#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 3.02 -0.10 -1.42 2.46 -1.26 -0.85 115.29 117.15 3iby s HIS 3 Ca 0.00 -0.54 0.01 0.00 0.47 0.00 0.00 55.06 55.00 3iby s HIS 3 Cb 0.00 -2.09 -0.02 0.00 -0.13 0.00 0.00 32.58 30.34 3iby s HIS 3 CO 0.00 -0.30 -0.13 0.00 -2.47 0.00 0.00 174.74 171.84 3iby s ALA 4 N 1.10 2.67 -0.15 1.58 0.00 0.19 -0.47 121.76 126.69 3iby s ALA 4 Ca 0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 3iby s ALA 4 Cb -0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 3iby s ALA 4 CO 0.01 0.38 0.12 -0.51 0.00 0.00 0.00 175.76 175.77 3iby s LEU 5 N -0.13 4.25 -0.38 0.00 1.43 -0.90 -1.33 118.68 121.62 3iby s LEU 5 Ca -0.01 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 3iby s LEU 5 Cb -0.14 -2.05 0.05 0.00 0.03 0.00 0.00 46.19 44.08 3iby s LEU 5 CO 0.03 0.32 0.19 -0.22 0.23 0.00 0.00 176.35 176.90 3iby s LEU 6 N -0.52 4.72 0.04 1.79 2.96 -0.16 -0.33 118.68 127.19 3iby s LEU 6 Ca 0.12 -1.22 0.07 0.00 -0.22 0.00 0.00 54.13 52.88 3iby s LEU 6 Cb -0.12 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3iby s LEU 6 CO 0.02 -0.41 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.79 3iby s ILE 7 N 1.45 1.69 -0.00 6.68 1.01 -0.56 -0.84 121.20 130.64 3iby s ILE 7 Ca 0.01 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.41 3iby s ILE 7 Cb -0.21 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.81 3iby s ILE 7 CO 0.04 0.22 0.17 0.61 0.00 0.00 0.00 174.94 175.97 3iby n GLY 8 N 1.85 0.59 3.72 6.18 0.00 -1.26 -1.02 105.19 115.24 3iby n GLY 8 Ca -0.17 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.38 3.21 0.66 1.61 -0.87 -1.24 -2.29 114.94 114.64 3iby s ASN 9 Ca 0.04 1.29 -0.16 0.00 -1.57 0.00 0.00 52.86 52.46 3iby s ASN 9 Cb -0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 41.25 39.27 3iby s ASN 9 CO -0.00 -2.78 1.14 -2.84 -2.57 0.00 0.00 177.10 170.05 3iby s PRO 10 N -5.00 2.69 -1.23 -0.60 0.02 -1.26 -3.98 135.00 125.64 3iby s PRO 10 Ca 0.64 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 63.15 3iby s PRO 10 Cb -0.18 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3iby s PRO 10 CO 0.57 -1.36 1.05 0.09 -0.33 0.00 0.00 177.00 177.02 3iby n ASN 11 N -2.34 -4.01 -0.25 2.53 3.02 -1.26 -4.90 115.26 108.04 3iby n ASN 11 Ca 0.11 -0.56 0.03 0.00 -0.03 0.00 0.00 54.58 54.13 3iby n ASN 11 Cb 0.51 -4.94 0.07 0.00 -0.61 0.00 0.00 39.78 34.81 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 -0.19 0.21 0.31 0.00 0.00 -1.26 -4.57 105.19 99.69 3iby n GLY 13 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 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 0.82 -0.17 1.61 3.64 -1.91 -1.57 116.57 118.98 3iby h LYS 14 Ca -0.15 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 58.94 3iby h LYS 14 Cb 1.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3iby h LYS 14 CO 0.18 0.67 -0.58 1.15 -2.27 0.00 0.00 179.45 178.60 3iby h THR 15 N 0.81 1.33 -0.09 1.00 2.02 -1.98 -1.52 112.91 114.47 3iby h THR 15 Ca 0.19 -1.85 0.01 0.00 0.77 0.00 0.00 66.41 65.53 3iby h THR 15 Cb 0.15 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3iby h THR 15 CO -0.02 0.57 0.02 0.74 0.37 0.00 0.00 175.52 177.20 3iby h THR 16 N 0.41 0.96 -0.22 3.16 2.02 -1.81 0.30 112.91 117.73 3iby h THR 16 Ca 0.00 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3iby h THR 16 Cb 1.13 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3iby h THR 16 CO 0.11 0.01 0.08 0.25 0.37 0.00 0.00 175.52 176.33 3iby h LEU 17 N 0.06 0.09 -0.63 2.58 5.85 -1.24 0.20 115.31 122.22 3iby h LEU 17 Ca 0.04 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3iby h LEU 17 Cb 0.03 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3iby h LEU 17 CO -0.05 0.08 0.30 0.15 -0.34 0.00 0.00 178.44 178.57 3iby h PHE 18 N 0.18 0.53 -0.76 1.25 3.57 -0.96 0.14 116.94 120.90 3iby h PHE 18 Ca 0.09 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3iby h PHE 18 Cb 0.06 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3iby h PHE 18 CO -0.12 0.20 0.28 -0.91 -2.23 0.00 0.00 178.31 175.53 3iby h ASN 19 N 0.53 1.06 -0.46 0.41 2.35 0.46 -1.87 115.58 118.07 3iby h ASN 19 Ca 0.30 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3iby h ASN 19 Cb 0.29 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3iby h ASN 19 CO -0.24 0.96 0.03 0.00 -1.65 0.00 0.00 177.43 176.53 3iby h ALA 20 N 1.19 1.08 -0.17 -0.83 0.00 0.92 0.40 119.26 121.84 3iby h ALA 20 Ca 0.25 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3iby h ALA 20 Cb 0.25 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iby h ALA 20 CO -0.02 0.59 -0.71 -0.07 0.00 0.00 0.00 179.25 179.04 3iby h LEU 21 N 0.80 0.87 0.00 0.00 3.38 -0.69 -3.39 115.31 116.28 3iby h LEU 21 Ca 0.16 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3iby h LEU 21 Cb 0.44 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3iby h LEU 21 CO 0.02 1.33 -0.96 0.35 0.09 0.00 0.00 178.44 179.27 3iby n THR 22 N -3.94 0.00 0.00 0.22 -2.24 -0.71 -4.62 114.28 102.99 3iby n THR 22 Ca -0.06 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3iby n THR 22 Cb 0.71 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.54 0.00 -0.44 3.42 3.02 0.14 -0.08 115.26 119.78 3iby n ASN 23 Ca -0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 3iby n ASN 23 Cb 0.18 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 39.91 3iby n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iby n ALA 24 N 10.73 2.58 -2.69 5.41 0.00 -1.26 -4.45 120.51 130.83 3iby n ALA 24 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 3iby n ALA 24 Cb 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 0.07 5.58 -3.63 0.00 3.02 0.88 -4.91 115.26 116.27 3iby n ASN 25 Ca 0.19 -3.19 -0.10 0.00 -0.03 0.00 0.00 54.58 51.45 3iby n ASN 25 Cb 0.33 -1.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.04 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 -0.65 1.12 0.34 3.52 -2.07 -1.26 -1.77 119.66 118.89 3iby s GLN 26 Ca 0.36 -0.71 -0.05 0.00 -1.82 0.00 0.00 55.36 53.14 3iby s GLN 26 Cb 0.05 0.48 0.02 0.00 -1.09 0.00 0.00 33.01 32.48 3iby s GLN 26 CO 0.03 -0.45 0.54 2.89 -1.32 0.00 0.00 175.29 176.99 3iby n ARG 27 N -0.25 0.78 -4.43 9.60 1.85 0.44 -4.97 116.66 119.69 3iby n ARG 27 Ca -0.15 -2.48 -0.23 0.00 -1.00 0.00 0.00 57.85 53.99 3iby n ARG 27 Cb 0.64 2.56 -0.16 0.00 -1.05 0.00 0.00 32.46 34.45 3iby n ARG 27 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3iby s VAL 28 N -2.61 0.90 0.00 8.89 1.01 -1.26 -2.70 120.40 124.63 3iby s VAL 28 Ca 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3iby s VAL 28 Cb -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3iby s VAL 28 CO 0.17 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3iby n GLY 29 N 3.83 5.14 3.84 4.51 0.00 -0.72 -4.95 105.19 116.84 3iby n GLY 29 Ca -0.23 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 0.35 5.86 0.89 1.61 -0.87 -1.26 0.28 114.94 121.80 3iby s ASN 30 Ca 0.00 0.08 -0.11 0.00 -1.57 0.00 0.00 52.86 51.26 3iby s ASN 30 Cb 0.00 -1.67 0.12 0.00 -0.02 0.00 0.00 41.25 39.68 3iby s ASN 30 CO 0.00 0.15 1.10 0.79 -2.57 0.00 0.00 177.10 176.57 3iby n TRP 31 N 0.24 0.77 -2.59 2.20 7.02 0.28 -4.59 117.44 120.77 3iby n TRP 31 Ca -0.07 0.39 -0.41 0.00 -1.02 0.00 0.00 57.50 56.38 3iby n TRP 31 Cb 0.52 -2.01 -0.04 0.00 -2.42 0.00 0.00 31.31 27.36 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 -4.42 4.60 0.00 -0.99 0.04 -1.26 -2.96 135.00 130.02 3iby s PRO 32 Ca 0.68 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3iby s PRO 32 Cb -0.24 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3iby s PRO 32 CO 0.57 0.06 0.00 0.41 0.04 0.00 0.00 177.00 178.08 3iby n GLY 33 N 2.35 1.65 3.48 0.56 0.00 -1.26 -4.95 105.19 107.02 3iby n GLY 33 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3iby n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iby s VAL 34 N -3.22 0.83 -1.40 1.61 -7.23 -1.16 -5.06 120.40 104.77 3iby s VAL 34 Ca 0.00 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.31 3iby s VAL 34 Cb 0.00 -2.53 0.30 0.00 0.56 0.00 0.00 36.38 34.71 3iby s VAL 34 CO 0.00 0.00 1.20 0.35 -0.31 0.00 0.00 175.10 176.34 3iby n THR 35 N -0.81 0.65 -2.15 5.32 -2.24 -1.26 -4.51 114.28 109.27 3iby n THR 35 Ca -0.05 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.48 3iby n THR 35 Cb 0.66 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.07 3.81 0.36 2.28 1.01 -1.26 -4.88 120.40 120.65 3iby s VAL 36 Ca 0.25 0.96 -0.27 0.00 0.00 0.00 0.00 61.98 62.92 3iby s VAL 36 Cb 0.14 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 3iby s VAL 36 CO 0.19 -0.16 1.23 -1.61 0.00 0.00 0.00 175.10 174.75 3iby s GLU 37 N 4.10 4.22 -0.18 2.72 2.02 -1.26 -0.56 118.70 129.76 3iby s GLU 37 Ca 0.68 2.01 -0.03 0.00 0.02 0.00 0.00 54.97 57.65 3iby s GLU 37 Cb -0.27 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.04 3iby s GLU 37 CO 0.25 -0.23 -0.04 0.21 0.02 0.00 0.00 175.26 175.47 3iby s LYS 38 N -2.00 3.52 -0.25 1.61 2.20 0.79 -4.67 119.74 120.94 3iby s LYS 38 Ca 0.52 -0.58 -0.14 0.00 -0.36 0.00 0.00 55.97 55.42 3iby s LYS 38 Cb -0.35 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 3iby s LYS 38 CO 0.45 0.05 0.30 0.15 -0.36 0.00 0.00 175.35 175.95 3iby s LYS 39 N 0.86 4.04 0.06 4.03 3.01 -1.26 -1.75 119.74 128.73 3iby s LYS 39 Ca -0.01 -0.05 0.03 0.00 -1.01 0.00 0.00 55.97 54.93 3iby s LYS 39 Cb -0.15 -3.61 -0.03 0.00 -1.01 0.00 0.00 37.83 33.03 3iby s LYS 39 CO 0.01 -0.15 -0.10 0.95 0.51 0.00 0.00 175.35 176.57 3iby s THR 40 N 1.68 0.77 0.30 2.17 -4.23 -1.10 -1.05 115.64 114.19 3iby s THR 40 Ca 0.13 -1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 59.27 3iby s THR 40 Cb -0.15 -0.85 0.06 0.00 1.34 0.00 0.00 72.50 72.89 3iby s THR 40 CO 0.09 -0.35 0.76 0.61 -0.54 0.00 0.00 174.62 175.19 3iby n GLY 41 N 1.29 0.98 3.22 3.99 0.00 -0.37 -0.42 105.19 113.88 3iby n GLY 41 Ca -0.21 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.07 0.82 0.09 1.61 1.03 -0.73 0.09 118.70 119.55 3iby s GLU 42 Ca 0.16 -0.78 -0.10 0.00 0.03 0.00 0.00 54.97 54.28 3iby s GLU 42 Cb -0.04 0.34 0.00 0.00 -0.80 0.00 0.00 34.13 33.64 3iby s GLU 42 CO 0.09 -0.26 0.22 -0.59 -1.33 0.00 0.00 175.26 173.39 3iby s PHE 43 N -3.30 0.09 -0.05 4.83 -0.71 -0.50 -4.69 117.98 113.65 3iby s PHE 43 Ca 0.01 -0.50 -0.13 0.00 -1.04 0.00 0.00 56.93 55.27 3iby s PHE 43 Cb 0.02 -0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.77 3iby s PHE 43 CO -0.08 -0.57 0.34 -0.51 -1.34 0.00 0.00 175.22 173.06 3iby s LEU 44 N -2.83 4.42 -0.68 -1.99 1.43 -1.26 -1.03 118.68 116.73 3iby s LEU 44 Ca 0.04 0.79 0.05 0.00 -1.03 0.00 0.00 54.13 53.99 3iby s LEU 44 Cb 0.04 -2.46 0.17 0.00 0.03 0.00 0.00 46.19 43.98 3iby s LEU 44 CO -0.11 0.30 0.50 -0.11 0.23 0.00 0.00 176.35 177.15 3iby n LEU 45 N 2.18 2.75 0.00 1.79 7.94 0.19 -4.99 117.00 126.86 3iby n LEU 45 Ca -0.15 -5.15 0.00 0.00 -1.11 0.00 0.00 56.01 49.60 3iby n LEU 45 Cb 0.53 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.85 3iby n LEU 45 CO 0.37 1.78 0.00 0.61 -1.11 0.00 0.00 177.39 179.04 3iby n GLY 46 N 1.97 1.50 0.00 -3.96 0.00 -1.26 -2.62 105.19 100.83 3iby n GLY 46 Ca 0.21 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.37 3iby n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iby n GLU 47 N 0.00 0.10 -2.97 1.61 1.02 -1.26 -4.92 120.64 114.21 3iby n GLU 47 Ca 0.00 -0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.71 3iby n GLU 47 Cb 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 3iby n GLU 47 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3iby s HIS 48 N -3.08 3.53 -0.05 -0.32 3.76 -1.08 -5.06 115.29 113.00 3iby s HIS 48 Ca 0.06 1.28 -0.27 0.00 -0.15 0.00 0.00 55.06 55.98 3iby s HIS 48 Cb 0.16 -2.89 -0.03 0.00 1.11 0.00 0.00 32.58 30.93 3iby s HIS 48 CO 0.85 -0.02 0.87 -1.17 -0.85 0.00 0.00 174.74 174.42 3iby s LEU 49 N 1.24 4.32 -0.19 0.89 2.96 -1.26 -0.63 118.68 126.00 3iby s LEU 49 Ca 0.39 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.74 3iby s LEU 49 Cb -0.18 -3.37 0.02 0.00 0.50 0.00 0.00 46.19 43.17 3iby s LEU 49 CO 0.17 -0.25 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.14 3iby s ILE 50 N 1.19 2.16 -0.02 6.68 -1.09 -0.20 -2.19 121.20 127.73 3iby s ILE 50 Ca 0.45 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.85 3iby s ILE 50 Cb -0.19 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 3iby s ILE 50 CO 0.22 0.50 0.25 -1.61 -1.23 0.00 0.00 174.94 173.07 3iby s GLU 51 N 1.29 3.58 -0.01 2.79 2.02 -0.03 -1.40 118.70 126.95 3iby s GLU 51 Ca 0.04 -0.04 0.03 0.00 0.02 0.00 0.00 54.97 55.02 3iby s GLU 51 Cb -0.14 -3.12 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 3iby s GLU 51 CO -0.12 0.68 -0.10 0.96 0.02 0.00 0.00 175.26 176.70 3iby s ILE 52 N -1.22 0.80 -0.13 -1.63 -4.36 0.11 -0.64 121.20 114.13 3iby s ILE 52 Ca 0.24 -0.42 -0.01 0.00 -0.26 0.00 0.00 60.65 60.19 3iby s ILE 52 Cb -0.13 -0.67 -0.02 0.00 1.25 0.00 0.00 42.46 42.88 3iby s ILE 52 CO 0.13 0.23 -0.09 -0.89 0.24 0.00 0.00 174.94 174.56 3iby s THR 53 N -0.19 3.43 -0.05 8.37 2.01 -0.44 -1.23 115.64 127.54 3iby s THR 53 Ca 0.03 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 3iby s THR 53 Cb -0.04 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3iby s THR 53 CO -0.00 0.52 0.66 -0.62 -0.69 0.00 0.00 174.62 174.49 3iby s ASP 54 N 0.22 6.96 -0.09 3.53 2.15 -0.22 -0.99 116.67 128.24 3iby s ASP 54 Ca -0.06 1.16 -0.01 0.00 0.43 0.00 0.00 52.55 54.07 3iby s ASP 54 Cb -0.15 -2.39 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 3iby s ASP 54 CO 0.04 -0.05 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.21 3iby s LEU 55 N 0.54 3.48 0.38 -1.34 1.43 -0.02 -4.55 118.68 118.60 3iby s LEU 55 Ca 0.35 0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.29 3iby s LEU 55 Cb -0.18 -1.79 -0.11 0.00 0.03 0.00 0.00 46.19 44.14 3iby s LEU 55 CO 0.17 0.37 1.14 -2.65 0.23 0.00 0.00 176.35 175.61 3iby n PRO 56 N 2.23 1.67 -1.81 1.29 -0.02 -1.26 -4.67 135.00 132.43 3iby n PRO 56 Ca -0.18 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 3iby n PRO 56 Cb 0.53 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3iby n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3iby s GLY 57 N -0.56 2.83 0.05 -1.23 0.00 -1.26 -4.76 107.32 102.39 3iby s GLY 57 Ca 0.60 1.57 -0.07 0.00 0.00 0.00 0.00 44.72 46.82 3iby s GLY 57 CO 0.59 2.30 0.13 -1.34 0.00 0.00 0.00 173.10 174.78 3iby s VAL 58 N -0.96 0.14 -0.03 1.40 -7.23 -0.97 -4.53 120.40 108.21 3iby s VAL 58 Ca 0.54 -1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 59.37 3iby s VAL 58 Cb -0.47 -1.04 -0.24 0.00 0.56 0.00 0.00 36.38 35.20 3iby s VAL 58 CO 0.61 -0.62 1.04 0.22 -0.31 0.00 0.00 175.10 176.04 3iby h TYR 59 N 3.38 0.39 -3.60 2.82 3.20 -1.95 -3.30 116.97 117.91 3iby h TYR 59 Ca -0.33 -0.21 -0.12 0.00 3.14 0.00 0.00 58.73 61.21 3iby h TYR 59 Cb 1.19 -0.04 -0.18 0.00 1.54 0.00 0.00 36.73 39.23 3iby h TYR 59 CO 0.51 1.03 -0.43 0.45 -1.64 0.00 0.00 178.16 178.07 3iby s SER 60 N -6.49 0.06 0.15 -2.11 0.15 -1.26 -3.83 113.70 100.38 3iby s SER 60 Ca -0.15 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 56.39 3iby s SER 60 Cb 0.02 0.26 0.93 0.00 -1.71 0.00 0.00 66.02 65.52 3iby s SER 60 CO 0.77 -0.52 1.78 0.18 1.20 0.00 0.00 173.24 176.66 3iby n LEU 61 N 0.83 0.54 0.24 3.45 4.77 -1.26 -4.99 117.00 120.58 3iby n LEU 61 Ca -0.19 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.43 3iby n LEU 61 Cb 0.58 -0.42 0.60 0.00 -2.33 0.00 0.00 43.42 41.86 3iby n LEU 61 CO 0.22 -0.20 0.95 0.58 -1.33 0.00 0.00 177.39 177.61 3iby h VAL 62 N 0.00 0.95 -2.67 4.08 2.07 -1.96 -3.45 116.25 115.28 3iby h VAL 62 Ca 0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3iby h VAL 62 Cb 0.59 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3iby h VAL 62 CO 0.00 0.13 -0.33 -1.54 0.02 0.00 0.00 177.57 175.86 3iby n SER 69 N -4.16 -3.04 -0.31 0.57 3.41 -1.26 -4.99 113.62 103.85 3iby n SER 69 Ca -0.02 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 3iby n SER 69 Cb 0.21 -2.77 0.31 0.00 -0.26 0.00 0.00 64.21 61.70 3iby n SER 69 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3iby h GLN 70 N 1.07 0.40 -0.28 4.33 5.75 -2.03 0.32 115.11 124.67 3iby h GLN 70 Ca 0.00 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 3iby h GLN 70 Cb 0.05 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 3iby h GLN 70 CO 0.00 0.26 -0.34 -0.44 -2.65 0.00 0.00 178.83 175.66 3iby h ASP 71 N 0.41 0.64 -0.37 -0.69 3.32 -1.98 -0.14 116.42 117.60 3iby h ASP 71 Ca 0.56 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 3iby h ASP 71 Cb 1.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3iby h ASP 71 CO -0.52 0.93 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.84 3iby h GLU 72 N 0.52 0.66 0.24 3.56 4.81 -1.56 -1.70 114.58 121.11 3iby h GLU 72 Ca 0.06 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3iby h GLU 72 Cb 0.83 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3iby h GLU 72 CO 0.07 0.77 -0.28 0.37 -0.73 0.00 0.00 179.01 179.21 3iby h GLN 73 N 0.48 -0.54 -0.85 1.92 4.15 -0.76 -2.06 115.11 117.46 3iby h GLN 73 Ca 0.11 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.67 3iby h GLN 73 Cb 0.47 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.23 3iby h GLN 73 CO 0.02 -0.36 0.55 0.82 -1.93 0.00 0.00 178.83 177.93 3iby h ILE 74 N -0.56 0.93 -0.05 2.39 2.04 -0.78 -1.29 117.51 120.19 3iby h ILE 74 Ca 0.00 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 3iby h ILE 74 Cb 0.54 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3iby h ILE 74 CO -0.09 0.14 -0.24 0.00 0.00 0.00 0.00 178.15 177.96 3iby h ALA 75 N 1.59 0.09 -0.49 1.87 0.00 -1.23 -2.50 119.26 118.59 3iby h ALA 75 Ca 0.40 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3iby h ALA 75 Cb 0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3iby h ALA 75 CO -0.17 0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.43 3iby h ALA 76 N 0.39 0.62 0.00 0.00 0.00 -0.53 -2.54 119.26 117.20 3iby h ALA 76 Ca -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3iby h ALA 76 Cb 0.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3iby h ALA 76 CO 0.05 -0.10 -0.27 -0.56 0.00 0.00 0.00 179.25 178.37 3iby h GLN 77 N 0.49 0.00 -0.24 0.00 3.07 -1.41 -3.31 115.11 113.72 3iby h GLN 77 Ca 0.21 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.80 3iby h GLN 77 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 3iby h GLN 77 CO -0.15 0.27 -0.49 0.77 0.09 0.00 0.00 178.83 179.33 3iby h SER 78 N 0.00 0.69 0.08 0.06 0.02 -1.04 0.29 113.55 113.66 3iby h SER 78 Ca -0.00 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3iby h SER 78 Cb 1.16 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 3iby h SER 78 CO 0.03 1.06 -0.03 0.58 -1.14 0.00 0.00 176.83 177.34 3iby h VAL 79 N 0.50 0.51 0.00 2.27 2.07 -1.57 -0.92 116.25 119.10 3iby h VAL 79 Ca 0.02 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3iby h VAL 79 Cb 1.03 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3iby h VAL 79 CO 0.10 0.02 -0.45 0.40 0.02 0.00 0.00 177.57 177.66 3iby h ILE 80 N 0.00 0.45 0.00 4.57 1.08 -1.39 -3.42 117.51 118.80 3iby h ILE 80 Ca -0.00 -1.44 -0.00 0.00 -0.39 0.00 0.00 64.86 63.03 3iby h ILE 80 Cb 0.07 0.96 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3iby h ILE 80 CO 0.00 0.15 -0.01 0.44 -0.69 0.00 0.00 178.15 178.05 3iby h ASP 81 N -1.00 0.00 -3.26 1.72 3.45 -0.19 -3.45 116.42 113.69 3iby h ASP 81 Ca -0.07 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.82 3iby h ASP 81 Cb 0.61 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.34 3iby h ASP 81 CO -0.04 0.01 -0.16 -0.76 -1.57 0.00 0.00 179.24 176.71 3iby s LEU 82 N -6.21 4.31 -0.29 1.55 1.43 -0.38 -5.03 118.68 114.07 3iby s LEU 82 Ca 0.04 0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 3iby s LEU 82 Cb 0.07 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 43.06 3iby s LEU 82 CO 0.61 0.09 1.01 -1.61 0.23 0.00 0.00 176.35 176.68 3iby s GLU 83 N -2.12 4.12 0.11 1.70 2.02 -1.26 -4.94 118.70 118.32 3iby s GLU 83 Ca 0.38 1.08 -0.07 0.00 0.02 0.00 0.00 54.97 56.38 3iby s GLU 83 Cb -0.14 -3.70 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 3iby s GLU 83 CO 0.19 -0.77 0.17 1.52 0.02 0.00 0.00 175.26 176.40 3iby s TYR 84 N 3.37 0.37 -0.16 1.61 1.13 -1.26 -4.92 117.35 117.48 3iby s TYR 84 Ca 0.42 -0.78 0.13 0.00 -1.41 0.00 0.00 57.07 55.43 3iby s TYR 84 Cb -0.13 -0.16 -0.19 0.00 -1.10 0.00 0.00 41.96 40.38 3iby s TYR 84 CO 0.12 -0.57 0.04 -0.25 -2.51 0.00 0.00 175.55 172.37 3iby n ASP 85 N -0.09 1.13 -3.76 -0.18 8.00 0.39 -4.97 116.55 117.06 3iby n ASP 85 Ca -0.11 -0.01 -0.05 0.00 0.71 0.00 0.00 54.79 55.33 3iby n ASP 85 Cb 0.63 0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 42.53 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 -3.53 2.07 -0.45 0.00 1.01 -0.06 -2.12 121.20 118.12 3iby s ILE 87 Ca 0.11 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3iby s ILE 87 Cb -0.03 -1.73 0.09 0.00 0.01 0.00 0.00 42.46 40.80 3iby s ILE 87 CO 0.03 0.57 0.33 -0.63 0.00 0.00 0.00 174.94 175.24 3iby s ILE 88 N -0.37 4.52 -0.48 2.92 1.01 0.56 -1.09 121.20 128.27 3iby s ILE 88 Ca 0.03 -1.42 -0.22 0.00 0.00 0.00 0.00 60.65 59.04 3iby s ILE 88 Cb -0.12 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.58 3iby s ILE 88 CO 0.02 -0.61 0.77 0.21 0.00 0.00 0.00 174.94 175.33 3iby s ASN 89 N 2.47 6.34 -0.15 3.58 2.47 -0.14 -1.49 114.94 128.02 3iby s ASN 89 Ca 0.04 -0.36 -0.25 0.00 0.42 0.00 0.00 52.86 52.71 3iby s ASN 89 Cb -0.25 -2.37 -0.02 0.00 -1.45 0.00 0.00 41.25 37.16 3iby s ASN 89 CO 0.03 -0.97 0.81 -0.69 -3.72 0.00 0.00 177.10 172.55 3iby s VAL 90 N 3.27 4.91 -0.08 -5.21 1.01 -0.19 -0.09 120.40 124.03 3iby s VAL 90 Ca 0.26 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.89 3iby s VAL 90 Cb -0.14 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 3iby s VAL 90 CO 0.19 0.07 -0.24 -0.63 0.00 0.00 0.00 175.10 174.49 3iby s ILE 91 N 1.90 1.99 -0.31 2.22 1.01 0.13 -4.14 121.20 124.00 3iby s ILE 91 Ca 0.38 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 3iby s ILE 91 Cb -0.17 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.60 3iby s ILE 91 CO 0.14 0.55 0.93 -0.62 0.00 0.00 0.00 174.94 175.93 3iby s ASP 92 N 0.13 6.80 0.60 3.58 -1.08 -1.26 0.61 116.67 126.04 3iby s ASP 92 Ca -0.12 0.86 0.31 0.00 -0.52 0.00 0.00 52.55 53.09 3iby s ASP 92 Cb -0.16 -2.47 1.87 0.00 -1.46 0.00 0.00 42.92 40.70 3iby s ASP 92 CO 0.06 -0.74 2.24 0.00 0.52 0.00 0.00 175.17 177.26 3iby h ALA 93 N 8.08 1.51 0.00 3.66 0.00 -1.07 0.24 119.26 131.67 3iby h ALA 93 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iby h ALA 93 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3iby h ALA 93 CO 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 180.14 3iby n HIS 95 N -2.55 0.80 0.28 0.00 8.25 0.83 -4.99 115.22 117.85 3iby n HIS 95 Ca 0.01 -3.15 -0.11 0.00 -0.26 0.00 0.00 57.72 54.21 3iby n HIS 95 Cb 0.24 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 30.91 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 3.00 -0.61 -0.50 2.41 5.85 -1.71 -1.50 115.31 122.25 3iby h LEU 96 Ca -0.03 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3iby h LEU 96 Cb 1.11 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 3iby h LEU 96 CO 0.50 -0.42 -0.56 -0.08 -0.34 0.00 0.00 178.44 177.54 3iby h GLU 97 N -0.75 -0.33 -0.34 1.25 4.81 -1.94 -0.83 114.58 116.45 3iby h GLU 97 Ca -0.07 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3iby h GLU 97 Cb 0.55 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 3iby h GLU 97 CO 0.12 -0.22 -0.31 -0.09 -0.73 0.00 0.00 179.01 177.78 3iby h ARG 98 N -0.34 -0.13 0.00 1.92 9.65 -1.99 -2.56 114.38 120.93 3iby h ARG 98 Ca 0.09 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3iby h ARG 98 Cb 0.57 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3iby h ARG 98 CO -0.65 -0.09 -0.02 0.45 2.80 0.00 0.00 179.97 182.47 3iby h HIS 99 N -0.13 0.00 0.00 2.20 3.86 -0.44 -2.20 115.15 118.43 3iby h HIS 99 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3iby h HIS 99 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3iby h HIS 99 CO -0.79 0.02 0.00 -0.11 0.86 0.00 0.00 177.93 177.91 3iby n LEU 100 N -3.29 0.27 0.05 2.43 7.94 -0.39 -3.06 117.00 120.95 3iby n LEU 100 Ca -0.02 0.54 -0.13 0.00 -1.11 0.00 0.00 56.01 55.29 3iby n LEU 100 Cb 0.14 -0.47 -0.08 0.00 0.53 0.00 0.00 43.42 43.54 3iby n LEU 100 CO 0.24 -0.18 0.79 0.22 -1.11 0.00 0.00 177.39 177.35 3iby h TYR 101 N 0.00 -0.06 -0.11 1.96 3.20 -1.43 -2.64 116.97 117.89 3iby h TYR 101 Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3iby h TYR 101 Cb 0.47 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3iby h TYR 101 CO 0.00 0.09 -0.17 1.25 -1.64 0.00 0.00 178.16 177.69 3iby h LEU 102 N -0.19 -0.54 -0.95 2.82 5.85 -1.64 -2.75 115.31 117.91 3iby h LEU 102 Ca -0.01 0.09 0.25 0.00 0.84 0.00 0.00 57.88 59.05 3iby h LEU 102 Cb 0.17 0.25 -0.13 0.00 0.37 0.00 0.00 40.66 41.32 3iby h LEU 102 CO 0.01 -0.22 0.47 0.74 -0.34 0.00 0.00 178.44 179.10 3iby h THR 103 N -0.23 0.45 -0.28 1.05 2.02 -1.60 0.20 112.91 114.53 3iby h THR 103 Ca 0.09 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 3iby h THR 103 Cb 0.36 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3iby h THR 103 CO -0.25 0.08 -0.16 0.77 0.37 0.00 0.00 175.52 176.33 3iby h SER 104 N 0.42 0.47 -0.18 4.18 4.64 -1.17 -1.93 113.55 119.98 3iby h SER 104 Ca 0.62 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.61 3iby h SER 104 Cb 1.23 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3iby h SER 104 CO -0.54 0.66 -0.64 1.56 -0.87 0.00 0.00 176.83 177.00 3iby h GLN 105 N 0.44 0.74 -0.63 4.77 4.20 -0.78 -2.96 115.11 120.90 3iby h GLN 105 Ca 0.08 -0.56 0.09 0.00 0.06 0.00 0.00 58.65 58.32 3iby h GLN 105 Cb 0.54 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3iby h GLN 105 CO 0.03 1.18 0.42 -0.07 -0.67 0.00 0.00 178.83 179.73 3iby h LEU 106 N 0.46 0.43 -2.05 1.46 3.38 -0.58 -1.91 115.31 116.50 3iby h LEU 106 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iby h LEU 106 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3iby h LEU 106 CO 0.13 0.26 0.00 -0.26 0.09 0.00 0.00 178.44 178.66 3iby h PHE 107 N 0.48 0.00 -0.01 1.13 -1.00 -1.17 -2.12 116.94 114.25 3iby h PHE 107 Ca 0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 3iby h PHE 107 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3iby h PHE 107 CO -0.00 0.00 -0.07 0.39 -1.61 0.00 0.00 178.31 177.02 3iby n GLU 108 N -2.79 1.38 -0.01 1.51 1.02 -0.72 -3.93 120.64 117.11 3iby n GLU 108 Ca -0.01 -0.77 0.13 0.00 -0.02 0.00 0.00 57.16 56.49 3iby n GLU 108 Cb 0.13 -1.48 0.69 0.00 -0.02 0.00 0.00 31.44 30.75 3iby n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3iby n LEU 109 N -0.14 0.40 -3.62 -4.62 4.77 -0.80 -3.70 117.00 109.29 3iby n LEU 109 Ca 0.17 -0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 55.73 3iby n LEU 109 Cb 0.34 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3iby n LEU 109 CO 0.19 0.07 0.05 0.61 -1.33 0.00 0.00 177.39 176.99 3iby n GLY 110 N 0.97 -0.50 3.08 -0.72 0.00 -1.25 -4.93 105.19 101.84 3iby n GLY 110 Ca 0.19 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 3iby n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iby s LYS 111 N -6.31 0.77 0.29 1.61 3.01 -1.26 -4.76 119.74 113.09 3iby s LYS 111 Ca 0.54 -0.61 -0.30 0.00 -1.01 0.00 0.00 55.97 54.60 3iby s LYS 111 Cb -0.27 -0.72 -0.11 0.00 -1.01 0.00 0.00 37.83 35.72 3iby s LYS 111 CO 0.66 0.18 1.50 -2.14 0.51 0.00 0.00 175.35 176.06 3iby s PRO 112 N -0.91 4.19 -0.01 -1.68 0.02 -1.26 -4.17 135.00 131.17 3iby s PRO 112 Ca -0.00 2.45 0.05 0.00 0.02 0.00 0.00 61.00 63.52 3iby s PRO 112 Cb -0.07 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 3iby s PRO 112 CO 0.01 -0.51 -0.16 0.08 -0.33 0.00 0.00 177.00 176.09 3iby s VAL 113 N -0.26 1.28 -0.07 3.83 1.01 -1.26 -0.88 120.40 124.06 3iby s VAL 113 Ca 0.59 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3iby s VAL 113 Cb -0.45 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3iby s VAL 113 CO 0.49 0.36 -0.18 0.54 0.00 0.00 0.00 175.10 176.32 3iby s VAL 114 N -0.34 2.72 -0.30 2.92 0.11 -0.25 -4.37 120.40 120.90 3iby s VAL 114 Ca 0.05 -0.82 -0.13 0.00 -2.93 0.00 0.00 61.98 58.15 3iby s VAL 114 Cb -0.07 -2.06 -0.03 0.00 -1.53 0.00 0.00 36.38 32.68 3iby s VAL 114 CO -0.00 0.57 0.29 -0.69 -3.33 0.00 0.00 175.10 171.94 3iby s VAL 115 N -0.27 5.23 -0.37 2.04 1.01 -0.63 -0.96 120.40 126.44 3iby s VAL 115 Ca 0.01 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 3iby s VAL 115 Cb -0.13 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3iby s VAL 115 CO 0.03 0.12 0.46 0.00 0.00 0.00 0.00 175.10 175.71 3iby s ALA 116 N 1.92 3.46 -0.65 5.51 0.00 0.87 -1.36 121.76 131.51 3iby s ALA 116 Ca 0.11 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.71 3iby s ALA 116 Cb -0.16 -2.99 0.14 0.00 0.00 0.00 0.00 23.12 20.11 3iby s ALA 116 CO 0.11 -1.29 0.68 -1.17 0.00 0.00 0.00 175.76 174.09 3iby s LEU 117 N 2.27 5.92 0.49 0.00 2.96 0.36 0.17 118.68 130.85 3iby s LEU 117 Ca 0.16 -1.87 0.03 0.00 -0.22 0.00 0.00 54.13 52.22 3iby s LEU 117 Cb -0.16 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.29 3iby s LEU 117 CO 0.13 -0.91 0.69 0.21 -1.32 0.00 0.00 176.35 175.15 3iby s ASN 118 N 3.31 5.51 -0.43 3.68 2.47 0.20 -0.67 114.94 129.01 3iby s ASN 118 Ca 0.12 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.36 3iby s ASN 118 Cb -0.22 -1.00 0.00 0.00 -1.45 0.00 0.00 41.25 38.59 3iby s ASN 118 CO 0.01 -0.93 0.00 0.23 -3.72 0.00 0.00 177.10 172.69 3iby n MET 119 N -2.14 -0.37 -0.36 0.43 2.81 -0.97 -0.50 117.12 116.03 3iby n MET 119 Ca 0.06 0.57 0.29 0.00 -1.81 0.00 0.00 57.70 56.80 3iby n MET 119 Cb 0.59 -4.21 0.59 0.00 -0.71 0.00 0.00 33.22 29.48 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 0.15 0.24 -0.55 0.03 2.86 -1.77 0.47 114.93 116.36 3iby h MET 120 Ca -0.08 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3iby h MET 120 Cb 0.31 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3iby h MET 120 CO 0.12 0.16 0.05 0.38 1.06 0.00 0.00 176.91 178.68 3iby h ASP 121 N 0.25 0.86 0.62 1.22 2.03 -1.90 -1.88 116.42 117.62 3iby h ASP 121 Ca 0.65 -0.20 -0.28 0.00 -0.73 0.00 0.00 57.03 56.47 3iby h ASP 121 Cb 1.92 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 40.18 3iby h ASP 121 CO -0.27 0.89 -1.34 0.40 -1.03 0.00 0.00 179.24 177.89 3iby h ILE 122 N 0.85 1.36 -0.41 4.15 2.04 -0.53 -2.51 117.51 122.45 3iby h ILE 122 Ca 0.17 -3.00 -0.01 0.00 1.00 0.00 0.00 64.86 63.02 3iby h ILE 122 Cb 0.43 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 3iby h ILE 122 CO 0.01 0.85 0.24 0.00 0.00 0.00 0.00 178.15 179.26 3iby h ALA 123 N 0.64 0.53 -0.76 1.87 0.00 -1.05 -1.33 119.26 119.16 3iby h ALA 123 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3iby h ALA 123 Cb 1.96 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 3iby h ALA 123 CO 0.17 0.04 0.48 1.49 0.00 0.00 0.00 179.25 181.42 3iby h GLU 124 N 0.54 1.01 -0.40 0.00 4.81 -1.32 0.22 114.58 119.44 3iby h GLU 124 Ca 0.15 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3iby h GLU 124 Cb 0.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3iby h GLU 124 CO -0.03 0.70 0.02 1.25 -0.73 0.00 0.00 179.01 180.22 3iby h HIS 125 N 1.03 0.66 -0.12 0.92 2.76 -1.10 -1.83 115.15 117.47 3iby h HIS 125 Ca 0.27 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3iby h HIS 125 Cb -0.07 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.70 3iby h HIS 125 CO -0.01 0.62 0.00 0.54 -1.30 0.00 0.00 177.93 177.78 3iby n ARG 126 N -4.26 1.33 -1.23 5.26 1.74 -0.53 -4.92 116.66 114.04 3iby n ARG 126 Ca 0.02 -0.50 -0.08 0.00 -0.77 0.00 0.00 57.85 56.52 3iby n ARG 126 Cb 0.26 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.79 0.97 3.68 -0.13 0.00 -0.69 -5.00 105.19 104.81 3iby n GLY 127 Ca 0.08 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.20 4.95 -0.11 -0.61 1.01 0.71 -4.42 121.20 120.53 3iby s ILE 128 Ca 0.00 1.49 0.03 0.00 0.00 0.00 0.00 60.65 62.17 3iby s ILE 128 Cb 0.00 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3iby s ILE 128 CO 0.00 0.10 -0.19 -0.44 0.00 0.00 0.00 174.94 174.41 3iby s SER 129 N 1.08 3.48 -0.03 3.58 0.01 -0.47 -3.75 113.70 117.60 3iby s SER 129 Ca 0.36 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 57.23 3iby s SER 129 Cb -0.17 -1.43 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 3iby s SER 129 CO 0.14 0.17 -0.21 -0.63 0.41 0.00 0.00 173.24 173.12 3iby s ILE 130 N 0.27 1.72 -0.86 1.44 1.01 -1.26 -1.75 121.20 121.77 3iby s ILE 130 Ca -0.14 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 3iby s ILE 130 Cb -0.17 -1.44 0.10 0.00 0.01 0.00 0.00 42.46 40.96 3iby s ILE 130 CO 0.07 0.49 1.14 -0.62 0.00 0.00 0.00 174.94 176.01 3iby s ASP 131 N -0.33 6.47 0.10 3.58 3.68 0.28 -4.90 116.67 125.55 3iby s ASP 131 Ca 0.04 -1.62 -0.35 0.00 2.13 0.00 0.00 52.55 52.75 3iby s ASP 131 Cb -0.10 -2.44 -0.15 0.00 -1.45 0.00 0.00 42.92 38.78 3iby s ASP 131 CO 0.01 -1.26 1.56 0.74 0.13 0.00 0.00 175.17 176.35 3iby h THR 132 N 6.03 0.02 -1.03 1.71 2.02 -1.98 0.09 112.91 119.78 3iby h THR 132 Ca 0.03 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.55 3iby h THR 132 Cb 1.04 0.02 -0.15 0.00 -1.74 0.00 0.00 68.15 67.32 3iby h THR 132 CO 1.18 0.00 0.59 -0.33 0.37 0.00 0.00 175.52 177.34 3iby h GLU 133 N -0.86 0.25 0.24 6.66 3.07 -1.93 -0.61 114.58 121.40 3iby h GLU 133 Ca -0.03 -0.02 -0.34 0.00 -0.50 0.00 0.00 59.36 58.47 3iby h GLU 133 Cb 0.81 -0.06 0.03 0.00 -0.84 0.00 0.00 28.75 28.69 3iby h GLU 133 CO -0.18 0.17 -1.55 -0.22 -1.40 0.00 0.00 179.01 175.83 3iby h LYS 134 N 0.26 0.52 -0.90 2.33 1.63 -1.81 -2.84 116.57 115.75 3iby h LYS 134 Ca 0.75 -0.88 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 3iby h LYS 134 Cb 1.83 0.33 -0.04 0.00 -0.60 0.00 0.00 32.23 33.74 3iby h LYS 134 CO -0.60 1.42 0.59 1.25 -3.45 0.00 0.00 179.45 178.66 3iby h LEU 135 N 0.14 1.04 -0.21 5.20 5.85 -0.47 0.11 115.31 126.97 3iby h LEU 135 Ca -0.28 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3iby h LEU 135 Cb 2.16 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.88 3iby h LEU 135 CO 0.26 0.76 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.88 3iby h GLU 136 N 1.22 -0.15 -0.27 1.25 4.81 -1.14 -0.52 114.58 119.79 3iby h GLU 136 Ca 0.33 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 3iby h GLU 136 Cb -0.14 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3iby h GLU 136 CO -0.07 -0.10 -0.16 0.77 -0.73 0.00 0.00 179.01 178.72 3iby h SER 137 N -0.16 0.45 0.40 1.04 0.02 -1.18 -2.26 113.55 111.86 3iby h SER 137 Ca 0.12 -0.12 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 3iby h SER 137 Cb 0.34 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 62.78 3iby h SER 137 CO -0.30 0.64 -1.35 -0.07 -1.14 0.00 0.00 176.83 174.61 3iby h LEU 138 N 0.42 0.67 -0.32 5.07 3.38 -0.10 -3.26 115.31 121.17 3iby h LEU 138 Ca 0.07 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 3iby h LEU 138 Cb 0.53 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3iby h LEU 138 CO 0.03 1.54 -0.06 -0.07 0.09 0.00 0.00 178.44 179.98 3iby h LEU 139 N 0.14 0.00 0.00 1.67 3.38 -1.07 -3.47 115.31 115.95 3iby h LEU 139 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3iby h LEU 139 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 3iby h LEU 139 CO 0.24 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3iby n GLY 140 N 0.87 0.90 3.56 0.83 0.00 -0.86 -4.87 105.19 105.62 3iby n GLY 140 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3iby n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iby s SER 142 N -3.63 6.81 -0.18 0.00 0.15 -1.26 -4.50 113.70 111.09 3iby s SER 142 Ca 0.31 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.94 3iby s SER 142 Cb 0.08 -2.28 0.02 0.00 -1.71 0.00 0.00 66.02 62.12 3iby s SER 142 CO 0.15 0.20 -0.20 -0.69 1.20 0.00 0.00 173.24 173.91 3iby s VAL 143 N -0.48 2.02 -0.29 4.45 1.01 -1.26 -1.61 120.40 124.24 3iby s VAL 143 Ca 0.25 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3iby s VAL 143 Cb -0.17 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.44 3iby s VAL 143 CO 0.13 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 175.10 3iby s ILE 144 N 1.30 2.57 0.23 2.22 -1.09 -0.46 -4.95 121.20 121.02 3iby s ILE 144 Ca 0.05 -1.58 -0.31 0.00 -2.23 0.00 0.00 60.65 56.58 3iby s ILE 144 Cb -0.13 -2.53 -0.10 0.00 -1.58 0.00 0.00 42.46 38.12 3iby s ILE 144 CO -0.13 -0.12 1.50 -2.84 -1.23 0.00 0.00 174.94 172.13 3iby s PRO 145 N 1.16 4.23 0.11 2.79 0.02 -1.26 -0.49 135.00 141.55 3iby s PRO 145 Ca -0.06 2.36 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 3iby s PRO 145 Cb -0.20 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.22 3iby s PRO 145 CO -0.03 -0.51 0.29 0.96 -0.33 0.00 0.00 177.00 177.38 3iby s ILE 146 N 0.38 0.11 -0.57 2.83 -4.36 0.15 -4.60 121.20 115.14 3iby s ILE 146 Ca 0.63 -0.89 0.04 0.00 -0.26 0.00 0.00 60.65 60.18 3iby s ILE 146 Cb -0.43 -1.26 0.16 0.00 1.25 0.00 0.00 42.46 42.18 3iby s ILE 146 CO 0.40 -0.48 0.39 -1.10 0.24 0.00 0.00 174.94 174.39 3iby s GLN 147 N -3.83 1.82 0.22 0.37 -0.21 -0.18 -2.28 119.66 115.57 3iby s GLN 147 Ca 0.04 -2.74 -0.08 0.00 0.02 0.00 0.00 55.36 52.60 3iby s GLN 147 Cb 0.03 -2.71 0.34 0.00 1.00 0.00 0.00 33.01 31.68 3iby s GLN 147 CO -0.11 -1.28 1.74 0.00 -2.12 0.00 0.00 175.29 173.51 3iby h ALA 148 N 5.77 0.88 0.00 6.09 0.00 -1.94 -0.04 119.26 130.02 3iby h ALA 148 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iby h ALA 148 Cb 0.83 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iby h ALA 148 CO 0.59 -0.20 0.00 1.12 0.00 0.00 0.00 179.25 180.75 3iby h HIS 149 N 0.41 0.00 -0.31 0.00 -0.00 -1.92 -1.77 115.15 111.56 3iby h HIS 149 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 3iby h HIS 149 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 3iby h HIS 149 CO -0.18 0.00 0.00 1.63 -0.00 0.00 0.00 177.93 179.38 3iby n LYS 150 N -3.08 2.89 -1.19 5.12 5.02 -0.09 -4.98 118.16 121.86 3iby n LYS 150 Ca -0.03 -2.00 -0.07 0.00 -2.02 0.00 0.00 58.31 54.20 3iby n LYS 150 Cb 0.08 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.38 -5.06 -4.66 4.39 3.02 -0.67 -4.97 115.26 107.69 3iby n ASN 151 Ca 0.10 0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 3iby n ASN 151 Cb 0.41 -3.14 -0.05 0.00 -0.61 0.00 0.00 39.78 36.40 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 -1.82 4.90 0.00 2.41 1.09 -0.92 -3.72 121.20 123.15 3iby s ILE 152 Ca 0.00 1.50 0.00 0.00 -1.10 0.00 0.00 60.65 61.05 3iby s ILE 152 Cb 0.00 -4.08 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 3iby s ILE 152 CO 0.00 0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.47 3iby n GLY 153 N 3.64 0.36 0.28 6.18 0.00 -1.26 -1.01 105.19 113.37 3iby n GLY 153 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.79 -0.56 -0.61 1.08 -1.89 0.35 117.51 116.67 3iby h ILE 154 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3iby h ILE 154 Cb 0.00 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 33.89 3iby h ILE 154 CO 0.00 0.10 0.35 -0.65 -0.69 0.00 0.00 178.15 177.27 3iby h PRO 155 N 0.57 0.74 -0.24 2.37 0.11 -1.92 0.36 132.00 133.99 3iby h PRO 155 Ca 0.38 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.24 3iby h PRO 155 Cb 0.46 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3iby h PRO 155 CO -0.31 0.51 -0.63 0.00 -0.21 0.00 0.00 178.00 177.36 3iby h ALA 156 N 1.63 0.42 -0.19 -0.75 0.00 -1.50 -2.71 119.26 116.15 3iby h ALA 156 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3iby h ALA 156 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3iby h ALA 156 CO -0.04 0.68 0.08 1.25 0.00 0.00 0.00 179.25 181.22 3iby h LEU 157 N 0.62 0.26 -0.67 0.00 5.85 0.32 -1.93 115.31 119.76 3iby h LEU 157 Ca -0.01 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3iby h LEU 157 Cb 1.25 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3iby h LEU 157 CO 0.14 0.34 0.34 1.56 -0.34 0.00 0.00 178.44 180.47 3iby h GLN 158 N 0.16 0.58 -0.67 1.25 4.20 -0.35 -2.17 115.11 118.11 3iby h GLN 158 Ca 0.06 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3iby h GLN 158 Cb 0.16 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3iby h GLN 158 CO -0.01 0.38 0.14 1.96 -0.67 0.00 0.00 178.83 180.63 3iby h GLN 159 N 0.59 1.08 -0.14 1.46 1.08 -1.28 -2.62 115.11 115.29 3iby h GLN 159 Ca 0.32 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3iby h GLN 159 Cb 0.30 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3iby h GLN 159 CO -0.24 0.97 -0.00 1.03 -0.95 0.00 0.00 178.83 179.63 3iby h SER 160 N 1.02 0.17 0.03 1.46 0.87 -0.76 -1.91 113.55 114.43 3iby h SER 160 Ca 0.21 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 3iby h SER 160 Cb 0.39 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3iby h SER 160 CO 0.01 0.21 -0.33 0.25 -0.53 0.00 0.00 176.83 176.44 3iby h LEU 161 N 0.19 0.44 -1.13 2.23 5.85 -1.03 -1.44 115.31 120.42 3iby h LEU 161 Ca 0.05 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3iby h LEU 161 Cb 0.14 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3iby h LEU 161 CO 0.00 0.74 -0.10 0.25 -0.34 0.00 0.00 178.44 179.00 3iby h LEU 162 N 0.37 0.00 -3.05 2.25 6.46 -1.23 -2.64 115.31 117.47 3iby h LEU 162 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3iby h LEU 162 Cb 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 3iby h LEU 162 CO 0.06 0.10 0.00 1.41 -0.62 0.00 0.00 178.44 179.39 3iby n HIS 163 N -3.21 0.57 -2.56 1.25 8.25 -1.02 -4.83 115.22 113.67 3iby n HIS 163 Ca 0.01 -0.68 -0.43 0.00 -0.26 0.00 0.00 57.72 56.36 3iby n HIS 163 Cb 0.39 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 8.17 3.87 -4.38 0.00 3.41 -1.26 -4.86 113.62 118.57 3iby n SER 165 Ca 0.49 -0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.70 3iby n SER 165 Cb 0.46 0.95 -0.14 0.00 -0.26 0.00 0.00 64.21 65.21 3iby n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iby s GLN 166 N -1.73 2.07 0.82 4.33 -2.07 -1.26 -4.85 119.66 116.97 3iby s GLN 166 Ca 0.00 -0.96 -0.13 0.00 -1.82 0.00 0.00 55.36 52.45 3iby s GLN 166 Cb 0.00 -2.10 0.08 0.00 -1.09 0.00 0.00 33.01 29.90 3iby s GLN 166 CO 0.00 0.55 1.13 0.36 -1.32 0.00 0.00 175.29 176.01 3iby n LYS 167 N 2.04 0.11 -3.94 9.60 2.85 -1.26 -4.10 118.16 123.46 3iby n LYS 167 Ca -0.16 0.11 -0.35 0.00 -1.05 0.00 0.00 58.31 56.86 3iby n LYS 167 Cb 0.52 -2.38 -0.13 0.00 -0.65 0.00 0.00 35.03 32.38 3iby n LYS 167 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3iby s ILE 168 N -2.17 3.63 0.31 0.58 -1.09 -1.26 -4.91 121.20 116.30 3iby s ILE 168 Ca 0.72 -0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 58.43 3iby s ILE 168 Cb -0.29 -2.66 -0.12 0.00 -1.58 0.00 0.00 42.46 37.82 3iby s ILE 168 CO 0.52 0.41 1.49 0.29 -1.23 0.00 0.00 174.94 176.42 3iby n LYS 169 N 4.68 2.47 -1.38 2.79 5.02 -1.26 -4.77 118.16 125.71 3iby n LYS 169 Ca -0.18 0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 56.65 3iby n LYS 169 Cb 0.51 -2.59 0.10 0.00 -0.02 0.00 0.00 35.03 33.03 3iby n LYS 169 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3iby s PRO 170 N -1.04 2.09 0.09 1.97 0.02 -1.26 -4.90 135.00 131.96 3iby s PRO 170 Ca 0.61 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.99 3iby s PRO 170 Cb -0.53 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.06 3iby s PRO 170 CO 0.54 -1.85 1.81 -0.51 -0.33 0.00 0.00 177.00 176.66 3iby s LEU 171 N -5.32 4.40 -0.23 -5.54 1.43 -1.26 -4.90 118.68 107.26 3iby s LEU 171 Ca 0.72 2.66 -0.28 0.00 -1.03 0.00 0.00 54.13 56.20 3iby s LEU 171 Cb -0.27 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 3iby s LEU 171 CO 0.47 -0.99 2.11 -0.75 0.23 0.00 0.00 176.35 177.42 3iby s LYS 172 N 3.09 3.23 0.40 1.70 2.20 -1.26 -4.99 119.74 124.12 3iby s LYS 172 Ca 0.80 1.93 -0.00 0.00 -0.36 0.00 0.00 55.97 58.34 3iby s LYS 172 Cb -0.44 -4.32 -0.02 0.00 -1.51 0.00 0.00 37.83 31.54 3iby s LYS 172 CO 0.36 -1.98 0.63 -0.51 -0.36 0.00 0.00 175.35 173.48 3iby s LEU 173 N 7.78 3.83 -0.37 5.43 1.43 -1.26 -4.95 118.68 130.56 3iby s LEU 173 Ca 0.95 0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 54.46 3iby s LEU 173 Cb -0.31 -3.35 0.06 0.00 0.03 0.00 0.00 46.19 42.62 3iby s LEU 173 CO 0.35 -0.48 0.16 -0.44 0.23 0.00 0.00 176.35 176.17 3iby s SER 174 N -4.11 5.36 0.25 2.29 0.01 -1.26 -5.08 113.70 111.17 3iby s SER 174 Ca 0.44 -1.41 0.11 0.00 1.31 0.00 0.00 55.95 56.40 3iby s SER 174 Cb -0.10 -1.88 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 3iby s SER 174 CO 0.38 -0.42 -0.20 -0.76 0.41 0.00 0.00 173.24 172.65 3iby s LEU 175 N 1.35 2.56 0.75 2.44 1.43 -1.26 -4.74 118.68 121.21 3iby s LEU 175 Ca 0.01 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 51.99 3iby s LEU 175 Cb -0.21 -1.04 0.05 0.00 0.03 0.00 0.00 46.19 45.01 3iby s LEU 175 CO 0.01 0.02 1.12 -0.94 0.23 0.00 0.00 176.35 176.79 3iby s SER 176 N -3.34 4.48 0.30 2.29 1.04 -1.26 -4.82 113.70 112.39 3iby s SER 176 Ca 0.27 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.66 3iby s SER 176 Cb -0.05 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 63.97 3iby s SER 176 CO 0.13 -2.05 1.96 0.58 0.98 0.00 0.00 173.24 174.83 3iby h VAL 177 N -0.75 1.20 -0.26 5.02 2.07 -2.00 0.25 116.25 121.77 3iby h VAL 177 Ca -0.45 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 66.74 3iby h VAL 177 Cb 1.25 -0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 3iby h VAL 177 CO 0.51 0.21 -0.41 0.00 0.02 0.00 0.00 177.57 177.89 3iby h ALA 178 N 1.48 -0.48 -0.11 1.67 0.00 -1.99 0.32 119.26 120.16 3iby h ALA 178 Ca 0.32 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 3iby h ALA 178 Cb -0.09 0.81 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3iby h ALA 178 CO -0.08 -0.88 -0.77 0.00 0.00 0.00 0.00 179.25 177.53 3iby h ALA 179 N 0.31 0.45 -0.51 0.00 0.00 -1.84 -2.41 119.26 115.26 3iby h ALA 179 Ca 0.11 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 3iby h ALA 179 Cb 0.60 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3iby h ALA 179 CO -0.48 0.73 -0.03 0.37 0.00 0.00 0.00 179.25 179.84 3iby h GLN 180 N 0.40 0.89 -0.18 0.00 5.75 -0.42 -2.14 115.11 119.40 3iby h GLN 180 Ca -0.04 -0.27 -0.16 0.00 -0.15 0.00 0.00 58.65 58.02 3iby h GLN 180 Cb 1.37 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 3iby h GLN 180 CO 0.14 0.90 -0.56 1.96 -2.65 0.00 0.00 178.83 178.63 3iby h GLN 181 N 0.81 0.56 -0.12 1.69 1.08 -0.23 -1.24 115.11 117.66 3iby h GLN 181 Ca 0.15 -0.36 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 3iby h GLN 181 Cb 0.53 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 3iby h GLN 181 CO 0.03 0.97 0.02 0.82 -0.95 0.00 0.00 178.83 179.71 3iby h ILE 182 N 0.43 0.94 -0.77 2.54 2.04 -1.36 -0.75 117.51 120.57 3iby h ILE 182 Ca 0.01 -0.02 0.12 0.00 1.00 0.00 0.00 64.86 65.96 3iby h ILE 182 Cb 1.11 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3iby h ILE 182 CO 0.11 0.01 0.51 -0.07 0.00 0.00 0.00 178.15 178.70 3iby h LEU 183 N 0.07 0.53 -0.13 1.44 3.38 -0.99 -1.34 115.31 118.26 3iby h LEU 183 Ca 0.05 0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 3iby h LEU 183 Cb 0.05 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3iby h LEU 183 CO -0.08 0.29 -0.94 0.78 0.09 0.00 0.00 178.44 178.58 3iby h ASN 184 N 0.57 0.72 1.02 -0.43 2.35 -0.82 -2.85 115.58 116.14 3iby h ASN 184 Ca 0.37 -0.56 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 3iby h ASN 184 Cb 0.64 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3iby h ASN 184 CO -0.14 1.35 -0.30 0.44 -1.65 0.00 0.00 177.43 177.14 3iby h ASP 185 N 0.34 0.00 0.41 5.81 5.19 -0.48 -0.01 116.42 127.68 3iby h ASP 185 Ca -0.09 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.01 3iby h ASP 185 Cb 1.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.09 3iby h ASP 185 CO 0.18 0.30 -1.51 0.25 -3.12 0.00 0.00 179.24 175.33 3iby h LEU 186 N 0.00 0.50 0.24 1.55 6.46 -1.33 -2.14 115.31 120.58 3iby h LEU 186 Ca -0.00 -0.64 -0.01 0.00 -0.12 0.00 0.00 57.88 57.10 3iby h LEU 186 Cb 0.89 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 3iby h LEU 186 CO 0.04 1.53 -0.11 -0.08 -0.62 0.00 0.00 178.44 179.19 3iby h GLU 187 N 0.09 -0.30 -0.82 1.25 4.81 -1.42 -1.63 114.58 116.55 3iby h GLU 187 Ca -0.24 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3iby h GLU 187 Cb 2.05 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.45 3iby h GLU 187 CO 0.19 -0.03 0.54 -0.91 -0.73 0.00 0.00 179.01 178.07 3iby h ASN 188 N -0.56 0.89 -0.40 1.04 2.35 -1.07 0.99 115.58 118.81 3iby h ASN 188 Ca -0.03 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 3iby h ASN 188 Cb 0.41 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3iby h ASN 188 CO 0.05 0.62 -0.25 -0.61 -1.65 0.00 0.00 177.43 175.60 3iby h GLN 189 N 1.03 0.87 -0.08 0.81 4.15 -1.36 0.16 115.11 120.69 3iby h GLN 189 Ca 0.32 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3iby h GLN 189 Cb -0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3iby h GLN 189 CO -0.09 1.05 0.01 -0.07 -1.93 0.00 0.00 178.83 177.80 3iby h LEU 190 N 0.68 0.13 -0.59 -2.39 3.38 -0.87 -0.57 115.31 115.07 3iby h LEU 190 Ca 0.08 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.91 3iby h LEU 190 Cb 0.82 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 3iby h LEU 190 CO 0.07 0.35 0.15 0.40 0.09 0.00 0.00 178.44 179.49 3iby h ILE 191 N -0.10 0.67 0.00 1.22 2.04 -0.79 -0.76 117.51 119.78 3iby h ILE 191 Ca 0.02 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3iby h ILE 191 Cb 0.27 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3iby h ILE 191 CO 0.00 0.05 -0.16 -1.28 0.00 0.00 0.00 178.15 176.76 3iby h SER 192 N 0.28 0.00 1.37 1.72 0.87 -0.36 -2.25 113.55 115.18 3iby h SER 192 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3iby h SER 192 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3iby h SER 192 CO -0.38 0.16 0.00 0.29 -0.53 0.00 0.00 176.83 176.37 3iby n LYS 193 N -3.86 0.24 0.00 2.24 5.02 -0.25 -4.86 118.16 116.69 3iby n LYS 193 Ca -0.02 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3iby n LYS 193 Cb 0.26 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3iby n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iby n GLY 194 N 1.16 1.56 3.79 0.72 0.00 -0.85 -5.10 105.19 106.48 3iby n GLY 194 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.88 3.45 0.46 1.61 1.51 -0.69 -4.99 117.35 116.82 3iby s TYR 195 Ca 0.00 1.69 -0.23 0.00 -1.01 0.00 0.00 57.07 57.52 3iby s TYR 195 Cb 0.00 -2.95 -0.09 0.00 -0.11 0.00 0.00 41.96 38.81 3iby s TYR 195 CO 0.00 -0.12 1.10 0.36 -1.11 0.00 0.00 175.55 175.79 3iby n LYS 196 N -0.02 1.47 0.03 -0.62 2.85 -1.26 -4.57 118.16 116.05 3iby n LYS 196 Ca 0.04 0.53 -0.11 0.00 -1.05 0.00 0.00 58.31 57.73 3iby n LYS 196 Cb 0.51 -2.20 -0.04 0.00 -0.65 0.00 0.00 35.03 32.65 3iby n LYS 196 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 3iby h ASN 197 N 1.52 -0.82 -0.38 -5.58 -0.26 -1.95 -0.24 115.58 107.86 3iby h ASN 197 Ca -0.47 0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.35 3iby h ASN 197 Cb 1.33 0.35 -0.02 0.00 -1.06 0.00 0.00 38.32 38.91 3iby h ASN 197 CO 0.57 -0.33 0.12 0.77 -1.06 0.00 0.00 177.43 177.49 3iby h SER 198 N -0.38 0.61 0.89 5.81 4.64 -1.95 -2.47 113.55 120.70 3iby h SER 198 Ca 0.08 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 3iby h SER 198 Cb 0.50 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3iby h SER 198 CO -0.28 0.61 -0.68 0.15 -0.87 0.00 0.00 176.83 175.76 3iby h PHE 199 N 0.65 0.00 -0.73 4.77 3.57 -1.84 -1.47 116.94 121.89 3iby h PHE 199 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3iby h PHE 199 Cb 0.23 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3iby h PHE 199 CO 0.01 0.68 0.38 0.00 -2.23 0.00 0.00 178.31 177.15 3iby h ALA 200 N 1.32 0.93 0.39 2.41 0.00 -0.60 0.36 119.26 124.07 3iby h ALA 200 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3iby h ALA 200 Cb 1.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iby h ALA 200 CO 0.09 0.46 -0.19 -0.92 0.00 0.00 0.00 179.25 178.69 3iby h TYR 201 N 1.01 -0.49 -0.03 0.00 3.20 -1.22 -1.73 116.97 117.71 3iby h TYR 201 Ca 0.25 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3iby h TYR 201 Cb 0.07 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 3iby h TYR 201 CO 0.00 -0.16 -0.24 -0.92 -1.64 0.00 0.00 178.16 175.20 3iby h TYR 202 N -0.91 -0.65 0.00 -3.82 3.20 -1.26 -2.79 116.97 110.74 3iby h TYR 202 Ca -0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 3iby h TYR 202 Cb 0.55 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 3iby h TYR 202 CO 0.02 -0.33 -0.27 0.35 -1.64 0.00 0.00 178.16 176.30 3iby h PHE 203 N -0.36 0.00 -0.34 -3.82 3.57 -0.31 -2.65 116.94 113.02 3iby h PHE 203 Ca 0.07 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 3iby h PHE 203 Cb 0.46 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3iby h PHE 203 CO -0.29 0.27 -0.17 0.66 -2.23 0.00 0.00 178.31 176.54 3iby h SER 204 N 0.00 0.75 -0.25 0.41 4.64 -1.05 0.19 113.55 118.25 3iby h SER 204 Ca -0.00 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3iby h SER 204 Cb 0.55 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3iby h SER 204 CO 0.03 0.99 0.14 0.03 -0.87 0.00 0.00 176.83 177.16 3iby h ARG 205 N 0.51 0.35 -0.54 4.77 -0.00 -1.32 -1.56 114.38 116.59 3iby h ARG 205 Ca 0.08 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 3iby h ARG 205 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.59 3iby h ARG 205 CO 0.05 0.31 0.26 0.00 0.00 0.00 0.00 179.97 180.59 3iby h ARG 206 N 0.29 0.78 0.16 0.04 2.47 -1.26 0.11 114.38 116.97 3iby h ARG 206 Ca 0.09 -0.11 0.02 0.00 -1.26 0.00 0.00 59.98 58.71 3iby h ARG 206 Cb 0.06 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 3iby h ARG 206 CO -0.01 0.64 -0.32 1.25 0.56 0.00 0.00 179.97 182.09 3iby h LEU 207 N 0.73 -0.91 -1.58 3.04 5.85 -0.57 -0.76 115.31 121.11 3iby h LEU 207 Ca 0.19 0.10 0.22 0.00 0.84 0.00 0.00 57.88 59.22 3iby h LEU 207 Cb 0.12 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3iby h LEU 207 CO -0.02 -0.42 0.61 0.00 -0.34 0.00 0.00 178.44 178.27 3iby h ALA 208 N 0.05 2.32 0.00 1.25 0.00 -0.75 1.25 119.26 123.38 3iby h ALA 208 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iby h ALA 208 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3iby h ALA 208 CO -0.16 -0.61 0.00 0.39 0.00 0.00 0.00 179.25 178.87 3iby n GLU 209 N -4.48 0.75 -2.44 0.00 1.02 0.32 -2.99 120.64 112.83 3iby n GLU 209 Ca 0.20 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.30 3iby n GLU 209 Cb 0.76 -1.03 0.01 0.00 -0.02 0.00 0.00 31.44 31.16 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 0.27 0.52 3.76 0.62 0.00 0.43 -4.91 105.19 105.89 3iby n GLY 210 Ca 0.01 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.97 6.99 -1.39 1.61 2.15 -0.82 -5.02 116.67 117.23 3iby s ASP 211 Ca 0.06 1.18 -0.15 0.00 0.43 0.00 0.00 52.55 54.07 3iby s ASP 211 Cb -0.03 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.24 3iby s ASP 211 CO 0.07 0.11 2.21 0.35 -0.17 0.00 0.00 175.17 177.74 3iby n THR 212 N 2.68 3.29 -0.17 1.71 -2.24 -1.26 -4.61 114.28 113.68 3iby n THR 212 Ca -0.07 -2.85 -0.06 0.00 -2.27 0.00 0.00 64.05 58.80 3iby n THR 212 Cb 0.51 -2.58 -0.01 0.00 -2.10 0.00 0.00 70.33 66.15 3iby n THR 212 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iby n GLN 232 N 6.16 0.00 -2.34 -0.78 0.00 -1.26 -5.15 117.38 114.01 3iby n GLN 232 Ca 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 57.00 57.13 3iby n GLN 232 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 30.24 30.45 3iby n GLN 232 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 3iby s ASN 233 N 0.26 6.84 0.15 2.61 0.01 -1.26 -4.90 114.94 118.65 3iby s ASN 233 Ca 0.10 2.37 -0.14 0.00 -0.71 0.00 0.00 52.86 54.48 3iby s ASN 233 Cb -0.14 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 38.92 3iby s ASN 233 CO 0.08 -0.45 1.68 0.25 -1.51 0.00 0.00 177.10 177.15 3iby h LEU 234 N 3.17 0.69 -1.49 0.60 5.85 -2.00 -1.96 115.31 120.18 3iby h LEU 234 Ca -0.48 -0.19 0.18 0.00 0.84 0.00 0.00 57.88 58.22 3iby h LEU 234 Cb 1.22 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3iby h LEU 234 CO 0.65 0.70 0.56 -2.24 -0.34 0.00 0.00 178.44 177.77 3iby h ASP 235 N 0.64 0.45 0.06 1.25 2.03 -1.89 -0.13 116.42 118.84 3iby h ASP 235 Ca 0.16 0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.36 3iby h ASP 235 Cb 0.25 -0.05 0.01 0.00 -0.83 0.00 0.00 39.33 38.71 3iby h ASP 235 CO -0.01 0.20 -0.55 0.58 -1.03 0.00 0.00 179.24 178.44 3iby h VAL 236 N 0.46 1.54 -0.70 4.15 2.07 -1.71 -2.44 116.25 119.62 3iby h VAL 236 Ca 0.44 -2.30 0.03 0.00 0.82 0.00 0.00 66.70 65.68 3iby h VAL 236 Cb 0.99 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 33.74 3iby h VAL 236 CO -0.17 0.64 0.45 -0.07 0.02 0.00 0.00 177.57 178.45 3iby h LEU 237 N -0.43 0.74 0.05 2.57 3.38 -0.80 -1.19 115.31 119.63 3iby h LEU 237 Ca -0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3iby h LEU 237 Cb 1.36 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3iby h LEU 237 CO 0.10 0.52 -0.03 -0.07 0.09 0.00 0.00 178.44 179.06 3iby h LEU 238 N 0.88 -0.06 0.02 1.67 3.38 -1.10 -2.24 115.31 117.86 3iby h LEU 238 Ca 0.28 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3iby h LEU 238 Cb -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3iby h LEU 238 CO -0.10 -0.02 -0.24 0.00 0.09 0.00 0.00 178.44 178.17 3iby h ALA 239 N 0.85 -0.72 -0.91 1.53 0.00 -1.13 -1.96 119.26 116.91 3iby h ALA 239 Ca -0.01 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.00 3iby h ALA 239 Cb 0.08 0.69 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 3iby h ALA 239 CO 0.01 -0.79 -0.40 -0.44 0.00 0.00 0.00 179.25 177.63 3iby h ASP 240 N -0.32 -1.44 -0.87 0.00 3.32 -1.17 0.23 116.42 116.17 3iby h ASP 240 Ca 0.00 0.30 0.06 0.00 0.02 0.00 0.00 57.03 57.41 3iby h ASP 240 Cb 0.33 0.74 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 3iby h ASP 240 CO -0.15 -0.29 0.57 0.00 -1.72 0.00 0.00 179.24 177.65 3iby h ALA 241 N 1.23 1.55 -0.29 3.45 0.00 -1.22 0.25 119.26 124.22 3iby h ALA 241 Ca 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3iby h ALA 241 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iby h ALA 241 CO -0.92 0.32 -0.19 -0.09 0.00 0.00 0.00 179.25 178.37 3iby h ARG 242 N 0.98 0.64 -0.60 0.00 2.43 0.17 -2.38 114.38 115.62 3iby h ARG 242 Ca 0.37 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3iby h ARG 242 Cb 0.20 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3iby h ARG 242 CO -0.14 0.89 0.18 1.88 -1.51 0.00 0.00 179.97 181.28 3iby h TYR 243 N 0.39 0.97 -0.51 2.20 -1.99 -0.36 -1.19 116.97 116.49 3iby h TYR 243 Ca 0.06 -0.10 0.09 0.00 2.00 0.00 0.00 58.73 60.78 3iby h TYR 243 Cb 0.73 -0.28 -0.07 0.00 2.00 0.00 0.00 36.73 39.10 3iby h TYR 243 CO 0.07 0.81 0.08 1.96 -0.00 0.00 0.00 178.16 181.07 3iby h GLN 244 N 0.85 0.20 -0.12 4.88 4.20 -0.46 0.14 115.11 124.80 3iby h GLN 244 Ca 0.19 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.69 3iby h GLN 244 Cb 0.30 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.04 3iby h GLN 244 CO -0.00 0.13 -0.71 -0.22 -0.67 0.00 0.00 178.83 177.36 3iby h LYS 245 N 0.21 0.69 -0.40 1.46 3.11 -1.20 0.47 116.57 120.91 3iby h LYS 245 Ca 0.26 -0.59 -0.00 0.00 -2.81 0.00 0.00 60.65 57.51 3iby h LYS 245 Cb 0.36 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 3iby h LYS 245 CO -0.36 1.20 0.24 0.82 -2.81 0.00 0.00 179.45 178.54 3iby h ILE 246 N 0.38 1.13 -0.27 2.00 2.04 -1.10 -1.06 117.51 120.63 3iby h ILE 246 Ca -0.05 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 3iby h ILE 246 Cb 1.35 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3iby h ILE 246 CO 0.15 0.13 -0.30 -0.74 0.00 0.00 0.00 178.15 177.39 3iby h HIS 247 N 0.53 0.65 -0.32 1.37 2.76 -0.53 0.47 115.15 120.08 3iby h HIS 247 Ca 0.14 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 3iby h HIS 247 Cb 0.00 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3iby h HIS 247 CO -0.03 0.80 -0.13 0.93 -1.30 0.00 0.00 177.93 178.20 3iby h GLU 248 N 0.49 0.55 -0.27 5.26 5.08 -0.82 0.54 114.58 125.40 3iby h GLU 248 Ca 0.06 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 3iby h GLU 248 Cb 0.77 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3iby h GLU 248 CO 0.06 0.67 -0.09 0.82 -1.00 0.00 0.00 179.01 179.47 3iby h ILE 249 N 0.50 1.29 -0.44 3.13 2.04 0.39 -2.65 117.51 121.76 3iby h ILE 249 Ca 0.09 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 3iby h ILE 249 Cb 0.53 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3iby h ILE 249 CO 0.03 0.36 -0.11 0.58 0.00 0.00 0.00 178.15 179.01 3iby h VAL 250 N 0.29 1.27 -0.06 1.67 2.07 0.08 -2.23 116.25 119.35 3iby h VAL 250 Ca 0.07 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.37 3iby h VAL 250 Cb 0.58 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3iby h VAL 250 CO 0.03 0.42 0.04 0.74 0.02 0.00 0.00 177.57 178.82 3iby h THR 251 N 0.69 0.99 -0.00 2.57 2.02 -0.91 -1.80 112.91 116.47 3iby h THR 251 Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3iby h THR 251 Cb 0.65 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3iby h THR 251 CO 0.04 0.01 -0.03 0.18 0.37 0.00 0.00 175.52 176.09 3iby n LEU 252 N -4.53 0.04 0.00 2.58 4.32 -0.85 -4.32 117.00 114.24 3iby n LEU 252 Ca -0.02 0.42 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 3iby n LEU 252 Cb 0.11 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 3iby n LEU 252 CO 0.34 0.01 -0.23 0.52 -1.22 0.00 0.00 177.39 176.81 3iby n VAL 253 N -1.44 0.00 -4.08 4.08 0.31 -0.81 -4.93 118.33 111.46 3iby n VAL 253 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.12 3iby n VAL 253 Cb 0.32 -0.01 -0.17 0.00 -0.91 0.00 0.00 33.84 33.07 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 -1.11 2.19 0.00 5.55 0.74 -0.75 0.98 119.66 127.26 3iby s GLN 254 Ca 0.00 -0.52 -0.08 0.00 0.05 0.00 0.00 55.36 54.81 3iby s GLN 254 Cb 0.00 -2.00 -0.05 0.00 1.10 0.00 0.00 33.01 32.06 3iby s GLN 254 CO 0.00 -0.21 0.29 0.15 -0.55 0.00 0.00 175.29 174.97 3iby s LYS 255 N 1.43 3.64 0.00 1.67 1.02 -0.72 -4.79 119.74 121.99 3iby s LYS 255 Ca 0.03 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3iby s LYS 255 Cb -0.13 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3iby s LYS 255 CO -0.09 0.66 0.28 1.17 -0.92 0.00 0.00 175.35 176.45