67.53 3iby n THR 230 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iby n GLU 231 N -1.50 -4.50 -0.01 -0.78 1.02 0.12 -4.87 120.64 110.12 3iby n GLU 231 Ca 0.04 0.64 0.08 0.00 -0.02 0.00 0.00 57.16 57.90 3iby n GLU 231 Cb 0.19 -5.45 -0.12 0.00 -0.02 0.00 0.00 31.44 26.04 3iby n GLU 231 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3iby n GLN 232 N -4.10 0.52 -3.50 3.49 1.13 -1.26 -5.01 117.38 108.65 3iby n GLN 232 Ca -0.03 -0.14 -0.20 0.00 -1.94 0.00 0.00 57.00 54.69 3iby n GLN 232 Cb 0.56 -1.38 0.09 0.00 0.11 0.00 0.00 30.24 29.62 3iby n GLN 232 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3iby n ASN 233 N -2.04 -3.65 -0.32 1.08 5.03 -1.26 -4.83 115.26 109.27 3iby n ASN 233 Ca -0.03 -0.59 0.30 0.00 0.87 0.00 0.00 54.58 55.13 3iby n ASN 233 Cb 0.41 -5.07 0.56 0.00 -1.02 0.00 0.00 39.78 34.65 3iby n ASN 233 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3iby h LEU 234 N -2.20 0.32 -0.02 3.41 5.85 -1.87 -1.42 115.31 119.37 3iby h LEU 234 Ca -0.58 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.40 3iby h LEU 234 Cb 1.35 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 3iby h LEU 234 CO 0.52 -0.38 -0.09 -2.24 -0.34 0.00 0.00 178.44 175.91 3iby h ASP 235 N 0.06 -0.25 -0.18 1.25 -0.00 -1.84 0.35 116.42 115.82 3iby h ASP 235 Ca 0.82 0.04 0.04 0.00 -0.00 0.00 0.00 57.03 57.93 3iby h ASP 235 Cb 2.11 0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 41.51 3iby h ASP 235 CO -0.75 -0.12 -0.04 0.58 -0.00 0.00 0.00 179.24 178.91 3iby h VAL 236 N -0.14 0.82 -0.50 4.15 2.07 -1.61 -1.45 116.25 119.60 3iby h VAL 236 Ca 0.04 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3iby h VAL 236 Cb 0.19 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3iby h VAL 236 CO -0.10 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.71 3iby h LEU 237 N 0.00 0.46 -0.35 2.57 4.07 -0.69 -2.21 115.31 119.15 3iby h LEU 237 Ca 0.09 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.94 3iby h LEU 237 Cb 0.13 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3iby h LEU 237 CO -0.18 0.32 -0.24 0.25 -1.08 0.00 0.00 178.44 177.50 3iby h LEU 238 N 0.57 0.82 -0.88 1.67 6.46 -0.02 -1.70 115.31 122.23 3iby h LEU 238 Ca 0.20 -0.44 0.14 0.00 -0.12 0.00 0.00 57.88 57.67 3iby h LEU 238 Cb 0.04 -0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 39.66 3iby h LEU 238 CO -0.10 1.08 0.48 0.00 -0.62 0.00 0.00 178.44 179.28 3iby h ALA 239 N 0.76 1.33 -0.14 1.25 0.00 -1.20 0.49 119.26 121.74 3iby h ALA 239 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iby h ALA 239 Cb 0.81 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3iby h ALA 239 CO 0.07 -0.01 -0.03 0.22 0.00 0.00 0.00 179.25 179.50 3iby h ASP 240 N 0.71 0.27 -0.11 0.00 3.58 -1.01 -0.34 116.42 119.52 3iby h ASP 240 Ca 0.47 -0.36 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3iby h ASP 240 Cb 0.60 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 3iby h ASP 240 CO -0.33 0.57 -0.07 0.00 -2.88 0.00 0.00 179.24 176.52 3iby h ALA 241 N 0.72 1.40 -0.21 -0.78 0.00 -0.93 0.17 119.26 119.62 3iby h ALA 241 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3iby h ALA 241 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iby h ALA 241 CO 0.01 0.41 0.00 -0.09 0.00 0.00 0.00 179.25 179.59 3iby h ARG 242 N 0.39 0.37 -0.77 0.00 2.43 -0.81 -2.97 114.38 113.02 3iby h ARG 242 Ca 0.08 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3iby h ARG 242 Cb 0.38 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3iby h ARG 242 CO 0.02 0.56 0.47 -0.92 -1.51 0.00 0.00 179.97 178.59 3iby h TYR 243 N 0.14 0.88 -0.51 2.20 3.20 -0.45 -2.58 116.97 119.85 3iby h TYR 243 Ca 0.06 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 3iby h TYR 243 Cb 0.39 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3iby h TYR 243 CO 0.03 0.48 -0.10 1.96 -1.64 0.00 0.00 178.16 178.89 3iby h GLN 244 N 0.90 0.97 -0.25 1.82 4.20 -0.56 0.26 115.11 122.46 3iby h GLN 244 Ca 0.32 -0.36 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3iby h GLN 244 Cb 0.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3iby h GLN 244 CO -0.14 1.03 -0.28 -0.22 -0.67 0.00 0.00 178.83 178.55 3iby h LYS 245 N 0.84 0.49 0.05 1.46 1.63 -1.52 0.15 116.57 119.66 3iby h LYS 245 Ca 0.13 -0.20 -0.16 0.00 -0.85 0.00 0.00 60.65 59.57 3iby h LYS 245 Cb 0.66 -0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.28 3iby h LYS 245 CO 0.05 0.73 -0.67 0.82 -3.45 0.00 0.00 179.45 176.93 3iby h ILE 246 N 0.43 1.46 -0.77 2.00 2.04 -1.03 -1.30 117.51 120.34 3iby h ILE 246 Ca 0.06 -2.24 0.06 0.00 1.00 0.00 0.00 64.86 63.74 3iby h ILE 246 Cb 0.71 2.82 -0.06 0.00 -0.74 0.00 0.00 36.82 39.55 3iby h ILE 246 CO 0.05 0.64 0.46 -0.74 0.00 0.00 0.00 178.15 178.57 3iby h HIS 247 N -0.21 0.84 -0.73 1.37 2.76 -0.33 -0.74 115.15 118.11 3iby h HIS 247 Ca -0.10 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.04 3iby h HIS 247 Cb 1.42 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 30.08 3iby h HIS 247 CO 0.17 0.42 0.22 1.49 -1.30 0.00 0.00 177.93 178.92 3iby h GLU 248 N 0.84 1.14 -0.37 5.26 4.81 -0.64 -1.56 114.58 124.05 3iby h GLU 248 Ca 0.34 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3iby h GLU 248 Cb 0.18 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3iby h GLU 248 CO -0.18 0.97 -0.11 0.82 -0.73 0.00 0.00 179.01 179.78 3iby h ILE 249 N 1.09 1.25 -0.11 2.32 2.04 -0.36 -2.88 117.51 120.87 3iby h ILE 249 Ca 0.24 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3iby h ILE 249 Cb 0.32 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3iby h ILE 249 CO -0.01 0.37 -0.02 0.58 0.00 0.00 0.00 178.15 179.07 3iby h VAL 250 N 0.60 1.29 -0.18 1.67 2.07 -0.74 -2.73 116.25 118.22 3iby h VAL 250 Ca 0.11 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3iby h VAL 250 Cb 0.55 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3iby h VAL 250 CO 0.03 0.27 0.18 0.71 0.02 0.00 0.00 177.57 178.78 3iby h THR 251 N -0.12 0.56 0.00 2.57 1.35 -1.22 0.21 112.91 116.26 3iby h THR 251 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.85 3iby h THR 251 Cb 0.43 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 3iby h THR 251 CO 0.01 0.00 -0.34 -0.07 -0.25 0.00 0.00 175.52 174.87 3iby h LEU 252 N 0.00 0.00 0.00 3.87 3.38 -1.29 -3.40 115.31 117.87 3iby h LEU 252 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3iby h LEU 252 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3iby h LEU 252 CO -0.00 0.18 -1.15 0.52 0.09 0.00 0.00 178.44 178.08 3iby n VAL 253 N -3.08 0.06 -4.75 1.22 0.31 -0.40 -4.93 118.33 106.76 3iby n VAL 253 Ca 0.02 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 63.97 3iby n VAL 253 Cb 0.61 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.37 3iby n VAL 253 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3iby s GLN 254 N -2.16 2.52 -0.03 5.55 0.74 0.60 -1.27 119.66 125.61 3iby s GLN 254 Ca -0.01 -0.68 0.04 0.00 0.05 0.00 0.00 55.36 54.76 3iby s GLN 254 Cb 0.02 -2.02 -0.03 0.00 1.10 0.00 0.00 33.01 32.07 3iby s GLN 254 CO 0.12 0.03 -0.15 -1.59 -0.55 0.00 0.00 175.29 173.16 3iby s LYS 255 N 0.70 2.41 0.00 1.67 -2.85 -1.01 -4.64 119.74 116.03 3iby s LYS 255 Ca -0.12 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 3iby s LYS 255 Cb -0.16 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 3iby s LYS 255 CO 0.02 0.60 0.00 1.63 0.10 0.00 0.00 175.35 177.71