#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 0.82 -0.23 0.00 -2.07 -1.26 -3.07 119.66 113.85 1poz s GLN 21 Ca 0.00 0.64 -0.06 0.00 -1.82 0.00 0.00 55.36 54.12 1poz s GLN 21 Cb 0.00 0.40 0.11 0.00 -1.09 0.00 0.00 33.01 32.43 1poz s GLN 21 CO 0.00 -0.17 0.44 0.42 -1.32 0.00 0.00 175.29 174.66 1poz s ILE 22 N -0.23 -0.69 -0.11 3.63 1.09 -0.36 -4.79 121.20 119.74 1poz s ILE 22 Ca -0.03 0.08 -0.16 0.00 -1.10 0.00 0.00 60.65 59.44 1poz s ILE 22 Cb -0.03 -0.76 -0.05 0.00 -1.06 0.00 0.00 42.46 40.57 1poz s ILE 22 CO 0.02 0.01 0.40 -1.81 -0.10 0.00 0.00 174.94 173.47 1poz s ASP 23 N 2.64 6.62 -0.22 3.58 1.11 -1.26 -2.09 116.67 127.05 1poz s ASP 23 Ca 0.03 0.73 -0.01 0.00 0.18 0.00 0.00 52.55 53.49 1poz s ASP 23 Cb -0.13 -2.24 0.06 0.00 1.07 0.00 0.00 42.92 41.68 1poz s ASP 23 CO -0.15 0.09 -0.01 -0.76 1.18 0.00 0.00 175.17 175.53 1poz s LEU 24 N 0.29 2.00 -0.08 1.23 1.02 0.31 -2.25 118.68 121.19 1poz s LEU 24 Ca 0.22 -1.07 -0.24 0.00 0.02 0.00 0.00 54.13 53.06 1poz s LEU 24 Cb -0.15 -0.92 -0.03 0.00 0.02 0.00 0.00 46.19 45.11 1poz s LEU 24 CO 0.09 -0.28 0.72 0.20 0.02 0.00 0.00 176.35 177.10 1poz s ASN 25 N 1.60 6.99 0.19 2.29 0.01 0.50 -2.16 114.94 124.36 1poz s ASN 25 Ca -0.03 1.20 0.01 0.00 -0.71 0.00 0.00 52.86 53.33 1poz s ASN 25 Cb -0.18 -2.42 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1poz s ASN 25 CO -0.08 -0.15 0.11 2.30 -1.51 0.00 0.00 177.10 177.76 1poz n ILE 26 N 3.90 0.00 -0.11 0.60 -5.35 0.34 0.19 119.36 118.93 1poz n ILE 26 Ca -0.00 -0.80 -0.14 0.00 -0.27 0.00 0.00 62.75 61.53 1poz n ILE 26 Cb 0.51 -0.20 -0.11 0.00 -1.74 0.00 0.00 39.64 38.11 1poz n ILE 26 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1poz n THR 27 N -0.83 1.25 -1.50 7.28 -1.04 0.26 -0.66 114.28 119.05 1poz n THR 27 Ca -0.03 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1poz n THR 27 Cb 0.23 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz n ARG 29 N -0.51 0.87 -1.91 0.00 0.63 -0.50 -2.37 116.66 112.87 1poz n ARG 29 Ca 0.00 -3.66 -0.29 0.00 -0.92 0.00 0.00 57.85 52.97 1poz n ARG 29 Cb 0.00 -1.84 0.14 0.00 0.45 0.00 0.00 32.46 31.21 1poz n ARG 29 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1poz s PHE 30 N -0.68 2.19 0.00 -0.14 0.40 0.81 0.75 117.98 121.31 1poz s PHE 30 Ca 0.31 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 1poz s PHE 30 Cb 0.04 -3.84 0.00 0.00 0.51 0.00 0.00 43.02 39.73 1poz s PHE 30 CO -0.17 -2.28 0.00 0.00 0.70 0.00 0.00 175.22 173.47 1poz n ALA 31 N -3.58 0.00 -1.66 5.36 0.00 0.11 0.06 120.51 120.80 1poz n ALA 31 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.57 1poz n ALA 31 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 0.33 3.31 0.00 0.00 0.77 -2.67 105.19 106.93 1poz n GLY 32 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.32 1.89 -0.08 1.61 1.01 0.11 -0.96 120.40 123.66 1poz s VAL 33 Ca 0.03 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.47 1poz s VAL 33 Cb 0.03 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.78 1poz s VAL 33 CO 0.00 0.09 0.17 0.12 0.00 0.00 0.00 175.10 175.48 1poz s PHE 34 N -1.01 -0.20 -0.24 5.22 5.36 -0.65 -0.14 117.98 126.33 1poz s PHE 34 Ca 0.09 0.62 -0.26 0.00 -0.96 0.00 0.00 56.93 56.41 1poz s PHE 34 Cb -0.10 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.40 1poz s PHE 34 CO 0.04 -0.25 0.92 -1.58 -1.46 0.00 0.00 175.22 172.89 1poz s HIS 35 N 1.99 3.32 0.05 10.12 5.65 -1.00 -2.84 115.29 132.58 1poz s HIS 35 Ca -0.01 1.28 0.00 0.00 0.25 0.00 0.00 55.06 56.59 1poz s HIS 35 Cb -0.12 -3.15 -0.04 0.00 -1.18 0.00 0.00 32.58 28.10 1poz s HIS 35 CO -0.06 -0.44 0.16 0.54 -0.65 0.00 0.00 174.74 174.29 1poz s VAL 36 N 3.00 5.10 0.16 0.89 0.11 0.13 0.92 120.40 130.71 1poz s VAL 36 Ca 0.39 -0.45 -0.23 0.00 -2.93 0.00 0.00 61.98 58.76 1poz s VAL 36 Cb -0.15 -3.45 0.07 0.00 -1.53 0.00 0.00 36.38 31.32 1poz s VAL 36 CO 0.07 0.19 0.59 -0.70 -3.33 0.00 0.00 175.10 171.92 1poz s GLU 37 N -2.30 1.27 0.50 1.54 -6.30 0.13 -1.29 118.70 112.26 1poz s GLU 37 Ca 0.31 -0.49 -0.03 0.00 -2.50 0.00 0.00 54.97 52.26 1poz s GLU 37 Cb -0.13 0.58 -0.00 0.00 0.00 0.00 0.00 34.13 34.58 1poz s GLU 37 CO 0.23 -0.55 0.77 0.15 0.02 0.00 0.00 175.26 175.88 1poz s LYS 38 N -3.75 3.08 -0.86 4.30 1.02 -1.25 0.19 119.74 122.47 1poz s LYS 38 Ca 0.01 -0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 1poz s LYS 38 Cb -0.01 -2.43 -0.18 0.00 -0.52 0.00 0.00 37.83 34.69 1poz s LYS 38 CO -0.13 -0.42 2.62 0.27 -0.92 0.00 0.00 175.35 176.78 1poz n ASN 39 N -2.29 0.83 -3.46 2.83 6.94 -0.96 -1.06 115.26 118.09 1poz n ASN 39 Ca 0.02 -0.02 -0.22 0.00 -0.02 0.00 0.00 54.58 54.34 1poz n ASN 39 Cb 0.57 -1.10 -0.03 0.00 -2.36 0.00 0.00 39.78 36.87 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1poz n GLY 40 N 6.36 -0.46 0.00 4.83 0.00 -1.26 -4.91 105.19 109.75 1poz n GLY 40 Ca 0.58 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1poz n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1poz n ARG 41 N -3.44 1.92 0.00 1.61 0.00 -0.23 -5.01 116.66 111.52 1poz n ARG 41 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1poz n ARG 41 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1poz n ARG 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1poz n TYR 42 N -0.17 0.00 -1.89 -0.14 4.19 -1.26 -4.97 117.16 112.92 1poz n TYR 42 Ca 0.00 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.26 1poz n TYR 42 Cb 0.00 0.00 0.11 0.00 0.49 0.00 0.00 39.34 39.94 1poz n TYR 42 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1poz n SER 43 N 0.00 1.32 -4.78 2.98 3.41 -1.26 0.12 113.62 115.41 1poz n SER 43 Ca 0.00 -2.87 -0.36 0.00 -0.26 0.00 0.00 58.87 55.39 1poz n SER 43 Cb 0.00 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.62 3.51 0.00 -1.33 1.01 -0.61 -4.32 121.20 117.84 1poz s ILE 44 Ca 0.30 1.04 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1poz s ILE 44 Cb 0.31 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1poz s ILE 44 CO -0.08 -0.10 0.00 -1.20 0.00 0.00 0.00 174.94 173.56 1poz n SER 45 N -0.66 1.72 0.23 3.58 7.64 -1.26 -2.95 113.62 121.92 1poz n SER 45 Ca 0.08 -0.64 -0.15 0.00 1.01 0.00 0.00 58.87 59.17 1poz n SER 45 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1poz n SER 45 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1poz h ARG 46 N 0.00 -0.55 0.00 1.43 2.47 -1.96 -2.76 114.38 113.01 1poz h ARG 46 Ca 0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1poz h ARG 46 Cb 0.00 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1poz h ARG 46 CO 0.00 -0.29 0.00 0.25 0.56 0.00 0.00 179.97 180.49 1poz n THR 47 N -5.27 0.00 0.00 2.04 -2.24 -1.26 0.19 114.28 107.74 1poz n THR 47 Ca -0.11 0.66 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 1poz n THR 47 Cb 0.28 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1poz n THR 47 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1poz n GLU 48 N -1.91 0.00 0.00 -0.78 4.07 -1.25 -2.39 120.64 118.38 1poz n GLU 48 Ca 0.00 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.60 1poz n GLU 48 Cb 0.00 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 29.92 1poz n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1poz n ALA 49 N -1.95 -0.08 -0.23 4.31 0.00 -1.00 -1.21 120.51 120.35 1poz n ALA 49 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1poz n ALA 49 Cb 0.00 0.41 0.12 0.00 0.00 0.00 0.00 19.45 19.98 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 50 N -2.80 0.20 -0.08 0.00 0.00 0.51 0.22 120.51 118.56 1poz n ALA 50 Ca 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 53.44 54.09 1poz n ALA 50 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1poz n ALA 50 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1poz h ASP 51 N 0.00 -0.11 0.17 0.00 1.82 -0.79 0.29 116.42 117.80 1poz h ASP 51 Ca 0.34 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 57.04 1poz h ASP 51 Cb 0.57 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1poz h ASP 51 CO -0.66 -0.02 -0.08 0.25 -1.61 0.00 0.00 179.24 177.12 1poz h LEU 52 N 0.10 -0.20 -1.05 2.28 5.85 0.32 0.86 115.31 123.47 1poz h LEU 52 Ca 0.15 0.01 0.39 0.00 0.84 0.00 0.00 57.88 59.26 1poz h LEU 52 Cb 0.19 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.14 1poz h LEU 52 CO -0.24 0.00 0.63 0.00 -0.34 0.00 0.00 178.44 178.49 1poz n LYS 54 N -4.67 0.62 -0.32 0.00 2.85 0.09 -3.95 118.16 112.77 1poz n LYS 54 Ca 0.34 0.25 0.22 0.00 -1.05 0.00 0.00 58.31 58.07 1poz n LYS 54 Cb 1.25 -1.81 0.43 0.00 -0.65 0.00 0.00 35.03 34.26 1poz n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1poz h ALA 55 N 1.29 1.71 -0.84 0.58 0.00 1.55 0.47 119.26 124.02 1poz h ALA 55 Ca -0.20 0.25 -0.67 0.00 0.00 0.00 0.00 54.91 54.30 1poz h ALA 55 Cb 1.72 0.34 -0.24 0.00 0.00 0.00 0.00 17.79 19.61 1poz h ALA 55 CO 0.06 -0.67 0.83 1.97 0.00 0.00 0.00 179.25 181.43 1poz n PHE 56 N -5.25 2.51 -3.35 0.00 -1.74 -1.07 0.62 117.46 109.18 1poz n PHE 56 Ca 0.30 -2.23 -0.24 0.00 -0.56 0.00 0.00 57.45 54.72 1poz n PHE 56 Cb 0.97 -1.26 0.02 0.00 1.52 0.00 0.00 39.48 40.73 1poz n PHE 56 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1poz n ASN 57 N -0.08 -6.05 -3.42 5.98 3.02 0.17 -4.59 115.26 110.28 1poz n ASN 57 Ca 0.52 0.11 -0.15 0.00 -0.03 0.00 0.00 54.58 55.03 1poz n ASN 57 Cb 0.36 -1.95 -0.06 0.00 -0.61 0.00 0.00 39.78 37.53 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1poz s SER 58 N -1.39 0.95 0.22 6.41 0.01 -1.22 -1.95 113.70 116.73 1poz s SER 58 Ca 0.25 -1.50 0.04 0.00 1.31 0.00 0.00 55.95 56.04 1poz s SER 58 Cb -0.03 0.60 -0.05 0.00 0.21 0.00 0.00 66.02 66.76 1poz s SER 58 CO 0.59 -1.18 -0.03 0.42 0.41 0.00 0.00 173.24 173.45 1poz s THR 59 N -3.33 1.11 0.33 1.44 -4.23 -0.87 -4.67 115.64 105.44 1poz s THR 59 Ca 0.33 -2.05 -0.24 0.00 -1.18 0.00 0.00 61.69 58.55 1poz s THR 59 Cb 0.01 -2.27 -0.15 0.00 1.34 0.00 0.00 72.50 71.43 1poz s THR 59 CO 0.20 -0.39 0.36 0.00 -0.54 0.00 0.00 174.62 174.25 1poz n LEU 60 N -0.40 -1.58 -4.59 4.79 -0.00 -1.26 -2.86 117.00 111.10 1poz n LEU 60 Ca -0.06 0.95 -0.45 0.00 -0.00 0.00 0.00 56.01 56.45 1poz n LEU 60 Cb 0.63 -0.97 -0.04 0.00 -0.00 0.00 0.00 43.42 43.04 1poz n LEU 60 CO 0.36 -3.42 1.75 -2.65 -0.00 0.00 0.00 177.39 173.43 1poz n PRO 61 N 1.06 1.97 -3.98 1.47 -0.02 -1.25 -4.61 135.00 129.63 1poz n PRO 61 Ca 0.13 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1poz n PRO 61 Cb 0.35 -2.97 -0.05 0.00 -0.02 0.00 0.00 33.50 30.81 1poz n PRO 61 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1poz s THR 62 N 6.92 5.00 0.60 3.45 2.01 -1.26 0.11 115.64 132.47 1poz s THR 62 Ca 1.00 -0.58 0.31 0.00 0.31 0.00 0.00 61.69 62.72 1poz s THR 62 Cb -0.50 -3.43 0.36 0.00 0.01 0.00 0.00 72.50 68.94 1poz s THR 62 CO 0.41 0.12 2.23 -0.03 -0.69 0.00 0.00 174.62 176.67 1poz h MET 63 N 3.12 0.00 0.08 4.92 4.05 -1.99 0.07 114.93 125.19 1poz h MET 63 Ca -0.46 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 58.82 1poz h MET 63 Cb 1.16 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1poz h MET 63 CO 0.71 0.00 -0.66 0.00 0.23 0.00 0.00 176.91 177.19 1poz h ALA 64 N 1.95 -0.00 -0.66 0.39 0.00 -1.98 -2.54 119.26 116.41 1poz h ALA 64 Ca 0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 1poz h ALA 64 Cb 0.10 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1poz h ALA 64 CO -0.00 0.34 0.09 1.96 0.00 0.00 0.00 179.25 181.64 1poz h GLN 65 N -0.60 1.11 0.08 0.00 4.20 -1.83 0.57 115.11 118.63 1poz h GLN 65 Ca -0.13 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1poz h GLN 65 Cb 1.43 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1poz h GLN 65 CO 0.07 1.02 -0.04 0.52 -0.67 0.00 0.00 178.83 179.73 1poz h MET 66 N 1.03 -0.10 -0.58 1.46 2.86 -1.14 -2.72 114.93 115.74 1poz h MET 66 Ca 0.20 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1poz h MET 66 Cb 0.46 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1poz h MET 66 CO 0.02 0.38 0.25 0.93 1.06 0.00 0.00 176.91 179.54 1poz h GLU 67 N -0.63 0.86 0.00 1.72 5.08 -1.47 0.94 114.58 121.08 1poz h GLU 67 Ca -0.01 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1poz h GLU 67 Cb 0.52 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1poz h GLU 67 CO 0.02 0.72 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.27 1poz h LYS 68 N 0.79 -0.38 0.00 2.33 3.11 -0.95 0.15 116.57 121.62 1poz h LYS 68 Ca 0.20 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1poz h LYS 68 Cb 0.17 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1poz h LYS 68 CO -0.02 -0.26 -0.07 0.00 -2.81 0.00 0.00 179.45 176.30 1poz h ALA 69 N 0.42 1.88 -0.51 5.00 0.00 -1.29 -2.12 119.26 122.65 1poz h ALA 69 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1poz h ALA 69 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1poz h ALA 69 CO -0.22 0.09 0.13 -0.07 0.00 0.00 0.00 179.25 179.17 1poz h LEU 70 N 0.00 0.76 -1.18 0.00 4.07 0.18 0.23 115.31 119.37 1poz h LEU 70 Ca -0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1poz h LEU 70 Cb 0.12 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.66 1poz h LEU 70 CO 0.01 0.79 -0.07 -1.28 -1.08 0.00 0.00 178.44 176.81 1poz h SER 71 N 0.70 0.00 0.66 -0.43 0.87 -0.32 -2.44 113.55 112.59 1poz h SER 71 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1poz h SER 71 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1poz h SER 71 CO 0.00 0.07 -0.29 2.30 -0.53 0.00 0.00 176.83 178.38 1poz n ILE 72 N -3.18 0.00 0.00 2.23 -6.64 -0.92 -4.89 119.36 105.96 1poz n ILE 72 Ca 0.01 -0.01 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1poz n ILE 72 Cb 0.37 -0.04 0.00 0.00 -1.44 0.00 0.00 39.64 38.53 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 1.48 1.00 3.52 3.28 0.00 -0.83 -4.98 105.19 108.66 1poz n GLY 73 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.99 3.18 -0.03 1.61 5.36 0.75 -4.96 117.98 121.91 1poz s PHE 74 Ca 0.00 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1poz s PHE 74 Cb 0.00 -2.82 0.02 0.00 -0.34 0.00 0.00 43.02 39.88 1poz s PHE 74 CO 0.00 -0.58 0.07 -1.83 -1.46 0.00 0.00 175.22 171.41 1poz s GLU 75 N 2.13 0.04 0.00 10.12 4.04 -1.26 -4.32 118.70 129.45 1poz s GLU 75 Ca 0.13 0.17 0.00 0.00 0.04 0.00 0.00 54.97 55.30 1poz s GLU 75 Cb -0.17 -0.09 0.00 0.00 0.02 0.00 0.00 34.13 33.89 1poz s GLU 75 CO 0.13 -0.08 0.00 0.25 -1.84 0.00 0.00 175.26 173.71 1poz n THR 76 N 3.60 0.00 -2.77 1.83 -2.24 -1.26 -5.02 114.28 108.42 1poz n THR 76 Ca -0.19 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 1poz n THR 76 Cb 0.55 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1poz n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz s ARG 78 N -5.42 0.36 -0.28 0.00 0.52 -1.26 -4.97 118.95 107.89 1poz s ARG 78 Ca 0.17 0.86 -0.43 0.00 -0.52 0.00 0.00 55.73 55.81 1poz s ARG 78 Cb -0.08 0.08 -0.18 0.00 0.52 0.00 0.00 34.95 35.29 1poz s ARG 78 CO 0.21 -0.19 1.53 0.66 0.02 0.00 0.00 175.30 177.53 1poz n TYR 79 N 4.66 1.65 -4.58 -0.53 4.01 -1.26 -4.79 117.16 116.32 1poz n TYR 79 Ca -0.18 0.88 -0.22 0.00 -0.16 0.00 0.00 57.90 58.22 1poz n TYR 79 Cb 0.53 -2.29 -0.15 0.00 -0.31 0.00 0.00 39.34 37.12 1poz n TYR 79 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1poz s GLY 80 N 2.42 0.70 0.29 2.72 0.00 0.59 -2.38 107.32 111.66 1poz s GLY 80 Ca 0.98 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.76 1poz s GLY 80 CO 0.69 -0.56 1.42 0.69 0.00 0.00 0.00 173.10 175.33 1poz n PHE 81 N 2.55 2.38 -1.41 1.90 3.72 -0.73 -2.39 117.46 123.49 1poz n PHE 81 Ca -0.15 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1poz n PHE 81 Cb 0.55 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.61 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 1.44 0.00 0.00 4.37 0.13 0.65 -2.17 119.36 123.77 1poz n ILE 82 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.73 1poz n ILE 82 Cb 0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 39.64 39.13 1poz n ILE 82 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 1poz n GLU 83 N 0.00 0.00 0.00 9.51 -0.00 0.12 -3.91 120.64 126.35 1poz n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1poz n GLU 83 Cb 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 31.44 29.99 1poz n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1poz n GLY 84 N -0.91 0.00 3.78 -1.84 0.00 -1.26 -4.88 105.19 100.08 1poz n GLY 84 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1poz n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1poz s HIS 85 N 0.00 -0.20 -0.54 1.61 3.76 -1.26 -5.12 115.29 113.54 1poz s HIS 85 Ca 0.00 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.41 1poz s HIS 85 Cb 0.00 0.65 0.03 0.00 1.11 0.00 0.00 32.58 34.37 1poz s HIS 85 CO 0.00 -1.17 1.14 0.08 -0.85 0.00 0.00 174.74 173.94 1poz s VAL 86 N -3.90 4.13 0.40 -0.90 1.01 -1.26 -0.26 120.40 119.63 1poz s VAL 86 Ca 0.10 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1poz s VAL 86 Cb -0.05 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 1poz s VAL 86 CO 0.04 -1.20 0.10 0.68 0.00 0.00 0.00 175.10 174.73 1poz s VAL 87 N 4.65 0.76 -0.04 2.92 -7.23 -1.01 -2.57 120.40 117.87 1poz s VAL 87 Ca 0.43 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1poz s VAL 87 Cb -0.08 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1poz s VAL 87 CO 0.27 0.00 0.12 -0.63 -0.31 0.00 0.00 175.10 174.55 1poz s ILE 88 N -3.19 0.00 0.00 -0.62 -1.09 0.23 -0.30 121.20 116.23 1poz s ILE 88 Ca 0.24 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1poz s ILE 88 Cb 0.04 -0.19 0.00 0.00 -1.58 0.00 0.00 42.46 40.72 1poz s ILE 88 CO 0.14 -0.02 0.00 -0.81 -1.23 0.00 0.00 174.94 173.02 1poz n PRO 89 N 2.95 0.91 -1.83 2.79 -0.04 -1.26 -2.59 135.00 135.92 1poz n PRO 89 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1poz n PRO 89 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.74 0.11 0.54 1.74 -1.26 -4.10 116.66 112.95 1poz n ARG 90 Ca 0.00 0.99 -0.17 0.00 -0.77 0.00 0.00 57.85 57.90 1poz n ARG 90 Cb 0.00 -2.37 -0.14 0.00 -1.02 0.00 0.00 32.46 28.92 1poz n ARG 90 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1poz h ILE 91 N 0.63 1.47 0.00 0.55 2.10 -1.83 -1.78 117.51 118.64 1poz h ILE 91 Ca 0.00 -3.01 0.00 0.00 1.08 0.00 0.00 64.86 62.93 1poz h ILE 91 Cb 0.14 2.96 0.00 0.00 -1.09 0.00 0.00 36.82 38.84 1poz h ILE 91 CO 0.04 0.88 0.00 1.57 -1.08 0.00 0.00 178.15 179.56 1poz n HIS 92 N -3.56 -1.14 0.48 2.19 -0.00 -1.26 -4.62 115.22 107.31 1poz n HIS 92 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 1poz n HIS 92 Cb 1.04 0.23 0.00 0.00 -0.12 0.00 0.00 29.99 31.14 1poz n HIS 92 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1poz n PRO 93 N -2.19 0.48 0.00 1.57 -0.04 -1.26 -4.41 135.00 129.15 1poz n PRO 93 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1poz n PRO 93 Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1poz n PRO 93 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1poz n ASN 94 N 0.67 0.00 -2.34 3.54 4.05 -1.26 -4.98 115.26 114.94 1poz n ASN 94 Ca 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.90 1poz n ASN 94 Cb 0.22 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.22 1poz n ASN 94 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1poz n SER 95 N 0.00 -3.90 -0.00 1.20 7.64 -1.26 -4.75 113.62 112.55 1poz n SER 95 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1poz n SER 95 Cb 0.00 -3.34 -0.00 0.00 -1.01 0.00 0.00 64.21 59.86 1poz n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1poz n ILE 96 N -3.27 0.00 0.00 0.44 3.06 -1.26 -4.22 119.36 114.11 1poz n ILE 96 Ca -0.15 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.10 1poz n ILE 96 Cb 0.60 0.12 0.00 0.00 0.54 0.00 0.00 39.64 40.90 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1poz n ALA 98 N -1.19 0.00 -3.00 0.00 0.00 -1.26 -5.03 120.51 110.04 1poz n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1poz n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 99 N -1.36 0.00 0.35 0.00 0.00 -1.26 -5.03 120.51 113.21 1poz n ALA 99 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1poz n ALA 99 Cb 0.00 0.00 0.53 0.00 0.00 0.00 0.00 19.45 19.98 1poz n ALA 99 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1poz h ASN 100 N 0.00 0.00 -1.97 0.00 7.08 -1.96 -3.35 115.58 115.38 1poz h ASN 100 Ca 0.00 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.12 1poz h ASN 100 Cb 0.00 0.00 0.05 0.00 -2.08 0.00 0.00 38.32 36.29 1poz h ASN 100 CO 0.00 0.00 0.03 0.59 -2.08 0.00 0.00 177.43 175.97 1poz n ASN 101 N -2.73 -1.26 -0.98 6.14 3.02 -1.26 -4.92 115.26 113.28 1poz n ASN 101 Ca 0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1poz n ASN 101 Cb 0.32 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 -3.08 0.00 -4.72 3.41 -2.24 -1.26 -4.52 114.28 101.87 1poz n THR 102 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1poz n THR 102 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.00 0.62 3.56 3.38 0.00 -0.67 -4.35 105.19 107.73 1poz n GLY 103 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1poz n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1poz s VAL 104 N 0.00 3.41 -0.34 1.61 0.11 -1.26 -4.46 120.40 119.47 1poz s VAL 104 Ca 0.00 -0.26 -0.17 0.00 -2.93 0.00 0.00 61.98 58.62 1poz s VAL 104 Cb 0.00 -3.94 -0.01 0.00 -1.53 0.00 0.00 36.38 30.90 1poz s VAL 104 CO 0.00 -0.89 0.44 -0.47 -3.33 0.00 0.00 175.10 170.85 1poz s TYR 105 N 10.15 3.20 0.19 1.54 6.14 -1.07 -4.81 117.35 132.69 1poz s TYR 105 Ca 0.71 0.11 0.01 0.00 0.64 0.00 0.00 57.07 58.54 1poz s TYR 105 Cb -0.08 -2.80 -0.04 0.00 0.42 0.00 0.00 41.96 39.47 1poz s TYR 105 CO 0.03 -0.48 0.35 0.42 0.64 0.00 0.00 175.55 176.52 1poz s ILE 106 N 2.21 5.26 -0.39 3.14 1.01 -1.24 0.77 121.20 131.96 1poz s ILE 106 Ca 0.16 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 1poz s ILE 106 Cb -0.16 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1poz s ILE 106 CO 0.12 -0.18 0.26 -0.22 0.00 0.00 0.00 174.94 174.93 1poz s LEU 107 N -3.41 4.90 -1.11 2.97 2.96 -1.06 -4.97 118.68 118.95 1poz s LEU 107 Ca 0.36 -0.84 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1poz s LEU 107 Cb -0.11 -2.12 0.28 0.00 0.50 0.00 0.00 46.19 44.75 1poz s LEU 107 CO 0.29 -0.39 1.30 0.35 -1.32 0.00 0.00 176.35 176.58 1poz n THR 108 N 5.11 4.87 -3.64 3.68 -2.24 -1.26 -4.92 114.28 115.87 1poz n THR 108 Ca -0.12 -5.56 -0.07 0.00 -2.27 0.00 0.00 64.05 56.04 1poz n THR 108 Cb 0.47 -2.37 -0.07 0.00 -2.10 0.00 0.00 70.33 66.26 1poz n THR 108 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1poz s SER 109 N 0.10 -0.49 -0.06 3.42 0.15 -1.26 -5.12 113.70 110.44 1poz s SER 109 Ca 0.32 0.88 -0.29 0.00 0.70 0.00 0.00 55.95 57.55 1poz s SER 109 Cb -0.03 1.02 -0.07 0.00 -1.71 0.00 0.00 66.02 65.22 1poz s SER 109 CO 0.00 -0.15 1.99 0.20 1.20 0.00 0.00 173.24 176.48 1poz s ASN 110 N 0.68 6.19 0.04 5.45 0.01 -1.26 -4.89 114.94 121.15 1poz s ASN 110 Ca -0.02 2.35 -0.03 0.00 -0.71 0.00 0.00 52.86 54.46 1poz s ASN 110 Cb -0.05 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1poz s ASN 110 CO -0.10 -1.30 0.14 1.07 -1.51 0.00 0.00 177.10 175.39 1poz n THR 111 N 6.20 0.00 -0.26 1.60 5.66 -1.26 -5.17 114.28 121.05 1poz n THR 111 Ca 0.22 -0.10 -0.05 0.00 -3.05 0.00 0.00 64.05 61.07 1poz n THR 111 Cb 0.43 0.12 0.05 0.00 -1.55 0.00 0.00 70.33 69.38 1poz n THR 111 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1poz n SER 112 N -0.80 -1.92 0.00 1.09 3.41 -1.26 -5.06 113.62 109.07 1poz n SER 112 Ca -0.01 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1poz n SER 112 Cb 0.08 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1poz n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1poz n GLN 113 N -2.45 0.00 -2.96 4.33 1.13 -1.17 -4.93 117.38 111.33 1poz n GLN 113 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1poz n GLN 113 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.46 1poz n GLN 113 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1poz n TYR 114 N 0.00 0.00 -0.03 1.08 4.11 0.12 -4.57 117.16 117.87 1poz n TYR 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1poz n TYR 114 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1poz n ASP 115 N 0.02 -0.00 -3.57 9.48 8.00 -1.00 -1.57 116.55 127.91 1poz n ASP 115 Ca 0.00 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 1poz n ASP 115 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1poz n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1poz s THR 116 N -0.03 0.00 0.37 -3.53 2.01 -0.41 -1.77 115.64 112.28 1poz s THR 116 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1poz s THR 116 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1poz s THR 116 CO 0.00 0.00 0.24 -0.31 -0.69 0.00 0.00 174.62 173.86 1poz s TYR 117 N -0.54 2.73 -0.30 4.92 1.51 -0.92 0.20 117.35 124.94 1poz s TYR 117 Ca -0.06 -0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 55.41 1poz s TYR 117 Cb -0.02 -1.85 0.17 0.00 -0.11 0.00 0.00 41.96 40.14 1poz s TYR 117 CO 0.06 0.17 1.05 0.00 -1.11 0.00 0.00 175.55 175.73 1poz s PHE 119 N 1.77 3.03 -0.17 0.00 2.19 -1.13 -1.63 117.98 122.03 1poz s PHE 119 Ca -0.06 -0.23 -0.21 0.00 0.33 0.00 0.00 56.93 56.77 1poz s PHE 119 Cb -0.04 -3.49 -0.03 0.00 -1.31 0.00 0.00 43.02 38.15 1poz s PHE 119 CO -0.15 -0.98 0.61 0.54 1.83 0.00 0.00 175.22 177.07 1poz s ASN 120 N 2.34 6.71 0.38 6.13 2.20 -0.13 -2.04 114.94 130.52 1poz s ASN 120 Ca 0.21 0.86 0.20 0.00 -0.94 0.00 0.00 52.86 53.19 1poz s ASN 120 Cb -0.16 -2.34 1.07 0.00 -2.00 0.00 0.00 41.25 37.82 1poz s ASN 120 CO 0.16 -0.21 1.56 0.00 -2.94 0.00 0.00 177.10 175.67 1poz h ALA 121 N 7.29 1.13 -0.37 3.54 0.00 -1.63 -0.91 119.26 128.30 1poz h ALA 121 Ca -0.34 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1poz h ALA 121 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1poz h ALA 121 CO 0.77 -0.13 0.17 1.03 0.00 0.00 0.00 179.25 181.09 1poz h SER 122 N 0.00 0.24 -3.42 0.00 0.87 -1.81 -3.40 113.55 106.04 1poz h SER 122 Ca 0.00 0.02 -0.59 0.00 -1.23 0.00 0.00 61.79 59.99 1poz h SER 122 Cb 0.35 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.19 1poz h SER 122 CO 0.00 0.18 0.05 0.00 -0.53 0.00 0.00 176.83 176.53 1poz s ALA 123 N -6.16 3.53 1.00 6.23 0.00 -0.35 -5.08 121.76 120.94 1poz s ALA 123 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1poz s ALA 123 Cb 0.12 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1poz s ALA 123 CO 0.71 -0.45 0.00 -2.30 0.00 0.00 0.00 175.76 173.73 1poz n PRO 124 N 4.78 0.83 -1.29 0.00 -0.02 -1.09 -3.53 135.00 134.67 1poz n PRO 124 Ca -0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.23 1poz n PRO 124 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.92 1poz n PRO 124 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1poz n PRO 125 N -0.13 2.21 0.00 0.52 -0.04 -1.26 -0.17 135.00 136.13 1poz n PRO 125 Ca 0.00 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1poz n PRO 125 Cb 0.00 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1poz n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1poz n GLU 126 N 1.04 0.00 -3.62 0.54 1.02 -1.21 -4.86 120.64 113.56 1poz n GLU 126 Ca 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.55 1poz n GLU 126 Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.01 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1poz s GLU 127 N 0.51 0.17 -0.31 3.49 -1.05 -1.23 0.05 118.70 120.33 1poz s GLU 127 Ca 0.00 -0.07 -0.09 0.00 -0.15 0.00 0.00 54.97 54.66 1poz s GLU 127 Cb 0.00 0.08 0.19 0.00 -0.44 0.00 0.00 34.13 33.95 1poz s GLU 127 CO 0.00 -0.08 1.01 0.34 0.95 0.00 0.00 175.26 177.48 1poz s ASP 128 N -2.21 -0.49 0.00 0.83 2.15 0.23 -4.61 116.67 112.58 1poz s ASP 128 Ca 0.11 -0.07 0.24 0.00 0.43 0.00 0.00 52.55 53.26 1poz s ASP 128 Cb -0.00 1.01 0.22 0.00 -0.30 0.00 0.00 42.92 43.85 1poz s ASP 128 CO -0.04 -0.07 1.25 0.00 -0.17 0.00 0.00 175.17 176.14 1poz n THR 130 N 0.61 0.00 -1.55 0.00 -2.24 -1.26 -4.68 114.28 105.16 1poz n THR 130 Ca 0.12 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.59 1poz n THR 130 Cb 0.51 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1poz n THR 130 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1poz n SER 131 N -3.04 2.10 -1.29 3.42 3.41 -1.26 -4.78 113.62 112.18 1poz n SER 131 Ca 0.09 -0.84 -0.05 0.00 -0.26 0.00 0.00 58.87 57.81 1poz n SER 131 Cb 0.44 -1.60 0.03 0.00 -0.26 0.00 0.00 64.21 62.82 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 8.26 1.54 0.21 -3.33 3.14 -1.26 -4.46 118.33 122.43 1poz n VAL 132 Ca 0.41 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1poz n VAL 132 Cb 0.50 -0.97 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 0.30 0.00 0.00 1.55 5.66 -1.26 -4.41 114.28 116.12 1poz n THR 133 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1poz n THR 133 Cb 0.70 -0.14 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 0.47 -3.05 0.00 0.00 175.07 172.49 1poz n ASP 134 N 0.27 0.00 -1.33 1.09 9.92 -1.26 -4.86 116.55 120.38 1poz n ASP 134 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1poz n ASP 134 Cb 0.04 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.51 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1poz n LEU 135 N 0.00 -1.46 0.00 0.64 4.77 -1.25 -4.87 117.00 114.83 1poz n LEU 135 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1poz n LEU 135 Cb 0.00 -1.93 0.01 0.00 -2.33 0.00 0.00 43.42 39.17 1poz n LEU 135 CO 0.00 -0.21 0.12 -2.65 -1.33 0.00 0.00 177.39 173.32 1poz n PRO 136 N -2.25 0.21 0.02 3.23 -0.02 -0.96 -1.85 135.00 133.38 1poz n PRO 136 Ca -0.14 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.45 1poz n PRO 136 Cb 0.58 -1.02 -0.10 0.00 -0.02 0.00 0.00 33.50 32.94 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1poz n ASN 137 N -0.52 0.36 -3.50 2.55 5.03 0.20 -4.95 115.26 114.43 1poz n ASN 137 Ca 0.00 -0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.38 1poz n ASN 137 Cb 0.00 1.41 0.00 0.00 -1.02 0.00 0.00 39.78 40.17 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1poz n ALA 138 N -2.10 0.00 -2.39 5.41 0.00 -0.77 -4.89 120.51 115.76 1poz n ALA 138 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1poz n ALA 138 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.47 1.92 0.54 0.00 -0.71 -1.16 -4.93 117.98 113.17 1poz s PHE 139 Ca 0.00 -0.49 -0.21 0.00 -1.04 0.00 0.00 56.93 55.19 1poz s PHE 139 Cb 0.00 -0.88 -0.07 0.00 -1.21 0.00 0.00 43.02 40.87 1poz s PHE 139 CO 0.00 0.48 1.02 -0.25 -1.34 0.00 0.00 175.22 175.14 1poz n ASP 140 N -0.47 1.16 0.00 1.98 8.00 -1.26 -1.46 116.55 124.50 1poz n ASP 140 Ca -0.07 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.33 1poz n ASP 140 Cb 0.60 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1poz n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1poz n GLY 141 N 1.19 3.96 0.80 0.44 0.00 -1.12 -4.60 105.19 105.86 1poz n GLY 141 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.25 0.53 -2.42 1.61 -0.02 -1.25 -2.44 135.00 129.76 1poz n PRO 142 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1poz n PRO 142 Cb 0.00 -1.25 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1poz n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1poz s ILE 143 N -0.12 3.70 -1.01 4.25 1.01 -0.86 -4.34 121.20 123.84 1poz s ILE 143 Ca 0.00 0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.89 1poz s ILE 143 Cb 0.00 -4.60 -0.13 0.00 0.01 0.00 0.00 42.46 37.74 1poz s ILE 143 CO 0.00 -1.46 2.09 -0.89 0.00 0.00 0.00 174.94 174.68 1poz s THR 144 N 6.32 3.26 -0.61 2.92 2.01 -1.18 -0.45 115.64 127.92 1poz s THR 144 Ca 0.46 -0.36 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1poz s THR 144 Cb -0.10 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.49 1poz s THR 144 CO 0.20 -0.51 1.21 -0.63 -0.69 0.00 0.00 174.62 174.19 1poz s ILE 145 N 13.34 3.97 0.11 1.82 1.01 0.34 -1.22 121.20 140.56 1poz s ILE 145 Ca 0.78 0.82 -0.06 0.00 0.00 0.00 0.00 60.65 62.18 1poz s ILE 145 Cb -0.06 -4.76 -0.05 0.00 0.01 0.00 0.00 42.46 37.60 1poz s ILE 145 CO 0.10 -1.43 0.36 -0.89 0.00 0.00 0.00 174.94 173.08 1poz s THR 146 N 5.09 5.17 -0.54 2.92 2.01 -0.89 -0.73 115.64 128.67 1poz s THR 146 Ca 0.42 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.59 1poz s THR 146 Cb -0.08 -3.62 0.14 0.00 0.01 0.00 0.00 72.50 68.96 1poz s THR 146 CO 0.24 0.14 0.32 -0.63 -0.69 0.00 0.00 174.62 174.00 1poz s ILE 147 N -1.54 2.25 -0.61 1.82 -1.09 -0.22 -0.53 121.20 121.27 1poz s ILE 147 Ca 0.37 -3.34 -0.26 0.00 -2.23 0.00 0.00 60.65 55.19 1poz s ILE 147 Cb -0.13 -2.54 0.04 0.00 -1.58 0.00 0.00 42.46 38.25 1poz s ILE 147 CO 0.22 -0.90 1.12 -0.69 -1.23 0.00 0.00 174.94 173.46 1poz s VAL 148 N -0.41 4.09 0.38 2.92 1.01 -0.92 -2.33 120.40 125.14 1poz s VAL 148 Ca 0.20 0.52 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 1poz s VAL 148 Cb -0.19 -4.71 -0.11 0.00 0.00 0.00 0.00 36.38 31.38 1poz s VAL 148 CO -0.05 -1.39 0.95 0.20 0.00 0.00 0.00 175.10 174.80 1poz s ASN 149 N 3.15 7.11 0.46 3.32 0.02 0.01 0.13 114.94 129.14 1poz s ASN 149 Ca 0.36 1.75 0.21 0.00 -1.02 0.00 0.00 52.86 54.16 1poz s ASN 149 Cb -0.10 -2.56 1.14 0.00 0.02 0.00 0.00 41.25 39.76 1poz s ASN 149 CO 0.20 -0.24 1.59 0.03 0.02 0.00 0.00 177.10 178.71 1poz h ARG 150 N 2.45 0.00 -0.95 -0.60 2.47 -0.86 0.37 114.38 117.25 1poz h ARG 150 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1poz h ARG 150 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1poz h ARG 150 CO 0.63 0.00 0.00 -3.47 0.56 0.00 0.00 179.97 177.69 1poz n ASP 151 N -2.41 0.95 -1.30 7.04 2.03 -1.26 -4.79 116.55 116.81 1poz n ASP 151 Ca -0.01 -1.94 -0.12 0.00 0.52 0.00 0.00 54.79 53.23 1poz n ASP 151 Cb 0.31 -0.47 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1poz n GLY 152 N 0.02 0.20 3.78 0.27 0.00 0.08 -5.02 105.19 104.54 1poz n GLY 152 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.58 4.18 -0.20 2.61 -4.23 -0.99 -4.96 115.64 109.48 1poz s THR 153 Ca 0.00 -1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 1poz s THR 153 Cb 0.00 -3.27 0.10 0.00 1.34 0.00 0.00 72.50 70.67 1poz s THR 153 CO 0.00 -0.35 0.35 -0.60 -0.54 0.00 0.00 174.62 173.48 1poz s ARG 154 N -3.81 0.27 0.25 3.99 3.52 -1.26 -0.81 118.95 121.11 1poz s ARG 154 Ca 0.33 0.71 0.07 0.00 -0.13 0.00 0.00 55.73 56.71 1poz s ARG 154 Cb -0.07 -0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 1poz s ARG 154 CO 0.24 -0.43 0.20 0.71 -0.81 0.00 0.00 175.30 175.20 1poz s TYR 155 N 2.51 3.11 -0.03 5.12 2.02 -0.99 -4.89 117.35 124.20 1poz s TYR 155 Ca 0.05 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.69 1poz s TYR 155 Cb -0.14 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1poz s TYR 155 CO -0.13 0.52 -0.19 0.54 -1.57 0.00 0.00 175.55 174.72 1poz s VAL 156 N -2.14 1.56 0.18 0.71 0.11 -1.26 -1.05 120.40 118.50 1poz s VAL 156 Ca 0.33 -0.81 -0.10 0.00 -2.93 0.00 0.00 61.98 58.47 1poz s VAL 156 Cb -0.08 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1poz s VAL 156 CO 0.25 0.44 0.32 -1.58 -3.33 0.00 0.00 175.10 171.20 1poz s GLN 157 N -0.19 1.21 -0.24 1.54 0.74 0.09 -4.96 119.66 117.85 1poz s GLN 157 Ca 0.01 -1.16 0.01 0.00 0.05 0.00 0.00 55.36 54.26 1poz s GLN 157 Cb -0.10 0.40 0.06 0.00 1.10 0.00 0.00 33.01 34.47 1poz s GLN 157 CO 0.01 -0.46 -0.03 0.15 -0.55 0.00 0.00 175.29 174.41 1poz s LYS 158 N -3.97 1.50 0.00 1.67 1.02 -1.26 0.12 119.74 118.83 1poz s LYS 158 Ca 0.17 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1poz s LYS 158 Cb 0.03 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1poz s LYS 158 CO 0.01 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 1poz n GLY 159 N 4.69 3.41 3.65 -3.33 0.00 0.40 -4.71 105.19 109.31 1poz n GLY 159 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1poz n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1poz s GLU 160 N 3.30 0.12 0.00 1.61 2.12 -0.53 -2.02 118.70 123.30 1poz s GLU 160 Ca 0.00 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1poz s GLU 160 Cb 0.00 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1poz s GLU 160 CO 0.00 -0.02 0.21 2.48 -0.54 0.00 0.00 175.26 177.38 1poz n TYR 161 N 2.94 0.00 -0.03 5.30 4.11 -1.26 -2.96 117.16 125.25 1poz n TYR 161 Ca -0.16 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.90 57.62 1poz n TYR 161 Cb 0.57 0.24 -0.03 0.00 -0.00 0.00 0.00 39.34 40.12 1poz n TYR 161 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1poz n ARG 162 N 0.00 0.14 -0.97 -3.48 3.00 -1.26 -4.51 116.66 109.58 1poz n ARG 162 Ca -0.04 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1poz n ARG 162 Cb 0.25 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 31.74 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1poz n THR 163 N -2.90 0.00 -3.80 5.15 -1.04 -1.26 -4.87 114.28 105.56 1poz n THR 163 Ca -0.11 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.58 1poz n THR 163 Cb 0.60 -0.97 -0.10 0.00 -1.82 0.00 0.00 70.33 68.04 1poz n THR 163 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1poz s ASN 164 N -1.98 5.25 0.16 8.00 0.02 -1.26 -4.91 114.94 120.21 1poz s ASN 164 Ca 0.00 -3.69 0.09 0.00 -1.02 0.00 0.00 52.86 48.23 1poz s ASN 164 Cb 0.00 -1.75 0.47 0.00 0.02 0.00 0.00 41.25 39.99 1poz s ASN 164 CO 0.00 -0.15 1.20 -2.65 0.02 0.00 0.00 177.10 175.52 1poz n PRO 165 N 2.27 0.06 0.09 -0.60 -0.02 -1.26 -1.47 135.00 134.06 1poz n PRO 165 Ca 0.19 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 1poz n PRO 165 Cb 0.36 -1.80 0.38 0.00 -0.02 0.00 0.00 33.50 32.41 1poz n PRO 165 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1poz n GLU 166 N -1.78 0.10 0.00 -0.52 2.13 -1.26 -1.03 120.64 118.28 1poz n GLU 166 Ca -0.01 0.49 0.14 0.00 0.66 0.00 0.00 57.16 58.44 1poz n GLU 166 Cb 0.13 -1.75 0.55 0.00 0.27 0.00 0.00 31.44 30.63 1poz n GLU 166 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1poz n ASP 167 N -1.95 0.36 -0.08 4.31 2.03 -0.54 -3.56 116.55 117.11 1poz n ASP 167 Ca 0.01 -0.25 -0.14 0.00 0.52 0.00 0.00 54.79 54.93 1poz n ASP 167 Cb 0.10 -0.11 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1poz n ILE 168 N -1.19 0.86 -3.82 5.18 5.41 -0.20 -4.83 119.36 120.77 1poz n ILE 168 Ca 0.11 -0.27 -0.28 0.00 1.00 0.00 0.00 62.75 63.31 1poz n ILE 168 Cb 0.30 -1.39 -0.12 0.00 -0.71 0.00 0.00 39.64 37.73 1poz n ILE 168 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1poz n TYR 169 N -3.34 2.79 -2.40 1.39 4.02 -1.03 -4.94 117.16 113.65 1poz n TYR 169 Ca -0.29 -4.19 -0.42 0.00 -0.01 0.00 0.00 57.90 52.99 1poz n TYR 169 Cb 0.75 -0.52 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 1poz n TYR 169 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1poz s PRO 170 N -1.35 4.45 -0.14 -0.72 0.04 -1.23 -4.74 135.00 131.31 1poz s PRO 170 Ca 0.27 1.81 0.19 0.00 0.04 0.00 0.00 61.00 63.30 1poz s PRO 170 Cb -0.02 -3.31 -0.27 0.00 0.04 0.00 0.00 34.50 30.93 1poz s PRO 170 CO -0.17 -0.21 0.20 0.45 0.04 0.00 0.00 177.00 177.32 1poz n SER 171 N 3.49 0.12 -4.91 6.66 2.88 -1.26 -4.96 113.62 115.64 1poz n SER 171 Ca 0.08 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.30 1poz n SER 171 Cb 0.46 1.32 -0.04 0.00 -0.75 0.00 0.00 64.21 65.19 1poz n SER 171 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1poz s ASN 172 N -5.11 6.39 0.28 -3.46 -0.87 -1.26 -5.06 114.94 105.85 1poz s ASN 172 Ca -0.09 0.35 -0.30 0.00 -1.57 0.00 0.00 52.86 51.25 1poz s ASN 172 Cb 0.08 -2.00 -0.12 0.00 -0.02 0.00 0.00 41.25 39.20 1poz s ASN 172 CO 0.84 0.19 1.54 -2.65 -2.57 0.00 0.00 177.10 174.44 1poz n PRO 173 N 0.50 2.50 0.00 -0.60 -0.02 -1.26 -4.88 135.00 131.24 1poz n PRO 173 Ca -0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1poz n PRO 173 Cb 0.52 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1poz n PRO 173 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1poz n THR 174 N 2.09 0.00 -1.91 3.45 5.66 -1.26 -4.90 114.28 117.41 1poz n THR 174 Ca 0.10 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.67 1poz n THR 174 Cb 0.35 0.02 -0.03 0.00 -1.55 0.00 0.00 70.33 69.12 1poz n THR 174 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1poz s ASP 175 N -0.72 6.59 -1.75 1.09 -1.08 -1.26 -1.92 116.67 117.63 1poz s ASP 175 Ca 0.00 2.47 0.00 0.00 -0.52 0.00 0.00 52.55 54.50 1poz s ASP 175 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1poz s ASP 175 CO 0.00 -0.91 0.00 -0.67 0.52 0.00 0.00 175.17 174.11 1poz n ASP 176 N 6.09 -4.97 -4.68 -0.34 2.03 -1.26 -4.88 116.55 108.53 1poz n ASP 176 Ca 0.17 0.27 -0.42 0.00 0.52 0.00 0.00 54.79 55.32 1poz n ASP 176 Cb 0.41 -4.32 -0.03 0.00 -0.72 0.00 0.00 41.12 36.46 1poz n ASP 176 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1poz s ASP 177 N -2.31 6.55 0.00 1.67 2.15 -0.81 -5.26 116.67 118.67 1poz s ASP 177 Ca 0.00 2.54 0.28 0.00 0.43 0.00 0.00 52.55 55.79 1poz s ASP 177 Cb 0.00 -2.56 0.96 0.00 -0.30 0.00 0.00 42.92 41.03 1poz s ASP 177 CO 0.00 -0.93 1.70 0.52 -0.17 0.00 0.00 175.17 176.28