#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poz s GLN 21 N 0.00 0.52 -0.06 0.00 -2.07 -1.26 -3.35 119.66 113.44 1poz s GLN 21 Ca 0.00 0.79 0.03 0.00 -1.82 0.00 0.00 55.36 54.36 1poz s GLN 21 Cb 0.00 0.15 0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1poz s GLN 21 CO 0.00 -0.11 -0.15 0.42 -1.32 0.00 0.00 175.29 174.13 1poz s ILE 22 N 0.86 1.31 -0.23 3.63 1.09 -0.61 -4.75 121.20 122.50 1poz s ILE 22 Ca -0.05 -0.61 -0.18 0.00 -1.10 0.00 0.00 60.65 58.71 1poz s ILE 22 Cb -0.05 -1.16 -0.03 0.00 -1.06 0.00 0.00 42.46 40.16 1poz s ILE 22 CO -0.07 0.39 0.52 -1.81 -0.10 0.00 0.00 174.94 173.87 1poz s ASP 23 N 0.38 6.50 0.26 3.58 1.11 -1.26 -3.04 116.67 124.20 1poz s ASP 23 Ca -0.11 0.60 0.08 0.00 0.18 0.00 0.00 52.55 53.31 1poz s ASP 23 Cb -0.14 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 1poz s ASP 23 CO 0.04 -0.24 0.11 -0.22 1.18 0.00 0.00 175.17 176.04 1poz s LEU 24 N 2.00 3.56 -0.30 1.23 2.96 0.58 -2.56 118.68 126.16 1poz s LEU 24 Ca 0.23 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1poz s LEU 24 Cb -0.15 -2.09 0.19 0.00 0.50 0.00 0.00 46.19 44.64 1poz s LEU 24 CO 0.09 -0.02 0.60 0.21 -1.32 0.00 0.00 176.35 175.91 1poz s ASN 25 N -3.77 -1.51 0.46 3.68 3.04 0.26 -1.29 114.94 115.81 1poz s ASN 25 Ca 0.32 0.53 0.06 0.00 0.04 0.00 0.00 52.86 53.81 1poz s ASN 25 Cb -0.07 2.10 -0.02 0.00 -1.54 0.00 0.00 41.25 41.72 1poz s ASN 25 CO 0.23 -0.28 0.20 0.27 -3.04 0.00 0.00 177.10 174.48 1poz s ILE 26 N 2.85 1.94 -0.12 -5.21 -4.36 0.22 -0.15 121.20 116.35 1poz s ILE 26 Ca 0.15 -1.71 0.19 0.00 -0.26 0.00 0.00 60.65 59.03 1poz s ILE 26 Cb -0.12 -2.64 -0.23 0.00 1.25 0.00 0.00 42.46 40.72 1poz s ILE 26 CO -0.23 0.00 0.50 0.41 0.24 0.00 0.00 174.94 175.86 1poz n THR 27 N -1.37 0.84 0.00 8.37 -1.04 0.18 0.07 114.28 121.34 1poz n THR 27 Ca -0.05 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1poz n THR 27 Cb 0.65 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz s ARG 29 N -1.60 3.09 -0.19 0.00 3.00 0.83 -2.81 118.95 121.27 1poz s ARG 29 Ca 0.00 -2.65 -0.21 0.00 0.00 0.00 0.00 55.73 52.86 1poz s ARG 29 Cb 0.00 -4.03 -0.02 0.00 0.00 0.00 0.00 34.95 30.89 1poz s ARG 29 CO 0.00 -1.23 0.66 -0.06 0.00 0.00 0.00 175.30 174.67 1poz s PHE 30 N -0.24 3.39 -0.14 -0.53 0.40 0.17 -0.14 117.98 120.90 1poz s PHE 30 Ca 0.19 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.51 1poz s PHE 30 Cb -0.15 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1poz s PHE 30 CO -0.07 -0.16 0.00 0.00 0.70 0.00 0.00 175.22 175.69 1poz n ALA 31 N 4.98 -0.02 0.00 5.36 0.00 0.18 -1.31 120.51 129.70 1poz n ALA 31 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1poz n ALA 31 Cb 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1poz n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1poz n GLY 32 N 0.35 1.10 3.19 0.00 0.00 -0.35 -2.80 105.19 106.68 1poz n GLY 32 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1poz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1poz s VAL 33 N -2.00 2.28 -0.18 1.61 1.01 -0.43 0.21 120.40 122.90 1poz s VAL 33 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1poz s VAL 33 Cb 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1poz s VAL 33 CO 0.00 0.53 -0.15 0.12 0.00 0.00 0.00 175.10 175.60 1poz s PHE 34 N 0.92 2.50 -0.23 5.22 5.36 -0.05 0.45 117.98 132.16 1poz s PHE 34 Ca -0.04 -1.51 -0.23 0.00 -0.96 0.00 0.00 56.93 54.19 1poz s PHE 34 Cb -0.15 -1.74 -0.01 0.00 -0.34 0.00 0.00 43.02 40.78 1poz s PHE 34 CO -0.03 -0.75 0.75 -1.58 -1.46 0.00 0.00 175.22 172.15 1poz s HIS 35 N 1.38 3.33 0.00 10.12 5.65 -1.12 -2.74 115.29 131.91 1poz s HIS 35 Ca 0.03 1.05 -0.02 0.00 0.25 0.00 0.00 55.06 56.37 1poz s HIS 35 Cb -0.14 -2.95 -0.04 0.00 -1.18 0.00 0.00 32.58 28.27 1poz s HIS 35 CO -0.11 -0.32 0.16 0.54 -0.65 0.00 0.00 174.74 174.36 1poz s VAL 36 N 2.50 5.22 -0.28 0.89 0.11 -0.21 0.50 120.40 129.14 1poz s VAL 36 Ca 0.32 -0.27 -0.16 0.00 -2.93 0.00 0.00 61.98 58.94 1poz s VAL 36 Cb -0.16 -3.44 0.08 0.00 -1.53 0.00 0.00 36.38 31.33 1poz s VAL 36 CO 0.09 0.31 0.69 -1.83 -3.33 0.00 0.00 175.10 171.03 1poz s GLU 37 N -1.96 0.71 0.14 1.54 -1.05 0.78 -1.86 118.70 117.01 1poz s GLU 37 Ca 0.27 1.22 -0.14 0.00 -0.15 0.00 0.00 54.97 56.17 1poz s GLU 37 Cb -0.12 0.15 -0.07 0.00 -0.44 0.00 0.00 34.13 33.65 1poz s GLU 37 CO 0.18 -0.15 0.53 0.21 0.95 0.00 0.00 175.26 176.99 1poz s LYS 38 N 1.58 3.94 -0.60 -4.83 2.20 -1.26 0.91 119.74 121.68 1poz s LYS 38 Ca -0.10 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1poz s LYS 38 Cb -0.05 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1poz s LYS 38 CO -0.19 0.49 0.00 0.09 -0.36 0.00 0.00 175.35 175.38 1poz n ASN 39 N 0.80 -5.12 -1.06 1.43 3.02 -1.06 -2.46 115.26 110.82 1poz n ASN 39 Ca -0.06 0.14 -0.04 0.00 -0.03 0.00 0.00 54.58 54.59 1poz n ASN 39 Cb 0.52 -3.49 -0.02 0.00 -0.61 0.00 0.00 39.78 36.18 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1poz n GLY 40 N 0.50 0.42 3.48 7.41 0.00 -1.25 -4.83 105.19 110.91 1poz n GLY 40 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1poz n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1poz s ARG 41 N -2.27 1.74 0.00 1.61 1.70 -1.03 -5.00 118.95 115.71 1poz s ARG 41 Ca 0.00 -2.00 0.00 0.00 -0.47 0.00 0.00 55.73 53.26 1poz s ARG 41 Cb 0.00 -0.83 0.00 0.00 -0.57 0.00 0.00 34.95 33.55 1poz s ARG 41 CO 0.00 -0.27 0.56 0.66 -1.08 0.00 0.00 175.30 175.17 1poz n TYR 42 N -0.77 0.00 0.89 5.89 4.01 -1.26 -3.20 117.16 122.72 1poz n TYR 42 Ca -0.04 -0.26 0.12 0.00 -0.16 0.00 0.00 57.90 57.56 1poz n TYR 42 Cb 0.66 -0.17 0.28 0.00 -0.31 0.00 0.00 39.34 39.80 1poz n TYR 42 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1poz n SER 43 N 0.63 2.55 -4.88 7.72 3.41 -1.26 -0.73 113.62 121.05 1poz n SER 43 Ca 0.00 -1.84 -0.36 0.00 -0.26 0.00 0.00 58.87 56.40 1poz n SER 43 Cb 0.28 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1poz n SER 43 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1poz s ILE 44 N -1.75 5.47 0.00 -1.33 1.01 -0.78 -4.79 121.20 119.03 1poz s ILE 44 Ca 0.34 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1poz s ILE 44 Cb 0.20 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1poz s ILE 44 CO 0.30 0.56 0.00 -1.54 0.00 0.00 0.00 174.94 174.26 1poz n SER 45 N 1.77 0.26 0.10 3.58 3.41 -1.26 0.68 113.62 122.16 1poz n SER 45 Ca -0.18 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.21 1poz n SER 45 Cb 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 1poz n SER 45 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1poz h ARG 46 N 0.00 0.58 0.19 4.33 2.43 -1.93 -2.81 114.38 117.17 1poz h ARG 46 Ca 0.00 -0.82 -0.00 0.00 -0.81 0.00 0.00 59.98 58.34 1poz h ARG 46 Cb 0.00 0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1poz h ARG 46 CO 0.00 1.38 -0.26 1.15 -1.51 0.00 0.00 179.97 180.73 1poz h THR 47 N 0.24 0.00 0.85 0.20 2.02 -1.97 0.73 112.91 114.98 1poz h THR 47 Ca -0.20 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1poz h THR 47 Cb 1.97 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1poz h THR 47 CO 0.24 0.00 -0.41 -0.08 0.37 0.00 0.00 175.52 175.64 1poz h GLU 48 N -0.46 -1.11 -0.06 6.66 4.57 -1.86 -2.34 114.58 119.98 1poz h GLU 48 Ca -0.02 0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1poz h GLU 48 Cb 0.42 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1poz h GLU 48 CO -0.07 -0.73 -0.08 0.00 -1.18 0.00 0.00 179.01 176.95 1poz h ALA 49 N -1.25 -0.35 -1.00 2.92 0.00 -1.56 -0.35 119.26 117.68 1poz h ALA 49 Ca -0.12 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.13 1poz h ALA 49 Cb 0.88 0.79 -0.15 0.00 0.00 0.00 0.00 17.79 19.31 1poz h ALA 49 CO 0.19 -0.39 0.57 0.00 0.00 0.00 0.00 179.25 179.63 1poz h ALA 50 N -1.09 1.99 -0.70 0.00 0.00 -0.95 0.43 119.26 118.94 1poz h ALA 50 Ca 0.01 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1poz h ALA 50 Cb 0.08 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1poz h ALA 50 CO -0.09 -0.62 0.28 0.22 0.00 0.00 0.00 179.25 179.04 1poz h ASP 51 N 0.29 0.29 -0.01 0.00 1.82 -0.49 -1.20 116.42 117.12 1poz h ASP 51 Ca 0.75 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 57.47 1poz h ASP 51 Cb 1.74 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.81 1poz h ASP 51 CO -0.62 0.14 -0.03 -0.07 -1.61 0.00 0.00 179.24 177.05 1poz h LEU 52 N 0.46 0.04 -1.47 2.28 4.07 0.21 -1.35 115.31 119.54 1poz h LEU 52 Ca 0.37 -0.63 0.13 0.00 0.08 0.00 0.00 57.88 57.83 1poz h LEU 52 Cb 0.50 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1poz h LEU 52 CO -0.35 0.67 0.72 0.00 -1.08 0.00 0.00 178.44 178.39 1poz h LYS 54 N 0.00 0.13 -0.85 0.00 2.10 -1.04 0.23 116.57 117.14 1poz h LYS 54 Ca 0.22 -0.22 0.20 0.00 -2.00 0.00 0.00 60.65 58.85 1poz h LYS 54 Cb 1.65 0.08 -0.15 0.00 -0.90 0.00 0.00 32.23 32.90 1poz h LYS 54 CO -0.00 0.84 -0.04 0.00 -2.00 0.00 0.00 179.45 178.25 1poz h ALA 55 N 0.56 0.84 -1.01 0.07 0.00 0.43 0.24 119.26 120.39 1poz h ALA 55 Ca -0.35 0.29 -0.65 0.00 0.00 0.00 0.00 54.91 54.21 1poz h ALA 55 Cb 2.02 0.53 -0.34 0.00 0.00 0.00 0.00 17.79 20.00 1poz h ALA 55 CO 0.09 -0.45 0.22 1.97 0.00 0.00 0.00 179.25 181.07 1poz n PHE 56 N -5.44 3.08 -2.44 0.00 -1.74 -1.07 -1.85 117.46 108.00 1poz n PHE 56 Ca 0.16 -2.68 -0.18 0.00 -0.56 0.00 0.00 57.45 54.19 1poz n PHE 56 Cb 0.54 -0.89 0.01 0.00 1.52 0.00 0.00 39.48 40.66 1poz n PHE 56 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1poz n ASN 57 N -0.72 -2.55 -3.92 5.98 0.23 0.85 -4.58 115.26 110.54 1poz n ASN 57 Ca 0.52 -0.18 -0.10 0.00 -0.53 0.00 0.00 54.58 54.29 1poz n ASN 57 Cb 0.65 -0.77 -0.11 0.00 -2.08 0.00 0.00 39.78 37.48 1poz n ASN 57 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1poz s SER 58 N -1.14 0.12 0.02 0.53 1.04 0.81 -3.20 113.70 111.89 1poz s SER 58 Ca 0.14 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1poz s SER 58 Cb -0.01 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1poz s SER 58 CO 0.43 -0.29 -0.04 0.42 0.98 0.00 0.00 173.24 174.73 1poz s THR 59 N -1.26 0.21 -0.28 2.02 -4.23 -0.48 -4.33 115.64 107.30 1poz s THR 59 Ca -0.14 -0.84 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 1poz s THR 59 Cb -0.08 -0.32 0.46 0.00 1.34 0.00 0.00 72.50 73.90 1poz s THR 59 CO 0.00 -0.41 1.18 0.00 -0.54 0.00 0.00 174.62 174.86 1poz n LEU 60 N 1.75 4.42 -0.16 4.79 -0.00 -1.26 0.07 117.00 126.60 1poz n LEU 60 Ca -0.22 -4.49 0.09 0.00 -0.00 0.00 0.00 56.01 51.38 1poz n LEU 60 Cb 0.55 -0.24 0.46 0.00 -0.00 0.00 0.00 43.42 44.19 1poz n LEU 60 CO 0.21 1.94 0.80 -0.81 -0.00 0.00 0.00 177.39 179.54 1poz n PRO 61 N -0.70 1.21 -3.93 1.47 -0.04 -1.26 -3.64 135.00 128.10 1poz n PRO 61 Ca 0.38 -0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1poz n PRO 61 Cb 0.94 -1.30 -0.16 0.00 -0.04 0.00 0.00 33.50 32.95 1poz n PRO 61 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1poz s THR 62 N -1.93 1.53 0.65 0.52 2.01 -1.26 -4.96 115.64 112.20 1poz s THR 62 Ca 0.27 -1.29 0.32 0.00 0.31 0.00 0.00 61.69 61.30 1poz s THR 62 Cb 0.13 -1.84 0.34 0.00 0.01 0.00 0.00 72.50 71.14 1poz s THR 62 CO 0.21 -0.16 2.01 0.00 -0.69 0.00 0.00 174.62 175.99 1poz h MET 63 N 7.94 0.00 -0.31 4.92 -0.00 -2.00 0.39 114.93 125.88 1poz h MET 63 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.40 1poz h MET 63 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.65 1poz h MET 63 CO 0.42 0.00 -0.35 0.00 -0.00 0.00 0.00 176.91 176.98 1poz h ALA 64 N 1.50 0.81 -0.21 -3.00 0.00 -1.97 0.21 119.26 116.61 1poz h ALA 64 Ca 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1poz h ALA 64 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1poz h ALA 64 CO -0.00 0.65 -0.06 1.96 0.00 0.00 0.00 179.25 181.80 1poz h GLN 65 N 0.58 0.41 -0.16 0.00 4.20 -0.63 0.32 115.11 119.83 1poz h GLN 65 Ca 0.06 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1poz h GLN 65 Cb 0.87 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1poz h GLN 65 CO 0.08 0.66 -0.06 0.52 -0.67 0.00 0.00 178.83 179.36 1poz h MET 66 N 0.13 0.31 -0.50 1.46 2.86 -1.44 -2.76 114.93 114.99 1poz h MET 66 Ca 0.05 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1poz h MET 66 Cb 0.51 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1poz h MET 66 CO 0.02 0.61 0.02 0.93 1.06 0.00 0.00 176.91 179.55 1poz h GLU 67 N -0.00 0.88 -0.42 1.72 5.08 -0.59 -1.16 114.58 120.08 1poz h GLU 67 Ca 0.04 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1poz h GLU 67 Cb 0.51 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1poz h GLU 67 CO 0.02 0.90 -0.05 0.87 -1.00 0.00 0.00 179.01 179.75 1poz h LYS 68 N 0.74 0.05 0.00 2.33 1.57 -0.36 0.42 116.57 121.32 1poz h LYS 68 Ca 0.14 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1poz h LYS 68 Cb 0.49 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1poz h LYS 68 CO 0.02 0.04 -0.23 0.00 -0.57 0.00 0.00 179.45 178.71 1poz h ALA 69 N 1.39 1.59 0.00 3.86 0.00 -1.31 -1.77 119.26 123.02 1poz h ALA 69 Ca 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1poz h ALA 69 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1poz h ALA 69 CO -0.39 0.29 -0.25 -0.07 0.00 0.00 0.00 179.25 178.84 1poz h LEU 70 N 0.00 0.00 0.00 0.00 4.07 0.10 0.20 115.31 119.68 1poz h LEU 70 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1poz h LEU 70 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1poz h LEU 70 CO 0.03 0.25 -0.75 -0.24 -1.08 0.00 0.00 178.44 176.65 1poz n SER 71 N -3.95 0.63 -0.63 -0.43 2.88 -0.32 -3.84 113.62 107.97 1poz n SER 71 Ca -0.02 -0.33 0.12 0.00 -1.33 0.00 0.00 58.87 57.31 1poz n SER 71 Cb 0.32 0.53 0.38 0.00 -0.75 0.00 0.00 64.21 64.69 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1poz n ILE 72 N -1.69 0.16 -0.09 2.46 -6.64 -0.83 -4.89 119.36 107.84 1poz n ILE 72 Ca 0.04 -0.38 0.00 0.00 -1.77 0.00 0.00 62.75 60.64 1poz n ILE 72 Cb 0.37 0.57 0.00 0.00 -1.44 0.00 0.00 39.64 39.14 1poz n ILE 72 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1poz n GLY 73 N 1.20 1.87 3.38 3.28 0.00 -1.15 -4.93 105.19 108.84 1poz n GLY 73 Ca 0.17 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1poz n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1poz s PHE 74 N -2.00 3.01 -0.27 1.61 5.36 -0.00 -5.03 117.98 120.65 1poz s PHE 74 Ca 0.00 -0.68 -0.23 0.00 -0.96 0.00 0.00 56.93 55.06 1poz s PHE 74 Cb 0.00 -2.13 0.08 0.00 -0.34 0.00 0.00 43.02 40.63 1poz s PHE 74 CO 0.00 -0.42 0.74 -1.83 -1.46 0.00 0.00 175.22 172.25 1poz s GLU 75 N 1.39 0.78 -0.04 10.12 -1.05 -1.26 -4.09 118.70 124.55 1poz s GLU 75 Ca 0.05 1.02 0.07 0.00 -0.15 0.00 0.00 54.97 55.95 1poz s GLU 75 Cb -0.15 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 1poz s GLU 75 CO -0.00 -0.11 -0.25 0.95 0.95 0.00 0.00 175.26 176.80 1poz s THR 76 N 0.65 2.04 0.00 1.83 -4.23 -1.26 -4.95 115.64 109.73 1poz s THR 76 Ca -0.02 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1poz s THR 76 Cb -0.05 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.08 1poz s THR 76 CO -0.04 0.57 1.58 0.00 -0.54 0.00 0.00 174.62 176.19 1poz s ARG 78 N 0.00 0.57 -0.23 0.00 1.81 -1.26 -5.02 118.95 114.83 1poz s ARG 78 Ca 0.00 -0.10 -0.29 0.00 -1.72 0.00 0.00 55.73 53.62 1poz s ARG 78 Cb 0.00 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.74 1poz s ARG 78 CO 0.00 -0.14 1.45 0.71 -0.68 0.00 0.00 175.30 176.63 1poz s TYR 79 N -1.03 2.42 -0.08 -0.53 1.51 -1.26 -4.78 117.35 113.60 1poz s TYR 79 Ca -0.11 0.71 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 1poz s TYR 79 Cb -0.05 -3.88 -0.02 0.00 -0.11 0.00 0.00 41.96 37.90 1poz s TYR 79 CO 0.03 -2.36 -0.11 0.20 -1.11 0.00 0.00 175.55 172.20 1poz s GLY 80 N 3.29 1.59 0.16 0.71 0.00 0.52 -1.94 107.32 111.65 1poz s GLY 80 Ca 0.63 -0.92 -0.34 0.00 0.00 0.00 0.00 44.72 44.09 1poz s GLY 80 CO 0.25 -0.55 1.53 0.69 0.00 0.00 0.00 173.10 175.02 1poz n PHE 81 N 2.68 2.18 -3.94 1.90 3.72 0.14 -2.05 117.46 122.10 1poz n PHE 81 Ca -0.18 0.33 -0.11 0.00 -0.05 0.00 0.00 57.45 57.44 1poz n PHE 81 Cb 0.52 -2.51 -0.01 0.00 -0.94 0.00 0.00 39.48 36.54 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1poz n ILE 82 N 3.12 0.00 -0.29 4.37 0.13 -0.90 -1.83 119.36 123.96 1poz n ILE 82 Ca 0.16 -0.84 0.17 0.00 -1.10 0.00 0.00 62.75 61.14 1poz n ILE 82 Cb 0.28 -0.09 0.44 0.00 -0.84 0.00 0.00 39.64 39.43 1poz n ILE 82 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 1poz h GLU 83 N 0.00 0.53 0.00 9.51 4.11 -1.94 -3.26 114.58 123.54 1poz h GLU 83 Ca -0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1poz h GLU 83 Cb 0.47 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1poz h GLU 83 CO 0.23 0.35 -0.22 0.41 0.07 0.00 0.00 179.01 179.85 1poz n GLY 84 N -1.45 -0.61 1.23 1.06 0.00 -1.26 -5.04 105.19 99.12 1poz n GLY 84 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1poz n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1poz n HIS 85 N -3.07 -1.16 -1.67 1.61 8.25 -1.23 -5.12 115.22 112.83 1poz n HIS 85 Ca -0.03 -0.51 -0.59 0.00 -0.26 0.00 0.00 57.72 56.32 1poz n HIS 85 Cb 0.12 0.25 -0.08 0.00 1.12 0.00 0.00 29.99 31.40 1poz n HIS 85 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1poz n VAL 86 N -0.20 0.14 -4.20 1.59 3.14 -1.26 -2.11 118.33 115.43 1poz n VAL 86 Ca -0.02 -0.03 -0.17 0.00 -2.96 0.00 0.00 64.34 61.16 1poz n VAL 86 Cb 0.19 -0.84 -0.07 0.00 -1.06 0.00 0.00 33.84 32.07 1poz n VAL 86 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1poz s VAL 87 N 2.45 0.00 -0.03 1.55 -7.23 -0.87 -2.66 120.40 113.61 1poz s VAL 87 Ca 0.97 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1poz s VAL 87 Cb -1.18 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 33.24 1poz s VAL 87 CO 0.65 0.00 0.04 -0.63 -0.31 0.00 0.00 175.10 174.85 1poz s ILE 88 N -3.31 -0.07 0.00 -0.62 -1.09 0.55 -0.36 121.20 116.31 1poz s ILE 88 Ca 0.37 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1poz s ILE 88 Cb 0.01 -0.10 0.00 0.00 -1.58 0.00 0.00 42.46 40.79 1poz s ILE 88 CO 0.24 0.10 0.00 -0.81 -1.23 0.00 0.00 174.94 173.24 1poz n PRO 89 N 4.35 0.00 -2.54 2.79 -0.04 -1.26 -2.34 135.00 135.96 1poz n PRO 89 Ca -0.24 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.09 1poz n PRO 89 Cb 0.50 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1poz n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1poz n ARG 90 N 0.00 -2.20 0.00 0.54 5.12 -1.26 -3.21 116.66 115.65 1poz n ARG 90 Ca 0.00 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.46 1poz n ARG 90 Cb 0.00 -4.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.67 1poz n ARG 90 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1poz n ILE 91 N -3.98 0.00 0.09 0.55 5.41 -1.26 -3.37 119.36 116.80 1poz n ILE 91 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1poz n ILE 91 Cb 0.58 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 1poz n ILE 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1poz n HIS 92 N 0.00 -3.01 0.37 1.39 8.25 -1.26 -1.58 115.22 119.38 1poz n HIS 92 Ca 0.00 0.60 0.13 0.00 -0.26 0.00 0.00 57.72 58.20 1poz n HIS 92 Cb 0.00 1.75 0.55 0.00 1.12 0.00 0.00 29.99 33.40 1poz n HIS 92 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1poz h PRO 93 N 0.00 0.00 -0.54 -0.41 0.13 -1.99 -2.66 132.00 126.53 1poz h PRO 93 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1poz h PRO 93 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1poz h PRO 93 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 1poz n ASN 94 N -2.47 1.68 -4.64 1.44 4.13 -1.22 -4.90 115.26 109.29 1poz n ASN 94 Ca 0.02 -2.12 -0.44 0.00 1.68 0.00 0.00 54.58 53.71 1poz n ASN 94 Cb 0.25 -0.34 -0.04 0.00 -1.54 0.00 0.00 39.78 38.12 1poz n ASN 94 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1poz n SER 95 N 0.13 3.73 0.00 6.41 3.41 -1.00 -4.44 113.62 121.86 1poz n SER 95 Ca 0.07 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1poz n SER 95 Cb 0.34 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1poz n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1poz n ILE 96 N 6.08 0.00 0.03 -1.33 3.06 -1.26 -4.96 119.36 120.98 1poz n ILE 96 Ca 0.24 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.33 1poz n ILE 96 Cb 0.39 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.43 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1poz h ALA 98 N 0.53 1.00 -3.74 0.00 0.00 -1.92 -3.46 119.26 111.67 1poz h ALA 98 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.23 1poz h ALA 98 Cb 2.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.81 1poz h ALA 98 CO 0.13 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 178.83 1poz n ALA 99 N -2.07 -0.79 -1.00 0.00 0.00 -1.25 -4.61 120.51 110.80 1poz n ALA 99 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1poz n ALA 99 Cb 0.18 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.83 1poz n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1poz n ASN 100 N -2.20 0.00 0.00 0.00 2.85 -1.26 -5.11 115.26 109.53 1poz n ASN 100 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1poz n ASN 100 Cb 0.65 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.67 1poz n ASN 100 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1poz n ASN 101 N -0.76 0.06 -1.64 1.20 3.02 -1.26 -5.01 115.26 110.87 1poz n ASN 101 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1poz n ASN 101 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1poz n ASN 101 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1poz n THR 102 N 0.00 0.00 -2.43 3.41 -2.24 -1.26 -4.55 114.28 107.21 1poz n THR 102 Ca 0.00 -0.44 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1poz n THR 102 Cb 0.00 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1poz n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1poz n GLY 103 N -0.19 -4.97 4.37 3.38 0.00 -0.61 -4.04 105.19 103.12 1poz n GLY 103 Ca -0.02 1.52 -0.38 0.00 0.00 0.00 0.00 46.02 47.13 1poz n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1poz n VAL 104 N 1.45 -0.21 -2.18 1.61 3.14 -0.99 -4.80 118.33 116.35 1poz n VAL 104 Ca -0.37 -0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 60.48 1poz n VAL 104 Cb 0.57 -0.58 -0.02 0.00 -1.06 0.00 0.00 33.84 32.74 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1poz s TYR 105 N -3.41 2.28 0.55 1.45 5.04 -0.99 -4.58 117.35 117.68 1poz s TYR 105 Ca 0.62 0.58 -0.15 0.00 -2.44 0.00 0.00 57.07 55.68 1poz s TYR 105 Cb -0.36 -3.87 -0.07 0.00 0.35 0.00 0.00 41.96 38.02 1poz s TYR 105 CO 0.98 -2.79 1.00 0.42 -1.34 0.00 0.00 175.55 173.82 1poz s ILE 106 N 4.51 4.50 0.00 3.14 -1.09 -1.25 -0.33 121.20 130.68 1poz s ILE 106 Ca 0.67 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 1poz s ILE 106 Cb -0.25 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1poz s ILE 106 CO 0.26 -0.77 0.00 -0.11 -1.23 0.00 0.00 174.94 173.09 1poz n LEU 107 N -1.88 0.00 -0.37 2.97 -0.00 -1.09 -4.94 117.00 111.70 1poz n LEU 107 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1poz n LEU 107 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1poz n LEU 107 CO 0.49 0.00 0.18 0.35 -0.00 0.00 0.00 177.39 178.41 1poz n THR 108 N 0.00 0.00 0.06 1.96 -2.24 -1.26 -5.01 114.28 107.79 1poz n THR 108 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1poz n THR 108 Cb 0.00 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1poz n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1poz n SER 109 N 0.00 0.14 -1.07 3.42 2.88 -1.26 -5.00 113.62 112.72 1poz n SER 109 Ca 0.00 0.19 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 1poz n SER 109 Cb 0.50 0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 1poz n SER 109 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1poz n ASN 110 N -3.01 -4.94 0.01 -3.46 4.05 -1.26 -4.77 115.26 101.89 1poz n ASN 110 Ca 0.00 0.32 0.11 0.00 0.45 0.00 0.00 54.58 55.46 1poz n ASN 110 Cb 0.00 -3.95 -0.08 0.00 1.23 0.00 0.00 39.78 36.98 1poz n ASN 110 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1poz n THR 111 N -2.07 0.11 0.00 -0.44 5.66 -1.26 -4.84 114.28 111.44 1poz n THR 111 Ca -0.13 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 1poz n THR 111 Cb 0.55 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 1poz n THR 111 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1poz n SER 112 N -2.02 0.00 0.00 1.09 7.64 -1.26 -5.13 113.62 113.94 1poz n SER 112 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1poz n SER 112 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1poz n SER 112 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1poz n GLN 113 N 0.00 0.00 0.00 1.43 3.00 -0.90 -4.95 117.38 115.96 1poz n GLN 113 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1poz n GLN 113 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1poz n GLN 113 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1poz n TYR 114 N 0.00 0.00 -2.83 1.08 4.01 0.21 -4.71 117.16 114.92 1poz n TYR 114 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1poz n TYR 114 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1poz n ASP 115 N 0.00 1.51 -3.43 7.72 8.00 -0.82 -1.86 116.55 127.68 1poz n ASP 115 Ca 0.00 -0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 1poz n ASP 115 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1poz n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1poz s THR 116 N 1.11 0.00 0.31 -3.53 -1.32 -0.78 0.28 115.64 111.72 1poz s THR 116 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1poz s THR 116 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1poz s THR 116 CO 0.00 0.00 -0.14 -0.31 -2.21 0.00 0.00 174.62 171.96 1poz s TYR 117 N -3.60 2.29 -0.29 9.09 1.51 -0.76 -1.04 117.35 124.54 1poz s TYR 117 Ca 0.00 -0.45 -0.14 0.00 -1.01 0.00 0.00 57.07 55.47 1poz s TYR 117 Cb -0.01 -1.18 0.11 0.00 -0.11 0.00 0.00 41.96 40.77 1poz s TYR 117 CO -0.12 0.60 0.75 0.00 -1.11 0.00 0.00 175.55 175.67 1poz s PHE 119 N 1.97 2.66 -0.48 0.00 5.36 0.11 -0.87 117.98 126.73 1poz s PHE 119 Ca -0.08 0.51 -0.29 0.00 -0.96 0.00 0.00 56.93 56.11 1poz s PHE 119 Cb -0.07 -4.50 0.03 0.00 -0.34 0.00 0.00 43.02 38.15 1poz s PHE 119 CO -0.19 -1.50 1.15 1.21 -1.46 0.00 0.00 175.22 174.43 1poz s ASN 120 N 2.83 6.62 0.53 6.13 2.47 0.56 -1.38 114.94 132.70 1poz s ASN 120 Ca 0.45 0.45 0.24 0.00 0.42 0.00 0.00 52.86 54.42 1poz s ASN 120 Cb -0.07 -2.55 1.47 0.00 -1.45 0.00 0.00 41.25 38.65 1poz s ASN 120 CO 0.27 -1.27 2.13 0.00 -3.72 0.00 0.00 177.10 174.51 1poz h ALA 121 N 9.28 1.54 -0.09 1.71 0.00 -1.76 -0.34 119.26 129.61 1poz h ALA 121 Ca -0.23 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1poz h ALA 121 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1poz h ALA 121 CO 1.13 0.09 -0.45 0.77 0.00 0.00 0.00 179.25 180.79 1poz h SER 122 N 0.00 0.24 -3.57 0.00 0.02 -1.82 -3.40 113.55 105.02 1poz h SER 122 Ca -0.00 -0.11 -0.64 0.00 -0.84 0.00 0.00 61.79 60.20 1poz h SER 122 Cb 0.17 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 62.50 1poz h SER 122 CO 0.01 0.66 0.25 0.00 -1.14 0.00 0.00 176.83 176.62 1poz s ALA 123 N -4.06 3.31 1.13 3.77 0.00 -0.14 -5.05 121.76 120.73 1poz s ALA 123 Ca -0.04 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.59 1poz s ALA 123 Cb 0.13 -3.41 0.12 0.00 0.00 0.00 0.00 23.12 19.96 1poz s ALA 123 CO 0.77 -1.90 0.05 -2.30 0.00 0.00 0.00 175.76 172.38 1poz n PRO 124 N 6.54 -1.74 -1.30 0.00 -0.02 -1.26 -3.65 135.00 133.57 1poz n PRO 124 Ca 0.00 -0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 60.56 1poz n PRO 124 Cb 0.48 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 1poz n PRO 124 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1poz n PRO 125 N -2.22 1.81 0.00 0.52 -0.02 -1.21 -1.21 135.00 132.67 1poz n PRO 125 Ca 0.01 -2.03 0.00 0.00 -2.02 0.00 0.00 63.50 59.46 1poz n PRO 125 Cb 0.62 -3.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1poz n PRO 125 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1poz n GLU 126 N 6.84 0.00 0.00 -0.52 0.00 -1.12 -4.81 120.64 121.02 1poz n GLU 126 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1poz n GLU 126 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.84 1poz n GLU 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1poz n GLU 127 N 0.00 0.00 0.00 5.31 -0.58 -1.23 0.50 120.64 124.64 1poz n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1poz n GLU 127 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1poz n GLU 127 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1poz n ASP 128 N -0.14 0.00 -2.37 1.62 2.03 0.80 -4.44 116.55 114.05 1poz n ASP 128 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1poz n ASP 128 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1poz n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1poz n THR 130 N -0.38 0.02 -1.41 0.00 -1.04 -1.26 -4.53 114.28 105.67 1poz n THR 130 Ca 0.02 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 1poz n THR 130 Cb 0.90 -0.45 -0.16 0.00 -1.82 0.00 0.00 70.33 68.79 1poz n THR 130 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1poz n SER 131 N 2.32 -0.14 -1.21 8.00 3.41 -1.26 -4.71 113.62 120.04 1poz n SER 131 Ca 0.20 -0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.80 1poz n SER 131 Cb 0.12 -0.77 0.14 0.00 -0.26 0.00 0.00 64.21 63.44 1poz n SER 131 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1poz n VAL 132 N 6.58 1.38 0.29 -3.33 3.14 -1.26 -4.38 118.33 120.75 1poz n VAL 132 Ca 0.62 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1poz n VAL 132 Cb 0.05 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1poz n THR 133 N 0.13 0.00 0.00 1.55 5.66 -1.26 -3.56 114.28 116.80 1poz n THR 133 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1poz n THR 133 Cb 0.75 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1poz n THR 133 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1poz n ASP 134 N 0.14 0.00 -3.56 1.09 -0.08 -1.26 -4.87 116.55 108.01 1poz n ASP 134 Ca 0.00 0.10 -0.26 0.00 -1.51 0.00 0.00 54.79 53.12 1poz n ASP 134 Cb 0.04 -0.19 -0.00 0.00 2.34 0.00 0.00 41.12 43.31 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1poz n LEU 135 N -1.43 -1.70 0.00 -2.67 4.77 -1.23 -4.76 117.00 109.99 1poz n LEU 135 Ca 0.00 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1poz n LEU 135 Cb 0.00 -2.17 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 1poz n LEU 135 CO 0.00 0.21 0.28 -0.81 -1.33 0.00 0.00 177.39 175.75 1poz n PRO 136 N -3.94 0.00 -0.01 3.23 -0.04 -1.20 -1.32 135.00 131.72 1poz n PRO 136 Ca 0.01 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1poz n PRO 136 Cb 0.53 -1.51 0.60 0.00 -0.04 0.00 0.00 33.50 33.08 1poz n PRO 136 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1poz n ASN 137 N -1.06 1.17 -1.87 3.54 2.85 -0.77 -4.86 115.26 114.26 1poz n ASN 137 Ca 0.00 -1.42 0.00 0.00 -0.11 0.00 0.00 54.58 53.05 1poz n ASN 137 Cb 0.01 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1poz n ALA 138 N -0.08 0.00 -2.43 5.20 0.00 -0.43 -4.69 120.51 118.08 1poz n ALA 138 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1poz n ALA 138 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 1poz n ALA 138 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1poz s PHE 139 N 0.97 0.27 0.66 0.00 -0.71 -1.26 -5.03 117.98 112.88 1poz s PHE 139 Ca 0.00 -0.72 -0.17 0.00 -1.04 0.00 0.00 56.93 55.00 1poz s PHE 139 Cb 0.00 -0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.59 1poz s PHE 139 CO 0.00 -0.47 0.63 -0.25 -1.34 0.00 0.00 175.22 173.79 1poz n ASP 140 N 0.09 -0.71 0.00 1.98 9.92 -1.26 -1.97 116.55 124.60 1poz n ASP 140 Ca -0.15 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1poz n ASP 140 Cb 0.62 -1.25 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 1poz n ASP 140 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1poz n GLY 141 N 1.59 3.78 0.00 0.44 0.00 -1.16 -4.18 105.19 105.66 1poz n GLY 141 Ca 0.11 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.59 1poz n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poz n PRO 142 N -1.13 0.07 -1.53 1.61 -0.02 -1.21 -2.25 135.00 130.53 1poz n PRO 142 Ca 0.00 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 1poz n PRO 142 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1poz n PRO 142 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1poz n ILE 143 N -1.37 0.03 -1.84 4.25 -0.00 -0.21 -4.09 119.36 116.14 1poz n ILE 143 Ca 0.03 -0.55 -0.29 0.00 -0.00 0.00 0.00 62.75 61.93 1poz n ILE 143 Cb 0.07 -2.25 -0.04 0.00 -0.00 0.00 0.00 39.64 37.42 1poz n ILE 143 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1poz s THR 144 N 10.48 3.23 -1.11 1.39 2.01 -1.21 -0.28 115.64 130.15 1poz s THR 144 Ca 1.06 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.80 1poz s THR 144 Cb -0.46 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.54 1poz s THR 144 CO 0.34 -0.53 1.55 -0.63 -0.69 0.00 0.00 174.62 174.66 1poz s ILE 145 N 11.27 3.98 -0.59 1.82 1.01 0.16 -1.57 121.20 137.28 1poz s ILE 145 Ca 0.80 -1.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 1poz s ILE 145 Cb -0.12 -5.10 0.15 0.00 0.01 0.00 0.00 42.46 37.40 1poz s ILE 145 CO 0.13 -1.96 0.54 -0.89 0.00 0.00 0.00 174.94 172.77 1poz s THR 146 N 4.79 5.23 -0.49 2.92 2.01 -1.17 -0.81 115.64 128.12 1poz s THR 146 Ca 0.49 -1.70 -0.28 0.00 0.31 0.00 0.00 61.69 60.50 1poz s THR 146 Cb 0.01 -4.33 0.03 0.00 0.01 0.00 0.00 72.50 68.22 1poz s THR 146 CO -0.04 -0.90 1.12 -0.63 -0.69 0.00 0.00 174.62 173.48 1poz s ILE 147 N 1.31 4.21 -0.52 1.82 1.09 -0.14 -0.31 121.20 128.67 1poz s ILE 147 Ca 0.06 1.11 -0.22 0.00 -1.10 0.00 0.00 60.65 60.50 1poz s ILE 147 Cb -0.26 -4.60 0.04 0.00 -1.06 0.00 0.00 42.46 36.58 1poz s ILE 147 CO 0.01 -1.04 0.81 -0.69 -0.10 0.00 0.00 174.94 173.92 1poz s VAL 148 N 4.44 4.59 0.27 2.92 1.01 -0.41 -2.18 120.40 131.04 1poz s VAL 148 Ca 0.46 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1poz s VAL 148 Cb -0.07 -4.42 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1poz s VAL 148 CO 0.30 -0.95 0.94 0.20 0.00 0.00 0.00 175.10 175.59 1poz s ASN 149 N 2.68 7.54 0.00 3.32 0.01 -0.75 0.69 114.94 128.43 1poz s ASN 149 Ca 0.25 1.90 0.00 0.00 -0.71 0.00 0.00 52.86 54.30 1poz s ASN 149 Cb -0.15 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1poz s ASN 149 CO 0.17 0.09 0.62 0.54 -1.51 0.00 0.00 177.10 177.01 1poz n ARG 150 N 1.18 0.00 -0.56 -0.60 5.12 0.11 -0.63 116.66 121.29 1poz n ARG 150 Ca -0.01 0.14 0.08 0.00 -1.93 0.00 0.00 57.85 56.13 1poz n ARG 150 Cb 0.48 -1.51 0.31 0.00 -1.16 0.00 0.00 32.46 30.58 1poz n ARG 150 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1poz n ASP 151 N -1.12 4.23 -0.77 0.55 8.00 -1.26 -4.89 116.55 121.28 1poz n ASP 151 Ca 0.00 -2.43 -0.05 0.00 0.71 0.00 0.00 54.79 53.03 1poz n ASP 151 Cb 0.01 -0.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.57 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1poz n GLY 152 N 0.96 0.38 3.75 0.44 0.00 0.20 -5.05 105.19 105.87 1poz n GLY 152 Ca 0.22 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1poz n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1poz s THR 153 N -2.57 4.08 -0.29 2.61 -4.23 -1.05 -4.96 115.64 109.23 1poz s THR 153 Ca 0.05 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1poz s THR 153 Cb -0.02 -3.16 0.13 0.00 1.34 0.00 0.00 72.50 70.79 1poz s THR 153 CO 0.06 -0.29 0.27 -0.13 -0.54 0.00 0.00 174.62 174.00 1poz s ARG 154 N -3.57 0.31 -0.08 3.99 0.52 -1.26 -1.82 118.95 117.05 1poz s ARG 154 Ca 0.31 -0.21 -0.09 0.00 -0.52 0.00 0.00 55.73 55.23 1poz s ARG 154 Cb -0.08 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 1poz s ARG 154 CO 0.22 -1.03 0.22 0.71 0.02 0.00 0.00 175.30 175.44 1poz s TYR 155 N 2.31 3.63 -0.12 -0.53 2.02 -0.93 -4.94 117.35 118.80 1poz s TYR 155 Ca 0.09 0.65 -0.01 0.00 -0.37 0.00 0.00 57.07 57.44 1poz s TYR 155 Cb -0.14 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1poz s TYR 155 CO -0.33 0.70 -0.10 0.54 -1.57 0.00 0.00 175.55 174.79 1poz s VAL 156 N -1.07 3.37 0.28 0.71 0.11 -1.26 -0.96 120.40 121.58 1poz s VAL 156 Ca 0.19 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 1poz s VAL 156 Cb -0.13 -2.42 -0.02 0.00 -1.53 0.00 0.00 36.38 32.28 1poz s VAL 156 CO 0.08 0.53 0.35 -1.58 -3.33 0.00 0.00 175.10 171.16 1poz s GLN 157 N 0.06 1.62 -0.26 1.54 0.74 0.01 -4.95 119.66 118.42 1poz s GLN 157 Ca -0.03 -1.65 0.01 0.00 0.05 0.00 0.00 55.36 53.73 1poz s GLN 157 Cb -0.14 0.39 0.07 0.00 1.10 0.00 0.00 33.01 34.43 1poz s GLN 157 CO 0.04 -0.63 -0.01 0.15 -0.55 0.00 0.00 175.29 174.29 1poz s LYS 158 N -3.62 1.35 0.00 1.67 1.02 -1.26 0.37 119.74 119.27 1poz s LYS 158 Ca 0.33 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1poz s LYS 158 Cb 0.02 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1poz s LYS 158 CO 0.17 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1poz n GLY 159 N 4.68 5.46 1.53 -3.33 0.00 0.62 -4.40 105.19 109.76 1poz n GLY 159 Ca -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 1poz n GLY 159 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1poz n GLU 160 N 0.00 0.45 0.00 1.61 0.00 -0.83 -1.04 120.64 120.82 1poz n GLU 160 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 57.16 56.28 1poz n GLU 160 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 31.44 31.88 1poz n GLU 160 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1poz n TYR 161 N -0.52 0.00 -0.98 4.31 4.11 -1.26 -4.33 117.16 118.49 1poz n TYR 161 Ca -0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.59 1poz n TYR 161 Cb 0.69 -0.05 -0.16 0.00 -0.00 0.00 0.00 39.34 39.82 1poz n TYR 161 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1poz n ARG 162 N -0.22 1.96 0.00 -3.48 1.85 -1.26 -4.55 116.66 110.96 1poz n ARG 162 Ca 0.00 -0.96 0.00 0.00 -1.00 0.00 0.00 57.85 55.89 1poz n ARG 162 Cb 0.11 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 29.56 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1poz n THR 163 N 2.47 0.00 -3.47 8.89 -1.04 -1.26 -4.05 114.28 115.82 1poz n THR 163 Ca 0.41 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 62.15 1poz n THR 163 Cb 0.90 -0.27 -0.08 0.00 -1.82 0.00 0.00 70.33 69.06 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1poz n ASN 164 N -0.01 3.76 0.24 8.00 4.05 -1.26 -4.78 115.26 125.25 1poz n ASN 164 Ca 0.00 -3.42 0.13 0.00 0.45 0.00 0.00 54.58 51.74 1poz n ASN 164 Cb 0.10 -0.70 0.36 0.00 1.23 0.00 0.00 39.78 40.77 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1poz h PRO 165 N 4.38 0.00 0.00 1.20 0.13 -2.00 -3.10 132.00 132.61 1poz h PRO 165 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1poz h PRO 165 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1poz h PRO 165 CO 0.84 0.05 0.00 1.49 -0.23 0.00 0.00 178.00 180.14 1poz h GLU 166 N 0.00 0.00 0.00 0.86 4.81 -1.89 -1.13 114.58 117.23 1poz h GLU 166 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1poz h GLU 166 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1poz h GLU 166 CO 0.01 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 178.51 1poz h ASP 167 N 0.00 0.00 0.00 1.04 3.58 -1.91 -3.14 116.42 115.99 1poz h ASP 167 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1poz h ASP 167 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1poz h ASP 167 CO 0.00 0.00 -0.61 -0.38 -2.88 0.00 0.00 179.24 175.37 1poz n ILE 168 N -2.47 0.94 -3.56 2.25 5.41 -0.46 -4.83 119.36 116.63 1poz n ILE 168 Ca 0.05 0.27 -0.30 0.00 1.00 0.00 0.00 62.75 63.78 1poz n ILE 168 Cb 0.44 -2.01 -0.08 0.00 -0.71 0.00 0.00 39.64 37.27 1poz n ILE 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1poz n TYR 169 N -3.71 3.51 -0.96 1.39 0.18 -0.98 -5.09 117.16 111.50 1poz n TYR 169 Ca -0.09 -4.08 -0.34 0.00 1.88 0.00 0.00 57.90 55.27 1poz n TYR 169 Cb 0.32 -0.71 0.10 0.00 -0.38 0.00 0.00 39.34 38.67 1poz n TYR 169 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 1poz n PRO 170 N 1.40 -0.08 -2.87 -3.48 -0.02 -1.19 -4.31 135.00 124.45 1poz n PRO 170 Ca 0.26 0.02 -0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1poz n PRO 170 Cb 0.38 -1.81 0.01 0.00 -0.02 0.00 0.00 33.50 32.06 1poz n PRO 170 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1poz n SER 171 N -0.76 -7.68 -4.21 2.55 7.64 -1.26 -4.97 113.62 104.93 1poz n SER 171 Ca 0.07 0.97 -0.38 0.00 1.01 0.00 0.00 58.87 60.54 1poz n SER 171 Cb 0.52 -4.65 -0.11 0.00 -1.01 0.00 0.00 64.21 58.97 1poz n SER 171 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1poz s ASN 172 N -1.80 5.38 0.41 6.43 -0.87 -1.26 -5.08 114.94 118.14 1poz s ASN 172 Ca 0.09 -1.62 -0.26 0.00 -1.57 0.00 0.00 52.86 49.50 1poz s ASN 172 Cb -0.02 -1.89 -0.10 0.00 -0.02 0.00 0.00 41.25 39.22 1poz s ASN 172 CO 0.69 -0.49 1.36 -2.65 -2.57 0.00 0.00 177.10 173.44 1poz n PRO 173 N 4.76 2.20 0.00 -0.60 -0.02 -1.26 -4.25 135.00 135.83 1poz n PRO 173 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1poz n PRO 173 Cb 0.43 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1poz n PRO 173 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1poz n THR 174 N 0.02 0.00 -4.21 3.45 -1.04 -1.26 -4.91 114.28 106.33 1poz n THR 174 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1poz n THR 174 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1poz n THR 174 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1poz n ASP 175 N 2.92 -2.76 -4.76 8.00 2.03 -1.26 -4.66 116.55 116.07 1poz n ASP 175 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1poz n ASP 175 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1poz n ASP 175 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1poz n ASP 176 N -3.16 3.64 0.04 1.67 9.92 -1.26 -4.91 116.55 122.49 1poz n ASP 176 Ca 0.00 1.21 0.11 0.00 -0.53 0.00 0.00 54.79 55.58 1poz n ASP 176 Cb 0.00 -1.59 -0.02 0.00 -0.64 0.00 0.00 41.12 38.87 1poz n ASP 176 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1poz n ASP 177 N 0.79 0.57 0.00 -2.24 8.00 -1.26 -5.20 116.55 117.21 1poz n ASP 177 Ca 0.03 -0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.56 1poz n ASP 177 Cb 0.38 0.92 0.65 0.00 -0.02 0.00 0.00 41.12 43.05 1poz n ASP 177 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33