#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbr s GLN 26 N 0.00 2.86 -0.18 -0.99 0.74 -0.72 -5.01 119.66 116.37 3hbr s GLN 26 Ca 0.00 -0.53 -0.15 0.00 0.05 0.00 0.00 55.36 54.73 3hbr s GLN 26 Cb 0.00 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 3hbr s GLN 26 CO 0.00 0.66 0.36 -2.00 -0.55 0.00 0.00 175.29 173.76 3hbr s GLU 27 N -1.27 4.21 -0.79 1.67 2.12 -1.26 -2.74 118.70 120.64 3hbr s GLU 27 Ca 0.17 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.69 3hbr s GLU 27 Cb -0.11 -3.49 0.28 0.00 0.26 0.00 0.00 34.13 31.07 3hbr s GLU 27 CO 0.07 0.07 1.08 -1.71 -0.54 0.00 0.00 175.26 174.22 3hbr n ASN 28 N 4.12 4.93 0.19 -1.70 4.05 0.56 -4.90 115.26 122.51 3hbr n ASN 28 Ca -0.10 -3.49 0.04 0.00 0.45 0.00 0.00 54.58 51.48 3hbr n ASN 28 Cb 0.51 -0.87 0.21 0.00 1.23 0.00 0.00 39.78 40.86 3hbr n ASN 28 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3hbr h LYS 29 N 4.37 0.00 -0.99 1.20 1.57 -1.78 -0.46 116.57 120.48 3hbr h LYS 29 Ca 0.22 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 3hbr h LYS 29 Cb 0.60 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 3hbr h LYS 29 CO 1.01 0.00 0.64 0.66 -0.57 0.00 0.00 179.45 181.19 3hbr h SER 30 N 0.00 1.03 -0.61 0.86 4.64 -1.92 -2.84 113.55 114.72 3hbr h SER 30 Ca 0.00 0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.48 3hbr h SER 30 Cb 1.13 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3hbr h SER 30 CO 0.00 0.66 0.42 -0.50 -0.87 0.00 0.00 176.83 176.54 3hbr h TRP 31 N 1.17 0.19 0.00 4.77 6.55 -1.45 -2.02 115.95 125.15 3hbr h TRP 31 Ca 0.43 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.27 3hbr h TRP 31 Cb 0.16 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 3hbr h TRP 31 CO -0.00 0.08 0.43 -0.91 -1.05 0.00 0.00 178.44 176.98 3hbr h ASN 32 N 0.17 0.00 -0.14 -3.49 2.35 -1.72 -2.54 115.58 110.21 3hbr h ASN 32 Ca 0.29 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 3hbr h ASN 32 Cb 0.92 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.25 3hbr h ASN 32 CO -0.05 0.00 0.11 0.00 -1.65 0.00 0.00 177.43 175.84 3hbr n ALA 33 N -1.82 3.73 0.00 -0.83 0.00 -0.76 -3.01 120.51 117.82 3hbr n ALA 33 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3hbr n ALA 33 Cb 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3hbr n ALA 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hbr n HIS 34 N 0.78 0.00 0.12 0.00 8.25 -0.96 -4.73 115.22 118.68 3hbr n HIS 34 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 3hbr n HIS 34 Cb 0.58 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.54 3hbr n HIS 34 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3hbr h PHE 35 N 0.00 0.73 -0.25 4.41 -1.00 -1.74 -3.34 116.94 115.75 3hbr h PHE 35 Ca 0.00 -0.53 0.06 0.00 2.81 0.00 0.00 57.97 60.31 3hbr h PHE 35 Cb 0.37 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 39.84 3hbr h PHE 35 CO 0.00 1.42 -0.18 1.15 -1.61 0.00 0.00 178.31 179.09 3hbr h THR 36 N 0.11 0.50 0.00 -1.55 2.02 -1.69 0.23 112.91 112.53 3hbr h THR 36 Ca -0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3hbr h THR 36 Cb 2.07 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3hbr h THR 36 CO 0.24 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.79 3hbr h GLU 37 N -0.17 0.00 -0.02 6.66 4.39 -1.85 0.13 114.58 123.71 3hbr h GLU 37 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3hbr h GLU 37 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3hbr h GLU 37 CO -0.36 0.01 -0.08 0.72 -1.16 0.00 0.00 179.01 178.15 3hbr n HIS 38 N -3.53 0.00 -2.94 4.33 8.25 -0.71 -4.95 115.22 115.68 3hbr n HIS 38 Ca -0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.23 3hbr n HIS 38 Cb 0.10 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.23 3hbr n HIS 38 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hbr n LYS 39 N 0.79 -4.41 -4.36 -0.41 3.00 0.44 -5.01 118.16 108.21 3hbr n LYS 39 Ca 0.14 0.81 -0.30 0.00 -0.00 0.00 0.00 58.31 58.97 3hbr n LYS 39 Cb 0.51 -5.47 -0.05 0.00 0.00 0.00 0.00 35.03 30.03 3hbr n LYS 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3hbr s SER 40 N -2.75 4.36 0.12 3.14 0.01 0.66 -5.00 113.70 114.24 3hbr s SER 40 Ca 0.27 -1.45 -0.10 0.00 1.31 0.00 0.00 55.95 55.98 3hbr s SER 40 Cb -0.12 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.54 3hbr s SER 40 CO 0.34 -0.95 0.25 0.00 0.41 0.00 0.00 173.24 173.29 3hbr s GLN 41 N -4.05 0.97 0.00 12.44 -2.07 -1.26 -4.11 119.66 121.58 3hbr s GLN 41 Ca 0.20 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.74 3hbr s GLN 41 Cb 0.00 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 3hbr s GLN 41 CO 0.12 -0.34 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 3hbr n GLY 42 N -0.13 -1.04 3.01 2.60 0.00 -1.26 -1.10 105.19 107.27 3hbr n GLY 42 Ca -0.13 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 3hbr n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbr s VAL 43 N -3.00 0.75 -0.02 1.61 0.11 0.13 -4.88 120.40 115.09 3hbr s VAL 43 Ca 0.00 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 3hbr s VAL 43 Cb 0.00 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3hbr s VAL 43 CO 0.00 0.23 -0.21 0.54 -3.33 0.00 0.00 175.10 172.33 3hbr s VAL 44 N 0.02 2.49 -0.07 2.04 0.11 -1.26 -1.71 120.40 122.01 3hbr s VAL 44 Ca -0.00 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 3hbr s VAL 44 Cb -0.06 -1.93 0.01 0.00 -1.53 0.00 0.00 36.38 32.87 3hbr s VAL 44 CO 0.00 0.55 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.48 3hbr s VAL 45 N -0.69 1.34 0.03 2.04 1.01 -0.13 -3.26 120.40 120.74 3hbr s VAL 45 Ca 0.11 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3hbr s VAL 45 Cb -0.10 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3hbr s VAL 45 CO 0.00 0.40 -0.20 -0.76 0.00 0.00 0.00 175.10 174.54 3hbr s LEU 46 N 0.58 2.47 -0.02 3.92 1.02 0.86 -1.46 118.68 126.06 3hbr s LEU 46 Ca -0.15 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.57 3hbr s LEU 46 Cb -0.16 -1.45 -0.00 0.00 0.02 0.00 0.00 46.19 44.60 3hbr s LEU 46 CO 0.05 0.27 -0.11 0.86 0.02 0.00 0.00 176.35 177.43 3hbr s TRP 47 N -0.86 1.10 -0.35 0.29 -0.11 -0.02 -1.49 118.94 117.50 3hbr s TRP 47 Ca 0.13 -0.25 -0.10 0.00 1.22 0.00 0.00 56.10 57.10 3hbr s TRP 47 Cb -0.10 -0.75 0.02 0.00 -1.50 0.00 0.00 33.47 31.14 3hbr s TRP 47 CO 0.04 -0.07 0.17 1.21 -4.62 0.00 0.00 176.95 173.68 3hbr s ASN 48 N -0.04 5.59 -0.94 5.86 3.84 0.11 -1.66 114.94 127.71 3hbr s ASN 48 Ca 0.00 -0.86 -0.17 0.00 0.21 0.00 0.00 52.86 52.05 3hbr s ASN 48 Cb -0.07 -1.99 -0.10 0.00 -0.55 0.00 0.00 41.25 38.54 3hbr s ASN 48 CO 0.00 -0.31 2.05 1.21 -2.79 0.00 0.00 177.10 177.26 3hbr n GLU 49 N 4.96 1.92 -3.00 0.43 4.07 -1.12 -2.51 120.64 125.40 3hbr n GLU 49 Ca -0.13 -1.89 -0.21 0.00 -0.06 0.00 0.00 57.16 54.88 3hbr n GLU 49 Cb 0.47 -2.86 -0.03 0.00 -0.06 0.00 0.00 31.44 28.96 3hbr n GLU 49 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3hbr n GLN 52 N 6.10 2.00 -4.27 5.31 1.13 -1.26 -5.04 117.38 121.35 3hbr n GLN 52 Ca 0.50 -3.99 -0.26 0.00 -1.94 0.00 0.00 57.00 51.30 3hbr n GLN 52 Cb 0.33 -1.90 -0.17 0.00 0.11 0.00 0.00 30.24 28.62 3hbr n GLN 52 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3hbr s GLN 53 N -2.96 1.77 0.11 -1.09 -0.21 -1.05 -4.95 119.66 111.29 3hbr s GLN 53 Ca 0.43 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.46 3hbr s GLN 53 Cb 0.34 -1.61 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 3hbr s GLN 53 CO -0.10 -0.12 0.09 0.20 -2.12 0.00 0.00 175.29 173.24 3hbr s GLY 54 N 1.17 1.89 -0.11 3.09 0.00 -1.26 -0.71 107.32 111.39 3hbr s GLY 54 Ca -0.04 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.48 3hbr s GLY 54 CO -0.03 -1.10 0.28 -1.36 0.00 0.00 0.00 173.10 170.89 3hbr s PHE 55 N -1.52 -0.32 0.04 1.90 0.40 -0.56 -1.75 117.98 116.17 3hbr s PHE 55 Ca 0.29 0.78 -0.24 0.00 -0.60 0.00 0.00 56.93 57.16 3hbr s PHE 55 Cb -0.11 0.10 0.06 0.00 0.51 0.00 0.00 43.02 43.58 3hbr s PHE 55 CO 0.22 -0.17 0.56 -0.08 0.70 0.00 0.00 175.22 176.45 3hbr s THR 56 N 0.36 0.02 -0.78 0.64 -1.32 -1.11 -0.10 115.64 113.36 3hbr s THR 56 Ca -0.02 -0.16 0.26 0.00 -1.21 0.00 0.00 61.69 60.56 3hbr s THR 56 Cb -0.03 -0.97 0.17 0.00 -1.51 0.00 0.00 72.50 70.16 3hbr s THR 56 CO -0.01 -0.09 1.62 -0.46 -2.21 0.00 0.00 174.62 173.46 3hbr n ASN 57 N 0.44 0.61 -3.25 8.08 6.94 -1.20 -0.32 115.26 126.56 3hbr n ASN 57 Ca -0.18 0.33 -0.08 0.00 -0.02 0.00 0.00 54.58 54.63 3hbr n ASN 57 Cb 0.60 -0.33 -0.04 0.00 -2.36 0.00 0.00 39.78 37.65 3hbr n ASN 57 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3hbr s ASN 58 N -4.02 -0.26 0.37 0.53 3.04 -1.26 -4.44 114.94 108.90 3hbr s ASN 58 Ca 0.10 -1.27 0.15 0.00 0.04 0.00 0.00 52.86 51.88 3hbr s ASN 58 Cb 0.14 1.27 1.02 0.00 -1.54 0.00 0.00 41.25 42.15 3hbr s ASN 58 CO 0.64 -0.20 1.77 -0.07 -3.04 0.00 0.00 177.10 176.19 3hbr h LEU 59 N 6.84 0.52 0.64 3.21 3.38 -1.95 0.01 115.31 127.96 3hbr h LEU 59 Ca 0.06 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3hbr h LEU 59 Cb 1.11 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.88 3hbr h LEU 59 CO 0.14 0.11 -0.31 0.50 0.09 0.00 0.00 178.44 178.98 3hbr h LYS 60 N 0.47 -0.82 0.00 1.13 3.64 -1.99 -3.25 116.57 115.74 3hbr h LYS 60 Ca 0.60 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 60.02 3hbr h LYS 60 Cb 1.37 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 3hbr h LYS 60 CO -0.33 -0.51 -0.07 -0.09 -2.27 0.00 0.00 179.45 176.18 3hbr h ARG 61 N -1.13 0.00 -0.97 1.90 2.43 -1.90 -0.80 114.38 113.91 3hbr h ARG 61 Ca -0.09 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.31 3hbr h ARG 61 Cb 0.69 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 3hbr h ARG 61 CO 0.14 0.07 0.64 0.00 -1.51 0.00 0.00 179.97 179.31 3hbr h ALA 62 N 1.93 2.24 -0.31 2.80 0.00 -1.03 -2.70 119.26 122.19 3hbr h ALA 62 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hbr h ALA 62 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hbr h ALA 62 CO 0.01 -0.57 0.00 0.09 0.00 0.00 0.00 179.25 178.77 3hbr n ASN 63 N -4.54 2.86 -4.78 0.00 4.13 -0.33 -1.85 115.26 110.75 3hbr n ASN 63 Ca 0.22 -1.88 -0.39 0.00 1.68 0.00 0.00 54.58 54.20 3hbr n ASN 63 Cb 0.78 -0.21 -0.06 0.00 -1.54 0.00 0.00 39.78 38.76 3hbr n ASN 63 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3hbr s GLN 64 N -1.03 4.49 -0.18 3.52 -0.21 -1.02 -4.84 119.66 120.39 3hbr s GLN 64 Ca 0.25 1.07 -0.11 0.00 0.02 0.00 0.00 55.36 56.59 3hbr s GLN 64 Cb 0.14 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.82 3hbr s GLN 64 CO 0.19 0.53 0.17 0.00 -2.12 0.00 0.00 175.29 174.06 3hbr s ALA 65 N -0.95 3.68 0.23 6.09 0.00 -1.26 -4.01 121.76 125.54 3hbr s ALA 65 Ca 0.35 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.74 3hbr s ALA 65 Cb -0.22 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 3hbr s ALA 65 CO 0.24 0.18 -0.08 -0.06 0.00 0.00 0.00 175.76 176.05 3hbr s PHE 66 N 0.27 1.70 0.21 0.00 0.40 -0.08 -4.72 117.98 115.77 3hbr s PHE 66 Ca 0.10 -0.72 -0.32 0.00 -0.60 0.00 0.00 56.93 55.39 3hbr s PHE 66 Cb -0.12 -0.91 -0.12 0.00 0.51 0.00 0.00 43.02 42.38 3hbr s PHE 66 CO -0.00 0.20 1.67 1.28 0.70 0.00 0.00 175.22 179.08 3hbr n LEU 67 N -0.44 3.85 0.24 -0.37 4.77 -1.26 -0.29 117.00 123.50 3hbr n LEU 67 Ca -0.07 1.08 0.11 0.00 -0.03 0.00 0.00 56.01 57.10 3hbr n LEU 67 Cb 0.62 -1.55 0.60 0.00 -2.33 0.00 0.00 43.42 40.76 3hbr n LEU 67 CO 0.37 0.07 0.89 1.55 -1.33 0.00 0.00 177.39 178.94 3hbr h PRO 68 N 6.32 0.00 0.00 3.23 0.13 -1.81 -3.47 132.00 136.41 3hbr h PRO 68 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3hbr h PRO 68 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hbr h PRO 68 CO 0.92 0.18 0.00 0.00 -0.23 0.00 0.00 178.00 178.87 3hbr n ALA 69 N -2.26 0.00 0.39 -0.56 0.00 -0.45 -1.78 120.51 115.86 3hbr n ALA 69 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 3hbr n ALA 69 Cb 0.33 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.07 3hbr n ALA 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hbr n SER 70 N 2.15 0.11 0.32 0.00 7.64 -1.26 -1.48 113.62 121.10 3hbr n SER 70 Ca 0.00 0.53 0.21 0.00 1.01 0.00 0.00 58.87 60.62 3hbr n SER 70 Cb 0.00 -0.55 1.05 0.00 -1.01 0.00 0.00 64.21 63.70 3hbr n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3hbr h THR 71 N 0.00 0.06 0.00 0.44 1.35 -1.27 -3.41 112.91 110.09 3hbr h THR 71 Ca 0.00 -0.16 -0.48 0.00 -0.55 0.00 0.00 66.41 65.22 3hbr h THR 71 Cb 0.22 1.14 0.03 0.00 -1.73 0.00 0.00 68.15 67.81 3hbr h THR 71 CO 0.00 0.01 2.49 0.33 -0.25 0.00 0.00 175.52 178.10 3hbr n PHE 72 N -3.16 1.57 0.00 4.73 7.35 -0.55 -4.42 117.46 122.99 3hbr n PHE 72 Ca -0.02 -1.90 0.00 0.00 -0.76 0.00 0.00 57.45 54.76 3hbr n PHE 72 Cb 0.14 -1.68 0.00 0.00 0.35 0.00 0.00 39.48 38.28 3hbr n PHE 72 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3hbr n ILE 74 N 4.90 0.00 -0.03 -2.13 5.41 -1.26 -1.37 119.36 124.87 3hbr n ILE 74 Ca 0.46 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 64.19 3hbr n ILE 74 Cb 0.23 0.00 0.23 0.00 -0.71 0.00 0.00 39.64 39.39 3hbr n ILE 74 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hbr h PRO 75 N 0.00 0.60 -0.51 0.38 0.13 -1.98 -2.75 132.00 127.87 3hbr h PRO 75 Ca 0.00 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3hbr h PRO 75 Cb 0.00 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.03 3hbr h PRO 75 CO 0.00 0.67 0.31 -0.97 -0.23 0.00 0.00 178.00 177.78 3hbr h ASN 76 N 0.56 0.51 -0.23 1.44 -0.00 -1.58 -2.00 115.58 114.28 3hbr h ASN 76 Ca 0.11 -0.00 0.02 0.00 -0.00 0.00 0.00 56.30 56.43 3hbr h ASN 76 Cb 0.44 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.63 3hbr h ASN 76 CO 0.02 0.37 0.09 0.28 -0.00 0.00 0.00 177.43 178.19 3hbr h SER 77 N 0.63 0.11 -0.66 1.15 0.02 -1.76 -1.18 113.55 111.85 3hbr h SER 77 Ca 0.20 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3hbr h SER 77 Cb -0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3hbr h SER 77 CO -0.08 0.10 0.31 -0.07 -1.14 0.00 0.00 176.83 175.95 3hbr h LEU 78 N 0.20 0.89 0.02 5.07 3.38 -1.33 -0.72 115.31 122.83 3hbr h LEU 78 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hbr h LEU 78 Cb 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hbr h LEU 78 CO -0.09 0.77 -0.01 0.40 0.09 0.00 0.00 178.44 179.60 3hbr h ILE 79 N 0.98 1.26 -0.76 1.22 2.04 -1.23 -1.28 117.51 119.73 3hbr h ILE 79 Ca 0.24 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.31 3hbr h ILE 79 Cb 0.13 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 3hbr h ILE 79 CO -0.03 0.22 0.43 0.00 0.00 0.00 0.00 178.15 178.78 3hbr h ALA 80 N 0.58 1.05 -0.23 1.87 0.00 -1.04 0.99 119.26 122.47 3hbr h ALA 80 Ca -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3hbr h ALA 80 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hbr h ALA 80 CO 0.00 0.11 -0.12 -0.07 0.00 0.00 0.00 179.25 179.17 3hbr h LEU 81 N 0.77 0.50 -0.67 0.00 3.38 -1.16 0.33 115.31 118.47 3hbr h LEU 81 Ca 0.35 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3hbr h LEU 81 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hbr h LEU 81 CO -0.21 0.80 -0.57 -0.78 0.09 0.00 0.00 178.44 177.78 3hbr h ASP 82 N 0.20 0.33 0.14 -0.43 1.82 -0.73 -3.11 116.42 114.64 3hbr h ASP 82 Ca 0.05 -0.18 -0.22 0.00 -0.39 0.00 0.00 57.03 56.30 3hbr h ASP 82 Cb 0.62 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.54 3hbr h ASP 82 CO 0.03 0.83 -0.84 -0.07 -1.61 0.00 0.00 179.24 177.58 3hbr h LEU 83 N 0.22 0.68 0.00 2.28 3.38 -0.86 -3.48 115.31 117.53 3hbr h LEU 83 Ca -0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hbr h LEU 83 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3hbr h LEU 83 CO 0.09 1.26 0.00 0.61 0.09 0.00 0.00 178.44 180.49 3hbr n GLY 84 N 0.76 0.94 0.31 0.83 0.00 -0.91 -5.01 105.19 102.11 3hbr n GLY 84 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 3hbr n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hbr h VAL 85 N 0.00 1.25 -3.51 1.61 2.07 -0.72 -3.37 116.25 113.58 3hbr h VAL 85 Ca 0.00 -0.83 -0.64 0.00 0.82 0.00 0.00 66.70 66.05 3hbr h VAL 85 Cb 0.00 0.47 -0.20 0.00 -1.52 0.00 0.00 31.29 30.04 3hbr h VAL 85 CO 0.00 0.33 -0.60 -0.69 0.02 0.00 0.00 177.57 176.63 3hbr s VAL 86 N -5.48 4.54 -0.01 2.57 1.01 0.01 -4.98 120.40 118.07 3hbr s VAL 86 Ca -0.12 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 3hbr s VAL 86 Cb 0.14 -3.09 -0.19 0.00 0.00 0.00 0.00 36.38 33.25 3hbr s VAL 86 CO 0.83 0.39 1.22 0.11 0.00 0.00 0.00 175.10 177.65 3hbr h LYS 87 N 7.57 -0.12 0.00 2.72 1.57 -1.87 -3.38 116.57 123.05 3hbr h LYS 87 Ca -0.37 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3hbr h LYS 87 Cb 1.18 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hbr h LYS 87 CO 0.62 0.29 0.28 -0.40 -0.57 0.00 0.00 179.45 179.67 3hbr n ASP 88 N -4.94 -1.58 -0.30 0.86 5.68 -1.26 -5.05 116.55 109.96 3hbr n ASP 88 Ca -0.09 -2.02 0.06 0.00 -0.50 0.00 0.00 54.79 52.24 3hbr n ASP 88 Cb 0.24 2.61 0.26 0.00 -1.14 0.00 0.00 41.12 43.09 3hbr n ASP 88 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3hbr n GLU 89 N -0.44 1.39 -0.00 0.11 0.00 -1.26 -3.24 120.64 117.19 3hbr n GLU 89 Ca -0.05 -0.59 0.05 0.00 0.00 0.00 0.00 57.16 56.57 3hbr n GLU 89 Cb 0.44 -1.23 -0.08 0.00 0.00 0.00 0.00 31.44 30.56 3hbr n GLU 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hbr n HIS 90 N -0.10 0.00 -1.63 -1.84 8.25 -1.26 -4.03 115.22 114.60 3hbr n HIS 90 Ca 0.10 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.09 3hbr n HIS 90 Cb 0.17 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 3hbr n HIS 90 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3hbr n GLN 91 N -1.81 1.68 -3.44 -0.41 7.27 -1.20 -4.86 117.38 114.61 3hbr n GLN 91 Ca -0.02 0.60 -0.37 0.00 0.07 0.00 0.00 57.00 57.28 3hbr n GLN 91 Cb 0.27 -2.21 -0.07 0.00 2.41 0.00 0.00 30.24 30.64 3hbr n GLN 91 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hbr s VAL 92 N 0.06 5.25 -0.40 1.69 0.11 -1.26 -4.19 120.40 121.66 3hbr s VAL 92 Ca 0.72 0.70 -0.07 0.00 -2.93 0.00 0.00 61.98 60.41 3hbr s VAL 92 Cb -0.75 -3.71 0.08 0.00 -1.53 0.00 0.00 36.38 30.47 3hbr s VAL 92 CO 0.49 0.34 0.21 -0.36 -3.33 0.00 0.00 175.10 172.45 3hbr s PHE 93 N 0.68 3.36 0.41 1.54 0.40 0.17 -4.96 117.98 119.58 3hbr s PHE 93 Ca 0.20 -1.69 -0.25 0.00 -0.60 0.00 0.00 56.93 54.60 3hbr s PHE 93 Cb -0.14 -2.84 -0.08 0.00 0.51 0.00 0.00 43.02 40.47 3hbr s PHE 93 CO 0.07 -0.85 1.17 0.21 0.70 0.00 0.00 175.22 176.52 3hbr s LYS 94 N 1.36 3.98 0.91 0.44 2.36 -1.26 -1.38 119.74 126.15 3hbr s LYS 94 Ca 0.03 1.83 -0.14 0.00 -2.55 0.00 0.00 55.97 55.13 3hbr s LYS 94 Cb -0.22 -2.61 -0.02 0.00 -1.05 0.00 0.00 37.83 33.93 3hbr s LYS 94 CO 0.01 -0.38 0.14 1.87 1.55 0.00 0.00 175.35 178.54 3hbr n TRP 95 N -0.06 -2.24 0.43 4.03 -0.00 -1.26 -4.90 117.44 113.44 3hbr n TRP 95 Ca 0.05 0.20 0.05 0.00 -0.00 0.00 0.00 57.50 57.79 3hbr n TRP 95 Cb 0.47 -1.72 0.02 0.00 -0.00 0.00 0.00 31.31 30.08 3hbr n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3hbr n ASP 96 N 0.01 1.55 0.00 5.87 5.75 -1.26 -5.00 116.55 123.47 3hbr n ASP 96 Ca 0.05 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 3hbr n ASP 96 Cb 0.53 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 3hbr n ASP 96 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hbr n GLY 97 N 0.71 0.78 3.54 6.12 0.00 -1.26 -5.06 105.19 110.01 3hbr n GLY 97 Ca 0.05 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3hbr n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hbr s GLN 98 N -0.59 3.66 0.13 1.61 0.74 -1.26 -5.10 119.66 118.85 3hbr s GLN 98 Ca 0.00 -0.48 -0.14 0.00 0.05 0.00 0.00 55.36 54.79 3hbr s GLN 98 Cb 0.00 -2.95 -0.07 0.00 1.10 0.00 0.00 33.01 31.09 3hbr s GLN 98 CO 0.00 0.29 0.53 -0.08 -0.55 0.00 0.00 175.29 175.48 3hbr s THR 99 N 0.25 4.87 0.34 -0.34 -1.32 -1.26 -4.82 115.64 113.36 3hbr s THR 99 Ca -0.01 0.83 0.05 0.00 -1.21 0.00 0.00 61.69 61.35 3hbr s THR 99 Cb -0.14 -3.74 -0.03 0.00 -1.51 0.00 0.00 72.50 67.08 3hbr s THR 99 CO 0.02 0.29 0.19 -0.13 -2.21 0.00 0.00 174.62 172.78 3hbr s ARG 100 N -1.83 1.74 0.14 7.08 0.52 -1.26 -5.08 118.95 120.24 3hbr s ARG 100 Ca 0.36 -2.02 0.18 0.00 -0.52 0.00 0.00 55.73 53.73 3hbr s ARG 100 Cb -0.15 -0.09 -0.06 0.00 0.52 0.00 0.00 34.95 35.16 3hbr s ARG 100 CO 0.19 -0.53 0.99 -0.44 0.02 0.00 0.00 175.30 175.53 3hbr h ASP 101 N 2.07 0.00 -3.27 0.23 3.32 -2.04 -3.41 116.42 113.32 3hbr h ASP 101 Ca -0.31 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.15 3hbr h ASP 101 Cb 1.25 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 3hbr h ASP 101 CO 0.48 0.43 0.47 -0.63 -1.72 0.00 0.00 179.24 178.26 3hbr s ILE 102 N -3.03 4.84 0.14 0.35 1.01 -1.26 -4.99 121.20 118.26 3hbr s ILE 102 Ca -0.01 1.63 -0.26 0.00 0.00 0.00 0.00 60.65 62.01 3hbr s ILE 102 Cb 0.09 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 3hbr s ILE 102 CO 0.79 -0.04 1.61 0.00 0.00 0.00 0.00 174.94 177.30 3hbr h ALA 103 N 7.53 -0.39 -0.01 9.38 0.00 -2.01 -3.19 119.26 130.57 3hbr h ALA 103 Ca -0.25 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hbr h ALA 103 Cb 1.10 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hbr h ALA 103 CO 0.87 -0.81 0.29 1.79 0.00 0.00 0.00 179.25 181.39 3hbr h THR 104 N -0.40 0.01 -0.02 0.00 1.35 -1.95 -2.33 112.91 109.57 3hbr h THR 104 Ca 0.09 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.81 3hbr h THR 104 Cb 0.55 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 3hbr h THR 104 CO -0.35 0.00 -0.65 -0.50 -0.25 0.00 0.00 175.52 173.77 3hbr h TRP 105 N 0.00 0.09 -2.34 4.73 4.06 -1.92 -3.40 115.95 117.17 3hbr h TRP 105 Ca 0.01 -0.04 -0.76 0.00 2.06 0.00 0.00 58.89 60.16 3hbr h TRP 105 Cb 0.58 -0.01 -0.20 0.00 -1.00 0.00 0.00 29.16 28.53 3hbr h TRP 105 CO 0.00 0.69 1.27 0.09 -3.56 0.00 0.00 178.44 176.93 3hbr n ASN 106 N -3.79 5.32 0.00 -3.49 3.02 -0.88 -4.82 115.26 110.62 3hbr n ASN 106 Ca -0.02 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 3hbr n ASN 106 Cb 0.64 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 3hbr n ASN 106 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hbr n ARG 107 N 4.64 0.00 -1.68 3.52 3.00 -1.26 -5.06 116.66 119.82 3hbr n ARG 107 Ca 0.35 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.84 3hbr n ARG 107 Cb 0.41 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.93 3hbr n ARG 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3hbr s ASP 108 N 0.00 4.68 0.02 0.55 1.01 -1.26 -4.01 116.67 117.66 3hbr s ASP 108 Ca 0.00 2.31 -0.05 0.00 0.71 0.00 0.00 52.55 55.53 3hbr s ASP 108 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3hbr s ASP 108 CO 0.00 -1.93 0.07 -1.00 0.21 0.00 0.00 175.17 172.52 3hbr s HIS 109 N -1.90 0.17 0.42 4.23 3.76 -0.48 -4.93 115.29 116.55 3hbr s HIS 109 Ca 0.74 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 55.33 3hbr s HIS 109 Cb -0.28 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 3hbr s HIS 109 CO 0.40 -0.29 0.25 0.54 -0.85 0.00 0.00 174.74 174.79 3hbr s ASN 110 N -1.71 4.62 0.33 1.40 6.03 -1.26 0.42 114.94 124.77 3hbr s ASN 110 Ca -0.11 -0.98 0.07 0.00 -1.03 0.00 0.00 52.86 50.81 3hbr s ASN 110 Cb -0.06 -0.49 0.92 0.00 -3.03 0.00 0.00 41.25 38.59 3hbr s ASN 110 CO -0.02 -0.59 1.58 0.25 -2.03 0.00 0.00 177.10 176.29 3hbr h LEU 111 N 1.29 -0.23 -0.14 3.54 5.85 -1.75 0.33 115.31 124.19 3hbr h LEU 111 Ca -0.42 0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3hbr h LEU 111 Cb 1.26 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 3hbr h LEU 111 CO 0.66 -0.37 -0.06 0.40 -0.34 0.00 0.00 178.44 178.73 3hbr h ILE 112 N 0.02 1.31 0.02 4.05 1.08 -1.92 -1.91 117.51 120.14 3hbr h ILE 112 Ca 0.67 -1.08 -0.20 0.00 -0.39 0.00 0.00 64.86 63.86 3hbr h ILE 112 Cb 1.52 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 3hbr h ILE 112 CO -0.87 0.32 -0.93 0.71 -0.69 0.00 0.00 178.15 176.69 3hbr h THR 113 N -0.03 1.54 -0.44 -0.27 1.35 -1.78 -1.85 112.91 111.44 3hbr h THR 113 Ca 0.03 -2.82 -0.03 0.00 -0.55 0.00 0.00 66.41 63.05 3hbr h THR 113 Cb 0.52 2.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 3hbr h THR 113 CO 0.02 0.82 0.16 0.00 -0.25 0.00 0.00 175.52 176.26 3hbr h ALA 114 N 0.97 1.46 0.13 6.62 0.00 -0.34 -1.72 119.26 126.38 3hbr h ALA 114 Ca -0.04 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 3hbr h ALA 114 Cb 1.59 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.21 3hbr h ALA 114 CO 0.14 0.41 -1.02 1.98 0.00 0.00 0.00 179.25 180.76 3hbr h MET 115 N 0.62 0.27 -0.75 0.00 -1.53 -1.34 0.11 114.93 112.30 3hbr h MET 115 Ca 0.15 -0.46 0.17 0.00 -3.44 0.00 0.00 59.70 56.12 3hbr h MET 115 Cb 0.15 0.17 -0.12 0.00 -0.55 0.00 0.00 31.60 31.26 3hbr h MET 115 CO -0.01 1.22 0.14 -0.22 0.14 0.00 0.00 176.91 178.18 3hbr h LYS 116 N -0.38 0.22 -0.02 0.39 3.64 -1.32 -2.63 116.57 116.47 3hbr h LYS 116 Ca -0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3hbr h LYS 116 Cb 1.66 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 3hbr h LYS 116 CO 0.11 0.14 -0.06 0.66 -2.27 0.00 0.00 179.45 178.04 3hbr n TYR 117 N -5.20 0.00 -3.50 1.91 4.01 -0.65 -4.99 117.16 108.74 3hbr n TYR 117 Ca 0.14 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.69 3hbr n TYR 117 Cb 0.48 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.56 3hbr n TYR 117 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3hbr n SER 118 N 0.70 -3.44 -4.50 7.72 7.64 -0.80 -4.87 113.62 116.07 3hbr n SER 118 Ca 0.15 -0.76 -0.43 0.00 1.01 0.00 0.00 58.87 58.84 3hbr n SER 118 Cb 0.49 -4.58 -0.03 0.00 -1.01 0.00 0.00 64.21 59.08 3hbr n SER 118 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hbr s VAL 119 N -3.48 4.42 0.21 0.44 1.01 0.30 -4.88 120.40 118.41 3hbr s VAL 119 Ca 0.19 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 3hbr s VAL 119 Cb -0.04 -4.90 0.21 0.00 0.00 0.00 0.00 36.38 31.65 3hbr s VAL 119 CO 0.78 -1.69 1.61 0.58 0.00 0.00 0.00 175.10 176.37 3hbr h VAL 120 N 6.15 0.28 -0.75 2.92 2.07 -1.89 -2.73 116.25 122.30 3hbr h VAL 120 Ca 0.19 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.88 3hbr h VAL 120 Cb 1.01 0.28 -0.13 0.00 -1.52 0.00 0.00 31.29 30.93 3hbr h VAL 120 CO 1.25 0.00 -0.01 -0.65 0.02 0.00 0.00 177.57 178.18 3hbr h PRO 121 N -0.06 0.09 -0.35 1.57 0.11 -1.96 0.11 132.00 131.52 3hbr h PRO 121 Ca 0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3hbr h PRO 121 Cb 0.51 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3hbr h PRO 121 CO -0.68 0.06 0.19 0.28 -0.21 0.00 0.00 178.00 177.65 3hbr h VAL 122 N 0.10 1.14 -0.28 3.15 2.07 -1.89 -2.40 116.25 118.13 3hbr h VAL 122 Ca 0.41 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 3hbr h VAL 122 Cb 0.71 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3hbr h VAL 122 CO -0.67 0.14 -0.24 1.88 0.02 0.00 0.00 177.57 178.70 3hbr h TYR 123 N 0.44 0.61 -1.01 1.57 -1.99 -1.32 -1.83 116.97 113.44 3hbr h TYR 123 Ca 0.12 -0.13 0.08 0.00 2.00 0.00 0.00 58.73 60.80 3hbr h TYR 123 Cb 0.06 -0.15 -0.07 0.00 2.00 0.00 0.00 36.73 38.57 3hbr h TYR 123 CO -0.03 0.74 0.65 1.96 -0.00 0.00 0.00 178.16 181.48 3hbr h GLN 124 N 0.48 1.11 -0.57 4.88 4.20 -0.60 -0.43 115.11 124.18 3hbr h GLN 124 Ca 0.07 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3hbr h GLN 124 Cb 0.68 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3hbr h GLN 124 CO 0.05 0.74 0.15 1.49 -0.67 0.00 0.00 178.83 180.58 3hbr h GLU 125 N 1.15 0.90 -0.30 1.46 4.57 -0.86 -0.69 114.58 120.80 3hbr h GLU 125 Ca 0.45 -0.21 0.05 0.00 -1.18 0.00 0.00 59.36 58.46 3hbr h GLU 125 Cb 0.23 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 3hbr h GLU 125 CO -0.19 0.84 0.04 0.74 -1.18 0.00 0.00 179.01 179.26 3hbr h PHE 126 N 0.81 0.07 -0.79 0.92 0.04 -0.83 -2.25 116.94 114.91 3hbr h PHE 126 Ca 0.18 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 3hbr h PHE 126 Cb 0.33 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3hbr h PHE 126 CO 0.02 0.00 0.35 0.00 -0.60 0.00 0.00 178.31 178.09 3hbr h ALA 127 N 1.24 1.02 -0.46 2.45 0.00 -0.73 0.31 119.26 123.08 3hbr h ALA 127 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hbr h ALA 127 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hbr h ALA 127 CO -0.20 0.61 0.20 0.00 0.00 0.00 0.00 179.25 179.85 3hbr h ARG 128 N 1.12 0.64 0.03 0.00 3.08 -1.12 -0.28 114.38 117.85 3hbr h ARG 128 Ca 0.27 -0.08 -0.23 0.00 0.07 0.00 0.00 59.98 60.01 3hbr h ARG 128 Cb 0.16 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hbr h ARG 128 CO -0.03 0.52 -0.91 1.96 -1.07 0.00 0.00 179.97 180.44 3hbr h GLN 129 N 0.64 0.57 -0.20 0.04 4.20 -0.70 -3.29 115.11 116.37 3hbr h GLN 129 Ca 0.16 -0.65 0.02 0.00 0.06 0.00 0.00 58.65 58.24 3hbr h GLN 129 Cb 0.11 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3hbr h GLN 129 CO -0.02 1.25 0.06 0.82 -0.67 0.00 0.00 178.83 180.28 3hbr h ILE 130 N 0.16 0.95 0.00 2.54 2.04 -0.41 -3.49 117.51 119.29 3hbr h ILE 130 Ca -0.12 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3hbr h ILE 130 Cb 1.59 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3hbr h ILE 130 CO 0.18 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.97 3hbr n GLY 131 N -1.17 -1.99 0.32 5.37 0.00 -0.12 -4.27 105.19 103.33 3hbr n GLY 131 Ca -0.03 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 3hbr n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hbr h GLU 132 N 0.00 1.13 -0.06 1.61 4.81 -1.91 -2.18 114.58 117.98 3hbr h GLU 132 Ca 0.00 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3hbr h GLU 132 Cb 0.00 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3hbr h GLU 132 CO 0.00 0.99 -0.05 0.00 -0.73 0.00 0.00 179.01 179.22 3hbr h ALA 133 N 1.09 0.09 -0.45 2.92 0.00 -1.99 -0.89 119.26 120.03 3hbr h ALA 133 Ca 0.22 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3hbr h ALA 133 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hbr h ALA 133 CO 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 179.25 179.06 3hbr h ARG 134 N -0.26 0.83 -0.00 0.00 3.08 -1.74 -1.83 114.38 114.45 3hbr h ARG 134 Ca 0.01 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.80 3hbr h ARG 134 Cb 0.52 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3hbr h ARG 134 CO 0.01 0.92 -0.28 1.98 -1.07 0.00 0.00 179.97 181.53 3hbr h MET 135 N 0.66 -0.41 -0.79 0.04 4.05 -1.41 -0.03 114.93 117.05 3hbr h MET 135 Ca 0.12 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 3hbr h MET 135 Cb 0.58 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.44 3hbr h MET 135 CO 0.03 -0.27 0.36 1.03 0.23 0.00 0.00 176.91 178.30 3hbr h SER 136 N -0.42 1.03 -0.34 1.39 0.87 -1.07 -1.77 113.55 113.24 3hbr h SER 136 Ca 0.06 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 3hbr h SER 136 Cb 0.51 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3hbr h SER 136 CO -0.24 0.88 -0.01 0.50 -0.53 0.00 0.00 176.83 177.43 3hbr h LYS 137 N 1.12 0.60 -0.53 2.24 1.63 -1.17 -2.07 116.57 118.40 3hbr h LYS 137 Ca 0.27 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 3hbr h LYS 137 Cb 0.13 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3hbr h LYS 137 CO -0.03 0.73 0.12 0.52 -3.45 0.00 0.00 179.45 177.34 3hbr h MET 138 N 0.41 0.86 -0.65 1.90 2.86 -0.76 -0.62 114.93 118.93 3hbr h MET 138 Ca 0.09 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3hbr h MET 138 Cb 0.47 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3hbr h MET 138 CO 0.02 0.82 0.11 -0.07 1.06 0.00 0.00 176.91 178.85 3hbr h LEU 139 N 0.75 1.02 -0.36 1.22 3.38 -1.32 0.97 115.31 120.98 3hbr h LEU 139 Ca 0.17 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3hbr h LEU 139 Cb 0.35 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3hbr h LEU 139 CO 0.00 1.01 -0.02 -0.74 0.09 0.00 0.00 178.44 178.79 3hbr h HIS 140 N 1.00 -0.06 -0.14 1.13 2.76 -1.15 -0.49 115.15 118.21 3hbr h HIS 140 Ca 0.20 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3hbr h HIS 140 Cb 0.42 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 3hbr h HIS 140 CO 0.03 -0.09 -0.04 0.00 -1.30 0.00 0.00 177.93 176.53 3hbr h ALA 141 N 1.32 1.67 -0.00 5.26 0.00 -0.40 -2.35 119.26 124.76 3hbr h ALA 141 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hbr h ALA 141 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hbr h ALA 141 CO -0.31 0.25 -0.16 1.19 0.00 0.00 0.00 179.25 180.22 3hbr n PHE 142 N -4.37 0.00 -3.52 0.00 0.99 0.27 -4.65 117.46 106.19 3hbr n PHE 142 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.22 3hbr n PHE 142 Cb 0.19 -0.29 0.08 0.00 -1.00 0.00 0.00 39.48 38.46 3hbr n PHE 142 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3hbr n ASP 143 N -1.23 -5.57 -4.54 4.37 2.03 -0.72 -4.89 116.55 106.01 3hbr n ASP 143 Ca 0.10 -0.52 -0.43 0.00 0.52 0.00 0.00 54.79 54.46 3hbr n ASP 143 Cb 0.31 -4.81 -0.05 0.00 -0.72 0.00 0.00 41.12 35.84 3hbr n ASP 143 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3hbr s TYR 144 N -3.31 2.92 0.00 -0.67 6.14 -0.27 -4.86 117.35 117.30 3hbr s TYR 144 Ca 0.48 0.14 0.00 0.00 0.64 0.00 0.00 57.07 58.33 3hbr s TYR 144 Cb -0.21 -3.86 0.00 0.00 0.42 0.00 0.00 41.96 38.31 3hbr s TYR 144 CO 0.69 -1.12 0.00 0.41 0.64 0.00 0.00 175.55 176.17 3hbr n GLY 145 N 5.02 2.96 0.65 8.97 0.00 -1.26 -0.73 105.19 120.79 3hbr n GLY 145 Ca 0.03 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3hbr n GLY 145 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hbr n ASN 146 N 2.44 1.93 -1.52 1.61 2.04 -0.75 -4.95 115.26 116.05 3hbr n ASN 146 Ca 0.00 -1.86 -0.13 0.00 -0.44 0.00 0.00 54.58 52.16 3hbr n ASN 146 Cb 0.00 -0.18 -0.05 0.00 -2.53 0.00 0.00 39.78 37.02 3hbr n ASN 146 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3hbr n GLU 147 N 0.52 -1.41 -3.46 -3.83 1.02 0.09 -4.90 120.64 108.67 3hbr n GLU 147 Ca 0.15 0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 57.58 3hbr n GLU 147 Cb 0.34 -5.01 -0.09 0.00 -0.02 0.00 0.00 31.44 26.66 3hbr n GLU 147 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hbr s ASP 148 N -2.06 6.02 0.00 1.62 3.68 -1.26 -4.76 116.67 119.90 3hbr s ASP 148 Ca 0.00 -1.26 0.24 0.00 2.13 0.00 0.00 52.55 53.65 3hbr s ASP 148 Cb 0.00 -2.13 0.38 0.00 -1.45 0.00 0.00 42.92 39.72 3hbr s ASP 148 CO 0.00 -0.57 1.37 2.30 0.13 0.00 0.00 175.17 178.40 3hbr n ILE 149 N 5.13 0.24 -1.41 4.11 -5.35 -1.26 -0.66 119.36 120.16 3hbr n ILE 149 Ca -0.12 -0.59 -0.43 0.00 -0.27 0.00 0.00 62.75 61.34 3hbr n ILE 149 Cb 0.44 1.14 -0.00 0.00 -1.74 0.00 0.00 39.64 39.48 3hbr n ILE 149 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hbr n SER 150 N 1.29 -1.36 0.00 7.28 3.41 -1.26 -4.67 113.62 118.31 3hbr n SER 150 Ca 0.17 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 3hbr n SER 150 Cb 0.57 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 3hbr n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbr n GLY 151 N 1.94 0.05 3.73 5.00 0.00 -1.26 -1.70 105.19 112.95 3hbr n GLY 151 Ca 0.12 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 3hbr n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbr s ASN 152 N -4.00 7.04 0.28 1.61 0.01 -1.26 -4.88 114.94 113.73 3hbr s ASN 152 Ca 0.00 2.23 0.20 0.00 -0.71 0.00 0.00 52.86 54.58 3hbr s ASN 152 Cb 0.00 -2.60 1.03 0.00 0.41 0.00 0.00 41.25 40.09 3hbr s ASN 152 CO 0.00 -0.43 1.61 0.55 -1.51 0.00 0.00 177.10 177.32 3hbr n VAL 153 N 2.82 1.09 -0.14 1.60 3.14 -1.26 -0.71 118.33 124.87 3hbr n VAL 153 Ca 0.06 0.64 0.08 0.00 -2.96 0.00 0.00 64.34 62.15 3hbr n VAL 153 Cb 0.44 -1.62 0.20 0.00 -1.06 0.00 0.00 33.84 31.80 3hbr n VAL 153 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3hbr n ASP 154 N -2.18 3.18 0.00 6.55 5.75 -1.26 -4.41 116.55 124.18 3hbr n ASP 154 Ca -0.01 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 3hbr n ASP 154 Cb 0.06 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 3hbr n ASP 154 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hbr n SER 155 N 0.91 0.00 -0.27 -1.12 3.41 -0.79 -4.69 113.62 111.07 3hbr n SER 155 Ca 0.15 -1.00 0.25 0.00 -0.26 0.00 0.00 58.87 58.01 3hbr n SER 155 Cb 0.48 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.03 3hbr n SER 155 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3hbr h PHE 156 N 0.00 0.37 0.00 7.33 -0.00 -1.18 0.32 116.94 123.79 3hbr h PHE 156 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 3hbr h PHE 156 Cb 0.83 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 36.67 3hbr h PHE 156 CO 0.00 0.06 0.00 -2.67 -0.00 0.00 0.00 178.31 175.70 3hbr n TRP 157 N -4.44 0.00 -0.04 6.09 2.14 -1.26 -1.26 117.44 118.66 3hbr n TRP 157 Ca 0.22 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.73 3hbr n TRP 157 Cb 0.90 -0.32 -0.05 0.00 -0.81 0.00 0.00 31.31 31.04 3hbr n TRP 157 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3hbr n LEU 158 N -1.32 2.38 0.00 5.67 7.99 0.92 -1.34 117.00 131.31 3hbr n LEU 158 Ca 0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 3hbr n LEU 158 Cb 0.21 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 3hbr n LEU 158 CO 0.20 0.56 0.10 -0.90 -1.51 0.00 0.00 177.39 175.84 3hbr n ASP 159 N -2.67 0.02 0.00 -1.43 5.68 0.05 -4.49 116.55 113.70 3hbr n ASP 159 Ca -0.16 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 3hbr n ASP 159 Cb 0.69 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 3hbr n ASP 159 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbr n GLY 160 N -0.00 1.92 0.06 6.12 0.00 -0.39 -4.98 105.19 107.93 3hbr n GLY 160 Ca 0.00 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.26 3hbr n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbr n GLY 161 N 5.00 -1.48 3.77 -0.02 0.00 -0.69 -4.92 105.19 106.85 3hbr n GLY 161 Ca 0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3hbr n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hbr s ILE 162 N -3.12 2.71 -0.11 -0.61 2.07 0.16 -4.75 121.20 117.54 3hbr s ILE 162 Ca 0.08 0.70 -0.11 0.00 -1.41 0.00 0.00 60.65 59.91 3hbr s ILE 162 Cb 0.14 -3.45 0.03 0.00 0.13 0.00 0.00 42.46 39.31 3hbr s ILE 162 CO 0.68 0.16 0.31 -0.13 -1.91 0.00 0.00 174.94 174.05 3hbr s ARG 163 N -1.64 0.38 -0.08 3.50 1.81 -1.26 -4.32 118.95 117.33 3hbr s ARG 163 Ca 0.50 0.39 -0.06 0.00 -1.72 0.00 0.00 55.73 54.84 3hbr s ARG 163 Cb -0.40 0.18 0.03 0.00 -0.45 0.00 0.00 34.95 34.31 3hbr s ARG 163 CO 0.52 -0.05 0.21 -1.50 -0.68 0.00 0.00 175.30 173.80 3hbr s ILE 164 N 0.07 -0.02 0.44 1.52 2.07 0.60 -1.81 121.20 124.07 3hbr s ILE 164 Ca -0.01 0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.28 3hbr s ILE 164 Cb -0.02 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3hbr s ILE 164 CO 0.01 0.02 0.68 -0.94 -1.91 0.00 0.00 174.94 172.80 3hbr s SER 165 N 0.51 6.00 0.21 4.50 1.04 -1.26 -0.90 113.70 123.80 3hbr s SER 165 Ca -0.03 0.46 -0.10 0.00 0.48 0.00 0.00 55.95 56.76 3hbr s SER 165 Cb -0.05 -1.78 0.27 0.00 0.10 0.00 0.00 66.02 64.56 3hbr s SER 165 CO -0.03 -0.61 1.74 0.00 0.98 0.00 0.00 173.24 175.33 3hbr h ALA 166 N 0.41 0.78 -0.17 5.32 0.00 -1.66 0.38 119.26 124.32 3hbr h ALA 166 Ca -0.47 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3hbr h ALA 166 Cb 1.24 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3hbr h ALA 166 CO 0.59 -0.19 -0.30 1.79 0.00 0.00 0.00 179.25 181.14 3hbr h THR 167 N 0.41 1.27 -0.40 0.00 1.35 -1.73 -2.53 112.91 111.28 3hbr h THR 167 Ca 0.30 -1.30 -0.13 0.00 -0.55 0.00 0.00 66.41 64.73 3hbr h THR 167 Cb 0.37 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3hbr h THR 167 CO -0.30 0.40 -0.27 -0.33 -0.25 0.00 0.00 175.52 174.77 3hbr h GLU 168 N 0.29 0.83 -0.22 4.72 5.08 -1.64 -2.31 114.58 121.33 3hbr h GLU 168 Ca 0.04 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 3hbr h GLU 168 Cb 0.69 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3hbr h GLU 168 CO 0.05 1.00 -0.07 1.96 -1.00 0.00 0.00 179.01 180.95 3hbr h GLN 169 N 0.71 -0.02 -0.34 2.33 1.08 -0.69 -1.89 115.11 116.29 3hbr h GLN 169 Ca 0.09 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 3hbr h GLN 169 Cb 0.81 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.19 3hbr h GLN 169 CO 0.07 -0.01 0.04 0.82 -0.95 0.00 0.00 178.83 178.79 3hbr h ILE 170 N -0.02 0.79 -0.54 2.54 2.04 -1.36 -0.78 117.51 120.18 3hbr h ILE 170 Ca 0.11 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 66.00 3hbr h ILE 170 Cb 0.19 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3hbr h ILE 170 CO -0.24 0.03 0.20 0.28 0.00 0.00 0.00 178.15 178.41 3hbr h SER 171 N 0.15 0.20 0.00 1.72 0.02 -1.12 -0.57 113.55 113.96 3hbr h SER 171 Ca 0.16 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3hbr h SER 171 Cb 0.21 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3hbr h SER 171 CO -0.24 0.14 -0.03 0.15 -1.14 0.00 0.00 176.83 175.71 3hbr h PHE 172 N 0.38 -0.06 -0.90 3.45 3.04 -1.04 -2.79 116.94 119.02 3hbr h PHE 172 Ca 0.26 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.21 3hbr h PHE 172 Cb 0.29 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.78 3hbr h PHE 172 CO -0.16 -0.04 0.53 -0.07 -2.02 0.00 0.00 178.31 176.55 3hbr h LEU 173 N -0.05 1.09 -0.70 0.59 3.38 -0.84 -1.35 115.31 117.43 3hbr h LEU 173 Ca 0.01 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hbr h LEU 173 Cb 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hbr h LEU 173 CO -0.02 0.84 0.46 0.03 0.09 0.00 0.00 178.44 179.84 3hbr h ARG 174 N 1.25 0.91 -0.75 1.13 3.08 -1.04 0.22 114.38 119.18 3hbr h ARG 174 Ca 0.32 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 3hbr h ARG 174 Cb -0.04 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3hbr h ARG 174 CO -0.06 0.60 0.27 0.87 -1.07 0.00 0.00 179.97 180.59 3hbr h LYS 175 N 0.94 1.14 -0.37 0.04 1.57 -1.17 -2.75 116.57 115.97 3hbr h LYS 175 Ca 0.26 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3hbr h LYS 175 Cb -0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 3hbr h LYS 175 CO -0.06 0.94 -0.07 1.25 -0.57 0.00 0.00 179.45 180.94 3hbr h LEU 176 N 1.10 0.71 -0.97 2.94 5.85 -0.37 0.61 115.31 125.19 3hbr h LEU 176 Ca 0.25 -0.35 0.11 0.00 0.84 0.00 0.00 57.88 58.73 3hbr h LEU 176 Cb 0.25 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 3hbr h LEU 176 CO -0.01 0.90 0.60 0.22 -0.34 0.00 0.00 178.44 179.80 3hbr h TYR 177 N 0.50 1.09 -0.26 1.25 3.20 -0.52 -2.38 116.97 119.85 3hbr h TYR 177 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3hbr h TYR 177 Cb 0.58 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3hbr h TYR 177 CO 0.05 0.43 0.00 0.72 -1.64 0.00 0.00 178.16 177.72 3hbr n HIS 178 N -4.64 0.33 -2.25 -3.82 8.25 -1.04 -4.92 115.22 107.12 3hbr n HIS 178 Ca 0.18 -0.16 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 3hbr n HIS 178 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3hbr n HIS 178 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hbr n ASN 179 N 0.84 -5.58 0.01 0.41 3.02 -0.88 -4.88 115.26 108.19 3hbr n ASN 179 Ca 0.17 0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.90 3hbr n ASN 179 Cb 0.45 -4.65 0.16 0.00 -0.61 0.00 0.00 39.78 35.14 3hbr n ASN 179 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hbr n LYS 180 N -2.81 0.06 -1.72 3.52 5.02 0.16 -4.89 118.16 117.48 3hbr n LYS 180 Ca -0.23 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.71 3hbr n LYS 180 Cb 0.67 -1.52 0.07 0.00 -0.02 0.00 0.00 35.03 34.22 3hbr n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hbr s LEU 181 N -3.20 3.51 -0.73 -0.35 1.43 -1.21 -4.87 118.68 113.26 3hbr s LEU 181 Ca 0.09 2.45 -0.06 0.00 -1.03 0.00 0.00 54.13 55.58 3hbr s LEU 181 Cb 0.17 -4.60 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 3hbr s LEU 181 CO 0.74 -1.95 3.02 1.41 0.23 0.00 0.00 176.35 179.79 3hbr n HIS 182 N -2.09 1.46 -4.43 0.29 8.25 -1.26 -4.73 115.22 112.69 3hbr n HIS 182 Ca 0.14 -2.22 -0.24 0.00 -0.26 0.00 0.00 57.72 55.14 3hbr n HIS 182 Cb 0.49 -1.78 -0.08 0.00 1.12 0.00 0.00 29.99 29.74 3hbr n HIS 182 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hbr s VAL 183 N -0.03 0.36 0.78 1.59 -7.23 -1.26 -5.05 120.40 109.56 3hbr s VAL 183 Ca 0.63 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 3hbr s VAL 183 Cb 0.28 -2.38 0.06 0.00 0.56 0.00 0.00 36.38 34.90 3hbr s VAL 183 CO -0.09 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 174.87 3hbr s SER 184 N -3.53 4.33 0.24 4.85 1.04 -1.26 -4.92 113.70 114.44 3hbr s SER 184 Ca 0.29 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.59 3hbr s SER 184 Cb 0.02 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.86 3hbr s SER 184 CO 0.19 -2.16 1.90 -0.08 0.98 0.00 0.00 173.24 174.07 3hbr h GLU 185 N -1.04 1.14 -0.62 4.02 4.81 -1.93 -2.77 114.58 118.20 3hbr h GLU 185 Ca -0.44 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3hbr h GLU 185 Cb 1.24 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 3hbr h GLU 185 CO 0.50 0.75 0.33 -0.09 -0.73 0.00 0.00 179.01 179.77 3hbr h ARG 186 N 1.17 0.60 -0.53 1.92 2.43 -1.98 0.33 114.38 118.32 3hbr h ARG 186 Ca 0.35 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3hbr h ARG 186 Cb -0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3hbr h ARG 186 CO -0.10 0.40 0.08 0.77 -1.51 0.00 0.00 179.97 179.61 3hbr h SER 187 N 0.62 0.84 -0.31 -3.80 0.02 -1.90 0.31 113.55 109.33 3hbr h SER 187 Ca 0.28 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3hbr h SER 187 Cb 0.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3hbr h SER 187 CO -0.18 0.89 0.12 1.56 -1.14 0.00 0.00 176.83 178.08 3hbr h GLN 188 N 0.76 0.47 -0.36 3.45 4.20 -1.16 -2.40 115.11 120.06 3hbr h GLN 188 Ca 0.16 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3hbr h GLN 188 Cb 0.41 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3hbr h GLN 188 CO 0.01 0.48 0.23 0.00 -0.67 0.00 0.00 178.83 178.88 3hbr h ARG 189 N 0.35 0.45 -0.33 1.46 3.08 -0.02 -1.41 114.38 117.95 3hbr h ARG 189 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3hbr h ARG 189 Cb 0.19 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3hbr h ARG 189 CO -0.01 0.30 0.18 0.82 -1.07 0.00 0.00 179.97 180.19 3hbr h ILE 190 N 0.46 1.14 -0.75 2.04 2.04 -0.87 -0.31 117.51 121.25 3hbr h ILE 190 Ca 0.14 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3hbr h ILE 190 Cb -0.03 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3hbr h ILE 190 CO -0.04 0.14 0.30 0.58 0.00 0.00 0.00 178.15 179.12 3hbr h VAL 191 N 0.42 1.25 -0.22 1.67 2.07 -1.33 0.13 116.25 120.24 3hbr h VAL 191 Ca 0.12 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 3hbr h VAL 191 Cb 0.06 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3hbr h VAL 191 CO -0.02 0.32 -0.26 0.11 0.02 0.00 0.00 177.57 177.75 3hbr h LYS 192 N 1.09 0.42 0.28 1.57 1.57 -0.90 -0.67 116.57 119.94 3hbr h LYS 192 Ca 0.25 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hbr h LYS 192 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hbr h LYS 192 CO -0.02 0.65 -0.21 0.37 -0.57 0.00 0.00 179.45 179.67 3hbr h GLN 193 N 0.38 -0.48 -0.95 3.15 4.15 -0.56 -2.94 115.11 117.85 3hbr h GLN 193 Ca 0.06 0.03 0.22 0.00 0.77 0.00 0.00 58.65 59.73 3hbr h GLN 193 Cb 0.66 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.38 3hbr h GLN 193 CO 0.05 -0.32 0.62 0.00 -1.93 0.00 0.00 178.83 177.25 3hbr h ALA 194 N 0.18 2.17 0.00 3.38 0.00 -0.23 -1.91 119.26 122.85 3hbr h ALA 194 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hbr h ALA 194 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hbr h ALA 194 CO -0.00 -0.50 0.00 0.52 0.00 0.00 0.00 179.25 179.27 3hbr h MET 195 N 0.44 0.00 -6.30 0.00 2.86 -0.95 -3.44 114.93 107.54 3hbr h MET 195 Ca 0.51 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.51 3hbr h MET 195 Cb 1.24 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.93 3hbr h MET 195 CO -0.22 0.00 0.94 -0.11 1.06 0.00 0.00 176.91 178.57 3hbr n LEU 196 N -2.49 2.99 -0.01 1.22 7.94 -0.72 -1.29 117.00 124.64 3hbr n LEU 196 Ca 0.02 1.03 -0.02 0.00 -1.11 0.00 0.00 56.01 55.93 3hbr n LEU 196 Cb 0.26 -1.32 -0.01 0.00 0.53 0.00 0.00 43.42 42.89 3hbr n LEU 196 CO 0.22 -0.27 -0.55 0.41 -1.11 0.00 0.00 177.39 176.09 3hbr n THR 197 N 4.42 0.09 -3.78 1.96 -1.04 -0.45 -4.90 114.28 110.59 3hbr n THR 197 Ca 0.22 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 62.08 3hbr n THR 197 Cb 0.25 -1.38 -0.11 0.00 -1.82 0.00 0.00 70.33 67.26 3hbr n THR 197 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3hbr s GLU 198 N -2.03 0.32 0.01 -2.82 2.12 -1.05 -5.02 118.70 110.23 3hbr s GLU 198 Ca -0.02 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 3hbr s GLU 198 Cb 0.01 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 3hbr s GLU 198 CO 0.03 -0.04 0.07 0.00 -0.54 0.00 0.00 175.26 174.78 3hbr s ALA 199 N 0.17 -0.15 0.18 6.30 0.00 -1.26 0.24 121.76 127.23 3hbr s ALA 199 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 3hbr s ALA 199 Cb -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 3hbr s ALA 199 CO 0.00 -0.18 0.24 -0.80 0.00 0.00 0.00 175.76 175.02 3hbr s ASN 200 N -1.34 0.09 0.00 0.00 0.01 0.36 -4.99 114.94 109.07 3hbr s ASN 200 Ca -0.14 -1.06 0.16 0.00 -0.71 0.00 0.00 52.86 51.11 3hbr s ASN 200 Cb -0.08 0.42 0.83 0.00 0.41 0.00 0.00 41.25 42.83 3hbr s ASN 200 CO 0.01 -0.89 1.47 0.61 -1.51 0.00 0.00 177.10 176.78 3hbr n GLY 201 N -0.23 -0.81 0.20 0.66 0.00 -1.26 -3.62 105.19 100.13 3hbr n GLY 201 Ca -0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3hbr n GLY 201 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbr n ASP 202 N -1.27 1.82 -4.08 1.61 8.00 -1.26 -5.06 116.55 116.31 3hbr n ASP 202 Ca 0.08 0.31 -0.10 0.00 0.71 0.00 0.00 54.79 55.79 3hbr n ASP 202 Cb 0.13 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.38 3hbr n ASP 202 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hbr s TYR 203 N -2.59 0.60 -0.09 1.24 -0.85 -1.24 -4.54 117.35 109.88 3hbr s TYR 203 Ca -0.33 -0.77 0.03 0.00 -0.52 0.00 0.00 57.07 55.48 3hbr s TYR 203 Cb 0.10 -0.39 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 3hbr s TYR 203 CO 0.43 -0.20 -0.18 0.42 -1.52 0.00 0.00 175.55 174.50 3hbr s ILE 204 N -2.69 2.63 -0.19 -3.49 1.01 -0.52 -0.49 121.20 117.46 3hbr s ILE 204 Ca -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 3hbr s ILE 204 Cb -0.01 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3hbr s ILE 204 CO -0.04 0.55 -0.05 -0.63 0.00 0.00 0.00 174.94 174.77 3hbr s ILE 205 N 0.04 3.43 -0.25 2.92 1.01 0.14 0.21 121.20 128.70 3hbr s ILE 205 Ca -0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3hbr s ILE 205 Cb -0.15 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.79 3hbr s ILE 205 CO 0.05 0.45 -0.00 -0.13 0.00 0.00 0.00 174.94 175.31 3hbr s ARG 206 N 1.10 3.23 0.26 2.79 0.52 -0.90 -1.34 118.95 124.61 3hbr s ARG 206 Ca 0.01 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.31 3hbr s ARG 206 Cb -0.15 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.20 3hbr s ARG 206 CO -0.01 -0.30 0.60 0.00 0.02 0.00 0.00 175.30 175.61 3hbr s ALA 207 N 1.47 -0.80 -0.02 2.13 0.00 -0.41 -1.01 121.76 123.11 3hbr s ALA 207 Ca 0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3hbr s ALA 207 Cb -0.16 0.94 0.02 0.00 0.00 0.00 0.00 23.12 23.93 3hbr s ALA 207 CO -0.01 -0.94 0.04 0.21 0.00 0.00 0.00 175.76 175.06 3hbr s LYS 208 N -3.95 -0.01 0.65 0.00 2.47 0.14 -4.69 119.74 114.36 3hbr s LYS 208 Ca 0.15 0.18 -0.07 0.00 -1.56 0.00 0.00 55.97 54.67 3hbr s LYS 208 Cb -0.03 -0.18 0.03 0.00 -1.46 0.00 0.00 37.83 36.19 3hbr s LYS 208 CO 0.06 -0.13 0.97 0.95 0.16 0.00 0.00 175.35 177.37 3hbr s THR 209 N 0.84 3.05 -0.01 3.43 -4.23 -1.26 -1.86 115.64 115.59 3hbr s THR 209 Ca -0.07 -0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.10 3hbr s THR 209 Cb -0.10 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.54 3hbr s THR 209 CO -0.03 -0.29 0.63 -0.83 -0.54 0.00 0.00 174.62 173.57 3hbr s GLY 210 N -4.40 -0.54 -0.19 3.99 0.00 -0.79 -3.05 107.32 102.34 3hbr s GLY 210 Ca 0.57 1.07 -0.05 0.00 0.00 0.00 0.00 44.72 46.32 3hbr s GLY 210 CO 0.46 0.73 0.11 -0.47 0.00 0.00 0.00 173.10 173.93 3hbr s TYR 211 N -1.66 0.14 -0.31 1.90 6.04 -1.26 0.65 117.35 122.85 3hbr s TYR 211 Ca -0.09 -0.30 -0.15 0.00 0.04 0.00 0.00 57.07 56.57 3hbr s TYR 211 Cb -0.01 -0.67 -0.02 0.00 -1.04 0.00 0.00 41.96 40.22 3hbr s TYR 211 CO 0.05 -0.55 0.38 0.45 -1.54 0.00 0.00 175.55 174.34 3hbr s SER 212 N 2.16 6.22 0.00 4.32 0.15 0.19 -4.70 113.70 122.05 3hbr s SER 212 Ca 0.03 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.71 3hbr s SER 212 Cb -0.16 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 3hbr s SER 212 CO -0.12 -0.28 0.00 0.35 1.20 0.00 0.00 173.24 174.39 3hbr n THR 213 N 5.20 0.00 0.07 6.45 -2.24 -1.26 -1.60 114.28 120.91 3hbr n THR 213 Ca -0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 3hbr n THR 213 Cb 0.50 -0.53 0.59 0.00 -2.10 0.00 0.00 70.33 68.78 3hbr n THR 213 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3hbr h ARG 214 N 0.00 0.18 -4.78 -0.78 3.08 -1.90 -3.42 114.38 106.76 3hbr h ARG 214 Ca 0.00 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.68 3hbr h ARG 214 Cb 0.57 -0.04 -0.25 0.00 0.08 0.00 0.00 29.97 30.34 3hbr h ARG 214 CO 0.00 0.12 -0.76 0.42 -1.07 0.00 0.00 179.97 178.67 3hbr s ILE 215 N -5.20 0.72 0.36 2.04 1.01 -1.26 -5.05 121.20 113.82 3hbr s ILE 215 Ca -0.06 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 3hbr s ILE 215 Cb 0.18 -0.69 -0.09 0.00 0.01 0.00 0.00 42.46 41.88 3hbr s ILE 215 CO 0.71 -0.08 1.06 -1.61 0.00 0.00 0.00 174.94 175.03 3hbr s GLU 216 N -0.97 4.34 0.18 2.79 0.41 -1.26 -3.81 118.70 120.38 3hbr s GLU 216 Ca -0.02 1.61 -0.17 0.00 -0.41 0.00 0.00 54.97 55.98 3hbr s GLU 216 Cb -0.07 -2.77 -0.08 0.00 -1.78 0.00 0.00 34.13 29.43 3hbr s GLU 216 CO 0.00 -0.01 0.64 -1.25 -0.49 0.00 0.00 175.26 174.16 3hbr s PRO 217 N -2.11 4.12 0.02 0.39 0.04 -1.26 -5.09 135.00 131.11 3hbr s PRO 217 Ca 0.53 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 3hbr s PRO 217 Cb -0.25 -2.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 3hbr s PRO 217 CO 0.32 0.44 1.55 0.15 0.04 0.00 0.00 177.00 179.50 3hbr s LYS 218 N -1.95 4.23 0.08 4.56 1.02 -1.25 -4.86 119.74 121.57 3hbr s LYS 218 Ca 0.40 2.16 0.01 0.00 0.02 0.00 0.00 55.97 58.57 3hbr s LYS 218 Cb -0.16 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 3hbr s LYS 218 CO 0.20 -0.69 -0.06 0.96 -0.92 0.00 0.00 175.35 174.84 3hbr s ILE 219 N 2.76 0.57 -0.06 2.17 -4.36 -0.62 -1.06 121.20 120.59 3hbr s ILE 219 Ca 0.70 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 59.29 3hbr s ILE 219 Cb -0.35 -1.57 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 3hbr s ILE 219 CO 0.29 -0.87 -0.20 -0.83 0.24 0.00 0.00 174.94 173.57 3hbr s GLY 220 N -2.91 1.39 0.12 6.27 0.00 0.24 -0.64 107.32 111.80 3hbr s GLY 220 Ca 0.09 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.84 3hbr s GLY 220 CO -0.06 -0.62 0.13 -0.98 0.00 0.00 0.00 173.10 171.57 3hbr s TRP 221 N -0.26 3.21 -0.19 1.90 0.52 0.21 -1.96 118.94 122.37 3hbr s TRP 221 Ca 0.00 0.04 -0.05 0.00 0.02 0.00 0.00 56.10 56.12 3hbr s TRP 221 Cb -0.13 -1.58 0.09 0.00 -1.15 0.00 0.00 33.47 30.70 3hbr s TRP 221 CO 0.03 0.52 0.33 -0.46 0.02 0.00 0.00 176.95 177.39 3hbr s TRP 222 N -1.59 -0.60 0.03 -1.98 -0.00 -0.34 -1.89 118.94 112.56 3hbr s TRP 222 Ca 0.31 0.97 0.05 0.00 -0.00 0.00 0.00 56.10 57.43 3hbr s TRP 222 Cb -0.11 0.02 -0.02 0.00 -0.00 0.00 0.00 33.47 33.36 3hbr s TRP 222 CO 0.23 -0.52 -0.16 0.14 -0.00 0.00 0.00 176.95 176.65 3hbr s VAL 223 N 2.49 1.23 0.00 5.86 -7.23 -0.78 -1.10 120.40 120.87 3hbr s VAL 223 Ca 0.04 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3hbr s VAL 223 Cb -0.13 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.71 3hbr s VAL 223 CO -0.12 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 3hbr n GLY 224 N 2.02 -0.61 3.46 2.32 0.00 -0.17 -0.68 105.19 111.51 3hbr n GLY 224 Ca -0.17 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 3hbr n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hbr s TRP 225 N -2.27 -0.51 -0.19 1.61 -2.14 -0.18 -2.03 118.94 113.22 3hbr s TRP 225 Ca 0.00 0.42 -0.02 0.00 2.66 0.00 0.00 56.10 59.16 3hbr s TRP 225 Cb 0.00 0.53 -0.00 0.00 -3.10 0.00 0.00 33.47 30.90 3hbr s TRP 225 CO 0.00 -0.73 -0.10 0.54 -2.66 0.00 0.00 176.95 173.99 3hbr s VAL 226 N -3.19 2.95 -0.19 -0.66 0.11 0.15 -2.12 120.40 117.45 3hbr s VAL 226 Ca 0.00 -0.65 -0.21 0.00 -2.93 0.00 0.00 61.98 58.19 3hbr s VAL 226 Cb -0.01 -2.30 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 3hbr s VAL 226 CO -0.09 0.47 0.65 -1.61 -3.33 0.00 0.00 175.10 171.20 3hbr s GLU 227 N 1.23 4.22 0.52 1.54 2.02 0.13 -0.86 118.70 127.51 3hbr s GLU 227 Ca 0.03 0.67 0.07 0.00 0.02 0.00 0.00 54.97 55.75 3hbr s GLU 227 Cb -0.14 -3.58 0.03 0.00 0.10 0.00 0.00 34.13 30.54 3hbr s GLU 227 CO -0.04 -0.25 0.45 -0.51 0.02 0.00 0.00 175.26 174.93 3hbr s LEU 228 N 1.93 2.92 0.24 1.80 1.43 -0.95 -1.44 118.68 124.60 3hbr s LEU 228 Ca 0.30 -1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 52.27 3hbr s LEU 228 Cb -0.16 -1.45 0.40 0.00 0.03 0.00 0.00 46.19 45.01 3hbr s LEU 228 CO 0.11 -1.02 1.76 0.44 0.23 0.00 0.00 176.35 177.86 3hbr h ASP 229 N 0.75 0.39 0.00 2.29 3.32 -1.98 -3.33 116.42 117.86 3hbr h ASP 229 Ca -0.37 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3hbr h ASP 229 Cb 1.29 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3hbr h ASP 229 CO 0.55 0.19 -1.04 -0.90 -1.72 0.00 0.00 179.24 176.33 3hbr n ASP 230 N -4.92 1.84 -1.67 6.45 5.75 -1.26 -5.06 116.55 117.67 3hbr n ASP 230 Ca 0.13 -0.29 -0.06 0.00 -0.01 0.00 0.00 54.79 54.56 3hbr n ASP 230 Cb 0.34 1.26 -0.02 0.00 -1.03 0.00 0.00 41.12 41.67 3hbr n ASP 230 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3hbr n ASN 231 N -1.59 -0.13 -3.71 -1.12 4.05 -1.25 -5.15 115.26 106.37 3hbr n ASN 231 Ca -0.00 -1.62 -0.14 0.00 0.45 0.00 0.00 54.58 53.26 3hbr n ASN 231 Cb 0.21 0.47 -0.14 0.00 1.23 0.00 0.00 39.78 41.54 3hbr n ASN 231 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hbr s VAL 232 N -2.36 -0.17 -0.36 3.44 0.11 -1.26 -2.24 120.40 117.55 3hbr s VAL 232 Ca 0.11 0.24 -0.13 0.00 -2.93 0.00 0.00 61.98 59.27 3hbr s VAL 232 Cb 0.01 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.53 3hbr s VAL 232 CO 0.08 0.10 0.26 0.26 -3.33 0.00 0.00 175.10 172.46 3hbr s TRP 233 N 1.73 3.23 0.36 1.54 0.52 -0.04 -2.79 118.94 123.49 3hbr s TRP 233 Ca -0.04 -0.37 -0.25 0.00 0.02 0.00 0.00 56.10 55.46 3hbr s TRP 233 Cb -0.11 -2.51 -0.09 0.00 -1.15 0.00 0.00 33.47 29.60 3hbr s TRP 233 CO -0.07 -0.45 1.01 -0.06 0.02 0.00 0.00 176.95 177.40 3hbr s PHE 234 N 1.70 3.45 0.01 -1.98 0.40 -0.66 0.31 117.98 121.21 3hbr s PHE 234 Ca 0.06 1.70 -0.09 0.00 -0.60 0.00 0.00 56.93 57.99 3hbr s PHE 234 Cb -0.18 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.29 3hbr s PHE 234 CO 0.10 -0.31 0.17 -0.59 0.70 0.00 0.00 175.22 175.30 3hbr s PHE 235 N -1.62 0.02 -0.20 0.36 -0.12 -0.86 -0.84 117.98 114.73 3hbr s PHE 235 Ca 0.54 -0.13 -0.09 0.00 -0.05 0.00 0.00 56.93 57.20 3hbr s PHE 235 Cb -0.21 -0.03 0.08 0.00 -0.63 0.00 0.00 43.02 42.22 3hbr s PHE 235 CO 0.27 -0.34 0.45 0.00 -0.05 0.00 0.00 175.22 175.55 3hbr s ALA 236 N -1.72 -1.21 0.05 1.99 0.00 -0.53 -1.00 121.76 119.35 3hbr s ALA 236 Ca -0.12 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.49 3hbr s ALA 236 Cb -0.05 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 3hbr s ALA 236 CO 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 175.76 175.22 3hbr s MET 237 N 1.94 0.58 0.03 0.00 0.23 -0.26 -0.96 119.30 120.86 3hbr s MET 237 Ca -0.07 -0.96 -0.17 0.00 -1.03 0.00 0.00 55.69 53.47 3hbr s MET 237 Cb -0.10 -0.11 0.03 0.00 -1.53 0.00 0.00 34.83 33.13 3hbr s MET 237 CO -0.14 -0.01 0.37 0.54 -2.03 0.00 0.00 175.02 173.75 3hbr s ASN 238 N -2.17 -0.23 -0.07 -1.18 2.20 -0.69 -1.20 114.94 111.59 3hbr s ASN 238 Ca -0.02 -0.03 -0.21 0.00 -0.94 0.00 0.00 52.86 51.66 3hbr s ASN 238 Cb -0.03 0.39 0.04 0.00 -2.00 0.00 0.00 41.25 39.66 3hbr s ASN 238 CO -0.03 -0.62 0.47 0.00 -2.94 0.00 0.00 177.10 173.99 3hbr s MET 239 N -2.32 0.78 0.29 3.55 0.23 -0.83 -0.70 119.30 120.31 3hbr s MET 239 Ca -0.06 0.16 -0.30 0.00 -1.03 0.00 0.00 55.69 54.46 3hbr s MET 239 Cb -0.01 0.36 -0.13 0.00 -1.53 0.00 0.00 34.83 33.52 3hbr s MET 239 CO -0.01 -0.20 1.40 -0.25 -2.03 0.00 0.00 175.02 173.92 3hbr n ASP 240 N 1.51 3.00 -3.15 -1.18 8.00 -0.26 -0.59 116.55 123.88 3hbr n ASP 240 Ca -0.19 1.17 -0.21 0.00 0.71 0.00 0.00 54.79 56.27 3hbr n ASP 240 Cb 0.56 -1.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.12 3hbr n ASP 240 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3hbr n MET 241 N 1.41 0.58 0.25 -1.24 1.56 -0.22 -4.70 117.12 114.76 3hbr n MET 241 Ca 0.08 -2.93 0.12 0.00 -0.27 0.00 0.00 57.70 54.71 3hbr n MET 241 Cb 0.34 -1.37 0.66 0.00 2.15 0.00 0.00 33.22 35.00 3hbr n MET 241 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 3hbr h PRO 242 N 4.45 0.00 -4.52 2.12 0.13 -1.92 -3.39 132.00 128.87 3hbr h PRO 242 Ca 0.09 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.95 3hbr h PRO 242 Cb 0.92 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.84 3hbr h PRO 242 CO 0.39 0.14 -0.73 -0.08 -0.23 0.00 0.00 178.00 177.50 3hbr s THR 243 N -3.98 0.50 -1.66 1.56 -1.32 -1.26 -5.01 115.64 104.47 3hbr s THR 243 Ca -0.02 -1.05 0.02 0.00 -1.21 0.00 0.00 61.69 59.43 3hbr s THR 243 Cb 0.12 -0.58 0.04 0.00 -1.51 0.00 0.00 72.50 70.57 3hbr s THR 243 CO 0.59 -0.38 0.74 -1.54 -2.21 0.00 0.00 174.62 171.82 3hbr n SER 244 N 1.49 0.00 0.08 8.08 3.41 -1.26 -2.36 113.62 123.06 3hbr n SER 244 Ca -0.23 0.14 -0.01 0.00 -0.26 0.00 0.00 58.87 58.51 3hbr n SER 244 Cb 0.55 -0.17 0.26 0.00 -0.26 0.00 0.00 64.21 64.59 3hbr n SER 244 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hbr h ASP 245 N 0.00 0.30 -0.57 4.04 5.19 -1.96 -3.19 116.42 120.23 3hbr h ASP 245 Ca 0.00 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3hbr h ASP 245 Cb 0.01 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3hbr h ASP 245 CO 0.00 0.59 0.00 0.61 -3.12 0.00 0.00 179.24 177.32 3hbr n GLY 246 N -0.43 1.81 0.14 2.75 0.00 -1.00 -4.46 105.19 104.01 3hbr n GLY 246 Ca -0.01 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 3hbr n GLY 246 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hbr h LEU 247 N 3.37 0.28 -1.53 0.99 3.38 -1.76 -0.03 115.31 120.01 3hbr h LEU 247 Ca 0.00 0.00 0.51 0.00 0.09 0.00 0.00 57.88 58.48 3hbr h LEU 247 Cb 0.87 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 3hbr h LEU 247 CO 0.04 0.20 1.02 0.61 0.09 0.00 0.00 178.44 180.40 3hbr n GLY 248 N -1.18 -0.88 0.23 0.83 0.00 -1.26 -1.91 105.19 101.02 3hbr n GLY 248 Ca -0.01 0.75 0.09 0.00 0.00 0.00 0.00 46.02 46.85 3hbr n GLY 248 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hbr h LEU 249 N 0.00 0.00 -0.79 0.99 3.38 -1.32 -2.95 115.31 114.62 3hbr h LEU 249 Ca 0.90 0.00 0.15 0.00 0.09 0.00 0.00 57.88 59.02 3hbr h LEU 249 Cb 3.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 43.69 3hbr h LEU 249 CO -0.36 0.23 -0.26 0.03 0.09 0.00 0.00 178.44 178.16 3hbr h ARG 250 N 0.00 -0.04 0.15 1.13 3.08 -1.51 -0.40 114.38 116.80 3hbr h ARG 250 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 3hbr h ARG 250 Cb 0.57 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hbr h ARG 250 CO 0.03 -0.02 -1.61 1.96 -1.07 0.00 0.00 179.97 179.25 3hbr h GLN 251 N -0.04 0.32 -0.11 0.04 7.50 -1.77 -3.21 115.11 117.84 3hbr h GLN 251 Ca 0.35 -0.55 0.03 0.00 0.50 0.00 0.00 58.65 58.98 3hbr h GLN 251 Cb 0.59 0.20 -0.06 0.00 0.05 0.00 0.00 27.48 28.26 3hbr h GLN 251 CO -0.82 1.21 -0.48 0.00 -1.50 0.00 0.00 178.83 177.23 3hbr h ALA 252 N 0.34 -0.85 -0.64 3.87 0.00 -1.33 -1.23 119.26 119.42 3hbr h ALA 252 Ca -0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3hbr h ALA 252 Cb 2.06 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 20.78 3hbr h ALA 252 CO 0.18 -1.02 0.34 0.82 0.00 0.00 0.00 179.25 179.57 3hbr h ILE 253 N -0.52 1.21 -0.89 0.00 2.04 -1.23 -2.68 117.51 115.44 3hbr h ILE 253 Ca 0.03 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3hbr h ILE 253 Cb 0.60 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3hbr h ILE 253 CO -0.38 0.23 0.53 0.74 0.00 0.00 0.00 178.15 179.26 3hbr h THR 254 N 0.88 1.25 -0.25 -0.27 2.02 -1.52 -2.97 112.91 112.04 3hbr h THR 254 Ca 0.22 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 3hbr h THR 254 Cb 0.06 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 3hbr h THR 254 CO -0.03 0.26 -0.06 0.11 0.37 0.00 0.00 175.52 176.17 3hbr h LYS 255 N 1.23 0.39 -0.30 6.66 1.57 -0.87 -0.60 116.57 124.64 3hbr h LYS 255 Ca 0.32 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 3hbr h LYS 255 Cb -0.04 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3hbr h LYS 255 CO -0.06 0.47 -0.47 0.93 -0.57 0.00 0.00 179.45 179.75 3hbr h GLU 256 N 0.37 0.81 -0.87 3.15 4.39 -1.49 1.62 114.58 122.57 3hbr h GLU 256 Ca 0.08 -0.46 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 3hbr h GLU 256 Cb 0.34 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 3hbr h GLU 256 CO 0.02 1.10 0.43 0.28 -1.16 0.00 0.00 179.01 179.67 3hbr h VAL 257 N 0.64 1.26 -0.47 3.13 2.07 -1.34 1.05 116.25 122.59 3hbr h VAL 257 Ca 0.04 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3hbr h VAL 257 Cb 1.04 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3hbr h VAL 257 CO 0.10 0.31 -0.06 -0.07 0.02 0.00 0.00 177.57 177.87 3hbr h LEU 258 N 1.23 0.80 0.28 2.57 3.38 -0.66 -1.59 115.31 121.31 3hbr h LEU 258 Ca 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hbr h LEU 258 Cb 0.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hbr h LEU 258 CO -0.04 0.90 -0.13 0.11 0.09 0.00 0.00 178.44 179.37 3hbr h LYS 259 N 0.75 -0.36 -1.07 1.13 1.57 0.29 -1.65 116.57 117.22 3hbr h LYS 259 Ca 0.13 0.02 0.43 0.00 -1.87 0.00 0.00 60.65 59.37 3hbr h LYS 259 Cb 0.54 0.08 -0.17 0.00 0.08 0.00 0.00 32.23 32.76 3hbr h LYS 259 CO 0.03 -0.24 0.61 0.37 -0.57 0.00 0.00 179.45 179.65 3hbr h GLN 260 N -0.59 0.01 -0.13 3.15 4.15 0.11 0.60 115.11 122.40 3hbr h GLN 260 Ca -0.04 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3hbr h GLN 260 Cb 0.29 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3hbr h GLN 260 CO 0.06 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.36 3hbr n GLU 261 N -5.16 1.56 -1.31 1.69 -0.58 -0.60 -4.93 120.64 111.31 3hbr n GLU 261 Ca 0.38 -0.84 -0.11 0.00 -0.42 0.00 0.00 57.16 56.18 3hbr n GLU 261 Cb 1.34 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 30.80 3hbr n GLU 261 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hbr n LYS 262 N 0.06 -1.43 0.00 3.49 4.76 0.21 -4.88 118.16 120.37 3hbr n LYS 262 Ca 0.15 0.84 -0.15 0.00 -2.87 0.00 0.00 58.31 56.29 3hbr n LYS 262 Cb 0.26 -5.11 -0.04 0.00 -1.84 0.00 0.00 35.03 28.30 3hbr n LYS 262 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3hbr h ILE 263 N 0.00 1.31 -3.30 -0.18 2.04 -1.51 -3.42 117.51 112.46 3hbr h ILE 263 Ca -0.22 -2.03 -0.63 0.00 1.00 0.00 0.00 64.86 62.98 3hbr h ILE 263 Cb 1.04 2.02 -0.34 0.00 -0.74 0.00 0.00 36.82 38.81 3hbr h ILE 263 CO 0.32 0.63 -0.86 0.27 0.00 0.00 0.00 178.15 178.51 3hbr s ILE 264 N -3.71 1.81 -1.61 -0.67 -4.36 -1.03 -5.01 121.20 106.62 3hbr s ILE 264 Ca -0.09 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 3hbr s ILE 264 Cb 0.09 -1.60 0.00 0.00 1.25 0.00 0.00 42.46 42.20 3hbr s ILE 264 CO 0.88 0.50 0.40 -2.65 0.24 0.00 0.00 174.94 174.32