#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8m h ILE 18 N 0.00 1.21 -0.01 1.09 2.04 -2.07 -3.26 117.51 116.50 3d8m h ILE 18 Ca 0.00 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.74 3d8m h ILE 18 Cb 0.00 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3d8m h ILE 18 CO 0.00 0.56 -0.13 0.59 0.00 0.00 0.00 178.15 179.17 3d8m n ASN 19 N -3.55 1.56 -0.02 1.72 4.13 -1.26 -3.86 115.26 113.98 3d8m n ASN 19 Ca -0.00 -1.35 -0.16 0.00 1.68 0.00 0.00 54.58 54.75 3d8m n ASN 19 Cb 0.64 0.09 -0.11 0.00 -1.54 0.00 0.00 39.78 38.86 3d8m n ASN 19 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3d8m h ASP 20 N 2.24 0.35 -0.78 6.41 3.32 -1.99 -1.97 116.42 124.01 3d8m h ASP 20 Ca 0.00 -0.76 0.18 0.00 0.02 0.00 0.00 57.03 56.47 3d8m h ASP 20 Cb 0.59 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 39.88 3d8m h ASP 20 CO 0.00 1.06 -0.11 0.47 -1.72 0.00 0.00 179.24 178.94 3d8m n ASP 21 N -4.39 -0.21 0.22 6.45 8.00 -1.25 0.10 116.55 125.48 3d8m n ASP 21 Ca -0.10 1.34 -0.13 0.00 0.71 0.00 0.00 54.79 56.62 3d8m n ASP 21 Cb 0.57 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 41.16 3d8m n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3d8m h LEU 22 N 0.00 -0.52 -0.71 0.64 3.38 -1.72 -0.72 115.31 115.66 3d8m h LEU 22 Ca 0.41 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.45 3d8m h LEU 22 Cb 0.73 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 3d8m h LEU 22 CO -0.78 -0.12 0.14 -0.08 0.09 0.00 0.00 178.44 177.69 3d8m h GLU 23 N -1.00 0.23 0.00 1.13 4.81 -0.37 0.19 114.58 119.57 3d8m h GLU 23 Ca -0.06 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3d8m h GLU 23 Cb 0.57 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3d8m h GLU 23 CO 0.10 0.15 -0.39 0.00 -0.73 0.00 0.00 179.01 178.14 3d8m h ALA 24 N 1.60 1.22 0.10 2.92 0.00 0.75 -2.73 119.26 123.12 3d8m h ALA 24 Ca 0.40 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3d8m h ALA 24 Cb 0.67 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.42 3d8m h ALA 24 CO -0.52 0.49 -0.79 0.82 0.00 0.00 0.00 179.25 179.26 3d8m h ILE 25 N 0.00 1.48 0.00 0.00 2.04 0.38 -2.90 117.51 118.50 3d8m h ILE 25 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 3d8m h ILE 25 Cb 0.76 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 3d8m h ILE 25 CO 0.05 0.69 0.00 0.59 0.00 0.00 0.00 178.15 179.48 3d8m n ASN 26 N -4.13 0.00 -0.11 1.72 3.02 0.50 -1.83 115.26 114.44 3d8m n ASN 26 Ca -0.13 -0.15 -0.21 0.00 -0.03 0.00 0.00 54.58 54.06 3d8m n ASN 26 Cb 0.79 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.88 3d8m n ASN 26 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3d8m n SER 27 N -0.81 1.79 0.12 6.41 2.88 -1.05 -4.36 113.62 118.59 3d8m n SER 27 Ca 0.02 0.16 0.10 0.00 -1.33 0.00 0.00 58.87 57.81 3d8m n SER 27 Cb 0.01 -0.55 0.47 0.00 -0.75 0.00 0.00 64.21 63.39 3d8m n SER 27 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3d8m n GLU 28 N -3.72 0.13 -0.21 -1.46 1.02 -0.93 -0.59 120.64 114.88 3d8m n GLU 28 Ca -0.41 0.54 0.05 0.00 -0.02 0.00 0.00 57.16 57.32 3d8m n GLU 28 Cb 0.83 -1.85 0.15 0.00 -0.02 0.00 0.00 31.44 30.55 3d8m n GLU 28 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d8m n LEU 29 N -2.10 1.99 0.00 -4.62 4.77 -0.76 -4.21 117.00 112.06 3d8m n LEU 29 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 3d8m n LEU 29 Cb 0.09 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3d8m n LEU 29 CO 0.11 0.44 -0.18 0.41 -1.33 0.00 0.00 177.39 176.84 3d8m n THR 30 N 0.44 0.00 -3.80 -5.08 -1.04 0.24 -5.06 114.28 99.98 3d8m n THR 30 Ca 0.11 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.11 3d8m n THR 30 Cb 0.34 -0.60 0.01 0.00 -1.82 0.00 0.00 70.33 68.27 3d8m n THR 30 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3d8m n SER 31 N -2.36 -1.13 -0.63 8.00 3.41 -0.23 -4.91 113.62 115.76 3d8m n SER 31 Ca 0.00 -1.53 0.01 0.00 -0.26 0.00 0.00 58.87 57.09 3d8m n SER 31 Cb 0.18 1.82 -0.00 0.00 -0.26 0.00 0.00 64.21 65.95 3d8m n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d8m n GLY 32 N -0.54 -1.42 7.00 5.00 0.00 -1.26 -3.73 105.19 110.24 3d8m n GLY 32 Ca -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3d8m n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d8m n GLY 33 N -0.18 -0.57 1.61 -0.02 0.00 -1.26 -3.87 105.19 100.90 3d8m n GLY 33 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 3d8m n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3d8m n ASN 34 N -3.04 3.99 -4.49 1.61 5.15 -1.26 -4.92 115.26 112.31 3d8m n ASN 34 Ca 0.00 -2.82 -0.34 0.00 -0.60 0.00 0.00 54.58 50.83 3d8m n ASN 34 Cb 0.00 -0.67 -0.12 0.00 -0.53 0.00 0.00 39.78 38.46 3d8m n ASN 34 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3d8m s VAL 35 N -2.24 3.77 0.10 3.44 1.01 -1.25 -5.09 120.40 120.13 3d8m s VAL 35 Ca 0.38 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3d8m s VAL 35 Cb 0.30 -2.63 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 3d8m s VAL 35 CO 0.10 0.51 0.95 -0.69 0.00 0.00 0.00 175.10 175.96 3d8m s VAL 36 N 0.26 4.55 0.29 2.92 1.01 -1.26 -4.76 120.40 123.41 3d8m s VAL 36 Ca -0.04 2.04 0.11 0.00 0.00 0.00 0.00 61.98 64.09 3d8m s VAL 36 Cb -0.14 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 3d8m s VAL 36 CO 0.03 0.31 -0.15 -1.00 0.00 0.00 0.00 175.10 174.29 3d8m s HIS 37 N 0.08 2.38 -2.00 5.22 3.76 -1.26 -5.01 115.29 118.46 3d8m s HIS 37 Ca 0.47 -0.33 0.16 0.00 -0.15 0.00 0.00 55.06 55.20 3d8m s HIS 37 Cb -0.23 -1.08 0.93 0.00 1.11 0.00 0.00 32.58 33.31 3d8m s HIS 37 CO 0.29 0.68 1.39 1.63 -0.85 0.00 0.00 174.74 177.88 3d8m n LYS 38 N -0.70 0.66 -3.76 1.40 5.02 -1.26 -4.76 118.16 114.76 3d8m n LYS 38 Ca -0.05 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 3d8m n LYS 38 Cb 0.60 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 34.19 3d8m n LYS 38 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3d8m s THR 39 N -2.00 0.07 0.00 -0.18 -4.23 -1.26 -5.16 115.64 102.88 3d8m s THR 39 Ca 0.23 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 3d8m s THR 39 Cb 0.11 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.51 3d8m s THR 39 CO 0.18 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 3d8m n GLY 40 N -0.23 0.22 3.68 3.99 0.00 -1.26 -4.91 105.19 106.68 3d8m n GLY 40 Ca -0.13 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 3d8m n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d8m s ASP 41 N -1.65 6.09 0.23 1.61 1.01 -1.26 -5.04 116.67 117.67 3d8m s ASP 41 Ca 0.00 0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.41 3d8m s ASP 41 Cb 0.00 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 3d8m s ASP 41 CO 0.00 0.11 0.09 -1.61 0.21 0.00 0.00 175.17 173.97 3d8m s GLU 42 N 0.76 1.32 0.09 8.23 2.02 -1.26 -5.12 118.70 124.74 3d8m s GLU 42 Ca 0.07 -1.70 0.09 0.00 0.02 0.00 0.00 54.97 53.45 3d8m s GLU 42 Cb -0.13 -0.15 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 3d8m s GLU 42 CO 0.02 -0.29 -0.22 0.99 0.02 0.00 0.00 175.26 175.77 3d8m s THR 43 N -3.83 2.53 -0.02 3.63 2.01 -1.26 -5.14 115.64 113.56 3d8m s THR 43 Ca 0.36 -1.47 0.01 0.00 0.31 0.00 0.00 61.69 60.90 3d8m s THR 43 Cb 0.07 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.50 3d8m s THR 43 CO 0.12 0.21 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.60 3d8m s ILE 44 N -0.99 0.32 0.04 1.82 1.01 -1.26 -5.04 121.20 117.10 3d8m s ILE 44 Ca 0.15 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.79 3d8m s ILE 44 Cb -0.10 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 3d8m s ILE 44 CO 0.06 0.13 -0.25 0.00 0.00 0.00 0.00 174.94 174.88 3d8m s ALA 45 N 0.40 2.11 0.00 9.38 0.00 -1.26 -5.09 121.76 127.29 3d8m s ALA 45 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3d8m s ALA 45 Cb -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3d8m s ALA 45 CO -0.01 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.66 3d8m n GLY 46 N 1.84 2.49 3.51 0.00 0.00 -1.26 -4.88 105.19 106.89 3d8m n GLY 46 Ca -0.17 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3d8m n GLY 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d8m n LYS 47 N 1.25 0.01 -1.87 1.61 3.00 -1.26 -4.93 118.16 115.98 3d8m n LYS 47 Ca 0.00 -1.08 -0.41 0.00 -0.00 0.00 0.00 58.31 56.82 3d8m n LYS 47 Cb 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 35.03 32.36 3d8m n LYS 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3d8m s LYS 48 N 7.16 4.17 -0.05 1.64 -0.14 -1.26 -5.03 119.74 126.23 3d8m s LYS 48 Ca 0.70 2.49 0.04 0.00 -1.36 0.00 0.00 55.97 57.83 3d8m s LYS 48 Cb 0.13 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3d8m s LYS 48 CO 0.33 -0.50 -0.15 0.99 -0.76 0.00 0.00 175.35 175.26 3d8m s THR 49 N -0.63 1.31 -0.31 2.17 2.01 -1.26 -5.11 115.64 113.82 3d8m s THR 49 Ca 0.56 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.96 3d8m s THR 49 Cb -0.45 -1.14 0.09 0.00 0.01 0.00 0.00 72.50 71.01 3d8m s THR 49 CO 0.54 0.38 0.03 -0.36 -0.69 0.00 0.00 174.62 174.53 3d8m s PHE 50 N 0.21 3.07 0.09 4.92 0.40 -1.26 -4.99 117.98 120.42 3d8m s PHE 50 Ca -0.07 -2.48 -0.13 0.00 -0.60 0.00 0.00 56.93 53.65 3d8m s PHE 50 Cb -0.12 -2.37 -0.18 0.00 0.51 0.00 0.00 43.02 40.85 3d8m s PHE 50 CO 0.03 -0.90 1.26 1.79 0.70 0.00 0.00 175.22 178.10 3d8m h THR 51 N 6.61 1.28 -2.98 0.64 1.35 -2.06 -3.46 112.91 114.28 3d8m h THR 51 Ca -0.10 -2.07 -0.25 0.00 -0.55 0.00 0.00 66.41 63.45 3d8m h THR 51 Cb 1.03 2.12 0.10 0.00 -1.73 0.00 0.00 68.15 69.67 3d8m h THR 51 CO 0.49 0.65 0.21 0.61 -0.25 0.00 0.00 175.52 177.23 3d8m n GLY 52 N 0.84 -1.59 3.78 5.82 0.00 -1.26 -5.04 105.19 107.74 3d8m n GLY 52 Ca -0.09 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 3d8m n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d8m s ASN 53 N -3.72 6.08 0.26 1.61 0.02 -1.26 -5.06 114.94 112.87 3d8m s ASN 53 Ca 0.43 2.17 0.07 0.00 -1.02 0.00 0.00 52.86 54.52 3d8m s ASN 53 Cb -0.02 -2.59 -0.05 0.00 0.02 0.00 0.00 41.25 38.61 3d8m s ASN 53 CO 0.31 -0.97 -0.09 -0.69 0.02 0.00 0.00 177.10 175.68 3d8m s VAL 54 N -1.71 1.71 -0.07 1.60 1.01 -1.26 -5.16 120.40 116.51 3d8m s VAL 54 Ca 0.67 -2.16 -0.07 0.00 0.00 0.00 0.00 61.98 60.42 3d8m s VAL 54 Cb -0.24 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3d8m s VAL 54 CO 0.29 -0.39 0.19 -0.70 0.00 0.00 0.00 175.10 174.49 3d8m s GLU 55 N -3.69 0.22 -0.11 2.72 2.12 -1.26 -5.14 118.70 113.55 3d8m s GLU 55 Ca 0.27 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.90 3d8m s GLU 55 Cb 0.02 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.51 3d8m s GLU 55 CO 0.11 -0.03 -0.23 0.08 -0.54 0.00 0.00 175.26 174.65 3d8m s VAL 56 N 0.12 2.15 -0.21 3.70 1.01 -1.26 -5.01 120.40 120.90 3d8m s VAL 56 Ca -0.00 -0.98 0.14 0.00 0.00 0.00 0.00 61.98 61.13 3d8m s VAL 56 Cb -0.02 -1.83 -0.22 0.00 0.00 0.00 0.00 36.38 34.31 3d8m s VAL 56 CO 0.00 0.55 -0.00 0.59 0.00 0.00 0.00 175.10 176.24 3d8m n ASN 57 N 3.64 0.62 -1.35 3.32 3.02 -1.26 -4.95 115.26 118.30 3d8m n ASN 57 Ca -0.19 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3d8m n ASN 57 Cb 0.53 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.34 3d8m n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d8m n GLY 58 N 1.91 1.00 3.74 7.41 0.00 -1.26 -5.03 105.19 112.96 3d8m n GLY 58 Ca -0.35 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 3d8m n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d8m s SER 59 N -1.00 6.46 -0.20 1.61 1.04 -1.26 -5.07 113.70 115.29 3d8m s SER 59 Ca 0.00 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.89 3d8m s SER 59 Cb 0.00 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 3d8m s SER 59 CO 0.00 0.12 0.09 -0.22 0.98 0.00 0.00 173.24 174.21 3d8m s LEU 60 N 0.34 3.91 -0.41 2.42 2.96 -1.26 -5.07 118.68 121.57 3d8m s LEU 60 Ca 0.17 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3d8m s LEU 60 Cb -0.13 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.67 3d8m s LEU 60 CO 0.05 0.15 0.19 -0.89 -1.32 0.00 0.00 176.35 174.52 3d8m s THR 61 N 0.53 3.06 0.44 3.68 2.01 -1.26 -5.08 115.64 119.00 3d8m s THR 61 Ca 0.05 -2.24 -0.11 0.00 0.31 0.00 0.00 61.69 59.69 3d8m s THR 61 Cb -0.12 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 3d8m s THR 61 CO 0.01 -0.69 0.82 -0.76 -0.69 0.00 0.00 174.62 173.31 3d8m s LEU 62 N 0.94 3.77 0.55 4.42 1.02 -1.26 -5.03 118.68 123.08 3d8m s LEU 62 Ca 0.10 1.22 -0.21 0.00 0.02 0.00 0.00 54.13 55.26 3d8m s LEU 62 Cb -0.22 -4.12 -0.05 0.00 0.02 0.00 0.00 46.19 41.83 3d8m s LEU 62 CO -0.05 -0.46 1.30 -2.16 0.02 0.00 0.00 176.35 175.00 3d8m s PRO 63 N -3.96 3.16 0.07 1.29 0.04 -1.26 -4.70 135.00 129.64 3d8m s PRO 63 Ca 0.53 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.73 3d8m s PRO 63 Cb -0.10 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 3d8m s PRO 63 CO 0.32 -1.13 -0.20 0.08 0.04 0.00 0.00 177.00 176.11 3d8m s VAL 64 N -1.39 1.66 -0.12 -0.36 1.01 -1.26 0.03 120.40 119.97 3d8m s VAL 64 Ca 0.72 -1.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 3d8m s VAL 64 Cb -0.37 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.57 3d8m s VAL 64 CO 0.43 0.07 0.31 -1.58 0.00 0.00 0.00 175.10 174.33 3d8m s GLN 65 N -1.52 0.34 0.08 2.72 0.74 -0.25 -5.00 119.66 116.78 3d8m s GLN 65 Ca 0.07 0.47 0.07 0.00 0.05 0.00 0.00 55.36 56.02 3d8m s GLN 65 Cb -0.09 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 3d8m s GLN 65 CO 0.03 -0.07 -0.18 0.95 -0.55 0.00 0.00 175.29 175.47 3d8m s THR 66 N 0.42 1.47 -0.06 -0.34 -4.23 -1.26 -0.19 115.64 111.46 3d8m s THR 66 Ca -0.02 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.05 3d8m s THR 66 Cb -0.04 -1.35 0.03 0.00 1.34 0.00 0.00 72.50 72.48 3d8m s THR 66 CO -0.02 -0.09 0.15 -0.22 -0.54 0.00 0.00 174.62 173.90 3d8m s LEU 67 N -1.73 1.10 -0.12 4.79 1.98 0.18 -4.99 118.68 119.89 3d8m s LEU 67 Ca 0.03 0.30 -0.03 0.00 -2.89 0.00 0.00 54.13 51.54 3d8m s LEU 67 Cb -0.10 0.43 -0.03 0.00 0.66 0.00 0.00 46.19 47.15 3d8m s LEU 67 CO 0.03 -0.10 -0.01 -0.89 -1.89 0.00 0.00 176.35 173.49 3d8m s THR 68 N 0.61 4.18 -0.07 3.68 2.01 -1.26 0.22 115.64 125.01 3d8m s THR 68 Ca -0.04 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3d8m s THR 68 Cb -0.06 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.68 3d8m s THR 68 CO -0.03 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.71 3d8m s VAL 69 N -0.37 0.76 -0.81 3.82 1.01 0.11 -5.01 120.40 119.91 3d8m s VAL 69 Ca 0.07 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3d8m s VAL 69 Cb -0.12 -0.78 0.12 0.00 0.00 0.00 0.00 36.38 35.60 3d8m s VAL 69 CO 0.02 0.29 0.99 -0.70 0.00 0.00 0.00 175.10 175.71 3d8m s GLU 70 N 1.23 3.41 0.14 2.72 2.56 -1.26 -0.28 118.70 127.22 3d8m s GLU 70 Ca -0.05 -1.56 0.15 0.00 0.00 0.00 0.00 54.97 53.50 3d8m s GLU 70 Cb -0.14 -4.63 0.68 0.00 2.00 0.00 0.00 34.13 32.05 3d8m s GLU 70 CO -0.02 -1.70 1.45 0.00 -0.56 0.00 0.00 175.26 174.43 3d8m n ALA 71 N 6.52 1.33 0.00 6.30 0.00 -0.16 -1.48 120.51 133.01 3d8m n ALA 71 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3d8m n ALA 71 Cb 0.47 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3d8m n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d8m n GLY 72 N -0.73 0.51 4.39 0.00 0.00 -1.25 0.14 105.19 108.25 3d8m n GLY 72 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3d8m n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d8m n ASN 73 N -0.22 0.00 0.00 1.61 3.02 -1.26 -0.57 115.26 117.84 3d8m n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3d8m n ASN 73 Cb 0.00 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 3d8m n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d8m n GLY 74 N -1.88 0.73 3.58 7.41 0.00 -1.25 -2.02 105.19 111.77 3d8m n GLY 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3d8m n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d8m s LEU 75 N 0.00 3.78 0.39 0.99 2.96 0.26 -0.86 118.68 126.21 3d8m s LEU 75 Ca 0.00 0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 54.12 3d8m s LEU 75 Cb 0.00 -3.39 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 3d8m s LEU 75 CO 0.00 -1.18 0.73 -1.58 -1.32 0.00 0.00 176.35 173.00 3d8m s GLN 76 N 4.19 3.74 -0.27 1.98 2.00 -0.92 -0.99 119.66 129.40 3d8m s GLN 76 Ca 0.43 0.38 -0.02 0.00 -2.00 0.00 0.00 55.36 54.16 3d8m s GLN 76 Cb -0.08 -2.43 0.16 0.00 0.80 0.00 0.00 33.01 31.45 3d8m s GLN 76 CO 0.29 -0.00 0.47 -1.17 -0.50 0.00 0.00 175.29 174.39 3d8m s LEU 77 N -3.83 -0.98 -0.35 3.68 2.96 0.61 -1.85 118.68 118.92 3d8m s LEU 77 Ca 0.50 0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 54.74 3d8m s LEU 77 Cb -0.10 1.57 0.00 0.00 0.50 0.00 0.00 46.19 48.16 3d8m s LEU 77 CO 0.32 -0.29 0.21 -1.10 -1.32 0.00 0.00 176.35 174.17 3d8m s GLN 78 N 2.68 3.17 -0.14 1.98 -0.21 -0.49 0.05 119.66 126.70 3d8m s GLN 78 Ca 0.16 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.61 3d8m s GLN 78 Cb -0.15 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 3d8m s GLN 78 CO -0.19 -0.56 0.13 -0.51 -2.12 0.00 0.00 175.29 172.04 3d8m s LEU 79 N 1.64 4.28 -0.22 2.90 1.43 0.13 -0.98 118.68 127.86 3d8m s LEU 79 Ca 0.04 0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 53.51 3d8m s LEU 79 Cb -0.18 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.05 3d8m s LEU 79 CO 0.08 0.35 0.02 -0.89 0.23 0.00 0.00 176.35 176.14 3d8m s THR 80 N -0.69 0.84 -0.01 5.49 2.01 -0.49 0.51 115.64 123.31 3d8m s THR 80 Ca 0.13 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3d8m s THR 80 Cb -0.12 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3d8m s THR 80 CO 0.03 -0.23 0.05 -1.59 -0.69 0.00 0.00 174.62 172.18 3d8m s LYS 81 N 1.70 2.97 -0.08 4.92 -2.85 0.74 -1.40 119.74 125.73 3d8m s LYS 81 Ca -0.01 -0.52 0.02 0.00 -1.00 0.00 0.00 55.97 54.46 3d8m s LYS 81 Cb -0.18 -2.79 0.02 0.00 -2.06 0.00 0.00 37.83 32.81 3d8m s LYS 81 CO -0.09 0.64 -0.12 0.15 0.10 0.00 0.00 175.35 176.03 3d8m s LYS 82 N -1.62 1.77 -1.38 1.78 1.02 -0.92 -1.09 119.74 119.31 3d8m s LYS 82 Ca 0.21 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 3d8m s LYS 82 Cb -0.12 -1.54 0.02 0.00 -0.52 0.00 0.00 37.83 35.68 3d8m s LYS 82 CO 0.12 -0.05 0.73 -1.71 -0.92 0.00 0.00 175.35 173.52 3d8m n ASN 83 N 4.10 -1.89 0.00 2.83 4.05 0.10 -2.46 115.26 122.00 3d8m n ASN 83 Ca -0.20 -0.84 0.00 0.00 0.45 0.00 0.00 54.58 53.99 3d8m n ASN 83 Cb 0.51 -3.86 0.00 0.00 1.23 0.00 0.00 39.78 37.66 3d8m n ASN 83 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3d8m n ASN 84 N -2.99 0.00 -0.06 1.20 4.05 -1.26 -4.62 115.26 111.57 3d8m n ASN 84 Ca -0.22 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.70 3d8m n ASN 84 Cb 0.64 -1.34 -0.05 0.00 1.23 0.00 0.00 39.78 40.27 3d8m n ASN 84 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3d8m n ASP 85 N 0.00 1.88 -4.41 1.20 2.03 -1.03 -4.51 116.55 111.71 3d8m n ASP 85 Ca 0.00 0.06 -0.33 0.00 0.52 0.00 0.00 54.79 55.03 3d8m n ASP 85 Cb 0.00 -0.29 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 3d8m n ASP 85 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3d8m s LEU 86 N -6.24 2.89 -0.08 -2.67 0.20 -1.24 0.49 118.68 112.02 3d8m s LEU 86 Ca -0.17 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.43 3d8m s LEU 86 Cb 0.06 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 44.14 3d8m s LEU 86 CO 0.25 0.16 -0.24 0.54 -0.29 0.00 0.00 176.35 176.77 3d8m s VAL 87 N 0.38 2.13 -0.16 1.68 0.11 -0.66 -2.17 120.40 121.71 3d8m s VAL 87 Ca -0.08 -1.02 -0.12 0.00 -2.93 0.00 0.00 61.98 57.83 3d8m s VAL 87 Cb -0.15 -1.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.85 3d8m s VAL 87 CO 0.05 0.56 0.24 -0.51 -3.33 0.00 0.00 175.10 172.11 3d8m s ILE 88 N 0.11 5.34 -0.14 7.04 1.10 -0.50 -2.12 121.20 132.03 3d8m s ILE 88 Ca -0.12 0.44 -0.04 0.00 -0.51 0.00 0.00 60.65 60.43 3d8m s ILE 88 Cb -0.16 -3.57 -0.03 0.00 0.15 0.00 0.00 42.46 38.85 3d8m s ILE 88 CO 0.06 0.43 -0.02 -0.69 -2.11 0.00 0.00 174.94 172.62 3d8m s VAL 89 N 0.22 4.07 -0.18 4.00 1.01 0.17 -1.39 120.40 128.30 3d8m s VAL 89 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3d8m s VAL 89 Cb -0.13 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3d8m s VAL 89 CO 0.03 0.52 -0.16 -0.13 0.00 0.00 0.00 175.10 175.36 3d8m s ARG 90 N 0.06 3.14 0.02 2.72 0.52 -0.15 -0.25 118.95 125.01 3d8m s ARG 90 Ca 0.01 -0.77 -0.20 0.00 -0.52 0.00 0.00 55.73 54.26 3d8m s ARG 90 Cb -0.13 -2.66 -0.06 0.00 0.52 0.00 0.00 34.95 32.62 3d8m s ARG 90 CO 0.02 -0.13 0.57 -0.06 0.02 0.00 0.00 175.30 175.72 3d8m s PHE 91 N 1.16 3.72 0.00 -0.53 0.40 -0.80 -1.40 117.98 120.54 3d8m s PHE 91 Ca 0.01 1.20 0.00 0.00 -0.60 0.00 0.00 56.93 57.54 3d8m s PHE 91 Cb -0.14 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.84 3d8m s PHE 91 CO -0.06 0.45 0.00 1.19 0.70 0.00 0.00 175.22 177.50 3d8m n PHE 92 N 2.34 -0.07 -4.42 0.36 3.72 -0.77 -3.99 117.46 114.62 3d8m n PHE 92 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3d8m n PHE 92 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3d8m n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d8m n GLY 93 N 0.00 0.91 3.05 1.37 0.00 -1.26 -2.15 105.19 107.10 3d8m n GLY 93 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 3d8m n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d8m s SER 94 N -4.00 -0.12 0.11 1.61 0.01 -0.04 -0.54 113.70 110.73 3d8m s SER 94 Ca 0.00 0.55 -0.15 0.00 1.31 0.00 0.00 55.95 57.66 3d8m s SER 94 Cb 0.00 0.48 -0.07 0.00 0.21 0.00 0.00 66.02 66.64 3d8m s SER 94 CO 0.00 -0.18 0.52 -0.69 0.41 0.00 0.00 173.24 173.29 3d8m s VAL 95 N 1.53 4.89 -0.10 3.43 1.01 -0.76 -3.81 120.40 126.59 3d8m s VAL 95 Ca -0.07 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 62.56 3d8m s VAL 95 Cb -0.11 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.57 3d8m s VAL 95 CO -0.09 0.35 0.49 -0.94 0.00 0.00 0.00 175.10 174.91 3d8m s SER 96 N -1.53 -0.46 -0.43 3.32 1.04 -0.85 -2.16 113.70 112.62 3d8m s SER 96 Ca 0.34 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 57.43 3d8m s SER 96 Cb -0.16 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3d8m s SER 96 CO 0.18 -0.37 0.36 0.59 0.98 0.00 0.00 173.24 174.99 3d8m n ASN 97 N 1.87 -2.71 -3.91 7.02 3.02 -0.76 -4.73 115.26 115.06 3d8m n ASN 97 Ca -0.17 -0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 54.02 3d8m n ASN 97 Cb 0.56 -2.25 -0.13 0.00 -0.61 0.00 0.00 39.78 37.36 3d8m n ASN 97 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3d8m s ILE 98 N -3.14 0.04 0.42 2.41 1.09 -0.86 -4.98 121.20 116.17 3d8m s ILE 98 Ca 0.07 -0.32 -0.07 0.00 -1.10 0.00 0.00 60.65 59.23 3d8m s ILE 98 Cb -0.01 -0.10 -0.05 0.00 -1.06 0.00 0.00 42.46 41.24 3d8m s ILE 98 CO 0.28 -0.18 0.74 -1.10 -0.10 0.00 0.00 174.94 174.58 3d8m s GLN 99 N -0.51 3.65 0.63 2.79 -1.52 -1.26 -0.06 119.66 123.38 3d8m s GLN 99 Ca -0.06 0.27 0.14 0.00 -1.95 0.00 0.00 55.36 53.76 3d8m s GLN 99 Cb -0.04 -2.43 0.52 0.00 -0.22 0.00 0.00 33.01 30.85 3d8m s GLN 99 CO -0.00 -0.06 1.20 1.57 -0.25 0.00 0.00 175.29 177.74 3d8m h LYS 100 N 0.89 0.00 0.00 2.91 2.10 -1.79 -1.95 116.57 118.72 3d8m h LYS 100 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3d8m h LYS 100 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3d8m h LYS 100 CO 0.63 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.49 3d8m n GLY 101 N -1.60 -0.54 3.77 0.07 0.00 -1.26 -4.20 105.19 101.44 3d8m n GLY 101 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3d8m n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d8m s TRP 102 N -0.05 2.64 -0.17 1.61 0.51 -0.74 -4.57 118.94 118.18 3d8m s TRP 102 Ca 0.00 1.55 -0.24 0.00 -2.12 0.00 0.00 56.10 55.29 3d8m s TRP 102 Cb 0.00 -3.23 -0.02 0.00 -0.81 0.00 0.00 33.47 29.41 3d8m s TRP 102 CO 0.00 -1.64 0.76 1.21 -0.51 0.00 0.00 176.95 176.77 3d8m s ASN 103 N -2.18 6.88 0.66 2.95 3.84 -1.26 0.13 114.94 125.97 3d8m s ASN 103 Ca 0.70 1.07 -0.17 0.00 0.21 0.00 0.00 52.86 54.67 3d8m s ASN 103 Cb -0.22 -2.42 -0.08 0.00 -0.55 0.00 0.00 41.25 37.98 3d8m s ASN 103 CO 0.34 -0.34 0.34 0.80 -2.79 0.00 0.00 177.10 175.45 3d8m n MET 104 N 5.06 0.29 0.01 0.43 1.56 0.73 -4.88 117.12 120.32 3d8m n MET 104 Ca 0.02 0.13 0.11 0.00 -0.27 0.00 0.00 57.70 57.69 3d8m n MET 104 Cb 0.49 -1.61 -0.02 0.00 2.15 0.00 0.00 33.22 34.23 3d8m n MET 104 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3d8m n SER 105 N 0.61 0.70 -4.85 6.12 3.41 -1.23 -4.76 113.62 113.61 3d8m n SER 105 Ca 0.09 -0.54 -0.24 0.00 -0.26 0.00 0.00 58.87 57.93 3d8m n SER 105 Cb 0.49 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 65.32 3d8m n SER 105 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3d8m s GLY 106 N -3.35 2.29 0.00 5.00 0.00 0.37 -4.84 107.32 106.79 3d8m s GLY 106 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.08 3d8m s GLY 106 CO 0.82 -1.85 0.00 2.41 0.00 0.00 0.00 173.10 174.48 3d8m n THR 107 N -1.54 0.00 -1.87 0.90 -1.04 -0.55 -4.36 114.28 105.81 3d8m n THR 107 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3d8m n THR 107 Cb 0.64 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.17 3d8m n THR 107 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3d8m s TRP 108 N 0.00 3.52 0.09 -1.42 0.52 -1.26 -4.25 118.94 116.14 3d8m s TRP 108 Ca 0.00 1.21 -0.31 0.00 0.02 0.00 0.00 56.10 57.02 3d8m s TRP 108 Cb 0.00 -2.84 -0.06 0.00 -1.15 0.00 0.00 33.47 29.41 3d8m s TRP 108 CO 0.00 -0.86 1.21 0.08 0.02 0.00 0.00 176.95 177.40 3d8m s VAL 109 N -3.24 3.88 0.63 4.03 1.01 0.31 -4.98 120.40 122.04 3d8m s VAL 109 Ca 0.56 1.40 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 3d8m s VAL 109 Cb -0.11 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3d8m s VAL 109 CO 0.53 0.13 1.16 -1.81 0.00 0.00 0.00 175.10 175.12 3d8m s ASP 110 N 0.86 5.09 0.26 3.32 1.11 -1.26 -4.64 116.67 121.41 3d8m s ASP 110 Ca 0.58 2.23 -0.11 0.00 0.18 0.00 0.00 52.55 55.42 3d8m s ASP 110 Cb -0.31 -2.58 0.38 0.00 1.07 0.00 0.00 42.92 41.48 3d8m s ASP 110 CO 0.31 -1.65 1.56 0.03 1.18 0.00 0.00 175.17 176.60 3d8m h ARG 111 N 0.48 -0.00 0.00 8.23 3.08 -1.94 0.15 114.38 124.38 3d8m h ARG 111 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3d8m h ARG 111 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3d8m h ARG 111 CO 0.54 -0.00 0.11 -1.35 -1.07 0.00 0.00 179.97 178.20 3d8m h PRO 112 N -0.01 0.00 -0.13 0.04 0.11 -2.02 -2.32 132.00 127.68 3d8m h PRO 112 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3d8m h PRO 112 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3d8m h PRO 112 CO -0.99 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 177.99 3d8m n PHE 113 N -2.99 0.18 -3.21 0.65 3.72 0.02 -5.02 117.46 110.81 3d8m n PHE 113 Ca -0.03 -0.51 -0.39 0.00 -0.05 0.00 0.00 57.45 56.48 3d8m n PHE 113 Cb 0.17 -0.04 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 3d8m n PHE 113 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3d8m s ARG 114 N -1.02 4.37 0.82 -1.08 0.52 -0.87 -4.91 118.95 116.76 3d8m s ARG 114 Ca 0.09 0.61 -0.11 0.00 -0.52 0.00 0.00 55.73 55.80 3d8m s ARG 114 Cb 0.05 -3.45 0.09 0.00 0.52 0.00 0.00 34.95 32.16 3d8m s ARG 114 CO 0.06 0.10 1.13 -1.25 0.02 0.00 0.00 175.30 175.36 3d8m s PRO 115 N 0.77 1.79 -0.10 3.54 0.04 -1.26 -4.94 135.00 134.84 3d8m s PRO 115 Ca 0.30 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 3d8m s PRO 115 Cb -0.16 -1.83 -0.20 0.00 0.04 0.00 0.00 34.50 32.35 3d8m s PRO 115 CO 0.13 -2.03 0.79 0.00 0.04 0.00 0.00 177.00 175.93 3d8m h ALA 116 N -1.25 -0.05 -3.00 8.56 0.00 -1.70 -3.34 119.26 118.48 3d8m h ALA 116 Ca -0.44 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 53.52 3d8m h ALA 116 Cb 1.25 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 3d8m h ALA 116 CO 0.47 -0.11 -0.65 0.00 0.00 0.00 0.00 179.25 178.97 3d8m s ALA 117 N -2.93 3.29 0.40 0.00 0.00 -1.26 -4.49 121.76 116.77 3d8m s ALA 117 Ca -0.15 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.29 3d8m s ALA 117 Cb -0.01 -1.11 -0.11 0.00 0.00 0.00 0.00 23.12 21.89 3d8m s ALA 117 CO 0.56 0.56 1.15 1.55 0.00 0.00 0.00 175.76 179.57 3d8m n VAL 118 N 0.07 2.41 -3.79 0.00 3.14 -1.26 -4.72 118.33 114.18 3d8m n VAL 118 Ca -0.10 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.54 3d8m n VAL 118 Cb 0.54 -1.35 -0.17 0.00 -1.06 0.00 0.00 33.84 31.80 3d8m n VAL 118 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3d8m s GLN 119 N -2.04 0.74 -0.14 1.45 1.11 0.90 -5.00 119.66 116.68 3d8m s GLN 119 Ca 0.61 -0.00 -0.19 0.00 0.01 0.00 0.00 55.36 55.79 3d8m s GLN 119 Cb -0.55 -1.19 -0.04 0.00 -1.01 0.00 0.00 33.01 30.23 3d8m s GLN 119 CO 0.58 -0.34 0.53 -1.54 0.01 0.00 0.00 175.29 174.54 3d8m s SER 120 N 1.92 6.69 0.06 5.90 1.04 -1.26 -2.05 113.70 126.01 3d8m s SER 120 Ca 0.04 0.82 0.07 0.00 0.48 0.00 0.00 55.95 57.37 3d8m s SER 120 Cb -0.13 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 3d8m s SER 120 CO -0.06 -0.10 -0.16 -0.76 0.98 0.00 0.00 173.24 173.14 3d8m s LEU 121 N 1.08 2.74 -0.28 2.42 1.43 -0.68 -4.95 118.68 120.44 3d8m s LEU 121 Ca 0.27 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3d8m s LEU 121 Cb -0.16 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3d8m s LEU 121 CO 0.11 0.23 0.09 -0.69 0.23 0.00 0.00 176.35 176.32 3d8m s VAL 122 N -1.02 4.20 0.57 -1.59 1.01 -1.26 -1.76 120.40 120.55 3d8m s VAL 122 Ca 0.17 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.81 3d8m s VAL 122 Cb -0.11 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 33.28 3d8m s VAL 122 CO 0.08 0.19 0.79 -0.83 0.00 0.00 0.00 175.10 175.33 3d8m s GLY 123 N 1.57 1.74 0.01 4.51 0.00 0.28 -4.61 107.32 110.83 3d8m s GLY 123 Ca 0.05 -2.10 -0.02 0.00 0.00 0.00 0.00 44.72 42.65 3d8m s GLY 123 CO 0.03 -1.65 0.01 -1.58 0.00 0.00 0.00 173.10 169.92 3d8m s HIS 124 N -2.67 0.19 -0.13 1.90 2.46 0.48 -2.88 115.29 114.63 3d8m s HIS 124 Ca 0.62 -0.40 -0.21 0.00 0.47 0.00 0.00 55.06 55.53 3d8m s HIS 124 Cb -0.06 -0.15 -0.03 0.00 -0.13 0.00 0.00 32.58 32.21 3d8m s HIS 124 CO 0.39 -0.20 0.63 -0.06 -2.47 0.00 0.00 174.74 173.03 3d8m s PHE 125 N -1.36 3.48 0.07 3.88 0.08 -1.10 -1.64 117.98 121.39 3d8m s PHE 125 Ca -0.15 1.05 -0.31 0.00 0.12 0.00 0.00 56.93 57.64 3d8m s PHE 125 Cb -0.09 -2.76 -0.08 0.00 -0.57 0.00 0.00 43.02 39.53 3d8m s PHE 125 CO -0.00 -0.01 1.56 0.00 -0.10 0.00 0.00 175.22 176.66 3d8m s ALA 126 N 1.26 3.66 -0.72 5.36 0.00 -0.49 -2.32 121.76 128.50 3d8m s ALA 126 Ca 0.32 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.39 3d8m s ALA 126 Cb -0.16 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3d8m s ALA 126 CO 0.13 -0.97 0.41 0.41 0.00 0.00 0.00 175.76 175.74 3d8m n GLY 127 N 3.83 0.14 3.73 0.00 0.00 -1.26 -4.78 105.19 106.86 3d8m n GLY 127 Ca 0.15 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3d8m n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d8m s ARG 128 N -5.32 1.71 0.00 1.61 0.52 -0.98 -5.04 118.95 111.45 3d8m s ARG 128 Ca 0.21 -1.14 0.20 0.00 -0.52 0.00 0.00 55.73 54.48 3d8m s ARG 128 Cb -0.09 0.55 -0.22 0.00 0.52 0.00 0.00 34.95 35.71 3d8m s ARG 128 CO 0.25 -0.75 0.58 -0.25 0.02 0.00 0.00 175.30 175.15 3d8m n ASP 129 N -0.49 0.33 -4.73 0.23 8.00 -1.26 -4.73 116.55 113.90 3d8m n ASP 129 Ca -0.03 0.14 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 3d8m n ASP 129 Cb 0.60 1.16 0.04 0.00 -0.02 0.00 0.00 41.12 42.91 3d8m n ASP 129 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3d8m n THR 130 N -2.55 3.77 -4.39 -3.53 -2.24 -1.26 -4.93 114.28 99.14 3d8m n THR 130 Ca -0.10 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 3d8m n THR 130 Cb 0.72 -1.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 3d8m n THR 130 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3d8m s SER 131 N -0.93 1.86 0.19 3.42 0.15 -1.26 -2.70 113.70 114.43 3d8m s SER 131 Ca 0.72 -1.45 -0.18 0.00 0.70 0.00 0.00 55.95 55.73 3d8m s SER 131 Cb -0.42 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.08 3d8m s SER 131 CO 0.49 -0.74 0.54 0.72 1.20 0.00 0.00 173.24 175.45 3d8m s PHE 132 N -3.51 -0.18 0.06 3.44 -0.12 -1.14 -4.72 117.98 111.82 3d8m s PHE 132 Ca 0.35 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.08 3d8m s PHE 132 Cb 0.07 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 3d8m s PHE 132 CO 0.15 -0.92 -0.04 -3.38 -0.05 0.00 0.00 175.22 170.97 3d8m s HIS 133 N -3.86 0.64 0.07 3.49 -3.43 -1.26 -0.55 115.29 110.39 3d8m s HIS 133 Ca 0.08 -0.96 0.05 0.00 -0.80 0.00 0.00 55.06 53.44 3d8m s HIS 133 Cb -0.01 -0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 30.69 3d8m s HIS 133 CO -0.04 -0.27 -0.15 0.96 -2.00 0.00 0.00 174.74 173.24 3d8m s ILE 134 N -3.55 1.17 -0.37 -5.38 -5.25 -0.72 -1.52 121.20 105.57 3d8m s ILE 134 Ca 0.06 -1.33 -0.12 0.00 -0.99 0.00 0.00 60.65 58.28 3d8m s ILE 134 Cb 0.05 -1.11 0.02 0.00 2.95 0.00 0.00 42.46 44.36 3d8m s ILE 134 CO -0.07 -0.21 0.23 -1.81 -1.79 0.00 0.00 174.94 171.29 3d8m s ASP 135 N -1.75 5.83 -0.07 4.36 1.01 0.67 -1.69 116.67 125.02 3d8m s ASP 135 Ca -0.01 -0.86 -0.29 0.00 0.71 0.00 0.00 52.55 52.09 3d8m s ASP 135 Cb -0.10 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 3d8m s ASP 135 CO 0.02 -0.36 0.97 -0.63 0.21 0.00 0.00 175.17 175.38 3d8m s ILE 136 N 1.61 4.83 0.29 0.77 1.01 -0.87 -1.09 121.20 127.76 3d8m s ILE 136 Ca 0.03 2.00 0.09 0.00 0.00 0.00 0.00 60.65 62.78 3d8m s ILE 136 Cb -0.19 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.93 3d8m s ILE 136 CO 0.08 0.07 -0.12 0.54 0.00 0.00 0.00 174.94 175.51 3d8m s ASN 137 N 1.05 3.32 0.23 3.58 6.03 -1.10 -0.07 114.94 127.98 3d8m s ASN 137 Ca 0.49 -1.13 -0.06 0.00 -1.03 0.00 0.00 52.86 51.13 3d8m s ASN 137 Cb -0.19 -0.27 0.41 0.00 -3.03 0.00 0.00 41.25 38.17 3d8m s ASN 137 CO 0.21 -0.17 1.73 1.55 -2.03 0.00 0.00 177.10 178.39 3d8m h PRO 138 N 2.21 0.40 0.00 3.55 0.13 -1.79 0.39 132.00 136.90 3d8m h PRO 138 Ca -0.40 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3d8m h PRO 138 Cb 1.25 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3d8m h PRO 138 CO 0.66 0.27 -0.01 -2.95 -0.23 0.00 0.00 178.00 175.73 3d8m h ASN 139 N 0.42 0.00 0.00 1.44 -1.07 -1.93 -3.41 115.58 111.02 3d8m h ASN 139 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.75 3d8m h ASN 139 Cb 0.56 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.81 3d8m h ASN 139 CO -0.39 0.01 0.00 0.61 0.07 0.00 0.00 177.43 177.73 3d8m n GLY 140 N -1.14 0.89 3.84 9.14 0.00 0.14 -4.88 105.19 113.16 3d8m n GLY 140 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3d8m n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d8m s SER 141 N -1.96 5.80 -0.33 1.61 1.04 -1.26 -0.53 113.70 118.06 3d8m s SER 141 Ca 0.00 1.56 0.02 0.00 0.48 0.00 0.00 55.95 58.02 3d8m s SER 141 Cb 0.00 -2.49 0.10 0.00 0.10 0.00 0.00 66.02 63.73 3d8m s SER 141 CO 0.00 -1.16 0.08 -0.63 0.98 0.00 0.00 173.24 172.51 3d8m s ILE 142 N -3.01 1.72 0.29 -1.02 1.01 -1.26 -2.73 121.20 116.20 3d8m s ILE 142 Ca 0.58 -1.99 -0.26 0.00 0.00 0.00 0.00 60.65 58.98 3d8m s ILE 142 Cb -0.13 -2.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 3d8m s ILE 142 CO 0.51 -0.64 0.90 0.42 0.00 0.00 0.00 174.94 176.13 3d8m s THR 143 N 1.15 4.26 -0.03 2.92 -4.23 -0.25 -0.19 115.64 119.27 3d8m s THR 143 Ca 0.11 1.77 -0.15 0.00 -1.18 0.00 0.00 61.69 62.24 3d8m s THR 143 Cb -0.18 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.57 3d8m s THR 143 CO -0.15 0.22 0.41 0.86 -0.54 0.00 0.00 174.62 175.42 3d8m s TRP 144 N -1.52 3.67 -0.30 3.99 -0.11 0.35 -0.24 118.94 124.79 3d8m s TRP 144 Ca 0.47 0.94 0.18 0.00 1.22 0.00 0.00 56.10 58.92 3d8m s TRP 144 Cb -0.20 -2.33 0.48 0.00 -1.50 0.00 0.00 33.47 29.92 3d8m s TRP 144 CO 0.25 0.54 1.05 0.91 -4.62 0.00 0.00 176.95 175.08 3d8m n TRP 145 N 2.24 1.52 -3.57 5.86 7.02 -0.57 -3.63 117.44 126.31 3d8m n TRP 145 Ca -0.13 -2.48 -0.17 0.00 -1.02 0.00 0.00 57.50 53.70 3d8m n TRP 145 Cb 0.52 -0.29 0.01 0.00 -2.42 0.00 0.00 31.31 29.14 3d8m n TRP 145 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3d8m n GLY 146 N -0.39 2.59 3.73 6.99 0.00 -1.25 -4.05 105.19 112.81 3d8m n GLY 146 Ca 0.14 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 3d8m n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8m s ALA 147 N -2.54 1.81 -0.15 4.61 0.00 -1.26 -3.93 121.76 120.28 3d8m s ALA 147 Ca 0.28 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 3d8m s ALA 147 Cb -0.02 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3d8m s ALA 147 CO 0.18 -2.16 1.85 -0.80 0.00 0.00 0.00 175.76 174.83 3d8m s ASN 148 N -3.34 6.17 -0.15 0.00 0.01 -1.26 -4.51 114.94 111.86 3d8m s ASN 148 Ca 0.63 1.95 -0.15 0.00 -0.71 0.00 0.00 52.86 54.58 3d8m s ASN 148 Cb -0.18 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 3d8m s ASN 148 CO 0.57 -1.38 0.34 -0.63 -1.51 0.00 0.00 177.10 174.49 3d8m s ILE 149 N 5.79 5.27 0.84 0.60 -1.09 0.91 -4.95 121.20 128.57 3d8m s ILE 149 Ca 0.83 0.66 -0.12 0.00 -2.23 0.00 0.00 60.65 59.78 3d8m s ILE 149 Cb -0.31 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 36.98 3d8m s ILE 149 CO 0.34 0.37 1.14 -0.62 -1.23 0.00 0.00 174.94 174.94 3d8m s ASP 150 N 0.49 4.15 0.34 3.58 2.15 -1.26 -1.82 116.67 124.29 3d8m s ASP 150 Ca 0.19 0.97 0.13 0.00 0.43 0.00 0.00 52.55 54.27 3d8m s ASP 150 Cb -0.14 -1.56 1.01 0.00 -0.30 0.00 0.00 42.92 41.94 3d8m s ASP 150 CO 0.06 -2.15 1.71 0.07 -0.17 0.00 0.00 175.17 174.68 3d8m h LYS 151 N -1.22 0.44 -6.25 4.34 2.10 -1.97 -2.98 116.57 111.04 3d8m h LYS 151 Ca -0.48 -0.03 -0.57 0.00 -2.00 0.00 0.00 60.65 57.57 3d8m h LYS 151 Cb 1.32 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.52 3d8m h LYS 151 CO 0.63 0.29 1.28 -0.08 -2.00 0.00 0.00 179.45 179.57 3d8m s THR 152 N -5.68 3.47 0.63 0.07 -1.32 -1.26 -4.71 115.64 106.84 3d8m s THR 152 Ca -0.10 0.46 -0.15 0.00 -1.21 0.00 0.00 61.69 60.69 3d8m s THR 152 Cb 0.28 -3.67 -0.02 0.00 -1.51 0.00 0.00 72.50 67.59 3d8m s THR 152 CO 0.80 -0.45 1.08 -2.16 -2.21 0.00 0.00 174.62 171.68 3d8m s PRO 153 N 5.77 3.04 -0.03 7.08 0.04 -1.26 -4.92 135.00 144.71 3d8m s PRO 153 Ca 0.79 1.29 0.04 0.00 0.04 0.00 0.00 61.00 63.16 3d8m s PRO 153 Cb -0.22 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 3d8m s PRO 153 CO 0.33 -1.04 -0.15 0.42 0.04 0.00 0.00 177.00 176.60 3d8m s ILE 154 N -2.41 1.21 0.23 0.56 1.09 -0.92 -4.96 121.20 115.99 3d8m s ILE 154 Ca 0.65 -0.60 -0.30 0.00 -1.10 0.00 0.00 60.65 59.30 3d8m s ILE 154 Cb -0.18 -1.04 -0.09 0.00 -1.06 0.00 0.00 42.46 40.09 3d8m s ILE 154 CO 0.40 0.35 1.25 0.00 -0.10 0.00 0.00 174.94 176.84 3d8m s ALA 155 N 0.02 3.48 -0.24 9.38 0.00 -1.26 -1.82 121.76 131.32 3d8m s ALA 155 Ca -0.02 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.02 3d8m s ALA 155 Cb -0.10 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.64 3d8m s ALA 155 CO 0.01 -0.46 -0.08 0.95 0.00 0.00 0.00 175.76 176.18 3d8m s THR 156 N -0.33 1.75 0.46 0.00 -4.23 0.30 -1.40 115.64 112.19 3d8m s THR 156 Ca 0.53 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 3d8m s THR 156 Cb -0.35 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 3d8m s THR 156 CO 0.41 -0.03 0.03 -0.13 -0.54 0.00 0.00 174.62 174.36 3d8m s ARG 157 N 1.30 2.09 0.00 3.99 1.81 -0.65 -2.47 118.95 125.01 3d8m s ARG 157 Ca -0.06 -2.21 0.00 0.00 -1.72 0.00 0.00 55.73 51.74 3d8m s ARG 157 Cb -0.19 -1.64 0.00 0.00 -0.45 0.00 0.00 34.95 32.67 3d8m s ARG 157 CO -0.06 -0.20 0.00 0.41 -0.68 0.00 0.00 175.30 174.77 3d8m n GLY 158 N -1.14 3.80 3.64 -3.53 0.00 -1.26 -0.39 105.19 106.32 3d8m n GLY 158 Ca -0.10 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3d8m n GLY 158 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d8m s ASN 159 N 0.00 5.50 0.34 1.61 -0.87 -1.26 -1.90 114.94 118.37 3d8m s ASN 159 Ca 0.00 0.10 0.08 0.00 -1.57 0.00 0.00 52.86 51.47 3d8m s ASN 159 Cb 0.00 -1.86 -0.05 0.00 -0.02 0.00 0.00 41.25 39.33 3d8m s ASN 159 CO 0.00 0.23 0.10 -0.83 -2.57 0.00 0.00 177.10 174.03 3d8m s GLY 160 N 0.01 1.99 -0.14 0.66 0.00 0.66 -4.81 107.32 105.69 3d8m s GLY 160 Ca 0.05 -1.88 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 3d8m s GLY 160 CO 0.01 -1.81 0.35 -1.35 0.00 0.00 0.00 173.10 170.30 3d8m s SER 161 N -3.80 -0.41 -0.03 1.64 1.04 -1.26 0.42 113.70 111.30 3d8m s SER 161 Ca 0.37 0.75 -0.08 0.00 0.48 0.00 0.00 55.95 57.46 3d8m s SER 161 Cb -0.02 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.76 3d8m s SER 161 CO 0.22 -0.17 0.18 -0.72 0.98 0.00 0.00 173.24 173.72 3d8m s TYR 162 N 1.19 -0.08 0.01 5.02 -0.85 -0.90 -5.00 117.35 116.74 3d8m s TYR 162 Ca -0.08 0.16 -0.30 0.00 -0.52 0.00 0.00 57.07 56.32 3d8m s TYR 162 Cb -0.08 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 3d8m s TYR 162 CO -0.10 -0.24 1.06 -0.06 -1.52 0.00 0.00 175.55 174.70 3d8m s PHE 163 N -0.84 3.56 0.15 -3.49 0.08 -1.26 -1.65 117.98 114.53 3d8m s PHE 163 Ca -0.09 1.54 -0.09 0.00 0.12 0.00 0.00 56.93 58.41 3d8m s PHE 163 Cb -0.05 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.14 3d8m s PHE 163 CO 0.01 -0.50 1.44 0.97 -0.10 0.00 0.00 175.22 177.04 3d8m h ILE 164 N 4.72 1.29 -0.02 0.64 6.09 1.10 -3.43 117.51 127.90 3d8m h ILE 164 Ca -0.41 -1.76 0.00 0.00 -1.37 0.00 0.00 64.86 61.33 3d8m h ILE 164 Cb 1.21 1.68 0.00 0.00 0.47 0.00 0.00 36.82 40.18 3d8m h ILE 164 CO 0.78 0.56 0.00 2.29 -3.07 0.00 0.00 178.15 178.72