#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 0.45 0.08 0.00 1.03 -1.26 -3.00 119.66 116.96 1poz s GLN 21 Ca 0.00 0.78 0.10 0.00 0.04 0.00 0.00 55.36 56.28 1poz s GLN 21 Cb 0.00 0.06 -0.03 0.00 0.03 0.00 0.00 33.01 33.07 1poz s GLN 21 CO 0.00 -0.13 -0.26 0.42 -2.54 0.00 0.00 175.29 172.78 1poz s ILE 22 N 1.12 2.14 -0.37 3.63 1.01 -0.22 -4.91 121.20 123.59 1poz s ILE 22 Ca -0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 60.65 59.00 1poz s ILE 22 Cb -0.07 -1.86 0.07 0.00 0.01 0.00 0.00 42.46 40.61 1poz s ILE 22 CO -0.10 0.23 0.14 -1.81 0.00 0.00 0.00 174.94 173.40 1poz s ASP 23 N -1.60 5.25 -0.79 3.58 1.11 -1.26 -2.20 116.67 120.77 1poz s ASP 23 Ca 0.12 -1.53 -0.11 0.00 0.18 0.00 0.00 52.55 51.21 1poz s ASP 23 Cb -0.10 -1.84 0.21 0.00 1.07 0.00 0.00 42.92 42.26 1poz s ASP 23 CO 0.04 -0.42 0.69 -1.48 1.18 0.00 0.00 175.17 175.18 1poz s LEU 24 N 1.29 6.38 -0.30 1.23 2.34 0.51 -0.19 118.68 129.93 1poz s LEU 24 Ca 0.01 -2.76 -0.29 0.00 0.06 0.00 0.00 54.13 51.15 1poz s LEU 24 Cb -0.21 -2.12 0.02 0.00 -0.56 0.00 0.00 46.19 43.31 1poz s LEU 24 CO -0.01 -0.51 1.07 0.21 -1.06 0.00 0.00 176.35 176.05 1poz s ASN 25 N 1.75 6.96 0.09 1.48 3.84 0.31 -0.25 114.94 129.11 1poz s ASN 25 Ca 0.18 1.11 0.01 0.00 0.21 0.00 0.00 52.86 54.36 1poz s ASN 25 Cb -0.12 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 1poz s ASN 25 CO -0.08 -0.84 0.04 2.30 -2.79 0.00 0.00 177.10 175.73 1poz n ILE 26 N 5.77 0.00 -0.08 -5.21 -5.35 0.46 0.19 119.36 115.14 1poz n ILE 26 Ca 0.12 -0.37 -0.16 0.00 -0.27 0.00 0.00 62.75 62.07 1poz n ILE 26 Cb 0.47 -0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.54 0.94 0.00 7.28 -1.04 0.27 -0.08 114.28 121.12 1poz n THR 27 Ca -0.01 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1poz n THR 27 Cb 0.10 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 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 -1.19 1.54 0.00 0.00 3.00 -0.78 -2.67 118.95 118.85 1poz s ARG 29 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 55.73 53.57 1poz s ARG 29 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 34.95 32.12 1poz s ARG 29 CO 0.00 -1.09 0.00 1.19 0.00 0.00 0.00 175.30 175.40 1poz n PHE 30 N 3.59 0.00 0.00 -0.53 3.01 -0.87 -1.41 117.46 121.24 1poz n PHE 30 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1poz n PHE 30 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1poz n PHE 30 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1poz n ALA 31 N -3.00 0.16 0.00 4.37 0.00 1.02 -3.11 120.51 119.95 1poz n ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 31 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.02 -0.64 3.54 0.00 0.00 -0.10 -2.38 105.19 104.59 1poz n GLY 32 Ca 0.00 0.00 -0.34 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 -0.32 3.91 -0.18 1.61 1.01 -1.26 -1.45 120.40 123.71 1poz s VAL 33 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1poz s VAL 33 Cb 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1poz s VAL 33 CO 0.00 0.53 -0.14 0.12 0.00 0.00 0.00 175.10 175.61 1poz s PHE 34 N -0.03 2.48 -0.31 5.22 2.19 -0.21 -2.05 117.98 125.27 1poz s PHE 34 Ca 0.01 -1.54 -0.25 0.00 0.33 0.00 0.00 56.93 55.48 1poz s PHE 34 Cb -0.13 -1.71 0.01 0.00 -1.31 0.00 0.00 43.02 39.88 1poz s PHE 34 CO 0.03 -0.74 0.87 -1.58 1.83 0.00 0.00 175.22 175.62 1poz s HIS 35 N 1.38 3.18 0.07 10.12 5.65 -1.09 -2.95 115.29 131.65 1poz s HIS 35 Ca 0.02 0.91 -0.00 0.00 0.25 0.00 0.00 55.06 56.24 1poz s HIS 35 Cb -0.15 -3.37 -0.04 0.00 -1.18 0.00 0.00 32.58 27.85 1poz s HIS 35 CO -0.10 -0.63 0.23 0.54 -0.65 0.00 0.00 174.74 174.13 1poz s VAL 36 N 3.17 5.37 -0.06 0.89 0.11 -0.14 0.97 120.40 130.70 1poz s VAL 36 Ca 0.36 -0.37 -0.24 0.00 -2.93 0.00 0.00 61.98 58.80 1poz s VAL 36 Cb -0.14 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.13 1poz s VAL 36 CO 0.13 0.12 0.55 -0.70 -3.33 0.00 0.00 175.10 171.88 1poz s GLU 37 N -2.56 0.89 -0.13 1.54 2.12 0.13 -1.64 118.70 119.05 1poz s GLU 37 Ca 0.35 0.19 -0.13 0.00 0.36 0.00 0.00 54.97 55.74 1poz s GLU 37 Cb -0.13 0.41 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 1poz s GLU 37 CO 0.28 -0.25 0.29 0.21 -0.54 0.00 0.00 175.26 175.24 1poz s LYS 38 N -1.04 4.08 -1.12 4.30 2.47 -1.26 0.11 119.74 127.28 1poz s LYS 38 Ca -0.10 0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.42 1poz s LYS 38 Cb -0.02 -3.36 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 1poz s LYS 38 CO 0.07 0.40 0.00 -1.71 0.16 0.00 0.00 175.35 174.27 1poz n ASN 39 N 3.04 -3.47 0.00 1.43 5.15 0.74 -0.81 115.26 121.34 1poz n ASN 39 Ca -0.13 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1poz n ASN 39 Cb 0.52 -3.10 0.00 0.00 -0.53 0.00 0.00 39.78 36.68 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1poz n GLY 40 N -0.53 0.00 3.10 8.20 0.00 -1.26 -4.86 105.19 109.84 1poz n GLY 40 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1poz n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1poz n ARG 41 N 0.44 0.88 -0.24 1.61 1.85 0.01 -4.98 116.66 116.24 1poz n ARG 41 Ca 0.00 -3.16 0.00 0.00 -1.00 0.00 0.00 57.85 53.69 1poz n ARG 41 Cb 0.30 0.99 0.00 0.00 -1.05 0.00 0.00 32.46 32.70 1poz n ARG 41 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1poz n TYR 42 N -1.04 0.00 1.11 2.89 4.01 -1.26 -3.71 117.16 119.16 1poz n TYR 42 Ca -0.16 -0.53 0.13 0.00 -0.16 0.00 0.00 57.90 57.18 1poz n TYR 42 Cb 0.55 -0.36 0.38 0.00 -0.31 0.00 0.00 39.34 39.60 1poz n TYR 42 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1poz n SER 43 N 1.50 0.53 -4.87 7.72 2.88 -1.25 -1.49 113.62 118.65 1poz n SER 43 Ca 0.00 -0.32 -0.36 0.00 -1.33 0.00 0.00 58.87 56.86 1poz n SER 43 Cb 0.30 0.07 -0.06 0.00 -0.75 0.00 0.00 64.21 63.77 1poz n SER 43 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1poz s ILE 44 N -2.83 5.40 0.00 2.46 1.01 -0.75 -4.80 121.20 121.70 1poz s ILE 44 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1poz s ILE 44 Cb 0.18 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1poz s ILE 44 CO 0.61 0.57 0.00 -0.24 0.00 0.00 0.00 174.94 175.88 1poz n SER 45 N 1.81 0.00 0.05 3.58 2.88 -1.26 0.14 113.62 120.82 1poz n SER 45 Ca -0.18 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.15 1poz n SER 45 Cb 0.54 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.86 1poz n SER 45 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1poz h ARG 46 N 0.00 0.30 0.44 -1.46 2.43 -1.93 -2.91 114.38 111.25 1poz h ARG 46 Ca 0.00 -0.51 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 1poz h ARG 46 Cb 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1poz h ARG 46 CO 0.00 1.25 -0.21 1.15 -1.51 0.00 0.00 179.97 180.64 1poz h THR 47 N -0.34 0.43 0.26 0.20 2.02 -1.99 -2.44 112.91 111.05 1poz h THR 47 Ca -0.17 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1poz h THR 47 Cb 1.68 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 1poz h THR 47 CO 0.14 0.07 -0.37 -0.33 0.37 0.00 0.00 175.52 175.41 1poz h GLU 48 N -0.94 -0.66 0.00 6.66 5.08 -1.95 -2.43 114.58 120.34 1poz h GLU 48 Ca -0.06 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1poz h GLU 48 Cb 0.57 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1poz h GLU 48 CO 0.10 -0.44 0.00 0.00 -1.00 0.00 0.00 179.01 177.67 1poz n ALA 49 N -2.71 -0.15 -0.32 3.43 0.00 -1.10 -1.45 120.51 118.21 1poz n ALA 49 Ca -0.09 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.66 1poz n ALA 49 Cb 0.36 0.27 0.54 0.00 0.00 0.00 0.00 19.45 20.63 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 -2.21 0.99 0.11 0.00 0.00 -0.92 0.72 120.51 119.21 1poz n ALA 50 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 53.44 54.17 1poz n ALA 50 Cb 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 1poz n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1poz h ASP 51 N 0.00 -0.30 0.04 0.00 3.32 -0.73 -2.12 116.42 116.62 1poz h ASP 51 Ca 0.75 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.83 1poz h ASP 51 Cb 2.13 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.79 1poz h ASP 51 CO -0.59 -0.18 -0.02 0.25 -1.72 0.00 0.00 179.24 176.98 1poz h LEU 52 N -0.27 -0.04 -1.63 1.55 6.46 0.69 -0.51 115.31 121.55 1poz h LEU 52 Ca -0.00 -0.65 0.49 0.00 -0.12 0.00 0.00 57.88 57.60 1poz h LEU 52 Cb 0.25 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 40.08 1poz h LEU 52 CO -0.02 0.70 1.06 0.00 -0.62 0.00 0.00 178.44 179.57 1poz n LYS 54 N -4.43 0.67 -0.33 0.00 2.85 -0.80 -2.71 118.16 113.41 1poz n LYS 54 Ca 0.40 0.29 0.18 0.00 -1.05 0.00 0.00 58.31 58.13 1poz n LYS 54 Cb 1.67 -1.78 0.35 0.00 -0.65 0.00 0.00 35.03 34.63 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 0.73 1.40 -1.41 0.58 0.00 0.56 0.13 119.26 121.25 1poz h ALA 55 Ca -0.32 0.30 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 1poz h ALA 55 Cb 2.02 0.48 -0.33 0.00 0.00 0.00 0.00 17.79 19.95 1poz h ALA 55 CO 0.08 -0.63 0.33 1.97 0.00 0.00 0.00 179.25 181.00 1poz n PHE 56 N -5.38 3.23 -3.29 0.00 -1.74 -1.04 0.11 117.46 109.34 1poz n PHE 56 Ca 0.26 -2.87 -0.14 0.00 -0.56 0.00 0.00 57.45 54.14 1poz n PHE 56 Cb 0.85 -0.80 0.01 0.00 1.52 0.00 0.00 39.48 41.06 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 -0.36 -6.15 -3.63 5.98 3.02 0.03 -4.62 115.26 109.53 1poz n ASN 57 Ca 0.45 0.20 -0.10 0.00 -0.03 0.00 0.00 54.58 55.10 1poz n ASN 57 Cb 0.37 -1.57 -0.02 0.00 -0.61 0.00 0.00 39.78 37.95 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 -1.15 -0.41 0.38 6.41 0.01 -1.10 -2.96 113.70 114.87 1poz s SER 58 Ca 0.14 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1poz s SER 58 Cb -0.01 0.65 -0.07 0.00 0.21 0.00 0.00 66.02 66.79 1poz s SER 58 CO 0.31 -1.13 -0.01 0.42 0.41 0.00 0.00 173.24 173.24 1poz s THR 59 N -3.83 1.96 0.74 1.44 -4.23 -1.00 -4.22 115.64 106.50 1poz s THR 59 Ca 0.06 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.35 1poz s THR 59 Cb -0.03 -2.87 -0.08 0.00 1.34 0.00 0.00 72.50 70.87 1poz s THR 59 CO -0.04 -0.06 0.15 0.18 -0.54 0.00 0.00 174.62 174.30 1poz n LEU 60 N -0.88 -1.41 -4.68 4.79 4.32 -1.26 -2.62 117.00 115.27 1poz n LEU 60 Ca -0.05 0.51 -0.42 0.00 -0.02 0.00 0.00 56.01 56.03 1poz n LEU 60 Cb 0.66 -1.06 -0.03 0.00 -1.62 0.00 0.00 43.42 41.38 1poz n LEU 60 CO 0.47 -4.02 1.15 -2.16 -1.22 0.00 0.00 177.39 171.60 1poz s PRO 61 N -2.31 4.25 0.22 3.23 0.04 -1.14 -4.42 135.00 134.87 1poz s PRO 61 Ca 0.59 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.63 1poz s PRO 61 Cb -0.34 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1poz s PRO 61 CO 0.65 -0.65 0.05 0.99 0.04 0.00 0.00 177.00 178.07 1poz s THR 62 N 2.97 3.83 0.46 1.26 2.01 -1.26 -2.99 115.64 121.93 1poz s THR 62 Ca 0.63 -1.57 0.32 0.00 0.31 0.00 0.00 61.69 61.37 1poz s THR 62 Cb -0.29 -3.00 0.34 0.00 0.01 0.00 0.00 72.50 69.56 1poz s THR 62 CO 0.24 -0.26 2.16 0.00 -0.69 0.00 0.00 174.62 176.07 1poz h MET 63 N 2.13 0.00 0.11 4.92 -0.00 -1.99 -0.37 114.93 119.74 1poz h MET 63 Ca -0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.07 1poz h MET 63 Cb 1.23 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.84 1poz h MET 63 CO 0.60 0.06 -0.78 0.00 -0.00 0.00 0.00 176.91 176.79 1poz h ALA 64 N 1.94 -0.04 -0.22 -3.00 0.00 -1.98 -2.55 119.26 113.41 1poz h ALA 64 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1poz h ALA 64 Cb 0.23 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1poz h ALA 64 CO 0.01 0.38 -0.40 1.96 0.00 0.00 0.00 179.25 181.20 1poz h GLN 65 N -0.47 0.50 0.08 0.00 4.20 -1.90 -1.01 115.11 116.50 1poz h GLN 65 Ca -0.15 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1poz h GLN 65 Cb 1.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 1poz h GLN 65 CO 0.11 0.82 -0.04 0.52 -0.67 0.00 0.00 178.83 179.57 1poz h MET 66 N 0.41 -0.10 -0.50 1.46 2.86 -1.20 -2.63 114.93 115.24 1poz h MET 66 Ca 0.04 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1poz h MET 66 Cb 0.88 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1poz h MET 66 CO 0.07 0.41 0.30 0.93 1.06 0.00 0.00 176.91 179.68 1poz h GLU 67 N -0.68 0.67 -0.37 1.72 5.08 -1.49 0.19 114.58 119.71 1poz h GLU 67 Ca -0.01 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1poz h GLU 67 Cb 0.55 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1poz h GLU 67 CO 0.02 0.49 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.29 1poz h LYS 68 N 0.66 0.09 0.00 2.33 3.11 -1.25 0.68 116.57 122.19 1poz h LYS 68 Ca 0.18 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.96 1poz h LYS 68 Cb -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1poz h LYS 68 CO -0.03 0.06 -0.26 0.00 -2.81 0.00 0.00 179.45 176.41 1poz h ALA 69 N 1.33 1.36 -0.01 5.00 0.00 -1.07 -1.18 119.26 124.69 1poz h ALA 69 Ca 0.18 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1poz h ALA 69 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1poz h ALA 69 CO -0.31 0.32 -0.82 -0.07 0.00 0.00 0.00 179.25 178.37 1poz h LEU 70 N 0.00 0.21 0.00 0.00 4.07 0.25 0.53 115.31 120.38 1poz h LEU 70 Ca -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1poz h LEU 70 Cb 0.53 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1poz h LEU 70 CO 0.03 0.94 -0.29 -0.24 -1.08 0.00 0.00 178.44 177.80 1poz n SER 71 N -3.68 0.50 -0.38 -0.43 2.88 0.20 -3.33 113.62 109.39 1poz n SER 71 Ca -0.03 0.24 0.11 0.00 -1.33 0.00 0.00 58.87 57.86 1poz n SER 71 Cb 0.77 -0.21 0.06 0.00 -0.75 0.00 0.00 64.21 64.07 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 -1.85 0.00 0.00 2.46 -6.64 -0.50 -4.96 119.36 107.87 1poz n ILE 72 Ca 0.05 -0.20 0.00 0.00 -1.77 0.00 0.00 62.75 60.84 1poz n ILE 72 Cb 0.39 1.04 0.00 0.00 -1.44 0.00 0.00 39.64 39.63 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 1.42 0.54 3.00 3.28 0.00 -1.02 -4.95 105.19 107.45 1poz n GLY 73 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.02 2.20 -0.00 1.61 5.36 0.18 -4.99 117.98 121.32 1poz s PHE 74 Ca 0.00 -1.31 -0.12 0.00 -0.96 0.00 0.00 56.93 54.54 1poz s PHE 74 Cb 0.00 -1.59 0.01 0.00 -0.34 0.00 0.00 43.02 41.11 1poz s PHE 74 CO 0.00 -0.68 0.24 -1.83 -1.46 0.00 0.00 175.22 171.49 1poz s GLU 75 N 1.47 0.61 -0.00 10.12 -1.05 -1.26 -4.16 118.70 124.43 1poz s GLU 75 Ca 0.03 -0.30 0.01 0.00 -0.15 0.00 0.00 54.97 54.56 1poz s GLU 75 Cb -0.14 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.80 1poz s GLU 75 CO -0.10 -0.16 0.03 0.25 0.95 0.00 0.00 175.26 176.23 1poz n THR 76 N 1.26 0.00 -0.87 1.83 -2.24 -1.26 -4.98 114.28 108.02 1poz n THR 76 Ca -0.22 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1poz n THR 76 Cb 0.56 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.72 2.14 -0.77 0.00 6.06 -1.26 -4.63 118.95 118.77 1poz s ARG 78 Ca 0.00 -2.25 -0.21 0.00 -2.50 0.00 0.00 55.73 50.76 1poz s ARG 78 Cb 0.00 -1.64 0.09 0.00 0.06 0.00 0.00 34.95 33.46 1poz s ARG 78 CO 0.00 -0.28 1.06 0.71 -2.50 0.00 0.00 175.30 174.29 1poz s TYR 79 N -2.80 2.79 -0.18 5.12 2.02 -1.26 -4.45 117.35 118.59 1poz s TYR 79 Ca 0.18 -0.82 -0.09 0.00 -0.37 0.00 0.00 57.07 55.97 1poz s TYR 79 Cb 0.04 -4.33 -0.05 0.00 -0.40 0.00 0.00 41.96 37.22 1poz s TYR 79 CO 0.10 -1.63 0.11 0.20 -1.57 0.00 0.00 175.55 172.76 1poz s GLY 80 N 3.76 2.03 0.24 0.71 0.00 -0.61 -1.81 107.32 111.64 1poz s GLY 80 Ca 0.27 -0.69 -0.31 0.00 0.00 0.00 0.00 44.72 43.99 1poz s GLY 80 CO 0.03 0.00 1.36 0.33 0.00 0.00 0.00 173.10 174.82 1poz n PHE 81 N 3.19 2.04 -1.72 1.90 7.35 0.51 -2.41 117.46 128.33 1poz n PHE 81 Ca -0.17 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 1poz n PHE 81 Cb 0.53 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.93 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1poz n ILE 82 N 1.70 0.00 0.17 -2.13 0.13 0.21 -1.87 119.36 117.55 1poz n ILE 82 Ca 0.11 0.00 0.06 0.00 -1.10 0.00 0.00 62.75 61.82 1poz n ILE 82 Cb 0.31 -0.12 0.32 0.00 -0.84 0.00 0.00 39.64 39.31 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 0.08 0.00 9.51 0.28 -1.16 -3.96 120.64 125.39 1poz n GLU 83 Ca 0.00 0.56 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1poz n GLU 83 Cb 0.00 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 30.75 1poz n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1poz n GLY 84 N -1.27 0.00 3.61 -1.84 0.00 -1.26 -5.00 105.19 99.43 1poz n GLY 84 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.24 -0.12 1.61 3.76 -1.25 -5.14 115.29 113.91 1poz s HIS 85 Ca 0.00 0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.66 1poz s HIS 85 Cb 0.00 0.58 -0.01 0.00 1.11 0.00 0.00 32.58 34.25 1poz s HIS 85 CO 0.00 -0.62 1.07 0.14 -0.85 0.00 0.00 174.74 174.48 1poz s VAL 86 N -3.12 4.61 0.09 -0.90 -7.23 -1.26 0.63 120.40 113.22 1poz s VAL 86 Ca 0.08 1.90 0.01 0.00 -1.81 0.00 0.00 61.98 62.16 1poz s VAL 86 Cb -0.01 -4.22 -0.04 0.00 0.56 0.00 0.00 36.38 32.67 1poz s VAL 86 CO -0.04 -0.04 -0.05 0.68 -0.31 0.00 0.00 175.10 175.34 1poz s VAL 87 N 2.34 0.52 -0.05 1.32 -7.23 -1.01 -2.52 120.40 113.76 1poz s VAL 87 Ca 0.50 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1poz s VAL 87 Cb -0.19 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.09 1poz s VAL 87 CO 0.17 -0.89 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.30 1poz s ILE 88 N -3.74 1.20 0.54 -0.62 1.01 0.52 -1.58 121.20 118.53 1poz s ILE 88 Ca 0.11 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 1poz s ILE 88 Cb 0.06 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1poz s ILE 88 CO -0.06 0.36 1.38 -2.84 0.00 0.00 0.00 174.94 173.78 1poz s PRO 89 N 0.32 3.19 -0.29 2.79 0.02 -1.26 -2.59 135.00 137.19 1poz s PRO 89 Ca -0.08 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.25 1poz s PRO 89 Cb -0.13 -2.31 0.13 0.00 0.02 0.00 0.00 34.50 32.21 1poz s PRO 89 CO 0.03 -1.16 1.06 -2.13 -0.33 0.00 0.00 177.00 174.46 1poz n ARG 90 N -0.93 0.41 0.25 5.54 3.00 -1.25 -4.86 116.66 118.81 1poz n ARG 90 Ca 0.10 -0.82 0.17 0.00 -0.00 0.00 0.00 57.85 57.30 1poz n ARG 90 Cb 0.44 0.02 0.86 0.00 0.00 0.00 0.00 32.46 33.78 1poz n ARG 90 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1poz h ILE 91 N 0.80 0.00 -3.21 5.15 2.10 -1.89 -2.99 117.51 117.47 1poz h ILE 91 Ca -0.44 -0.09 -0.60 0.00 1.08 0.00 0.00 64.86 64.81 1poz h ILE 91 Cb 1.22 0.87 -0.09 0.00 -1.09 0.00 0.00 36.82 37.73 1poz h ILE 91 CO -0.16 0.00 -0.32 -1.00 -1.08 0.00 0.00 178.15 175.59 1poz s HIS 92 N -3.79 3.50 0.60 2.19 3.76 -1.26 -4.97 115.29 115.33 1poz s HIS 92 Ca -0.02 0.64 0.31 0.00 -0.15 0.00 0.00 55.06 55.84 1poz s HIS 92 Cb 0.10 -2.31 1.81 0.00 1.11 0.00 0.00 32.58 33.29 1poz s HIS 92 CO 0.35 0.32 2.20 -1.35 -0.85 0.00 0.00 174.74 175.41 1poz h PRO 93 N 6.31 0.00 -5.97 8.40 0.11 -2.02 -3.35 132.00 135.49 1poz h PRO 93 Ca -0.43 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.03 1poz h PRO 93 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 1poz h PRO 93 CO 0.73 0.00 1.90 1.21 -0.21 0.00 0.00 178.00 181.63 1poz s ASN 94 N -5.86 6.69 -0.16 -2.05 2.47 -1.26 -4.95 114.94 109.83 1poz s ASN 94 Ca -0.05 -2.02 -0.36 0.00 0.42 0.00 0.00 52.86 50.85 1poz s ASN 94 Cb 0.15 -2.58 -0.13 0.00 -1.45 0.00 0.00 41.25 37.24 1poz s ASN 94 CO 0.52 -1.32 1.86 -1.54 -3.72 0.00 0.00 177.10 172.90 1poz n SER 95 N 8.62 3.11 0.00 -4.21 3.41 -1.26 -4.80 113.62 118.50 1poz n SER 95 Ca 0.42 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 60.01 1poz n SER 95 Cb 0.48 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 5.08 0.00 -3.47 -1.33 3.06 -1.26 -4.93 119.36 116.52 1poz n ILE 96 Ca 0.24 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.26 1poz n ILE 96 Cb 0.25 -0.73 0.03 0.00 0.54 0.00 0.00 39.64 39.72 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 -2.02 0.00 -1.00 0.00 0.00 -1.26 -4.30 120.51 111.94 1poz n ALA 98 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1poz n ALA 98 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 5.61 0.50 0.00 0.00 0.00 -1.26 -5.06 120.51 120.30 1poz n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1poz n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1poz n ASN 100 N -1.01 0.00 -4.56 0.00 3.02 -1.26 -4.75 115.26 106.70 1poz n ASN 100 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1poz n ASN 100 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1poz n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1poz n ASN 101 N -1.10 0.43 -4.84 6.41 4.13 -1.26 -4.64 115.26 114.39 1poz n ASN 101 Ca 0.00 0.92 -0.21 0.00 1.68 0.00 0.00 54.58 56.97 1poz n ASN 101 Cb 0.00 -1.29 -0.04 0.00 -1.54 0.00 0.00 39.78 36.91 1poz n ASN 101 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1poz s THR 102 N -1.43 3.40 0.00 3.41 -4.23 -1.26 -4.90 115.64 110.63 1poz s THR 102 Ca 0.67 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1poz s THR 102 Cb -0.52 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1poz s THR 102 CO 0.55 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1poz n GLY 103 N -1.37 -0.53 3.56 3.99 0.00 -1.13 -4.52 105.19 105.19 1poz n GLY 103 Ca -0.01 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 1poz n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1poz s VAL 104 N 0.00 3.43 -0.30 1.61 -7.23 -1.26 -3.95 120.40 112.71 1poz s VAL 104 Ca 0.00 -0.32 -0.27 0.00 -1.81 0.00 0.00 61.98 59.58 1poz s VAL 104 Cb 0.00 -3.98 0.01 0.00 0.56 0.00 0.00 36.38 32.97 1poz s VAL 104 CO 0.00 -0.92 0.94 -0.47 -0.31 0.00 0.00 175.10 174.34 1poz s TYR 105 N 10.11 3.20 0.54 2.82 5.04 -1.07 -4.67 117.35 133.33 1poz s TYR 105 Ca 0.70 1.08 -0.17 0.00 -2.44 0.00 0.00 57.07 56.24 1poz s TYR 105 Cb -0.07 -3.41 -0.06 0.00 0.35 0.00 0.00 41.96 38.76 1poz s TYR 105 CO 0.01 -0.63 1.03 0.42 -1.34 0.00 0.00 175.55 175.03 1poz s ILE 106 N 3.27 4.05 -0.06 3.14 -1.09 -1.22 -0.36 121.20 128.94 1poz s ILE 106 Ca 0.39 1.06 -0.20 0.00 -2.23 0.00 0.00 60.65 59.67 1poz s ILE 106 Cb -0.13 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1poz s ILE 106 CO 0.13 -0.48 0.58 -0.22 -1.23 0.00 0.00 174.94 173.71 1poz s LEU 107 N -4.06 4.34 -0.53 2.97 2.96 -1.05 -4.92 118.68 118.39 1poz s LEU 107 Ca 0.63 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1poz s LEU 107 Cb -0.14 -2.88 0.14 0.00 0.50 0.00 0.00 46.19 43.81 1poz s LEU 107 CO 0.30 0.01 0.32 0.42 -1.32 0.00 0.00 176.35 176.08 1poz s THR 108 N 0.34 3.39 0.00 3.68 -4.23 -1.26 -4.92 115.64 112.63 1poz s THR 108 Ca 0.31 -2.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.16 1poz s THR 108 Cb -0.17 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1poz s THR 108 CO 0.15 -0.79 0.00 -1.20 -0.54 0.00 0.00 174.62 172.24 1poz n SER 109 N 3.87 0.00 -4.74 3.99 7.64 -1.26 -5.14 113.62 117.98 1poz n SER 109 Ca 0.04 -0.73 -0.42 0.00 1.01 0.00 0.00 58.87 58.78 1poz n SER 109 Cb 0.39 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1poz n SER 109 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1poz s ASN 110 N -0.18 6.52 0.13 6.43 -0.87 -1.26 -4.94 114.94 120.76 1poz s ASN 110 Ca 0.00 2.78 -0.31 0.00 -1.57 0.00 0.00 52.86 53.76 1poz s ASN 110 Cb 0.00 -2.62 -0.08 0.00 -0.02 0.00 0.00 41.25 38.53 1poz s ASN 110 CO 0.00 -0.82 1.33 -0.89 -2.57 0.00 0.00 177.10 174.15 1poz s THR 111 N 0.24 3.44 0.00 1.60 2.01 -1.26 -4.86 115.64 116.81 1poz s THR 111 Ca 0.63 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1poz s THR 111 Cb -0.45 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1poz s THR 111 CO 0.42 0.10 0.00 -1.20 -0.69 0.00 0.00 174.62 173.26 1poz n SER 112 N 3.60 0.00 0.00 3.53 7.64 -1.26 -5.14 113.62 121.98 1poz n SER 112 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1poz n SER 112 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.19 -4.88 117.38 115.74 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 -3.02 1.08 4.01 0.38 -4.60 117.16 115.01 1poz n TYR 114 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1poz n TYR 114 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.43 -3.52 7.72 8.00 -0.75 -1.80 116.55 126.63 1poz n ASP 115 Ca 0.00 -1.30 -0.18 0.00 0.71 0.00 0.00 54.79 54.02 1poz n ASP 115 Cb 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 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 0.29 0.00 0.16 -3.53 -1.32 -0.65 -0.36 115.64 110.22 1poz s THR 116 Ca 0.12 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1poz s THR 116 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1poz s THR 116 CO 0.07 0.00 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.06 1poz s TYR 117 N -1.23 2.62 -0.28 9.09 2.02 -0.78 -0.97 117.35 127.82 1poz s TYR 117 Ca -0.11 -0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 1poz s TYR 117 Cb -0.00 -1.31 0.08 0.00 -0.40 0.00 0.00 41.96 40.33 1poz s TYR 117 CO 0.10 0.48 0.68 0.00 -1.57 0.00 0.00 175.55 175.24 1poz s PHE 119 N 1.49 2.87 -0.25 0.00 2.19 -1.08 -1.04 117.98 122.16 1poz s PHE 119 Ca -0.09 0.09 -0.09 0.00 0.33 0.00 0.00 56.93 57.17 1poz s PHE 119 Cb -0.05 -3.95 -0.04 0.00 -1.31 0.00 0.00 43.02 37.67 1poz s PHE 119 CO -0.17 -1.21 0.11 0.54 1.83 0.00 0.00 175.22 176.32 1poz s ASN 120 N 2.57 5.56 0.57 6.13 4.22 -0.53 -2.37 114.94 131.10 1poz s ASN 120 Ca 0.31 -0.08 0.27 0.00 -2.14 0.00 0.00 52.86 51.22 1poz s ASN 120 Cb -0.12 -2.01 1.68 0.00 1.28 0.00 0.00 41.25 42.08 1poz s ASN 120 CO 0.21 -0.00 2.22 0.00 -2.04 0.00 0.00 177.10 177.49 1poz h ALA 121 N 7.99 1.61 0.00 3.54 0.00 -1.74 0.08 119.26 130.74 1poz h ALA 121 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1poz h ALA 121 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1poz h ALA 121 CO 0.59 0.01 0.00 0.77 0.00 0.00 0.00 179.25 180.63 1poz h SER 122 N 0.00 0.00 -3.33 0.00 0.02 -1.82 -3.42 113.55 105.00 1poz h SER 122 Ca -0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1poz h SER 122 Cb 0.03 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1poz h SER 122 CO 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 176.83 175.62 1poz s ALA 123 N -3.53 3.57 0.55 3.77 0.00 0.01 -5.06 121.76 121.08 1poz s ALA 123 Ca -0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.64 1poz s ALA 123 Cb 0.07 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1poz s ALA 123 CO 0.26 0.44 1.29 -2.14 0.00 0.00 0.00 175.76 175.61 1poz s PRO 124 N -1.89 3.15 -1.53 0.00 0.02 -1.26 -4.51 135.00 128.98 1poz s PRO 124 Ca 0.37 2.07 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 1poz s PRO 124 Cb -0.15 -2.18 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 1poz s PRO 124 CO 0.19 -1.13 2.56 -0.35 -0.33 0.00 0.00 177.00 177.95 1poz n PRO 125 N -1.13 3.27 0.00 5.54 -0.04 -1.22 -0.92 135.00 140.50 1poz n PRO 125 Ca 0.11 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1poz n PRO 125 Cb 0.47 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 4.87 0.00 -3.49 0.54 1.02 -1.00 -4.86 120.64 117.72 1poz n GLU 126 Ca 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1poz n GLU 126 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.69 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 0.00 0.37 -0.26 3.49 -1.05 -1.18 0.34 118.70 120.40 1poz s GLU 127 Ca 0.00 0.85 -0.20 0.00 -0.15 0.00 0.00 54.97 55.48 1poz s GLU 127 Cb 0.00 0.44 0.07 0.00 -0.44 0.00 0.00 34.13 34.20 1poz s GLU 127 CO 0.00 -0.11 0.66 0.34 0.95 0.00 0.00 175.26 177.09 1poz s ASP 128 N 2.32 -0.78 -0.27 0.83 -1.08 -0.50 -4.89 116.67 112.29 1poz s ASP 128 Ca -0.04 1.38 0.11 0.00 -0.52 0.00 0.00 52.55 53.48 1poz s ASP 128 Cb -0.07 1.33 0.59 0.00 -1.46 0.00 0.00 42.92 43.31 1poz s ASP 128 CO -0.17 -0.23 1.57 0.00 0.52 0.00 0.00 175.17 176.86 1poz n THR 130 N -0.68 0.57 -1.93 0.00 -1.04 -1.26 -4.70 114.28 105.24 1poz n THR 130 Ca 0.33 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.60 1poz n THR 130 Cb 1.13 -0.13 -0.05 0.00 -1.82 0.00 0.00 70.33 69.45 1poz n THR 130 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1poz s SER 131 N -1.02 4.85 0.00 8.00 1.04 -1.26 -4.88 113.70 120.42 1poz s SER 131 Ca 0.60 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1poz s SER 131 Cb -0.52 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.04 1poz s SER 131 CO 0.63 -2.99 0.00 0.52 0.98 0.00 0.00 173.24 172.38 1poz n VAL 132 N 8.05 0.00 -0.48 5.02 0.31 -1.26 -4.55 118.33 125.42 1poz n VAL 132 Ca 0.40 0.46 -0.01 0.00 -0.01 0.00 0.00 64.34 65.18 1poz n VAL 132 Cb 0.46 -1.03 -0.01 0.00 -0.91 0.00 0.00 33.84 32.36 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1poz n THR 133 N 0.00 0.00 0.00 2.52 5.66 -1.26 -4.70 114.28 116.50 1poz n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1poz n THR 133 Cb 0.00 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1poz n THR 133 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1poz n ASP 134 N 1.65 0.00 -4.36 1.09 5.68 -1.26 -4.89 116.55 114.46 1poz n ASP 134 Ca -0.01 0.03 -0.39 0.00 -0.50 0.00 0.00 54.79 53.92 1poz n ASP 134 Cb 0.12 -0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.00 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1poz n LEU 135 N -1.03 -1.34 0.00 -2.12 7.99 -1.26 -4.73 117.00 114.52 1poz n LEU 135 Ca 0.00 -1.11 0.00 0.00 -0.01 0.00 0.00 56.01 54.89 1poz n LEU 135 Cb 0.00 -1.88 0.00 0.00 -0.11 0.00 0.00 43.42 41.43 1poz n LEU 135 CO 0.00 0.22 0.30 -0.81 -1.51 0.00 0.00 177.39 175.59 1poz n PRO 136 N -4.26 0.00 -0.12 3.23 -0.04 -1.08 -1.55 135.00 131.18 1poz n PRO 136 Ca 0.08 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1poz n PRO 136 Cb 0.48 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.10 1.66 -0.66 3.54 2.85 0.30 -4.88 115.26 116.97 1poz n ASN 137 Ca 0.00 -1.85 0.00 0.00 -0.11 0.00 0.00 54.58 52.62 1poz n ASN 137 Cb 0.00 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 40.86 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 0.36 0.00 -2.48 5.20 0.00 -0.59 -4.70 120.51 118.30 1poz n ALA 138 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 1poz n ALA 138 Cb 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 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 1.57 2.27 0.84 0.00 -0.71 -0.78 -4.98 117.98 116.19 1poz s PHE 139 Ca 0.00 -0.40 -0.11 0.00 -1.04 0.00 0.00 56.93 55.38 1poz s PHE 139 Cb 0.00 -1.08 0.10 0.00 -1.21 0.00 0.00 43.02 40.84 1poz s PHE 139 CO 0.00 0.65 1.16 0.16 -1.34 0.00 0.00 175.22 175.85 1poz s ASP 140 N -3.52 3.49 0.00 1.98 -4.77 -1.26 -0.35 116.67 112.23 1poz s ASP 140 Ca 0.30 2.19 0.00 0.00 -3.30 0.00 0.00 52.55 51.74 1poz s ASP 140 Cb -0.03 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1poz s ASP 140 CO 0.15 -2.73 0.00 0.61 0.70 0.00 0.00 175.17 173.90 1poz n GLY 141 N 0.07 3.69 0.00 2.12 0.00 -1.13 -4.30 105.19 105.64 1poz n GLY 141 Ca 0.12 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.16 0.43 -1.63 1.61 -0.02 -1.23 -1.05 135.00 131.95 1poz n PRO 142 Ca 0.00 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.00 1poz n PRO 142 Cb 0.00 -1.37 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.87 0.50 -2.40 4.25 5.41 -0.43 -4.69 119.36 121.12 1poz n ILE 143 Ca 0.08 -0.18 -0.37 0.00 1.00 0.00 0.00 62.75 63.27 1poz n ILE 143 Cb 0.03 -1.97 -0.03 0.00 -0.71 0.00 0.00 39.64 36.97 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 5.22 3.85 -0.68 1.39 2.01 -1.16 -0.15 115.64 126.12 1poz s THR 144 Ca 0.96 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 1poz s THR 144 Cb -0.65 -4.85 0.04 0.00 0.01 0.00 0.00 72.50 67.05 1poz s THR 144 CO 0.48 -1.66 1.18 -0.63 -0.69 0.00 0.00 174.62 173.31 1poz s ILE 145 N 6.53 3.94 -0.42 1.82 1.01 0.19 -1.06 121.20 133.21 1poz s ILE 145 Ca 0.56 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 1poz s ILE 145 Cb -0.00 -4.81 0.07 0.00 0.01 0.00 0.00 42.46 37.74 1poz s ILE 145 CO 0.01 -1.62 0.26 -0.89 0.00 0.00 0.00 174.94 172.69 1poz s THR 146 N 5.15 4.27 -0.51 2.92 2.01 -0.93 -1.04 115.64 127.51 1poz s THR 146 Ca 0.34 -1.35 -0.26 0.00 0.31 0.00 0.00 61.69 60.73 1poz s THR 146 Cb -0.10 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.85 1poz s THR 146 CO 0.17 -0.48 1.02 0.27 -0.69 0.00 0.00 174.62 174.90 1poz s ILE 147 N 1.44 4.32 -0.56 1.82 -0.00 -0.11 -0.37 121.20 127.74 1poz s ILE 147 Ca 0.03 0.74 -0.17 0.00 -0.00 0.00 0.00 60.65 61.25 1poz s ILE 147 Cb -0.23 -4.55 0.11 0.00 -0.00 0.00 0.00 42.46 37.80 1poz s ILE 147 CO 0.03 -1.03 0.59 0.68 -0.00 0.00 0.00 174.94 175.20 1poz s VAL 148 N 4.16 5.03 0.32 8.37 -7.23 0.65 -1.91 120.40 129.78 1poz s VAL 148 Ca 0.38 -1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 59.08 1poz s VAL 148 Cb -0.10 -4.39 -0.10 0.00 0.56 0.00 0.00 36.38 32.36 1poz s VAL 148 CO 0.25 -0.96 0.95 0.20 -0.31 0.00 0.00 175.10 175.23 1poz s ASN 149 N 3.51 7.36 0.00 4.85 0.02 -0.06 0.17 114.94 130.80 1poz s ASN 149 Ca 0.07 1.85 0.00 0.00 -1.02 0.00 0.00 52.86 53.76 1poz s ASN 149 Cb -0.27 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.42 1poz s ASN 149 CO 0.05 -0.05 0.53 0.54 0.02 0.00 0.00 177.10 178.19 1poz n ARG 150 N 0.64 0.00 -0.59 -0.60 5.12 0.89 -1.19 116.66 120.93 1poz n ARG 150 Ca 0.02 0.04 0.06 0.00 -1.93 0.00 0.00 57.85 56.04 1poz n ARG 150 Cb 0.50 -1.50 0.29 0.00 -1.16 0.00 0.00 32.46 30.59 1poz n ARG 150 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1poz n ASP 151 N -1.03 4.20 -1.40 0.55 2.03 -1.26 -4.88 116.55 114.75 1poz n ASP 151 Ca 0.00 -2.54 -0.10 0.00 0.52 0.00 0.00 54.79 52.68 1poz n ASP 151 Cb 0.00 -0.58 0.01 0.00 -0.72 0.00 0.00 41.12 39.84 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 0.68 0.15 3.45 0.27 0.00 -0.34 -5.04 105.19 104.36 1poz n GLY 152 Ca 0.20 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.77 2.54 -0.18 2.61 -4.23 -1.07 -4.99 115.64 107.55 1poz s THR 153 Ca 0.12 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1poz s THR 153 Cb -0.05 -2.19 0.09 0.00 1.34 0.00 0.00 72.50 71.69 1poz s THR 153 CO 0.15 -0.02 0.27 0.00 -0.54 0.00 0.00 174.62 174.48 1poz s ARG 154 N -2.43 0.21 -0.25 3.99 3.03 -1.26 -0.88 118.95 121.36 1poz s ARG 154 Ca 0.19 0.48 -0.03 0.00 2.03 0.00 0.00 55.73 58.40 1poz s ARG 154 Cb -0.09 -0.62 0.02 0.00 -1.03 0.00 0.00 34.95 33.22 1poz s ARG 154 CO 0.10 -0.51 -0.04 0.71 -1.13 0.00 0.00 175.30 174.42 1poz s TYR 155 N 2.41 3.05 -0.06 5.89 2.02 -0.80 -4.94 117.35 124.91 1poz s TYR 155 Ca 0.06 -1.35 -0.14 0.00 -0.37 0.00 0.00 57.07 55.26 1poz s TYR 155 Cb -0.14 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 1poz s TYR 155 CO -0.11 -0.67 0.36 0.08 -1.57 0.00 0.00 175.55 173.63 1poz s VAL 156 N 1.38 5.16 0.18 0.71 1.01 -1.26 -0.94 120.40 126.64 1poz s VAL 156 Ca 0.02 0.72 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1poz s VAL 156 Cb -0.16 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1poz s VAL 156 CO -0.04 0.51 0.31 0.00 0.00 0.00 0.00 175.10 175.88 1poz s GLN 157 N -0.52 1.23 -0.34 2.72 -2.07 -0.20 -4.97 119.66 115.51 1poz s GLN 157 Ca 0.22 -1.22 -0.01 0.00 -1.82 0.00 0.00 55.36 52.53 1poz s GLN 157 Cb -0.15 0.39 0.08 0.00 -1.09 0.00 0.00 33.01 32.23 1poz s GLN 157 CO 0.10 -0.46 0.06 0.15 -1.32 0.00 0.00 175.29 173.82 1poz s LYS 158 N -3.99 2.14 0.00 9.60 1.02 -1.25 0.55 119.74 127.81 1poz s LYS 158 Ca 0.20 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.66 1poz s LYS 158 Cb 0.03 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1poz s LYS 158 CO 0.02 -0.80 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 1poz n GLY 159 N 4.54 5.33 3.64 -3.33 0.00 0.78 -4.46 105.19 111.70 1poz n GLY 159 Ca -0.07 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 1poz n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1poz s GLU 160 N 4.81 0.38 0.00 1.61 2.02 0.52 -1.32 118.70 126.72 1poz s GLU 160 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1poz s GLU 160 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1poz s GLU 160 CO 0.00 -0.05 0.00 2.48 0.02 0.00 0.00 175.26 177.71 1poz n TYR 161 N 1.95 0.00 -3.26 1.61 4.11 -1.26 -1.86 117.16 118.45 1poz n TYR 161 Ca -0.12 0.00 -0.45 0.00 -0.00 0.00 0.00 57.90 57.34 1poz n TYR 161 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 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 -0.31 3.72 -2.90 -3.48 0.63 -1.26 -4.94 116.66 108.12 1poz n ARG 162 Ca 0.00 -4.45 -0.44 0.00 -0.92 0.00 0.00 57.85 52.04 1poz n ARG 162 Cb 0.00 -2.56 -0.01 0.00 0.45 0.00 0.00 32.46 30.34 1poz n ARG 162 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1poz s THR 163 N -1.47 4.86 -0.43 5.15 -4.23 -1.26 -4.83 115.64 113.42 1poz s THR 163 Ca 0.31 -2.33 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 1poz s THR 163 Cb -0.07 -4.92 0.17 0.00 1.34 0.00 0.00 72.50 69.02 1poz s THR 163 CO -0.04 -1.65 0.50 0.21 -0.54 0.00 0.00 174.62 173.09 1poz s ASN 164 N 3.17 0.19 -0.86 3.99 2.47 -1.26 -5.10 114.94 117.55 1poz s ASN 164 Ca 0.42 -1.93 -0.24 0.00 0.42 0.00 0.00 52.86 51.53 1poz s ASN 164 Cb -0.02 0.84 0.05 0.00 -1.45 0.00 0.00 41.25 40.67 1poz s ASN 164 CO -0.01 -0.17 1.30 -2.16 -3.72 0.00 0.00 177.10 172.34 1poz s PRO 165 N 0.96 3.38 -1.03 0.43 0.04 -1.26 -4.90 135.00 132.61 1poz s PRO 165 Ca 0.25 -0.82 -0.09 0.00 0.04 0.00 0.00 61.00 60.38 1poz s PRO 165 Cb -0.05 -4.74 -0.07 0.00 0.04 0.00 0.00 34.50 29.69 1poz s PRO 165 CO -0.08 -2.10 2.22 0.39 0.04 0.00 0.00 177.00 177.47 1poz n GLU 166 N 8.70 2.29 -1.39 4.56 1.02 -1.26 -3.47 120.64 131.09 1poz n GLU 166 Ca 0.16 -1.69 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 1poz n GLU 166 Cb 0.49 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 1poz n GLU 166 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1poz n ASP 167 N 4.70 -1.42 -0.19 1.62 2.03 -1.26 -3.42 116.55 118.61 1poz n ASP 167 Ca 0.51 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.80 1poz n ASP 167 Cb 0.20 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.17 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 -3.28 0.00 -2.83 5.18 2.08 -1.23 -3.68 119.36 115.61 1poz n ILE 168 Ca 0.00 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.04 1poz n ILE 168 Cb 0.28 -0.78 0.03 0.00 -0.75 0.00 0.00 39.64 38.41 1poz n ILE 168 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1poz n TYR 169 N -1.46 -1.84 1.65 1.39 4.11 -1.22 -4.76 117.16 115.04 1poz n TYR 169 Ca -0.02 0.77 0.00 0.00 -0.00 0.00 0.00 57.90 58.65 1poz n TYR 169 Cb 0.36 -1.28 0.00 0.00 -0.00 0.00 0.00 39.34 38.42 1poz n TYR 169 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1poz n PRO 170 N -0.31 0.84 -1.68 -3.48 -0.04 -1.24 -4.88 135.00 124.21 1poz n PRO 170 Ca -0.08 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.93 1poz n PRO 170 Cb 0.48 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 1poz n PRO 170 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1poz n SER 171 N -0.48 3.00 -4.58 3.54 7.64 -1.26 -4.98 113.62 116.51 1poz n SER 171 Ca 0.00 1.12 -0.34 0.00 1.01 0.00 0.00 58.87 60.65 1poz n SER 171 Cb 0.01 -1.44 -0.11 0.00 -1.01 0.00 0.00 64.21 61.66 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 0.57 5.33 0.24 6.43 -0.87 -1.26 -5.08 114.94 120.30 1poz s ASN 172 Ca 0.72 -0.01 -0.30 0.00 -1.57 0.00 0.00 52.86 51.71 1poz s ASN 172 Cb -0.65 -1.90 -0.10 0.00 -0.02 0.00 0.00 41.25 38.58 1poz s ASN 172 CO 0.44 0.16 1.40 -2.16 -2.57 0.00 0.00 177.10 174.37 1poz s PRO 173 N 0.46 4.30 0.71 -0.60 0.04 -1.26 -5.00 135.00 133.65 1poz s PRO 173 Ca 0.01 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 1poz s PRO 173 Cb -0.13 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1poz s PRO 173 CO 0.01 -0.37 1.07 0.99 0.04 0.00 0.00 177.00 178.75 1poz s THR 174 N -0.03 3.70 0.09 1.26 2.01 -1.26 -4.93 115.64 116.48 1poz s THR 174 Ca 0.58 0.60 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1poz s THR 174 Cb -0.40 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1poz s THR 174 CO 0.42 -0.68 0.00 0.47 -0.69 0.00 0.00 174.62 174.14 1poz n ASP 175 N -3.10 -0.84 -0.87 3.53 8.00 -1.26 -5.01 116.55 116.99 1poz n ASP 175 Ca 0.08 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.66 1poz n ASP 175 Cb 0.53 1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 42.74 1poz n ASP 175 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1poz n ASP 176 N -2.67 -5.62 -0.95 -2.24 9.92 -1.26 -1.74 116.55 111.99 1poz n ASP 176 Ca 0.00 0.28 -0.11 0.00 -0.53 0.00 0.00 54.79 54.43 1poz n ASP 176 Cb 0.00 -4.17 -0.05 0.00 -0.64 0.00 0.00 41.12 36.26 1poz n ASP 176 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1poz n ASP 177 N -1.15 -4.93 0.00 -2.24 -0.08 -1.26 -5.37 116.55 101.52 1poz n ASP 177 Ca -0.11 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1poz n ASP 177 Cb 0.59 -3.84 0.00 0.00 2.34 0.00 0.00 41.12 40.21 1poz n ASP 177 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84