#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 2.79 -0.15 -0.99 0.74 -0.40 -4.99 119.66 116.67 3hbr s GLN 26 Ca 0.00 -0.70 -0.17 0.00 0.05 0.00 0.00 55.36 54.55 3hbr s GLN 26 Cb 0.00 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.61 3hbr s GLN 26 CO 0.00 0.49 0.42 -2.00 -0.55 0.00 0.00 175.29 173.64 3hbr s GLU 27 N -0.37 4.28 -0.47 1.67 2.12 -1.26 -1.65 118.70 123.03 3hbr s GLU 27 Ca 0.04 0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.71 3hbr s GLU 27 Cb -0.12 -3.46 0.13 0.00 0.26 0.00 0.00 34.13 30.94 3hbr s GLU 27 CO 0.02 0.13 0.24 1.21 -0.54 0.00 0.00 175.26 176.32 3hbr s ASN 28 N 0.68 4.02 0.26 -1.70 3.04 0.24 -4.93 114.94 116.55 3hbr s ASN 28 Ca 0.22 -2.76 0.23 0.00 0.04 0.00 0.00 52.86 50.60 3hbr s ASN 28 Cb -0.14 -1.34 1.00 0.00 -1.54 0.00 0.00 41.25 39.23 3hbr s ASN 28 CO 0.08 -0.26 1.70 0.29 -3.04 0.00 0.00 177.10 175.87 3hbr n LYS 29 N 3.41 0.19 0.30 0.43 5.02 -1.26 -2.27 118.16 123.98 3hbr n LYS 29 Ca 0.06 0.45 0.17 0.00 -2.02 0.00 0.00 58.31 56.97 3hbr n LYS 29 Cb 0.34 -1.88 0.97 0.00 -0.02 0.00 0.00 35.03 34.44 3hbr n LYS 29 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hbr h SER 30 N 0.00 0.00 0.10 4.39 4.64 -1.93 0.77 113.55 121.52 3hbr h SER 30 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbr h SER 30 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hbr h SER 30 CO 0.00 0.01 -0.01 -0.50 -0.87 0.00 0.00 176.83 175.46 3hbr h TRP 31 N 0.00 0.00 -0.09 4.77 6.55 -1.84 -2.77 115.95 122.57 3hbr h TRP 31 Ca -0.00 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.86 3hbr h TRP 31 Cb 0.02 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.32 3hbr h TRP 31 CO 0.00 0.01 0.10 -0.91 -1.05 0.00 0.00 178.44 176.59 3hbr h ASN 32 N 0.00 0.00 -0.70 -3.49 2.35 -1.06 -2.00 115.58 110.68 3hbr h ASN 32 Ca -0.00 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.92 3hbr h ASN 32 Cb 0.06 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 3hbr h ASN 32 CO 0.00 0.00 0.49 0.00 -1.65 0.00 0.00 177.43 176.27 3hbr h ALA 33 N 1.88 2.39 0.00 -0.83 0.00 -1.70 0.58 119.26 121.58 3hbr h ALA 33 Ca 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3hbr h ALA 33 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hbr h ALA 33 CO -0.00 -0.59 -0.79 0.45 0.00 0.00 0.00 179.25 178.32 3hbr h HIS 34 N 0.19 0.00 0.01 0.00 3.86 -1.59 -1.57 115.15 116.04 3hbr h HIS 34 Ca 0.34 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 3hbr h HIS 34 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3hbr h HIS 34 CO -0.00 0.79 -0.00 0.74 0.86 0.00 0.00 177.93 180.32 3hbr h PHE 35 N 0.00 -0.01 -0.93 2.45 -1.00 -1.12 -3.36 116.94 112.98 3hbr h PHE 35 Ca -0.01 -0.00 0.27 0.00 2.81 0.00 0.00 57.97 61.04 3hbr h PHE 35 Cb 1.46 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.87 3hbr h PHE 35 CO 0.00 0.82 0.34 1.15 -1.61 0.00 0.00 178.31 179.01 3hbr h THR 36 N -0.91 0.29 -0.98 -1.55 2.02 0.05 -0.81 112.91 111.03 3hbr h THR 36 Ca -0.00 -0.08 0.29 0.00 0.77 0.00 0.00 66.41 67.39 3hbr h THR 36 Cb 0.84 0.04 -0.18 0.00 -1.74 0.00 0.00 68.15 67.10 3hbr h THR 36 CO 0.00 0.04 0.14 -0.33 0.37 0.00 0.00 175.52 175.75 3hbr h GLU 37 N 0.24 0.03 -0.30 6.66 4.39 -1.43 -1.86 114.58 122.31 3hbr h GLU 37 Ca 0.62 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.29 3hbr h GLU 37 Cb 1.31 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 3hbr h GLU 37 CO -0.65 0.02 0.01 0.72 -1.16 0.00 0.00 179.01 177.94 3hbr n HIS 38 N -5.42 1.07 -4.27 4.33 8.25 -0.37 -4.93 115.22 113.87 3hbr n HIS 38 Ca 0.26 -0.97 -0.36 0.00 -0.26 0.00 0.00 57.72 56.39 3hbr n HIS 38 Cb 0.84 -0.36 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.54 -2.36 -4.05 -0.41 3.00 -0.70 -4.95 118.16 108.15 3hbr n LYS 39 Ca 0.24 0.29 -0.24 0.00 -0.00 0.00 0.00 58.31 58.60 3hbr n LYS 39 Cb 0.94 -4.75 -0.04 0.00 0.00 0.00 0.00 35.03 31.18 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 -3.57 5.80 -0.06 3.14 0.01 -0.86 -5.02 113.70 113.14 3hbr s SER 40 Ca 0.57 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.77 3hbr s SER 40 Cb -0.32 -1.59 0.01 0.00 0.21 0.00 0.00 66.02 64.34 3hbr s SER 40 CO 0.95 0.01 -0.12 -1.58 0.41 0.00 0.00 173.24 172.92 3hbr s GLN 41 N -3.50 1.64 0.00 12.44 0.74 -1.26 -4.05 119.66 125.66 3hbr s GLN 41 Ca 0.33 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.34 3hbr s GLN 41 Cb -0.09 -1.36 0.00 0.00 1.10 0.00 0.00 33.01 32.65 3hbr s GLN 41 CO 0.26 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.43 3hbr n GLY 42 N 3.81 -1.13 3.10 2.59 0.00 -1.26 -1.64 105.19 110.65 3hbr n GLY 42 Ca -0.23 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 1.13 -0.15 1.61 0.11 0.11 -4.87 120.40 115.35 3hbr s VAL 43 Ca 0.00 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 3hbr s VAL 43 Cb 0.00 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3hbr s VAL 43 CO 0.00 0.33 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.29 3hbr s VAL 44 N -0.20 3.06 -0.14 2.04 1.01 -1.26 -1.41 120.40 123.50 3hbr s VAL 44 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3hbr s VAL 44 Cb -0.07 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3hbr s VAL 44 CO 0.00 0.51 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 3hbr s VAL 45 N 0.56 3.12 0.10 2.92 1.01 -0.23 -3.01 120.40 124.86 3hbr s VAL 45 Ca -0.08 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.36 3hbr s VAL 45 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3hbr s VAL 45 CO 0.03 0.51 -0.21 -0.76 0.00 0.00 0.00 175.10 174.68 3hbr s LEU 46 N 0.49 2.55 -0.13 3.92 1.02 0.66 -1.63 118.68 125.57 3hbr s LEU 46 Ca -0.08 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.48 3hbr s LEU 46 Cb -0.16 -1.45 0.04 0.00 0.02 0.00 0.00 46.19 44.64 3hbr s LEU 46 CO 0.04 0.20 -0.02 0.86 0.02 0.00 0.00 176.35 177.45 3hbr s TRP 47 N -1.05 1.21 -0.45 0.29 -0.11 0.17 -0.82 118.94 118.18 3hbr s TRP 47 Ca 0.16 -0.68 -0.26 0.00 1.22 0.00 0.00 56.10 56.53 3hbr s TRP 47 Cb -0.10 -1.09 0.03 0.00 -1.50 0.00 0.00 33.47 30.81 3hbr s TRP 47 CO 0.07 -0.50 0.96 1.21 -4.62 0.00 0.00 176.95 174.08 3hbr s ASN 48 N 1.80 6.54 0.04 5.86 3.84 0.80 -0.81 114.94 133.01 3hbr s ASN 48 Ca 0.03 0.23 -0.22 0.00 0.21 0.00 0.00 52.86 53.10 3hbr s ASN 48 Cb -0.14 -2.47 -0.15 0.00 -0.55 0.00 0.00 41.25 37.94 3hbr s ASN 48 CO -0.07 -1.07 1.40 -0.08 -2.79 0.00 0.00 177.10 174.50 3hbr h GLU 49 N 9.04 0.22 -0.52 0.43 4.57 -1.70 0.40 114.58 127.02 3hbr h GLU 49 Ca -0.24 -0.09 0.09 0.00 -1.18 0.00 0.00 59.36 57.94 3hbr h GLU 49 Cb 1.07 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.58 3hbr h GLU 49 CO 1.04 0.55 0.09 -0.91 -1.18 0.00 0.00 179.01 178.60 3hbr h ASN 50 N -0.11 -0.02 1.15 1.04 2.35 -1.92 -2.84 115.58 115.23 3hbr h ASN 50 Ca 0.03 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3hbr h ASN 50 Cb 0.47 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3hbr h ASN 50 CO 0.01 0.01 -0.30 0.29 -1.65 0.00 0.00 177.43 175.79 3hbr n LYS 51 N -5.13 0.26 -3.79 0.81 4.01 -1.11 -4.95 118.16 108.26 3hbr n LYS 51 Ca 0.06 0.14 -0.27 0.00 -0.51 0.00 0.00 58.31 57.73 3hbr n LYS 51 Cb 0.27 -1.73 0.02 0.00 -0.51 0.00 0.00 35.03 33.07 3hbr n LYS 51 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3hbr n GLN 52 N -2.15 -2.72 -3.78 1.97 -0.06 0.14 -5.00 117.38 105.79 3hbr n GLN 52 Ca 0.05 0.47 -0.14 0.00 -2.00 0.00 0.00 57.00 55.37 3hbr n GLN 52 Cb 0.43 -4.48 -0.15 0.00 -4.06 0.00 0.00 30.24 21.98 3hbr n GLN 52 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3hbr s GLN 53 N -6.20 0.06 0.32 3.69 -0.21 -1.06 -5.00 119.66 111.24 3hbr s GLN 53 Ca 0.20 0.25 0.09 0.00 0.02 0.00 0.00 55.36 55.91 3hbr s GLN 53 Cb -0.07 -0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.76 3hbr s GLN 53 CO 0.86 -0.12 0.08 0.20 -2.12 0.00 0.00 175.29 174.20 3hbr s GLY 54 N 0.82 1.90 -0.03 3.09 0.00 -1.26 -0.14 107.32 111.70 3hbr s GLY 54 Ca -0.06 -1.81 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 3hbr s GLY 54 CO -0.03 -1.77 0.25 -1.36 0.00 0.00 0.00 173.10 170.18 3hbr s PHE 55 N -2.42 -0.14 -0.02 1.90 0.40 -0.00 -1.27 117.98 116.43 3hbr s PHE 55 Ca 0.36 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 3hbr s PHE 55 Cb -0.03 0.05 0.07 0.00 0.51 0.00 0.00 43.02 43.62 3hbr s PHE 55 CO 0.21 -0.29 0.66 -0.08 0.70 0.00 0.00 175.22 176.42 3hbr s THR 56 N -0.95 0.00 -0.87 0.64 -1.32 -0.66 -0.25 115.64 112.24 3hbr s THR 56 Ca -0.10 -0.01 0.27 0.00 -1.21 0.00 0.00 61.69 60.64 3hbr s THR 56 Cb -0.05 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.14 3hbr s THR 56 CO 0.02 -0.00 1.73 -0.46 -2.21 0.00 0.00 174.62 173.70 3hbr n ASN 57 N 0.72 0.42 -3.35 8.08 6.94 -1.16 -0.59 115.26 126.31 3hbr n ASN 57 Ca -0.19 0.36 -0.15 0.00 -0.02 0.00 0.00 54.58 54.59 3hbr n ASN 57 Cb 0.58 -0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 37.54 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 -3.63 0.99 0.26 0.53 3.04 -1.26 -4.33 114.94 110.54 3hbr s ASN 58 Ca 0.11 -1.22 -0.01 0.00 0.04 0.00 0.00 52.86 51.79 3hbr s ASN 58 Cb 0.16 0.71 0.49 0.00 -1.54 0.00 0.00 41.25 41.07 3hbr s ASN 58 CO 0.60 -0.29 1.81 -0.07 -3.04 0.00 0.00 177.10 176.11 3hbr h LEU 59 N 7.43 0.77 0.28 3.21 3.38 -1.95 -1.64 115.31 126.78 3hbr h LEU 59 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hbr h LEU 59 Cb 1.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hbr h LEU 59 CO 0.23 0.41 -0.14 0.50 0.09 0.00 0.00 178.44 179.53 3hbr h LYS 60 N 0.86 -0.36 0.00 1.13 3.64 -1.99 -2.88 116.57 116.97 3hbr h LYS 60 Ca 0.45 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.78 3hbr h LYS 60 Cb 0.47 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3hbr h LYS 60 CO -0.27 -0.24 -0.37 -0.09 -2.27 0.00 0.00 179.45 176.20 3hbr h ARG 61 N -0.38 0.00 -0.56 1.90 2.43 -1.93 -1.76 114.38 114.07 3hbr h ARG 61 Ca -0.04 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.26 3hbr h ARG 61 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3hbr h ARG 61 CO 0.06 0.37 0.39 0.00 -1.51 0.00 0.00 179.97 179.28 3hbr h ALA 62 N 1.63 2.28 -0.51 2.80 0.00 -1.09 -1.81 119.26 122.56 3hbr h ALA 62 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hbr h ALA 62 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hbr h ALA 62 CO 0.05 -0.43 0.00 0.09 0.00 0.00 0.00 179.25 178.96 3hbr n ASN 63 N -4.43 3.56 -4.79 0.00 4.13 -0.68 -2.37 115.26 110.68 3hbr n ASN 63 Ca 0.10 -2.11 -0.39 0.00 1.68 0.00 0.00 54.58 53.86 3hbr n ASN 63 Cb 0.51 -0.38 -0.06 0.00 -1.54 0.00 0.00 39.78 38.31 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 -1.21 4.26 0.06 3.52 -0.21 -0.68 -4.87 119.66 120.53 3hbr s GLN 64 Ca 0.37 0.75 -0.07 0.00 0.02 0.00 0.00 55.36 56.43 3hbr s GLN 64 Cb 0.20 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.88 3hbr s GLN 64 CO 0.22 0.52 0.32 0.00 -2.12 0.00 0.00 175.29 174.24 3hbr s ALA 65 N -0.72 3.81 0.12 6.09 0.00 -1.26 -4.12 121.76 125.68 3hbr s ALA 65 Ca 0.30 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 3hbr s ALA 65 Cb -0.19 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 3hbr s ALA 65 CO 0.18 0.64 0.05 -0.06 0.00 0.00 0.00 175.76 176.58 3hbr s PHE 66 N -1.40 0.83 0.27 0.00 0.40 -0.39 -4.79 117.98 112.90 3hbr s PHE 66 Ca 0.32 -1.22 -0.31 0.00 -0.60 0.00 0.00 56.93 55.12 3hbr s PHE 66 Cb -0.13 -0.47 -0.12 0.00 0.51 0.00 0.00 43.02 42.81 3hbr s PHE 66 CO 0.19 -0.51 1.65 -0.51 0.70 0.00 0.00 175.22 176.73 3hbr s LEU 67 N -3.04 4.35 0.51 -0.37 1.43 -1.26 -0.83 118.68 119.47 3hbr s LEU 67 Ca 0.23 2.94 0.29 0.00 -1.03 0.00 0.00 54.13 56.56 3hbr s LEU 67 Cb 0.07 -3.62 1.28 0.00 0.03 0.00 0.00 46.19 43.95 3hbr s LEU 67 CO 0.01 -0.95 1.97 1.55 0.23 0.00 0.00 176.35 179.16 3hbr h PRO 68 N 5.47 0.00 0.00 1.29 0.13 -1.77 -3.47 132.00 133.65 3hbr h PRO 68 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hbr h PRO 68 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hbr h PRO 68 CO 0.85 0.12 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 3hbr n ALA 69 N -2.19 0.00 0.87 -0.56 0.00 0.22 -1.93 120.51 116.92 3hbr n ALA 69 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3hbr n ALA 69 Cb 0.32 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.27 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 2.68 0.00 0.26 0.00 7.64 -1.26 -1.96 113.62 120.97 3hbr n SER 70 Ca 0.00 0.25 0.11 0.00 1.01 0.00 0.00 58.87 60.24 3hbr n SER 70 Cb 0.00 -0.40 0.70 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.67 0.00 0.44 1.35 -1.34 -3.40 112.91 110.63 3hbr h THR 71 Ca 0.00 -0.51 -0.39 0.00 -0.55 0.00 0.00 66.41 64.96 3hbr h THR 71 Cb 0.29 1.31 0.07 0.00 -1.73 0.00 0.00 68.15 68.09 3hbr h THR 71 CO 0.00 0.12 1.51 0.33 -0.25 0.00 0.00 175.52 177.23 3hbr n PHE 72 N -3.79 0.41 0.00 4.73 7.35 -0.83 -4.42 117.46 120.90 3hbr n PHE 72 Ca -0.02 -0.83 0.00 0.00 -0.76 0.00 0.00 57.45 55.84 3hbr n PHE 72 Cb 0.23 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.12 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 5.94 0.00 0.23 -2.13 5.41 -1.26 -1.08 119.36 126.47 3hbr n ILE 74 Ca 0.32 0.00 0.08 0.00 1.00 0.00 0.00 62.75 64.15 3hbr n ILE 74 Cb 0.25 0.00 0.56 0.00 -0.71 0.00 0.00 39.64 39.75 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 0.00 -0.36 0.38 0.13 -1.98 -1.82 132.00 128.36 3hbr h PRO 75 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3hbr h PRO 75 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3hbr h PRO 75 CO 0.00 0.19 0.11 -0.97 -0.23 0.00 0.00 178.00 177.10 3hbr h ASN 76 N 0.00 0.52 -0.98 1.44 -0.00 -1.47 -1.27 115.58 113.83 3hbr h ASN 76 Ca -0.00 -0.21 0.07 0.00 -0.00 0.00 0.00 56.30 56.16 3hbr h ASN 76 Cb 0.37 -0.14 -0.07 0.00 -0.00 0.00 0.00 38.32 38.49 3hbr h ASN 76 CO 0.02 0.59 0.63 0.28 -0.00 0.00 0.00 177.43 178.95 3hbr h SER 77 N 0.42 1.00 -0.40 1.15 0.02 -1.74 -0.30 113.55 113.69 3hbr h SER 77 Ca 0.11 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3hbr h SER 77 Cb 0.25 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3hbr h SER 77 CO -0.00 0.64 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.15 3hbr h LEU 78 N 1.14 0.79 -0.17 5.07 3.38 -0.87 -1.82 115.31 122.82 3hbr h LEU 78 Ca 0.42 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hbr h LEU 78 Cb 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hbr h LEU 78 CO -0.17 0.97 0.01 0.40 0.09 0.00 0.00 178.44 179.73 3hbr h ILE 79 N 0.60 1.24 -0.65 1.22 2.04 -1.12 -0.90 117.51 119.94 3hbr h ILE 79 Ca 0.10 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3hbr h ILE 79 Cb 0.63 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3hbr h ILE 79 CO 0.04 0.24 0.25 0.00 0.00 0.00 0.00 178.15 178.69 3hbr h ALA 80 N 0.79 1.23 0.17 1.87 0.00 -1.01 -2.15 119.26 120.15 3hbr h ALA 80 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hbr h ALA 80 Cb 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hbr h ALA 80 CO 0.01 0.56 -0.08 -0.07 0.00 0.00 0.00 179.25 179.67 3hbr h LEU 81 N 0.93 -0.20 -1.76 0.00 3.38 -1.18 0.04 115.31 116.52 3hbr h LEU 81 Ca 0.22 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3hbr h LEU 81 Cb 0.19 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hbr h LEU 81 CO -0.02 0.24 0.29 -0.78 0.09 0.00 0.00 178.44 178.27 3hbr h ASP 82 N -0.69 0.26 0.24 -0.43 1.82 -1.11 -2.26 116.42 114.24 3hbr h ASP 82 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 3hbr h ASP 82 Cb 0.49 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.45 3hbr h ASP 82 CO 0.04 0.17 -0.18 0.18 -1.61 0.00 0.00 179.24 177.84 3hbr n LEU 83 N -4.47 0.91 0.00 2.28 4.77 -0.82 -4.93 117.00 114.74 3hbr n LEU 83 Ca 0.06 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3hbr n LEU 83 Cb 0.29 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hbr n LEU 83 CO 0.35 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3hbr n GLY 84 N 1.30 0.53 0.30 -0.72 0.00 -0.85 -4.90 105.19 100.86 3hbr n GLY 84 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.18 -3.23 1.61 2.07 -1.26 -3.36 116.25 113.27 3hbr h VAL 85 Ca 0.00 -0.56 -0.66 0.00 0.82 0.00 0.00 66.70 66.29 3hbr h VAL 85 Cb 0.07 0.60 -0.31 0.00 -1.52 0.00 0.00 31.29 30.12 3hbr h VAL 85 CO 0.00 0.22 -0.80 -0.69 0.02 0.00 0.00 177.57 176.32 3hbr s VAL 86 N -5.33 2.68 0.04 2.57 1.01 -0.75 -5.01 120.40 115.60 3hbr s VAL 86 Ca -0.09 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 3hbr s VAL 86 Cb 0.16 -2.17 -0.15 0.00 0.00 0.00 0.00 36.38 34.22 3hbr s VAL 86 CO 0.77 0.49 1.32 0.50 0.00 0.00 0.00 175.10 178.18 3hbr h LYS 87 N 7.95 -0.92 0.00 2.72 3.64 -1.88 -3.40 116.57 124.68 3hbr h LYS 87 Ca -0.43 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 3hbr h LYS 87 Cb 1.15 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 3hbr h LYS 87 CO 0.62 -0.62 -0.00 -0.40 -2.27 0.00 0.00 179.45 176.78 3hbr n ASP 88 N -4.75 -0.33 0.00 4.20 5.68 -1.26 -5.03 116.55 115.06 3hbr n ASP 88 Ca -0.12 -1.36 0.12 0.00 -0.50 0.00 0.00 54.79 52.93 3hbr n ASP 88 Cb 0.38 0.59 0.68 0.00 -1.14 0.00 0.00 41.12 41.63 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 -0.11 0.66 -0.01 0.11 0.00 -1.26 -3.08 120.64 116.95 3hbr n GLU 89 Ca -0.00 0.02 0.08 0.00 0.00 0.00 0.00 57.16 57.25 3hbr n GLU 89 Cb 0.12 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.95 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 -1.06 0.00 -1.69 -1.84 8.25 -1.26 -3.69 115.22 113.93 3hbr n HIS 90 Ca 0.16 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.18 3hbr n HIS 90 Cb 0.10 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 -1.94 2.31 -3.51 -0.41 7.27 -1.18 -4.90 117.38 115.03 3hbr n GLN 91 Ca -0.02 0.83 -0.37 0.00 0.07 0.00 0.00 57.00 57.51 3hbr n GLN 91 Cb 0.37 -2.59 -0.07 0.00 2.41 0.00 0.00 30.24 30.37 3hbr n GLN 91 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3hbr s VAL 92 N 0.58 5.24 -0.43 1.69 1.01 -1.26 -4.12 120.40 123.11 3hbr s VAL 92 Ca 0.73 0.66 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 3hbr s VAL 92 Cb -0.61 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.19 3hbr s VAL 92 CO 0.41 0.44 0.27 -0.36 0.00 0.00 0.00 175.10 175.86 3hbr s PHE 93 N 0.05 3.40 0.45 5.22 0.40 0.28 -4.97 117.98 122.82 3hbr s PHE 93 Ca 0.20 -1.79 -0.24 0.00 -0.60 0.00 0.00 56.93 54.50 3hbr s PHE 93 Cb -0.14 -3.13 -0.07 0.00 0.51 0.00 0.00 43.02 40.18 3hbr s PHE 93 CO 0.07 -0.91 1.29 0.15 0.70 0.00 0.00 175.22 176.52 3hbr s LYS 94 N 1.35 3.70 0.39 0.44 1.02 -1.26 -1.67 119.74 123.71 3hbr s LYS 94 Ca 0.04 2.11 -0.27 0.00 0.02 0.00 0.00 55.97 57.87 3hbr s LYS 94 Cb -0.24 -2.55 -0.10 0.00 -0.52 0.00 0.00 37.83 34.43 3hbr s LYS 94 CO 0.00 -0.70 1.38 -0.46 -0.92 0.00 0.00 175.35 174.65 3hbr s TRP 95 N -1.33 2.74 -2.15 3.18 -0.00 -1.26 -4.89 118.94 115.23 3hbr s TRP 95 Ca 0.62 1.32 0.26 0.00 -0.00 0.00 0.00 56.10 58.30 3hbr s TRP 95 Cb -0.37 -3.82 1.35 0.00 -0.00 0.00 0.00 33.47 30.63 3hbr s TRP 95 CO 0.46 -2.45 1.89 -0.40 -0.00 0.00 0.00 176.95 176.46 3hbr n ASP 96 N 0.32 0.56 0.00 5.86 5.68 -1.26 -4.90 116.55 122.80 3hbr n ASP 96 Ca 0.02 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 3hbr n ASP 96 Cb 0.42 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3hbr n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbr n GLY 97 N 1.00 1.88 3.65 6.12 0.00 -1.26 -5.01 105.19 111.56 3hbr n GLY 97 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3hbr n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbr s GLN 98 N -0.23 4.17 0.20 1.61 -0.21 -1.26 -5.04 119.66 118.90 3hbr s GLN 98 Ca 0.00 0.56 -0.30 0.00 0.02 0.00 0.00 55.36 55.64 3hbr s GLN 98 Cb 0.00 -3.60 -0.08 0.00 1.00 0.00 0.00 33.01 30.33 3hbr s GLN 98 CO 0.00 -0.29 0.98 0.95 -2.12 0.00 0.00 175.29 174.81 3hbr s THR 99 N 2.10 4.09 0.33 -0.19 -4.23 -1.26 -4.93 115.64 111.55 3hbr s THR 99 Ca 0.27 1.96 0.07 0.00 -1.18 0.00 0.00 61.69 62.81 3hbr s THR 99 Cb -0.16 -4.25 -0.07 0.00 1.34 0.00 0.00 72.50 69.37 3hbr s THR 99 CO 0.10 0.41 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.42 3hbr s ARG 100 N -0.81 1.72 0.22 3.99 0.52 -1.26 -5.06 118.95 118.27 3hbr s ARG 100 Ca 0.44 -1.91 -0.10 0.00 -0.52 0.00 0.00 55.73 53.63 3hbr s ARG 100 Cb -0.26 -1.34 0.33 0.00 0.52 0.00 0.00 34.95 34.19 3hbr s ARG 100 CO 0.33 0.01 1.64 -0.44 0.02 0.00 0.00 175.30 176.86 3hbr h ASP 101 N 2.08 -0.38 -3.64 0.23 3.32 -2.01 -3.40 116.42 112.62 3hbr h ASP 101 Ca -0.41 0.18 -0.63 0.00 0.02 0.00 0.00 57.03 56.19 3hbr h ASP 101 Cb 1.24 0.33 -0.14 0.00 0.22 0.00 0.00 39.33 40.98 3hbr h ASP 101 CO 0.71 -0.16 -0.10 -0.63 -1.72 0.00 0.00 179.24 177.34 3hbr s ILE 102 N -6.16 5.10 0.24 0.35 1.01 -1.26 -4.97 121.20 115.51 3hbr s ILE 102 Ca -0.14 0.65 -0.06 0.00 0.00 0.00 0.00 60.65 61.11 3hbr s ILE 102 Cb 0.20 -3.81 0.22 0.00 0.01 0.00 0.00 42.46 39.08 3hbr s ILE 102 CO 0.74 0.05 1.86 0.00 0.00 0.00 0.00 174.94 177.59 3hbr h ALA 103 N 8.17 1.18 0.00 9.38 0.00 -2.02 -1.49 119.26 134.47 3hbr h ALA 103 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hbr h ALA 103 Cb 1.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hbr h ALA 103 CO 0.70 0.32 0.00 0.25 0.00 0.00 0.00 179.25 180.52 3hbr n THR 104 N -4.59 1.35 0.42 0.00 -2.24 -1.26 -1.99 114.28 105.96 3hbr n THR 104 Ca 0.12 0.57 0.12 0.00 -2.27 0.00 0.00 64.05 62.59 3hbr n THR 104 Cb 0.15 -1.54 0.20 0.00 -2.10 0.00 0.00 70.33 67.04 3hbr n THR 104 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3hbr h TRP 105 N 0.00 0.00 -0.36 4.78 4.06 -1.62 -3.40 115.95 119.41 3hbr h TRP 105 Ca 0.00 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.72 3hbr h TRP 105 Cb 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.11 3hbr h TRP 105 CO 0.00 0.00 0.29 0.09 -3.56 0.00 0.00 178.44 175.26 3hbr n ASN 106 N -2.50 5.11 -3.68 -3.49 3.02 -0.84 -4.86 115.26 108.02 3hbr n ASN 106 Ca 0.03 -2.79 -0.10 0.00 -0.03 0.00 0.00 54.58 51.69 3hbr n ASN 106 Cb 0.48 -0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 3hbr n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hbr s ARG 107 N -1.32 1.73 0.52 3.52 1.70 -1.26 -5.00 118.95 118.83 3hbr s ARG 107 Ca 0.23 -1.38 -0.20 0.00 -0.47 0.00 0.00 55.73 53.90 3hbr s ARG 107 Cb 0.18 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.99 3hbr s ARG 107 CO 0.01 -0.74 1.13 -0.51 -1.08 0.00 0.00 175.30 174.11 3hbr s ASP 108 N -3.07 5.90 0.02 -2.89 1.11 -1.26 -4.09 116.67 112.39 3hbr s ASP 108 Ca 0.23 2.17 0.01 0.00 0.18 0.00 0.00 52.55 55.15 3hbr s ASP 108 Cb -0.01 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 3hbr s ASP 108 CO 0.12 -1.10 -0.06 -1.00 1.18 0.00 0.00 175.17 174.32 3hbr s HIS 109 N -1.74 0.50 0.49 4.23 3.76 -0.67 -4.93 115.29 116.92 3hbr s HIS 109 Ca 0.70 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 55.30 3hbr s HIS 109 Cb -0.24 -0.31 0.06 0.00 1.11 0.00 0.00 32.58 33.20 3hbr s HIS 109 CO 0.28 -0.08 0.52 0.27 -0.85 0.00 0.00 174.74 174.87 3hbr n ASN 110 N 1.94 2.17 -0.22 1.40 2.04 -1.26 0.98 115.26 122.32 3hbr n ASN 110 Ca -0.20 -2.48 0.03 0.00 -0.44 0.00 0.00 54.58 51.49 3hbr n ASN 110 Cb 0.56 -0.20 0.27 0.00 -2.53 0.00 0.00 39.78 37.89 3hbr n ASN 110 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3hbr h LEU 111 N 0.00 0.81 0.73 -4.53 5.85 -1.74 0.03 115.31 116.46 3hbr h LEU 111 Ca -0.27 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3hbr h LEU 111 Cb 1.08 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3hbr h LEU 111 CO 0.40 0.56 -0.38 0.40 -0.34 0.00 0.00 178.44 179.09 3hbr h ILE 112 N 0.95 0.23 0.00 4.05 1.08 -1.92 -2.45 117.51 119.44 3hbr h ILE 112 Ca 0.30 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.62 3hbr h ILE 112 Cb 0.02 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 3hbr h ILE 112 CO -0.08 0.00 -0.73 0.71 -0.69 0.00 0.00 178.15 177.35 3hbr h THR 113 N -1.02 1.49 -0.50 -0.27 1.35 -1.87 -1.69 112.91 110.41 3hbr h THR 113 Ca -0.10 -2.54 -0.08 0.00 -0.55 0.00 0.00 66.41 63.15 3hbr h THR 113 Cb 0.79 2.38 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 3hbr h THR 113 CO 0.15 0.72 -0.01 0.00 -0.25 0.00 0.00 175.52 176.13 3hbr h ALA 114 N 1.27 1.06 0.29 6.62 0.00 -1.04 0.05 119.26 127.50 3hbr h ALA 114 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3hbr h ALA 114 Cb 1.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hbr h ALA 114 CO 0.10 0.59 -0.14 1.98 0.00 0.00 0.00 179.25 181.77 3hbr h MET 115 N 0.77 -0.38 -0.94 0.00 -1.53 -1.34 0.15 114.93 111.67 3hbr h MET 115 Ca 0.15 0.03 0.15 0.00 -3.44 0.00 0.00 59.70 56.58 3hbr h MET 115 Cb 0.47 0.09 -0.08 0.00 -0.55 0.00 0.00 31.60 31.53 3hbr h MET 115 CO 0.02 -0.06 0.60 -0.22 0.14 0.00 0.00 176.91 177.39 3hbr h LYS 116 N -0.72 0.74 -0.50 0.39 3.64 -1.15 -2.40 116.57 116.57 3hbr h LYS 116 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hbr h LYS 116 Cb 0.49 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3hbr h LYS 116 CO 0.07 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.39 3hbr n TYR 117 N -4.60 0.66 -3.77 1.91 4.01 -0.01 -4.99 117.16 110.37 3hbr n TYR 117 Ca 0.19 -0.40 -0.33 0.00 -0.16 0.00 0.00 57.90 57.20 3hbr n TYR 117 Cb 0.47 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.28 -5.11 -4.47 7.72 7.64 -0.89 -4.79 113.62 115.00 3hbr n SER 118 Ca 0.19 -1.04 -0.44 0.00 1.01 0.00 0.00 58.87 58.59 3hbr n SER 118 Cb 0.55 -2.82 -0.01 0.00 -1.01 0.00 0.00 64.21 60.92 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 -3.40 4.89 0.25 0.44 1.01 0.48 -4.87 120.40 119.21 3hbr s VAL 119 Ca 0.40 -2.28 -0.11 0.00 0.00 0.00 0.00 61.98 59.99 3hbr s VAL 119 Cb -0.17 -4.89 0.37 0.00 0.00 0.00 0.00 36.38 31.69 3hbr s VAL 119 CO 0.89 -1.61 1.58 0.58 0.00 0.00 0.00 175.10 176.54 3hbr h VAL 120 N 5.06 0.10 0.00 2.92 2.07 -1.86 -2.26 116.25 122.28 3hbr h VAL 120 Ca 0.27 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 3hbr h VAL 120 Cb 0.92 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3hbr h VAL 120 CO 1.22 0.00 -0.13 1.55 0.02 0.00 0.00 177.57 180.23 3hbr h PRO 121 N -0.01 0.00 -0.55 1.57 0.13 -1.97 -0.31 132.00 130.87 3hbr h PRO 121 Ca 0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.53 3hbr h PRO 121 Cb 0.64 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 3hbr h PRO 121 CO -0.91 0.13 0.30 0.28 -0.23 0.00 0.00 178.00 177.56 3hbr h VAL 122 N 0.00 1.19 0.00 1.56 2.07 -1.83 -3.06 116.25 116.18 3hbr h VAL 122 Ca -0.00 -0.48 -0.20 0.00 0.82 0.00 0.00 66.70 66.84 3hbr h VAL 122 Cb 0.27 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3hbr h VAL 122 CO 0.02 0.20 -1.07 1.88 0.02 0.00 0.00 177.57 178.62 3hbr h TYR 123 N 0.74 0.00 -0.57 1.57 -1.99 -1.19 -2.69 116.97 112.84 3hbr h TYR 123 Ca 0.19 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.95 3hbr h TYR 123 Cb 0.06 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 3hbr h TYR 123 CO -0.01 0.83 0.34 1.96 -0.00 0.00 0.00 178.16 181.28 3hbr h GLN 124 N 0.00 0.65 -0.88 4.88 4.20 -1.17 -1.56 115.11 121.22 3hbr h GLN 124 Ca -0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3hbr h GLN 124 Cb 1.70 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.30 3hbr h GLN 124 CO 0.09 0.43 0.46 1.49 -0.67 0.00 0.00 178.83 180.63 3hbr h GLU 125 N 0.66 1.25 -0.11 1.46 4.57 -1.41 -0.61 114.58 120.39 3hbr h GLU 125 Ca 0.23 -0.16 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3hbr h GLU 125 Cb 0.04 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.35 3hbr h GLU 125 CO -0.11 0.93 -0.14 0.74 -1.18 0.00 0.00 179.01 179.26 3hbr h PHE 126 N 1.25 -0.35 -0.75 0.92 0.04 -1.30 0.41 116.94 117.16 3hbr h PHE 126 Ca 0.31 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 61.05 3hbr h PHE 126 Cb 0.07 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3hbr h PHE 126 CO 0.01 -0.20 0.27 0.00 -0.60 0.00 0.00 178.31 177.79 3hbr h ALA 127 N 0.87 0.98 -0.82 2.45 0.00 -0.84 0.31 119.26 122.23 3hbr h ALA 127 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hbr h ALA 127 Cb 0.30 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3hbr h ALA 127 CO -0.21 0.64 0.48 0.00 0.00 0.00 0.00 179.25 180.15 3hbr h ARG 128 N 1.11 1.11 -0.05 0.00 3.08 -0.96 -1.44 114.38 117.22 3hbr h ARG 128 Ca 0.25 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.04 3hbr h ARG 128 Cb 0.26 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3hbr h ARG 128 CO -0.01 0.79 -0.66 1.96 -1.07 0.00 0.00 179.97 180.98 3hbr h GLN 129 N 1.13 0.22 0.13 0.04 4.20 0.29 -3.29 115.11 117.83 3hbr h GLN 129 Ca 0.29 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3hbr h GLN 129 Cb -0.02 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hbr h GLN 129 CO -0.05 0.80 -0.06 0.82 -0.67 0.00 0.00 178.83 179.66 3hbr h ILE 130 N 0.16 1.00 0.00 2.54 2.04 -0.30 -3.50 117.51 119.45 3hbr h ILE 130 Ca -0.01 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3hbr h ILE 130 Cb 1.18 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3hbr h ILE 130 CO 0.10 0.14 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3hbr n GLY 131 N -0.42 -0.53 0.28 5.37 0.00 -0.56 -4.40 105.19 104.92 3hbr n GLY 131 Ca -0.09 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 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 0.89 0.24 1.61 4.81 -1.92 -1.51 114.58 118.69 3hbr h GLU 132 Ca 0.00 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3hbr h GLU 132 Cb 0.00 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3hbr h GLU 132 CO 0.00 1.00 -0.40 0.00 -0.73 0.00 0.00 179.01 178.87 3hbr h ALA 133 N 1.01 -0.78 -0.01 2.92 0.00 -2.00 -0.50 119.26 119.90 3hbr h ALA 133 Ca 0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3hbr h ALA 133 Cb 0.72 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3hbr h ALA 133 CO 0.06 -0.99 -0.74 0.00 0.00 0.00 0.00 179.25 177.58 3hbr h ARG 134 N -0.72 0.07 -0.29 0.00 3.08 -1.76 -1.52 114.38 113.25 3hbr h ARG 134 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3hbr h ARG 134 Cb 0.69 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3hbr h ARG 134 CO -0.16 0.77 0.06 1.98 -1.07 0.00 0.00 179.97 181.55 3hbr h MET 135 N 0.04 0.47 -0.40 0.04 4.05 -1.24 -1.19 114.93 116.70 3hbr h MET 135 Ca -0.01 -0.12 -0.10 0.00 -0.28 0.00 0.00 59.70 59.19 3hbr h MET 135 Cb 1.30 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 3hbr h MET 135 CO 0.10 0.56 -0.12 1.03 0.23 0.00 0.00 176.91 178.71 3hbr h SER 136 N 0.30 0.81 -0.76 1.39 0.87 -1.00 -0.67 113.55 114.49 3hbr h SER 136 Ca 0.09 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3hbr h SER 136 Cb 0.31 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3hbr h SER 136 CO 0.00 1.00 0.49 0.50 -0.53 0.00 0.00 176.83 178.30 3hbr h LYS 137 N 0.61 1.02 -0.29 2.24 3.64 -1.31 -2.20 116.57 120.27 3hbr h LYS 137 Ca 0.10 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3hbr h LYS 137 Cb 0.66 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3hbr h LYS 137 CO 0.05 0.69 0.02 0.52 -2.27 0.00 0.00 179.45 178.45 3hbr h MET 138 N 1.04 0.50 -0.71 1.90 2.86 -0.82 -2.14 114.93 117.56 3hbr h MET 138 Ca 0.28 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3hbr h MET 138 Cb -0.10 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3hbr h MET 138 CO -0.06 0.63 0.37 -0.07 1.06 0.00 0.00 176.91 178.84 3hbr h LEU 139 N 0.31 0.89 -0.31 1.22 3.38 -1.06 -0.86 115.31 118.88 3hbr h LEU 139 Ca 0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3hbr h LEU 139 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hbr h LEU 139 CO 0.01 0.73 0.03 -0.74 0.09 0.00 0.00 178.44 178.56 3hbr h HIS 140 N 1.00 0.56 -0.98 1.13 2.76 -1.33 -1.61 115.15 116.68 3hbr h HIS 140 Ca 0.25 -0.09 0.18 0.00 -2.20 0.00 0.00 60.37 58.52 3hbr h HIS 140 Cb 0.05 -0.15 -0.11 0.00 1.55 0.00 0.00 27.41 28.75 3hbr h HIS 140 CO 0.01 0.63 0.59 0.00 -1.30 0.00 0.00 177.93 177.85 3hbr h ALA 141 N 0.86 1.61 0.00 5.26 0.00 -1.07 -2.07 119.26 123.85 3hbr h ALA 141 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hbr h ALA 141 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hbr h ALA 141 CO 0.01 -0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.40 3hbr n PHE 142 N -4.78 0.64 -2.65 0.00 0.99 -0.36 -4.80 117.46 106.50 3hbr n PHE 142 Ca 0.22 0.19 -0.20 0.00 -0.00 0.00 0.00 57.45 57.67 3hbr n PHE 142 Cb 0.55 -0.82 0.00 0.00 -1.00 0.00 0.00 39.48 38.22 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 -2.03 -5.43 -4.55 4.37 2.03 -0.78 -4.89 116.55 105.27 3hbr n ASP 143 Ca 0.05 -0.08 -0.40 0.00 0.52 0.00 0.00 54.79 54.89 3hbr n ASP 143 Cb 0.37 -4.49 -0.03 0.00 -0.72 0.00 0.00 41.12 36.25 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 -2.99 2.06 0.00 -0.67 6.14 -0.67 -4.87 117.35 116.35 3hbr s TYR 144 Ca 0.11 0.27 0.00 0.00 0.64 0.00 0.00 57.07 58.09 3hbr s TYR 144 Cb -0.05 -4.43 0.00 0.00 0.42 0.00 0.00 41.96 37.90 3hbr s TYR 144 CO 0.14 -2.16 0.00 0.41 0.64 0.00 0.00 175.55 174.58 3hbr n GLY 145 N 5.49 3.13 0.30 8.97 0.00 -1.26 -1.94 105.19 119.89 3hbr n GLY 145 Ca 0.10 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 3.13 1.11 -2.79 1.61 2.04 -0.93 -4.98 115.26 114.45 3hbr n ASN 146 Ca 0.00 -1.05 -0.21 0.00 -0.44 0.00 0.00 54.58 52.88 3hbr n ASN 146 Cb 0.00 0.07 0.01 0.00 -2.53 0.00 0.00 39.78 37.34 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 -0.43 -3.48 -3.23 -3.83 1.02 -0.82 -4.93 120.64 104.95 3hbr n GLU 147 Ca 0.15 0.89 -0.45 0.00 -0.02 0.00 0.00 57.16 57.72 3hbr n GLU 147 Cb 0.34 -5.65 -0.01 0.00 -0.02 0.00 0.00 31.44 26.10 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 -2.43 7.00 0.00 1.62 2.15 -1.26 -4.93 116.67 118.82 3hbr s ASP 148 Ca 0.18 -2.99 0.00 0.00 0.43 0.00 0.00 52.55 50.17 3hbr s ASP 148 Cb -0.08 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 3hbr s ASP 148 CO 0.23 -0.55 0.00 2.30 -0.17 0.00 0.00 175.17 176.97 3hbr n ILE 149 N 3.79 0.00 0.00 4.11 -0.00 -1.26 -1.87 119.36 124.12 3hbr n ILE 149 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.97 3hbr n ILE 149 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.08 3hbr n ILE 149 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hbr n GLY 151 N 3.44 0.00 2.14 3.28 0.00 -1.26 -4.91 105.19 107.89 3hbr n GLY 151 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3hbr n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hbr n ASN 152 N 0.00 5.80 -0.05 1.61 4.13 -1.26 -4.93 115.26 120.56 3hbr n ASN 152 Ca 0.00 -3.74 -0.14 0.00 1.68 0.00 0.00 54.58 52.38 3hbr n ASN 152 Cb 0.00 -0.83 -0.08 0.00 -1.54 0.00 0.00 39.78 37.33 3hbr n ASN 152 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3hbr h VAL 153 N 1.15 1.38 -0.41 2.41 2.07 -1.96 -0.35 116.25 120.54 3hbr h VAL 153 Ca 0.55 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3hbr h VAL 153 Cb 1.51 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3hbr h VAL 153 CO 1.24 0.42 0.00 -0.90 0.02 0.00 0.00 177.57 178.35 3hbr n ASP 154 N -4.52 2.59 0.00 0.57 5.68 -1.26 -4.46 116.55 115.14 3hbr n ASP 154 Ca -0.07 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 3hbr n ASP 154 Cb 0.41 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3hbr n ASP 154 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hbr n SER 155 N 0.67 0.00 -0.03 -1.12 3.41 -1.10 -4.73 113.62 110.72 3hbr n SER 155 Ca 0.15 -0.79 0.18 0.00 -0.26 0.00 0.00 58.87 58.14 3hbr n SER 155 Cb 0.45 0.00 0.63 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 0.15 0.00 7.33 -0.00 -1.28 0.28 116.94 123.43 3hbr h PHE 156 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3hbr h PHE 156 Cb 0.40 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 36.30 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 -4.42 0.00 -0.04 6.09 2.14 -1.26 -1.20 117.44 118.74 3hbr n TRP 157 Ca 0.10 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.63 3hbr n TRP 157 Cb 0.54 -0.46 -0.06 0.00 -0.81 0.00 0.00 31.31 30.52 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 -1.46 0.50 0.00 5.67 4.32 0.84 -0.61 117.00 126.26 3hbr n LEU 158 Ca 0.08 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 3hbr n LEU 158 Cb 0.29 0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3hbr n LEU 158 CO 0.24 0.28 0.13 -0.90 -1.22 0.00 0.00 177.39 175.92 3hbr n ASP 159 N -2.38 0.00 -0.48 -1.43 5.68 -0.22 -4.45 116.55 113.26 3hbr n ASP 159 Ca -0.14 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 3hbr n ASP 159 Cb 0.75 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 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 1.54 0.08 6.12 0.00 -0.35 -4.98 105.19 107.60 3hbr n GLY 160 Ca 0.00 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.01 3.72 -0.02 0.00 -1.24 -4.91 105.19 106.73 3hbr n GLY 161 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.87 2.71 0.01 -0.61 2.07 -0.78 -4.71 121.20 117.02 3hbr s ILE 162 Ca 0.14 0.49 0.01 0.00 -1.41 0.00 0.00 60.65 59.88 3hbr s ILE 162 Cb 0.18 -3.32 -0.01 0.00 0.13 0.00 0.00 42.46 39.44 3hbr s ILE 162 CO 0.69 0.04 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.58 3hbr s ARG 163 N 1.23 0.34 -0.04 3.50 1.81 -1.26 -4.26 118.95 120.26 3hbr s ARG 163 Ca 0.70 -0.34 -0.07 0.00 -1.72 0.00 0.00 55.73 54.30 3hbr s ARG 163 Cb -0.43 -0.21 0.01 0.00 -0.45 0.00 0.00 34.95 33.87 3hbr s ARG 163 CO 0.31 0.05 0.17 -1.50 -0.68 0.00 0.00 175.30 173.65 3hbr s ILE 164 N -0.59 0.03 0.48 1.52 2.07 -0.01 -2.19 121.20 122.50 3hbr s ILE 164 Ca -0.04 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3hbr s ILE 164 Cb -0.05 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.24 3hbr s ILE 164 CO -0.00 -0.12 0.69 -0.94 -1.91 0.00 0.00 174.94 172.66 3hbr s SER 165 N -0.37 5.62 0.22 4.50 1.04 -1.26 -1.26 113.70 122.18 3hbr s SER 165 Ca -0.05 0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.40 3hbr s SER 165 Cb -0.03 -1.22 0.17 0.00 0.10 0.00 0.00 66.02 65.04 3hbr s SER 165 CO 0.01 -0.86 1.85 0.00 0.98 0.00 0.00 173.24 175.22 3hbr h ALA 166 N 0.32 1.04 -0.76 5.32 0.00 -1.68 -1.49 119.26 122.00 3hbr h ALA 166 Ca -0.44 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.37 3hbr h ALA 166 Cb 1.27 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3hbr h ALA 166 CO 0.54 0.53 0.50 1.79 0.00 0.00 0.00 179.25 182.61 3hbr h THR 167 N 1.12 1.18 -0.43 0.00 1.35 -1.84 -1.61 112.91 112.68 3hbr h THR 167 Ca 0.29 -0.35 -0.07 0.00 -0.55 0.00 0.00 66.41 65.73 3hbr h THR 167 Cb -0.00 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.47 3hbr h THR 167 CO -0.05 0.19 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.06 3hbr h GLU 168 N 1.01 0.70 -0.56 4.72 5.08 -1.79 -2.32 114.58 121.43 3hbr h GLU 168 Ca 0.29 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3hbr h GLU 168 Cb -0.09 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.02 3hbr h GLU 168 CO -0.07 0.72 0.23 1.96 -1.00 0.00 0.00 179.01 180.85 3hbr h GLN 169 N 0.66 0.42 -0.30 2.33 1.08 -0.74 -1.55 115.11 117.01 3hbr h GLN 169 Ca 0.13 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3hbr h GLN 169 Cb 0.43 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3hbr h GLN 169 CO 0.02 0.28 0.17 0.82 -0.95 0.00 0.00 178.83 179.17 3hbr h ILE 170 N 0.44 1.03 -0.33 2.54 1.08 -0.95 -1.06 117.51 120.26 3hbr h ILE 170 Ca 0.27 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.62 3hbr h ILE 170 Cb 0.27 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 3hbr h ILE 170 CO -0.24 0.07 0.20 0.28 -0.69 0.00 0.00 178.15 177.76 3hbr h SER 171 N 0.36 0.39 0.15 1.72 0.02 -1.14 -0.39 113.55 114.66 3hbr h SER 171 Ca 0.12 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3hbr h SER 171 Cb 0.00 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3hbr h SER 171 CO -0.06 0.32 -0.19 0.15 -1.14 0.00 0.00 176.83 175.91 3hbr h PHE 172 N 0.43 -0.49 -0.98 3.45 3.04 -1.18 -2.86 116.94 118.35 3hbr h PHE 172 Ca 0.12 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.18 3hbr h PHE 172 Cb -0.00 0.20 -0.08 0.00 2.56 0.00 0.00 35.95 38.63 3hbr h PHE 172 CO -0.04 -0.28 0.62 -0.07 -2.02 0.00 0.00 178.31 176.52 3hbr h LEU 173 N -0.39 0.91 -0.86 0.59 3.38 -1.06 -1.71 115.31 116.17 3hbr h LEU 173 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hbr h LEU 173 Cb 0.38 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3hbr h LEU 173 CO -0.07 0.51 0.48 0.03 0.09 0.00 0.00 178.44 179.48 3hbr h ARG 174 N 0.99 1.20 -0.32 1.13 3.08 -0.93 0.19 114.38 119.73 3hbr h ARG 174 Ca 0.47 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 3hbr h ARG 174 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3hbr h ARG 174 CO -0.23 0.87 -0.01 0.87 -1.07 0.00 0.00 179.97 180.41 3hbr h LYS 175 N 1.20 0.57 -0.32 0.04 1.57 -1.20 -2.37 116.57 116.05 3hbr h LYS 175 Ca 0.30 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3hbr h LYS 175 Cb 0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3hbr h LYS 175 CO -0.05 0.71 0.08 1.25 -0.57 0.00 0.00 179.45 180.87 3hbr h LEU 176 N 0.37 0.05 -0.42 2.94 5.85 -1.03 0.74 115.31 123.81 3hbr h LEU 176 Ca 0.09 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3hbr h LEU 176 Cb 0.45 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3hbr h LEU 176 CO 0.02 0.07 -0.02 0.22 -0.34 0.00 0.00 178.44 178.38 3hbr h TYR 177 N 0.21 -0.07 -0.21 1.25 3.20 -0.58 -1.65 116.97 119.11 3hbr h TYR 177 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3hbr h TYR 177 Cb 0.15 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 3hbr h TYR 177 CO -0.16 -0.11 0.01 0.72 -1.64 0.00 0.00 178.16 176.98 3hbr n HIS 178 N -5.23 0.76 -3.03 -3.82 8.25 -0.90 -4.89 115.22 106.36 3hbr n HIS 178 Ca 0.03 -0.29 -0.17 0.00 -0.26 0.00 0.00 57.72 57.03 3hbr n HIS 178 Cb 0.22 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 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 0.21 -3.06 -0.07 0.41 3.02 -0.62 -4.85 115.26 110.30 3hbr n ASN 179 Ca 0.10 -0.12 0.13 0.00 -0.03 0.00 0.00 54.58 54.67 3hbr n ASN 179 Cb 0.60 -2.60 0.41 0.00 -0.61 0.00 0.00 39.78 37.59 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 -3.26 0.31 -1.67 3.52 5.02 0.25 -4.92 118.16 117.41 3hbr n LYS 180 Ca -0.04 -0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 55.80 3hbr n LYS 180 Cb 0.54 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.79 2.96 -1.26 -0.35 1.43 -1.24 -4.94 118.68 112.48 3hbr s LEU 181 Ca 0.18 1.41 -0.06 0.00 -1.03 0.00 0.00 54.13 54.63 3hbr s LEU 181 Cb 0.19 -4.23 0.07 0.00 0.03 0.00 0.00 46.19 42.24 3hbr s LEU 181 CO 0.59 -1.47 2.56 1.41 0.23 0.00 0.00 176.35 179.67 3hbr n HIS 182 N -3.13 2.40 -4.14 0.29 8.25 -1.26 -4.81 115.22 112.83 3hbr n HIS 182 Ca 0.07 -2.75 -0.11 0.00 -0.26 0.00 0.00 57.72 54.67 3hbr n HIS 182 Cb 0.55 -1.91 -0.09 0.00 1.12 0.00 0.00 29.99 29.67 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 -0.60 0.00 0.76 1.59 -7.23 -1.26 -5.02 120.40 108.65 3hbr s VAL 183 Ca 0.58 -1.82 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 3hbr s VAL 183 Cb 0.21 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.78 3hbr s VAL 183 CO -0.10 -0.02 0.95 -1.54 -0.31 0.00 0.00 175.10 174.08 3hbr n SER 184 N -0.29 0.29 -0.26 4.85 3.41 -1.26 -4.87 113.62 115.48 3hbr n SER 184 Ca 0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3hbr n SER 184 Cb 0.65 -1.40 0.13 0.00 -0.26 0.00 0.00 64.21 63.32 3hbr n SER 184 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hbr h GLU 185 N -0.54 0.74 -0.42 4.33 4.81 -1.92 -2.62 114.58 118.97 3hbr h GLU 185 Ca -0.47 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.80 3hbr h GLU 185 Cb 1.32 -0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 3hbr h GLU 185 CO 0.45 0.49 -0.12 -0.09 -0.73 0.00 0.00 179.01 179.01 3hbr h ARG 186 N 0.76 -0.02 -0.78 1.92 2.43 -1.99 -0.23 114.38 116.47 3hbr h ARG 186 Ca 0.34 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 3hbr h ARG 186 Cb 0.24 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3hbr h ARG 186 CO -0.20 -0.02 0.33 0.77 -1.51 0.00 0.00 179.97 179.34 3hbr h SER 187 N -0.03 1.05 -0.23 -3.80 0.02 -1.88 -0.55 113.55 108.14 3hbr h SER 187 Ca 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3hbr h SER 187 Cb 0.34 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3hbr h SER 187 CO -0.45 0.92 0.05 1.56 -1.14 0.00 0.00 176.83 177.78 3hbr h GLN 188 N 1.12 0.37 -0.69 3.45 4.20 -1.06 -1.92 115.11 120.59 3hbr h GLN 188 Ca 0.26 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.91 3hbr h GLN 188 Cb 0.19 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3hbr h GLN 188 CO -0.02 0.49 0.43 0.00 -0.67 0.00 0.00 178.83 179.05 3hbr h ARG 189 N 0.19 0.81 -0.40 1.46 3.08 -0.85 -1.86 114.38 116.82 3hbr h ARG 189 Ca 0.07 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 3hbr h ARG 189 Cb 0.29 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3hbr h ARG 189 CO 0.00 0.54 -0.18 0.82 -1.07 0.00 0.00 179.97 180.08 3hbr h ILE 190 N 0.83 1.28 -0.52 2.04 2.04 -1.05 -1.81 117.51 120.32 3hbr h ILE 190 Ca 0.28 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 3hbr h ILE 190 Cb 0.04 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3hbr h ILE 190 CO -0.11 0.44 0.01 0.58 0.00 0.00 0.00 178.15 179.07 3hbr h VAL 191 N 0.63 1.25 -0.28 1.67 2.07 -1.19 -0.72 116.25 119.68 3hbr h VAL 191 Ca 0.09 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 3hbr h VAL 191 Cb 0.73 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3hbr h VAL 191 CO 0.06 0.37 -0.11 0.11 0.02 0.00 0.00 177.57 178.01 3hbr h LYS 192 N 0.81 0.47 0.45 1.57 1.57 -1.19 0.45 116.57 120.70 3hbr h LYS 192 Ca 0.16 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3hbr h LYS 192 Cb 0.47 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3hbr h LYS 192 CO 0.02 0.58 -0.21 0.37 -0.57 0.00 0.00 179.45 179.64 3hbr h GLN 193 N 0.44 -0.58 -0.10 3.15 4.15 -0.90 -2.93 115.11 118.34 3hbr h GLN 193 Ca 0.08 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.57 3hbr h GLN 193 Cb 0.46 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 3hbr h GLN 193 CO 0.03 -0.34 0.10 0.00 -1.93 0.00 0.00 178.83 176.68 3hbr h ALA 194 N -0.15 1.83 0.00 3.38 0.00 -0.53 -0.14 119.26 123.64 3hbr h ALA 194 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hbr h ALA 194 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hbr h ALA 194 CO 0.10 -0.15 0.00 -1.33 0.00 0.00 0.00 179.25 177.87 3hbr n MET 195 N -4.07 0.19 -1.68 0.00 2.81 0.09 -4.71 117.12 109.75 3hbr n MET 195 Ca -0.00 0.34 -0.45 0.00 -1.81 0.00 0.00 57.70 55.78 3hbr n MET 195 Cb 0.21 -1.81 -0.04 0.00 -0.71 0.00 0.00 33.22 30.86 3hbr n MET 195 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3hbr n LEU 196 N -2.16 3.54 -0.01 4.03 7.94 -0.07 -1.00 117.00 129.27 3hbr n LEU 196 Ca 0.03 1.04 -0.02 0.00 -1.11 0.00 0.00 56.01 55.95 3hbr n LEU 196 Cb 0.28 -1.47 -0.01 0.00 0.53 0.00 0.00 43.42 42.74 3hbr n LEU 196 CO 0.22 -0.06 -0.58 0.41 -1.11 0.00 0.00 177.39 176.27 3hbr n THR 197 N 4.06 0.13 -3.75 1.96 -1.04 -0.02 -4.88 114.28 110.74 3hbr n THR 197 Ca 0.18 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.05 62.02 3hbr n THR 197 Cb 0.32 -1.20 -0.11 0.00 -1.82 0.00 0.00 70.33 67.52 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 -2.04 0.40 -0.12 -2.82 2.12 -1.02 -5.01 118.70 110.21 3hbr s GLU 198 Ca -0.03 0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.71 3hbr s GLU 198 Cb 0.01 0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.59 3hbr s GLU 198 CO 0.05 -0.07 0.32 0.00 -0.54 0.00 0.00 175.26 175.02 3hbr s ALA 199 N 0.37 -0.80 0.40 6.30 0.00 -1.26 -0.25 121.76 126.52 3hbr s ALA 199 Ca -0.01 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3hbr s ALA 199 Cb -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3hbr s ALA 199 CO -0.01 -0.15 0.17 -0.80 0.00 0.00 0.00 175.76 174.96 3hbr s ASN 200 N 0.16 2.62 0.00 0.00 0.01 0.68 -5.01 114.94 113.40 3hbr s ASN 200 Ca -0.00 -1.73 0.27 0.00 -0.71 0.00 0.00 52.86 50.69 3hbr s ASN 200 Cb -0.02 0.57 1.45 0.00 0.41 0.00 0.00 41.25 43.66 3hbr s ASN 200 CO 0.00 -0.99 1.93 0.61 -1.51 0.00 0.00 177.10 177.14 3hbr n GLY 201 N -0.88 -1.03 0.05 0.66 0.00 -1.26 -3.68 105.19 99.06 3hbr n GLY 201 Ca -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.17 2.43 -3.61 1.61 8.00 -1.26 -5.07 116.55 117.48 3hbr n ASP 202 Ca 0.16 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.57 3hbr n ASP 202 Cb 0.16 0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 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 -2.26 -0.33 -0.08 1.24 -0.85 -1.24 -4.79 117.35 109.03 3hbr s TYR 203 Ca -0.07 0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.56 3hbr s TYR 203 Cb 0.03 0.61 0.01 0.00 0.38 0.00 0.00 41.96 42.99 3hbr s TYR 203 CO 0.42 -0.87 -0.14 0.42 -1.52 0.00 0.00 175.55 173.87 3hbr s ILE 204 N -3.55 1.30 -0.21 -3.49 1.01 -0.93 -0.23 121.20 115.09 3hbr s ILE 204 Ca 0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3hbr s ILE 204 Cb -0.02 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 3hbr s ILE 204 CO -0.04 0.40 -0.07 -0.63 0.00 0.00 0.00 174.94 174.60 3hbr s ILE 205 N 0.80 3.18 -0.14 2.92 1.01 0.66 -0.14 121.20 129.48 3hbr s ILE 205 Ca -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3hbr s ILE 205 Cb -0.16 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3hbr s ILE 205 CO 0.02 0.44 -0.08 -0.13 0.00 0.00 0.00 174.94 175.19 3hbr s ARG 206 N 1.43 3.52 0.22 2.79 0.52 -0.79 -0.84 118.95 125.80 3hbr s ARG 206 Ca 0.05 -0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 54.45 3hbr s ARG 206 Cb -0.14 -2.78 0.06 0.00 0.52 0.00 0.00 34.95 32.61 3hbr s ARG 206 CO -0.04 0.24 0.93 0.00 0.02 0.00 0.00 175.30 176.45 3hbr s ALA 207 N 0.31 -1.41 -0.14 2.13 0.00 -0.17 -0.90 121.76 121.59 3hbr s ALA 207 Ca -0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 3hbr s ALA 207 Cb -0.15 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.73 3hbr s ALA 207 CO 0.04 -1.04 0.32 0.21 0.00 0.00 0.00 175.76 175.30 3hbr s LYS 208 N -2.77 0.29 0.49 0.00 2.47 0.02 -4.69 119.74 115.54 3hbr s LYS 208 Ca 0.16 0.66 -0.14 0.00 -1.56 0.00 0.00 55.97 55.09 3hbr s LYS 208 Cb -0.03 -0.07 -0.07 0.00 -1.46 0.00 0.00 37.83 36.20 3hbr s LYS 208 CO 0.06 -0.16 0.91 0.95 0.16 0.00 0.00 175.35 177.26 3hbr s THR 209 N 1.34 4.65 0.06 3.43 -4.23 -1.26 -2.26 115.64 117.37 3hbr s THR 209 Ca -0.09 0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 61.34 3hbr s THR 209 Cb -0.09 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3hbr s THR 209 CO -0.11 -0.68 0.04 -0.83 -0.54 0.00 0.00 174.62 172.50 3hbr s GLY 210 N -3.24 0.33 -0.23 3.99 0.00 -0.64 -3.19 107.32 104.34 3hbr s GLY 210 Ca 0.56 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 3hbr s GLY 210 CO 0.34 -1.09 0.36 -0.47 0.00 0.00 0.00 173.10 172.24 3hbr s TYR 211 N -3.63 -0.76 -0.31 1.90 6.04 -1.26 -1.17 117.35 118.16 3hbr s TYR 211 Ca 0.04 0.80 -0.07 0.00 0.04 0.00 0.00 57.07 57.87 3hbr s TYR 211 Cb 0.05 -0.01 0.02 0.00 -1.04 0.00 0.00 41.96 40.98 3hbr s TYR 211 CO -0.09 -0.69 0.10 0.45 -1.54 0.00 0.00 175.55 173.78 3hbr s SER 212 N 2.52 5.26 0.00 4.32 0.15 -0.32 -4.71 113.70 120.93 3hbr s SER 212 Ca 0.11 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.94 3hbr s SER 212 Cb -0.15 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 3hbr s SER 212 CO -0.15 -0.24 0.00 0.35 1.20 0.00 0.00 173.24 174.40 3hbr n THR 213 N 4.88 0.00 0.07 6.45 -2.24 -1.26 -1.49 114.28 120.69 3hbr n THR 213 Ca -0.14 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.25 3hbr n THR 213 Cb 0.47 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.00 -5.75 -0.78 3.08 -1.91 -3.45 114.38 105.57 3hbr h ARG 214 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3hbr h ARG 214 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 29.78 3hbr h ARG 214 CO 0.00 0.71 -0.83 0.42 -1.07 0.00 0.00 179.97 179.20 3hbr s ILE 215 N -2.80 1.43 0.45 2.04 1.01 -1.26 -5.02 121.20 117.05 3hbr s ILE 215 Ca 0.01 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.47 3hbr s ILE 215 Cb 0.09 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 41.24 3hbr s ILE 215 CO 0.80 0.24 1.03 -1.61 0.00 0.00 0.00 174.94 175.40 3hbr s GLU 216 N -0.85 3.98 0.07 2.79 0.41 -1.26 -3.75 118.70 120.09 3hbr s GLU 216 Ca 0.06 1.39 -0.28 0.00 -0.41 0.00 0.00 54.97 55.73 3hbr s GLU 216 Cb -0.08 -2.27 -0.05 0.00 -1.78 0.00 0.00 34.13 29.94 3hbr s GLU 216 CO 0.01 -0.28 0.88 -1.25 -0.49 0.00 0.00 175.26 174.13 3hbr s PRO 217 N -2.94 4.60 0.05 0.39 0.04 -1.26 -5.06 135.00 130.82 3hbr s PRO 217 Ca 0.63 1.29 -0.36 0.00 0.04 0.00 0.00 61.00 62.60 3hbr s PRO 217 Cb -0.18 -3.38 -0.15 0.00 0.04 0.00 0.00 34.50 30.83 3hbr s PRO 217 CO 0.22 0.22 1.50 1.63 0.04 0.00 0.00 177.00 180.61 3hbr n LYS 218 N 2.90 1.53 -4.02 4.56 5.02 -1.25 -4.94 118.16 121.98 3hbr n LYS 218 Ca 0.01 0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 56.77 3hbr n LYS 218 Cb 0.50 -2.26 -0.10 0.00 -0.02 0.00 0.00 35.03 33.15 3hbr n LYS 218 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3hbr s ILE 219 N 1.23 0.17 0.08 -0.18 -4.36 -0.55 -1.60 121.20 115.99 3hbr s ILE 219 Ca 0.85 -1.40 0.04 0.00 -0.26 0.00 0.00 60.65 59.88 3hbr s ILE 219 Cb -0.86 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 3hbr s ILE 219 CO 0.47 -0.78 0.01 -0.83 0.24 0.00 0.00 174.94 174.05 3hbr s GLY 220 N -2.38 1.93 0.10 6.27 0.00 0.37 -1.17 107.32 112.44 3hbr s GLY 220 Ca -0.01 -1.09 0.07 0.00 0.00 0.00 0.00 44.72 43.69 3hbr s GLY 220 CO -0.07 -1.06 -0.18 0.86 0.00 0.00 0.00 173.10 172.65 3hbr s TRP 221 N -1.31 1.58 -0.10 1.90 -0.11 -0.32 -1.27 118.94 119.32 3hbr s TRP 221 Ca 0.26 -0.45 -0.04 0.00 1.22 0.00 0.00 56.10 57.09 3hbr s TRP 221 Cb -0.12 -0.86 0.05 0.00 -1.50 0.00 0.00 33.47 31.05 3hbr s TRP 221 CO 0.18 0.17 0.20 -0.46 -4.62 0.00 0.00 176.95 172.42 3hbr s TRP 222 N -1.41 -0.27 -0.01 5.86 -0.00 -0.53 -1.63 118.94 120.96 3hbr s TRP 222 Ca 0.05 0.72 -0.03 0.00 -0.00 0.00 0.00 56.10 56.84 3hbr s TRP 222 Cb -0.09 -0.11 -0.00 0.00 -0.00 0.00 0.00 33.47 33.27 3hbr s TRP 222 CO 0.04 -0.27 0.06 0.14 -0.00 0.00 0.00 176.95 176.92 3hbr s VAL 223 N 1.93 0.04 -0.20 5.86 -7.23 -0.96 -0.65 120.40 119.19 3hbr s VAL 223 Ca -0.02 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 3hbr s VAL 223 Cb -0.12 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.61 3hbr s VAL 223 CO -0.07 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3hbr n GLY 224 N 2.35 -0.50 3.50 2.32 0.00 -0.46 -0.80 105.19 111.60 3hbr n GLY 224 Ca -0.17 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.00 -0.47 -0.20 1.61 -2.14 -0.08 -1.03 118.94 112.64 3hbr s TRP 225 Ca 0.00 0.22 -0.01 0.00 2.66 0.00 0.00 56.10 58.97 3hbr s TRP 225 Cb 0.00 0.59 0.01 0.00 -3.10 0.00 0.00 33.47 30.97 3hbr s TRP 225 CO 0.00 -0.91 -0.14 0.54 -2.66 0.00 0.00 176.95 173.78 3hbr s VAL 226 N -3.76 2.57 -0.25 -0.66 0.11 0.03 -1.88 120.40 116.56 3hbr s VAL 226 Ca 0.03 -0.79 -0.19 0.00 -2.93 0.00 0.00 61.98 58.10 3hbr s VAL 226 Cb -0.02 -2.13 -0.02 0.00 -1.53 0.00 0.00 36.38 32.67 3hbr s VAL 226 CO -0.09 0.48 0.57 -1.61 -3.33 0.00 0.00 175.10 171.11 3hbr s GLU 227 N 1.36 4.11 0.44 1.54 2.02 0.80 -0.60 118.70 128.37 3hbr s GLU 227 Ca 0.05 0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.56 3hbr s GLU 227 Cb -0.14 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 3hbr s GLU 227 CO -0.09 -0.34 0.27 -0.51 0.02 0.00 0.00 175.26 174.61 3hbr s LEU 228 N 2.27 3.09 0.27 1.80 1.43 -0.23 -2.20 118.68 125.12 3hbr s LEU 228 Ca 0.24 -1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.30 3hbr s LEU 228 Cb -0.16 -1.54 0.62 0.00 0.03 0.00 0.00 46.19 45.14 3hbr s LEU 228 CO 0.09 -0.69 1.67 0.44 0.23 0.00 0.00 176.35 178.08 3hbr h ASP 229 N 1.18 0.03 0.00 2.29 3.32 -1.98 -3.26 116.42 118.00 3hbr h ASP 229 Ca -0.41 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3hbr h ASP 229 Cb 1.27 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.05 3hbr h ASP 229 CO 0.64 -0.10 -0.44 -0.90 -1.72 0.00 0.00 179.24 176.72 3hbr n ASP 230 N -5.18 1.27 -3.89 6.45 5.75 -1.26 -5.07 116.55 114.62 3hbr n ASP 230 Ca 0.19 -0.42 -0.09 0.00 -0.01 0.00 0.00 54.79 54.46 3hbr n ASP 230 Cb 0.60 1.05 -0.04 0.00 -1.03 0.00 0.00 41.12 41.69 3hbr n ASP 230 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3hbr s ASN 231 N -1.63 -0.17 -0.02 -1.12 3.04 -1.23 -4.93 114.94 108.89 3hbr s ASN 231 Ca 0.01 -0.72 0.02 0.00 0.04 0.00 0.00 52.86 52.20 3hbr s ASN 231 Cb 0.03 0.60 0.01 0.00 -1.54 0.00 0.00 41.25 40.34 3hbr s ASN 231 CO 0.15 -1.13 -0.05 0.54 -3.04 0.00 0.00 177.10 173.56 3hbr s VAL 232 N -3.95 0.47 -0.25 -5.21 0.11 -1.26 -1.06 120.40 109.25 3hbr s VAL 232 Ca 0.16 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 3hbr s VAL 232 Cb -0.01 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 3hbr s VAL 232 CO 0.04 0.16 -0.08 0.26 -3.33 0.00 0.00 175.10 172.15 3hbr s TRP 233 N 0.25 3.08 0.27 1.54 0.52 0.23 -2.03 118.94 122.80 3hbr s TRP 233 Ca -0.03 -1.69 -0.18 0.00 0.02 0.00 0.00 56.10 54.23 3hbr s TRP 233 Cb -0.07 -2.03 -0.09 0.00 -1.15 0.00 0.00 33.47 30.14 3hbr s TRP 233 CO -0.00 -0.76 0.74 -0.06 0.02 0.00 0.00 176.95 176.88 3hbr s PHE 234 N 1.29 3.52 0.05 -1.98 0.40 0.01 -0.79 117.98 120.47 3hbr s PHE 234 Ca -0.01 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 3hbr s PHE 234 Cb -0.17 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 3hbr s PHE 234 CO -0.05 0.22 -0.04 -0.59 0.70 0.00 0.00 175.22 175.45 3hbr s PHE 235 N -1.75 0.53 -0.25 0.36 -0.12 -0.19 -0.65 117.98 115.92 3hbr s PHE 235 Ca 0.49 -0.81 -0.09 0.00 -0.05 0.00 0.00 56.93 56.46 3hbr s PHE 235 Cb -0.14 -0.36 0.10 0.00 -0.63 0.00 0.00 43.02 42.00 3hbr s PHE 235 CO 0.19 -0.24 0.54 0.00 -0.05 0.00 0.00 175.22 175.66 3hbr s ALA 236 N -2.83 -1.59 0.01 1.99 0.00 -0.64 -1.35 121.76 117.34 3hbr s ALA 236 Ca -0.01 1.95 0.05 0.00 0.00 0.00 0.00 51.96 53.96 3hbr s ALA 236 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 3hbr s ALA 236 CO -0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 175.76 174.81 3hbr s MET 237 N 2.52 1.20 0.14 0.00 0.23 0.17 -1.07 119.30 122.49 3hbr s MET 237 Ca -0.05 -0.67 0.01 0.00 -1.03 0.00 0.00 55.69 53.96 3hbr s MET 237 Cb -0.11 -1.20 -0.04 0.00 -1.53 0.00 0.00 34.83 31.95 3hbr s MET 237 CO -0.16 0.32 -0.01 0.54 -2.03 0.00 0.00 175.02 173.67 3hbr s ASN 238 N -0.68 1.05 -0.08 -1.18 2.20 -0.50 -1.45 114.94 114.30 3hbr s ASN 238 Ca 0.05 -1.12 -0.28 0.00 -0.94 0.00 0.00 52.86 50.58 3hbr s ASN 238 Cb -0.07 0.14 0.06 0.00 -2.00 0.00 0.00 41.25 39.38 3hbr s ASN 238 CO 0.00 -0.56 0.63 0.00 -2.94 0.00 0.00 177.10 174.24 3hbr s MET 239 N -3.91 0.96 0.18 3.55 0.23 -0.39 0.08 119.30 120.00 3hbr s MET 239 Ca 0.19 0.32 -0.33 0.00 -1.03 0.00 0.00 55.69 54.84 3hbr s MET 239 Cb 0.06 0.45 -0.14 0.00 -1.53 0.00 0.00 34.83 33.68 3hbr s MET 239 CO 0.00 -0.27 1.53 -0.25 -2.03 0.00 0.00 175.02 174.01 3hbr n ASP 240 N 1.28 3.01 -3.31 -1.18 8.00 -0.66 -0.48 116.55 123.21 3hbr n ASP 240 Ca -0.18 1.10 -0.26 0.00 0.71 0.00 0.00 54.79 56.16 3hbr n ASP 240 Cb 0.57 -1.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.17 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 3.05 1.82 0.28 -1.24 1.56 -0.63 -4.73 117.12 117.23 3hbr n MET 241 Ca 0.16 -4.09 0.15 0.00 -0.27 0.00 0.00 57.70 53.64 3hbr n MET 241 Cb 0.29 -1.84 0.80 0.00 2.15 0.00 0.00 33.22 34.62 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 4.05 0.00 -4.49 2.12 0.13 -1.93 -3.41 132.00 128.47 3hbr h PRO 242 Ca 0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.09 3hbr h PRO 242 Cb 0.75 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.73 3hbr h PRO 242 CO 0.69 0.08 -0.69 0.95 -0.23 0.00 0.00 178.00 178.80 3hbr s THR 243 N -4.12 0.47 -1.07 1.56 -4.23 -1.26 -5.05 115.64 101.94 3hbr s THR 243 Ca -0.03 -1.89 0.21 0.00 -1.18 0.00 0.00 61.69 58.81 3hbr s THR 243 Cb 0.13 -1.67 0.21 0.00 1.34 0.00 0.00 72.50 72.50 3hbr s THR 243 CO 0.55 -0.87 1.68 -1.54 -0.54 0.00 0.00 174.62 173.90 3hbr n SER 244 N 0.00 0.00 0.28 3.99 3.41 -1.26 -3.73 113.62 116.31 3hbr n SER 244 Ca -0.12 0.41 0.14 0.00 -0.26 0.00 0.00 58.87 59.04 3hbr n SER 244 Cb 0.61 -0.47 0.82 0.00 -0.26 0.00 0.00 64.21 64.92 3hbr n SER 244 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3hbr h ASP 245 N 0.00 0.00 -0.44 4.04 1.82 -1.96 -2.74 116.42 117.13 3hbr h ASP 245 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 3hbr h ASP 245 Cb 0.34 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 3hbr h ASP 245 CO 0.00 0.06 0.06 0.61 -1.61 0.00 0.00 179.24 178.35 3hbr n GLY 246 N -1.06 2.70 0.16 -0.78 0.00 -1.24 -4.53 105.19 100.42 3hbr n GLY 246 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 2.60 0.06 -2.01 0.99 3.38 -1.76 -2.18 115.31 116.40 3hbr h LEU 247 Ca 0.05 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3hbr h LEU 247 Cb 1.65 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 3hbr h LEU 247 CO 0.40 0.60 0.37 1.23 0.09 0.00 0.00 178.44 181.13 3hbr h GLY 248 N 1.60 0.00 2.00 0.83 0.00 -1.86 -2.58 103.07 103.05 3hbr h GLY 248 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3hbr h GLY 248 CO 0.07 0.00 -0.17 1.41 0.00 0.00 0.00 176.54 177.85 3hbr h LEU 249 N 0.00 0.00 -0.12 3.11 3.38 -1.74 -2.10 115.31 117.84 3hbr h LEU 249 Ca 0.09 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3hbr h LEU 249 Cb 0.83 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 3hbr h LEU 249 CO -0.00 0.17 -0.49 0.03 0.09 0.00 0.00 178.44 178.24 3hbr h ARG 250 N 0.00 -0.54 0.16 1.13 3.08 -1.64 -0.52 114.38 116.05 3hbr h ARG 250 Ca -0.00 0.04 -0.31 0.00 0.07 0.00 0.00 59.98 59.77 3hbr h ARG 250 Cb 0.78 0.12 0.03 0.00 0.08 0.00 0.00 29.97 30.99 3hbr h ARG 250 CO 0.02 -0.36 -1.31 1.96 -1.07 0.00 0.00 179.97 179.21 3hbr h GLN 251 N -0.56 0.61 0.18 0.04 7.50 -1.77 -3.17 115.11 117.94 3hbr h GLN 251 Ca 0.05 -0.87 -0.01 0.00 0.50 0.00 0.00 58.65 58.32 3hbr h GLN 251 Cb 0.67 0.30 0.00 0.00 0.05 0.00 0.00 27.48 28.50 3hbr h GLN 251 CO -0.41 1.40 -0.08 0.00 -1.50 0.00 0.00 178.83 178.23 3hbr h ALA 252 N 0.25 -0.24 -0.80 3.87 0.00 -1.25 -1.47 119.26 119.63 3hbr h ALA 252 Ca -0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hbr h ALA 252 Cb 1.99 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 3hbr h ALA 252 CO 0.25 -0.56 0.42 0.82 0.00 0.00 0.00 179.25 180.18 3hbr h ILE 253 N -0.38 1.24 -0.79 0.00 2.04 -1.25 -2.05 117.51 116.31 3hbr h ILE 253 Ca -0.02 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.28 3hbr h ILE 253 Cb 0.30 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 3hbr h ILE 253 CO 0.04 0.28 0.46 0.74 0.00 0.00 0.00 178.15 179.67 3hbr h THR 254 N 1.12 0.97 -0.36 -0.27 2.02 -1.50 -2.25 112.91 112.64 3hbr h THR 254 Ca 0.28 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3hbr h THR 254 Cb 0.06 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3hbr h THR 254 CO -0.04 0.15 -0.33 0.11 0.37 0.00 0.00 175.52 175.78 3hbr h LYS 255 N 0.82 0.80 -0.59 6.66 1.57 -0.56 -1.21 116.57 124.05 3hbr h LYS 255 Ca 0.36 -0.38 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3hbr h LYS 255 Cb 0.25 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.48 3hbr h LYS 255 CO -0.21 1.01 0.15 0.93 -0.57 0.00 0.00 179.45 180.76 3hbr h GLU 256 N 0.67 0.28 -0.10 3.15 4.39 -1.28 0.24 114.58 121.93 3hbr h GLU 256 Ca 0.07 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3hbr h GLU 256 Cb 0.88 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3hbr h GLU 256 CO 0.08 0.18 0.05 0.28 -1.16 0.00 0.00 179.01 178.44 3hbr h VAL 257 N 0.29 1.12 -0.90 3.13 2.07 -1.25 -0.78 116.25 119.93 3hbr h VAL 257 Ca 0.31 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3hbr h VAL 257 Cb 0.44 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 3hbr h VAL 257 CO -0.38 0.11 0.58 -0.07 0.02 0.00 0.00 177.57 177.83 3hbr h LEU 258 N 0.03 0.86 -0.21 2.57 3.38 -0.52 -0.72 115.31 120.69 3hbr h LEU 258 Ca 0.03 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3hbr h LEU 258 Cb 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hbr h LEU 258 CO -0.00 0.53 -0.58 0.11 0.09 0.00 0.00 178.44 178.58 3hbr h LYS 259 N 0.96 0.77 -0.89 1.13 1.57 -0.43 0.70 116.57 120.38 3hbr h LYS 259 Ca 0.40 -0.54 0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3hbr h LYS 259 Cb 0.30 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 3hbr h LYS 259 CO -0.16 1.16 0.53 0.37 -0.57 0.00 0.00 179.45 180.78 3hbr h GLN 260 N 0.50 0.82 -0.15 3.15 4.15 -0.63 -1.99 115.11 120.95 3hbr h GLN 260 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3hbr h GLN 260 Cb 1.20 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3hbr h GLN 260 CO 0.13 0.54 0.00 0.39 -1.93 0.00 0.00 178.83 177.96 3hbr n GLU 261 N -4.71 1.45 -1.94 1.69 -0.58 -0.32 -4.88 120.64 111.35 3hbr n GLU 261 Ca 0.16 -0.69 -0.19 0.00 -0.42 0.00 0.00 57.16 56.02 3hbr n GLU 261 Cb 0.33 -1.25 -0.05 0.00 -0.57 0.00 0.00 31.44 29.90 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 -0.02 -1.41 0.07 3.49 4.76 -0.75 -4.87 118.16 119.43 3hbr n LYS 262 Ca 0.11 1.05 -0.21 0.00 -2.87 0.00 0.00 58.31 56.39 3hbr n LYS 262 Cb 0.20 -5.47 -0.12 0.00 -1.84 0.00 0.00 35.03 27.80 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 1.28 -4.19 -0.18 2.04 -1.10 -3.44 117.51 111.91 3hbr h ILE 263 Ca -0.42 -2.35 -0.51 0.00 1.00 0.00 0.00 64.86 62.58 3hbr h ILE 263 Cb 1.28 2.53 -0.27 0.00 -0.74 0.00 0.00 36.82 39.62 3hbr h ILE 263 CO 0.55 0.72 -0.82 0.27 0.00 0.00 0.00 178.15 178.87 3hbr s ILE 264 N -3.16 1.31 -2.00 -0.67 -4.36 -1.16 -5.03 121.20 106.14 3hbr s ILE 264 Ca -0.10 -0.87 0.12 0.00 -0.26 0.00 0.00 60.65 59.55 3hbr s ILE 264 Cb 0.06 -1.12 0.34 0.00 1.25 0.00 0.00 42.46 42.99 3hbr s ILE 264 CO 0.93 0.24 1.15 -0.81 0.24 0.00 0.00 174.94 176.69