#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 0.56 0.04 0.00 1.03 -1.26 -3.03 119.66 116.99 1poz s GLN 21 Ca 0.00 1.18 0.08 0.00 0.04 0.00 0.00 55.36 56.66 1poz s GLN 21 Cb 0.00 0.34 -0.03 0.00 0.03 0.00 0.00 33.01 33.35 1poz s GLN 21 CO 0.00 -0.18 -0.23 0.42 -2.54 0.00 0.00 175.29 172.76 1poz s ILE 22 N 2.07 2.41 -0.19 3.63 1.01 -0.56 -4.91 121.20 124.67 1poz s ILE 22 Ca -0.08 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.25 1poz s ILE 22 Cb -0.09 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1poz s ILE 22 CO -0.17 0.37 -0.01 -1.81 0.00 0.00 0.00 174.94 173.31 1poz s ASP 23 N -1.27 4.76 0.49 3.58 1.11 -1.26 -2.52 116.67 121.55 1poz s ASP 23 Ca 0.13 -0.20 0.08 0.00 0.18 0.00 0.00 52.55 52.73 1poz s ASP 23 Cb -0.10 -1.80 0.03 0.00 1.07 0.00 0.00 42.92 42.11 1poz s ASP 23 CO 0.03 0.08 0.55 -0.76 1.18 0.00 0.00 175.17 176.25 1poz s LEU 24 N 0.89 3.26 -0.39 1.23 1.02 0.27 -1.52 118.68 123.44 1poz s LEU 24 Ca 0.00 -0.78 0.08 0.00 0.02 0.00 0.00 54.13 53.45 1poz s LEU 24 Cb -0.14 -1.94 0.18 0.00 0.02 0.00 0.00 46.19 44.31 1poz s LEU 24 CO 0.02 -0.96 0.62 0.21 0.02 0.00 0.00 176.35 176.26 1poz s ASN 25 N -4.37 -1.55 0.48 2.29 3.04 0.23 -2.45 114.94 112.62 1poz s ASN 25 Ca 0.51 -0.65 0.06 0.00 0.04 0.00 0.00 52.86 52.82 1poz s ASN 25 Cb -0.05 1.98 0.06 0.00 -1.54 0.00 0.00 41.25 41.69 1poz s ASN 25 CO 0.31 -0.19 0.53 2.30 -3.04 0.00 0.00 177.10 177.01 1poz n ILE 26 N 4.55 0.00 -0.08 -5.21 -5.35 0.37 0.02 119.36 113.66 1poz n ILE 26 Ca 0.10 -1.76 -0.18 0.00 -0.27 0.00 0.00 62.75 60.65 1poz n ILE 26 Cb 0.57 -0.35 -0.06 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 -1.85 1.02 0.00 7.28 -1.04 0.13 0.51 114.28 120.33 1poz n THR 27 Ca 0.06 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1poz n THR 27 Cb 0.52 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 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 -2.13 3.89 0.05 0.00 3.00 -0.95 -2.89 118.95 119.91 1poz s ARG 29 Ca 0.00 -3.05 -0.30 0.00 0.00 0.00 0.00 55.73 52.38 1poz s ARG 29 Cb 0.00 -4.41 -0.04 0.00 0.00 0.00 0.00 34.95 30.49 1poz s ARG 29 CO 0.00 -1.25 0.97 -0.06 0.00 0.00 0.00 175.30 174.96 1poz s PHE 30 N -0.93 3.73 0.00 -0.53 0.40 0.22 -2.11 117.98 118.75 1poz s PHE 30 Ca 0.27 1.74 0.00 0.00 -0.60 0.00 0.00 56.93 58.34 1poz s PHE 30 Cb -0.10 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1poz s PHE 30 CO -0.09 0.08 0.00 0.00 0.70 0.00 0.00 175.22 175.91 1poz n ALA 31 N 3.40 0.00 0.00 5.36 0.00 1.47 0.31 120.51 131.06 1poz n ALA 31 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1poz n ALA 31 Cb 0.50 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.65 0.99 3.42 0.00 0.00 -0.23 -2.95 105.19 105.77 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 -2.00 3.73 -0.20 1.61 1.01 0.15 -1.32 120.40 123.38 1poz s VAL 33 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1poz s VAL 33 Cb 0.00 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1poz s VAL 33 CO 0.00 0.45 -0.16 0.12 0.00 0.00 0.00 175.10 175.51 1poz s PHE 34 N 0.88 2.90 -0.21 5.22 5.36 -0.11 0.69 117.98 132.71 1poz s PHE 34 Ca -0.00 -1.72 -0.23 0.00 -0.96 0.00 0.00 56.93 54.02 1poz s PHE 34 Cb -0.14 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 1poz s PHE 34 CO 0.01 -0.80 0.73 -1.58 -1.46 0.00 0.00 175.22 172.13 1poz s HIS 35 N 1.27 3.36 0.08 10.12 5.65 -1.14 -2.78 115.29 131.85 1poz s HIS 35 Ca 0.02 1.06 0.03 0.00 0.25 0.00 0.00 55.06 56.42 1poz s HIS 35 Cb -0.15 -2.92 -0.04 0.00 -1.18 0.00 0.00 32.58 28.29 1poz s HIS 35 CO -0.10 -0.26 0.08 0.54 -0.65 0.00 0.00 174.74 174.35 1poz s VAL 36 N 2.25 4.52 0.17 0.89 0.11 -0.42 0.17 120.40 128.10 1poz s VAL 36 Ca 0.33 -0.79 -0.12 0.00 -2.93 0.00 0.00 61.98 58.47 1poz s VAL 36 Cb -0.16 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1poz s VAL 36 CO 0.10 0.11 0.37 -0.70 -3.33 0.00 0.00 175.10 171.65 1poz s GLU 37 N -2.42 1.23 0.62 1.54 2.12 0.10 -1.78 118.70 120.11 1poz s GLU 37 Ca 0.29 -1.06 -0.12 0.00 0.36 0.00 0.00 54.97 54.45 1poz s GLU 37 Cb -0.12 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 1poz s GLU 37 CO 0.22 -0.48 1.03 0.21 -0.54 0.00 0.00 175.26 175.70 1poz s LYS 38 N -3.93 3.55 -0.78 4.30 2.47 -1.24 0.78 119.74 124.88 1poz s LYS 38 Ca 0.14 0.81 -0.28 0.00 -1.56 0.00 0.00 55.97 55.08 1poz s LYS 38 Cb 0.02 -2.07 -0.16 0.00 -1.46 0.00 0.00 37.83 34.16 1poz s LYS 38 CO -0.01 -0.61 2.56 0.27 0.16 0.00 0.00 175.35 177.72 1poz n ASN 39 N -2.66 1.14 -3.39 1.43 0.23 -0.58 -1.44 115.26 109.99 1poz n ASN 39 Ca 0.06 -0.17 -0.21 0.00 -0.53 0.00 0.00 54.58 53.73 1poz n ASN 39 Cb 0.54 -1.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.00 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1poz n GLY 40 N 6.27 -0.47 3.32 4.83 0.00 -1.26 -4.88 105.19 113.01 1poz n GLY 40 Ca 0.53 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 46.42 1poz n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1poz s ARG 41 N -6.01 1.64 0.00 1.61 1.81 -0.52 -5.04 118.95 112.44 1poz s ARG 41 Ca 0.38 -1.94 0.03 0.00 -1.72 0.00 0.00 55.73 52.48 1poz s ARG 41 Cb -0.22 0.04 0.02 0.00 -0.45 0.00 0.00 34.95 34.35 1poz s ARG 41 CO 0.47 -0.52 0.57 0.66 -0.68 0.00 0.00 175.30 175.80 1poz n TYR 42 N -0.60 0.00 0.00 -0.53 4.01 -1.26 -3.59 117.16 115.19 1poz n TYR 42 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1poz n TYR 42 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1poz n TYR 42 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1poz n SER 43 N 0.10 0.00 -4.78 7.72 7.64 -1.26 0.36 113.62 123.41 1poz n SER 43 Ca 0.02 0.05 -0.37 0.00 1.01 0.00 0.00 58.87 59.58 1poz n SER 43 Cb 0.07 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1poz n SER 43 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1poz s ILE 44 N -1.76 4.02 0.00 0.44 1.01 -0.67 -4.82 121.20 119.41 1poz s ILE 44 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.28 1poz s ILE 44 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1poz s ILE 44 CO 0.00 0.08 0.00 -1.54 0.00 0.00 0.00 174.94 173.48 1poz n SER 45 N 0.32 1.91 0.08 3.58 3.41 -1.26 -2.58 113.62 119.08 1poz n SER 45 Ca 0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.42 1poz n SER 45 Cb 0.50 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.59 0.18 4.33 2.43 -1.94 -2.99 114.38 116.98 1poz h ARG 46 Ca 0.00 -0.78 -0.01 0.00 -0.81 0.00 0.00 59.98 58.38 1poz h ARG 46 Cb 0.00 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1poz h ARG 46 CO 0.00 1.35 -0.09 1.15 -1.51 0.00 0.00 179.97 180.87 1poz h THR 47 N 0.20 0.74 0.03 0.20 2.02 -1.96 -2.41 112.91 111.73 1poz h THR 47 Ca -0.18 -1.08 0.02 0.00 0.77 0.00 0.00 66.41 65.94 1poz h THR 47 Cb 1.85 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 69.46 1poz h THR 47 CO 0.22 0.19 -0.49 -0.33 0.37 0.00 0.00 175.52 175.49 1poz h GLU 48 N -0.90 -0.61 0.05 6.66 4.39 -1.88 -2.79 114.58 119.50 1poz h GLU 48 Ca -0.03 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1poz h GLU 48 Cb 0.51 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1poz h GLU 48 CO 0.04 -0.41 -0.29 0.00 -1.16 0.00 0.00 179.01 177.19 1poz h ALA 49 N -0.56 -0.79 -0.33 3.43 0.00 -1.66 -2.44 119.26 116.91 1poz h ALA 49 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1poz h ALA 49 Cb 0.67 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1poz h ALA 49 CO -0.31 -0.86 -0.16 0.00 0.00 0.00 0.00 179.25 177.92 1poz n ALA 50 N -2.73 -0.12 0.42 0.00 0.00 -0.91 0.29 120.51 117.46 1poz n ALA 50 Ca -0.05 0.31 -0.16 0.00 0.00 0.00 0.00 53.44 53.54 1poz n ALA 50 Cb 0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.90 0.31 0.00 3.32 -1.21 -2.25 116.42 115.69 1poz h ASP 51 Ca 0.09 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1poz h ASP 51 Cb 0.17 0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1poz h ASP 51 CO -0.32 -0.64 -0.15 0.25 -1.72 0.00 0.00 179.24 176.66 1poz h LEU 52 N -1.07 -0.35 -0.74 1.55 5.85 0.53 0.99 115.31 122.07 1poz h LEU 52 Ca -0.11 0.01 0.29 0.00 0.84 0.00 0.00 57.88 58.92 1poz h LEU 52 Cb 0.81 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.80 1poz h LEU 52 CO 0.18 -0.14 0.34 0.00 -0.34 0.00 0.00 178.44 178.47 1poz h LYS 54 N 0.00 0.00 -1.00 0.00 2.10 -1.40 -3.30 116.57 112.98 1poz h LYS 54 Ca 0.60 0.00 0.36 0.00 -2.00 0.00 0.00 60.65 59.61 1poz h LYS 54 Cb 1.55 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.72 1poz h LYS 54 CO -0.59 0.34 0.52 0.00 -2.00 0.00 0.00 179.45 177.73 1poz h ALA 55 N 1.32 2.00 -1.47 0.07 0.00 1.65 0.12 119.26 122.95 1poz h ALA 55 Ca -0.19 0.23 -0.73 0.00 0.00 0.00 0.00 54.91 54.22 1poz h ALA 55 Cb 1.68 0.26 -0.32 0.00 0.00 0.00 0.00 17.79 19.42 1poz h ALA 55 CO 0.05 -0.75 0.52 1.97 0.00 0.00 0.00 179.25 181.04 1poz n PHE 56 N -5.17 3.16 -2.71 0.00 -1.74 -1.05 0.91 117.46 110.86 1poz n PHE 56 Ca 0.34 -2.89 -0.21 0.00 -0.56 0.00 0.00 57.45 54.13 1poz n PHE 56 Cb 1.11 -0.94 0.02 0.00 1.52 0.00 0.00 39.48 41.19 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 -0.22 -4.16 -3.96 5.98 0.23 0.40 -4.60 115.26 108.92 1poz n ASN 57 Ca 0.44 -0.01 -0.09 0.00 -0.53 0.00 0.00 54.58 54.39 1poz n ASN 57 Cb 0.32 -1.14 -0.07 0.00 -2.08 0.00 0.00 39.78 36.80 1poz n ASN 57 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1poz s SER 58 N -0.95 0.08 0.10 0.53 0.15 -1.24 -1.99 113.70 110.37 1poz s SER 58 Ca 0.20 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 56.00 1poz s SER 58 Cb -0.02 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1poz s SER 58 CO 0.45 -0.85 0.05 0.35 1.20 0.00 0.00 173.24 174.44 1poz n THR 59 N -0.18 0.00 -2.32 6.45 -2.24 -0.71 -4.51 114.28 110.78 1poz n THR 59 Ca -0.08 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 1poz n THR 59 Cb 0.63 0.25 0.04 0.00 -2.10 0.00 0.00 70.33 69.15 1poz n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1poz n LEU 60 N 0.00 3.50 0.00 3.22 4.77 -1.26 -2.78 117.00 124.44 1poz n LEU 60 Ca -0.00 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 51.97 1poz n LEU 60 Cb 0.16 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1poz n LEU 60 CO 0.08 1.64 0.25 -2.65 -1.33 0.00 0.00 177.39 175.38 1poz n PRO 61 N -0.65 0.00 -3.04 3.23 -0.02 -1.26 -4.67 135.00 128.59 1poz n PRO 61 Ca 0.28 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1poz n PRO 61 Cb 0.90 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 1poz n PRO 61 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1poz n THR 62 N -1.38 0.00 0.32 3.45 -2.24 -1.26 -4.94 114.28 108.24 1poz n THR 62 Ca 0.00 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.98 1poz n THR 62 Cb 0.00 0.00 1.11 0.00 -2.10 0.00 0.00 70.33 69.34 1poz n THR 62 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1poz h MET 63 N 0.00 0.00 -0.90 -0.78 2.86 -1.96 -1.75 114.93 112.40 1poz h MET 63 Ca 0.00 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 1poz h MET 63 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1poz h MET 63 CO 0.00 0.00 0.59 0.00 1.06 0.00 0.00 176.91 178.56 1poz h ALA 64 N 2.00 2.04 0.09 6.32 0.00 -1.98 1.33 119.26 129.05 1poz h ALA 64 Ca -0.00 0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1poz h ALA 64 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1poz h ALA 64 CO 0.00 -0.32 -1.93 0.00 0.00 0.00 0.00 179.25 177.00 1poz n GLN 65 N -4.55 0.73 0.29 0.00 10.64 -0.68 -2.38 117.38 121.43 1poz n GLN 65 Ca 0.19 0.27 0.19 0.00 -1.83 0.00 0.00 57.00 55.82 1poz n GLN 65 Cb 0.61 -1.73 0.91 0.00 -0.86 0.00 0.00 30.24 29.17 1poz n GLN 65 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 1poz h MET 66 N 0.05 0.00 0.01 2.61 2.86 -0.98 -2.49 114.93 116.99 1poz h MET 66 Ca -0.39 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 56.95 1poz h MET 66 Cb 2.03 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.65 1poz h MET 66 CO 0.09 0.00 -1.62 0.39 1.06 0.00 0.00 176.91 176.83 1poz n GLU 67 N -3.00 0.59 -0.37 1.72 1.02 0.44 -1.81 120.64 119.23 1poz n GLU 67 Ca -0.01 0.48 0.35 0.00 -0.02 0.00 0.00 57.16 57.96 1poz n GLU 67 Cb 0.19 -1.69 0.71 0.00 -0.02 0.00 0.00 31.44 30.63 1poz n GLU 67 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1poz h LYS 68 N -0.90 0.08 0.12 3.49 3.11 -1.28 0.92 116.57 122.11 1poz h LYS 68 Ca -0.44 -0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.04 1poz h LYS 68 Cb 1.44 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.63 1poz h LYS 68 CO -0.23 0.05 -1.96 0.00 -2.81 0.00 0.00 179.45 174.50 1poz n ALA 69 N -2.71 0.94 0.22 5.00 0.00 -0.95 -3.93 120.51 119.07 1poz n ALA 69 Ca 0.28 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1poz n ALA 69 Cb 1.27 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 1poz n ALA 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1poz h LEU 70 N 0.07 -0.51 0.00 0.00 8.10 0.73 -2.45 115.31 121.25 1poz h LEU 70 Ca -0.41 0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.60 1poz h LEU 70 Cb 2.04 0.13 0.00 0.00 -0.44 0.00 0.00 40.66 42.39 1poz h LEU 70 CO 0.09 -0.23 0.09 -0.24 -4.11 0.00 0.00 178.44 174.05 1poz n SER 71 N -4.38 0.00 -0.91 0.17 2.88 0.27 0.11 113.62 111.76 1poz n SER 71 Ca -0.07 0.29 0.08 0.00 -1.33 0.00 0.00 58.87 57.84 1poz n SER 71 Cb 0.24 -0.29 0.26 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.26 2.17 -1.08 2.46 -6.64 -1.14 -4.97 119.36 108.89 1poz n ILE 72 Ca 0.00 -1.76 0.00 0.00 -1.77 0.00 0.00 62.75 59.22 1poz n ILE 72 Cb 0.09 -0.17 0.00 0.00 -1.44 0.00 0.00 39.64 38.12 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 -0.34 0.42 3.46 3.28 0.00 0.12 -4.96 105.19 107.17 1poz n GLY 73 Ca 0.21 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.72 -0.93 -0.09 1.61 5.36 -0.94 -4.94 117.98 115.33 1poz s PHE 74 Ca 0.00 1.80 -0.30 0.00 -0.96 0.00 0.00 56.93 57.47 1poz s PHE 74 Cb 0.00 0.50 0.12 0.00 -0.34 0.00 0.00 43.02 43.29 1poz s PHE 74 CO 0.00 -0.49 0.98 -1.83 -1.46 0.00 0.00 175.22 172.42 1poz s GLU 75 N 2.02 0.65 -0.15 10.12 4.04 -1.26 -3.94 118.70 130.17 1poz s GLU 75 Ca -0.07 -0.13 0.00 0.00 0.04 0.00 0.00 54.97 54.81 1poz s GLU 75 Cb -0.09 0.30 0.02 0.00 0.02 0.00 0.00 34.13 34.39 1poz s GLU 75 CO -0.16 -0.26 -0.14 0.95 -1.84 0.00 0.00 175.26 173.81 1poz s THR 76 N -2.38 1.60 -0.90 1.83 -4.23 -1.26 -4.99 115.64 105.31 1poz s THR 76 Ca 0.04 -0.68 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 1poz s THR 76 Cb -0.01 -1.51 -0.15 0.00 1.34 0.00 0.00 72.50 72.17 1poz s THR 76 CO -0.05 0.43 3.07 0.00 -0.54 0.00 0.00 174.62 177.53 1poz n ARG 78 N 3.21 0.00 -2.90 0.00 1.74 -1.26 -5.03 116.66 112.42 1poz n ARG 78 Ca 0.60 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.56 1poz n ARG 78 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1poz n ARG 78 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1poz n TYR 79 N 0.00 -2.72 -2.79 -1.55 4.01 -1.26 -4.81 117.16 108.04 1poz n TYR 79 Ca 0.00 -2.12 -0.43 0.00 -0.16 0.00 0.00 57.90 55.19 1poz n TYR 79 Cb 0.00 1.07 -0.04 0.00 -0.31 0.00 0.00 39.34 40.07 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 -0.65 1.53 0.21 2.72 0.00 0.93 0.03 107.32 112.08 1poz s GLY 80 Ca 0.32 -0.50 -0.32 0.00 0.00 0.00 0.00 44.72 44.22 1poz s GLY 80 CO -0.16 2.05 1.21 0.33 0.00 0.00 0.00 173.10 176.53 1poz n PHE 81 N 6.92 1.54 -1.84 1.90 7.35 -0.76 -1.87 117.46 130.70 1poz n PHE 81 Ca 0.07 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.38 1poz n PHE 81 Cb 0.48 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 37.98 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 1.43 0.00 0.13 -2.13 0.13 0.14 -0.25 119.36 118.81 1poz n ILE 82 Ca 0.13 0.00 0.04 0.00 -1.10 0.00 0.00 62.75 61.82 1poz n ILE 82 Cb 0.28 -0.80 0.22 0.00 -0.84 0.00 0.00 39.64 38.50 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 0.06 0.00 9.51 -0.00 -1.26 -3.75 120.64 125.19 1poz n GLU 83 Ca 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 57.16 57.64 1poz n GLU 83 Cb 0.00 -2.04 0.00 0.00 -0.00 0.00 0.00 31.44 29.40 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 -1.26 0.00 3.64 -1.84 0.00 -1.26 -4.98 105.19 99.49 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 -0.51 -0.32 1.61 3.76 -1.25 -5.11 115.29 113.47 1poz s HIS 85 Ca 0.00 1.14 -0.27 0.00 -0.15 0.00 0.00 55.06 55.78 1poz s HIS 85 Cb 0.00 0.37 -0.06 0.00 1.11 0.00 0.00 32.58 34.00 1poz s HIS 85 CO 0.00 -0.25 2.28 0.54 -0.85 0.00 0.00 174.74 176.46 1poz s VAL 86 N 0.70 3.02 0.27 -0.90 0.11 -1.26 0.29 120.40 122.62 1poz s VAL 86 Ca -0.02 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1poz s VAL 86 Cb -0.04 -3.03 -0.04 0.00 -1.53 0.00 0.00 36.38 31.73 1poz s VAL 86 CO -0.10 -0.02 0.15 0.68 -3.33 0.00 0.00 175.10 172.48 1poz s VAL 87 N 9.74 0.21 -0.16 2.04 -7.23 -0.78 -2.16 120.40 122.06 1poz s VAL 87 Ca 0.99 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 59.09 1poz s VAL 87 Cb -0.27 -2.53 0.07 0.00 0.56 0.00 0.00 36.38 34.21 1poz s VAL 87 CO 0.32 0.00 0.35 0.27 -0.31 0.00 0.00 175.10 175.73 1poz s ILE 88 N -3.79 -0.28 0.85 -0.62 -4.36 -0.32 -0.05 121.20 112.62 1poz s ILE 88 Ca 0.38 0.16 -0.14 0.00 -0.26 0.00 0.00 60.65 60.79 1poz s ILE 88 Cb 0.06 -0.55 0.22 0.00 1.25 0.00 0.00 42.46 43.43 1poz s ILE 88 CO 0.16 0.07 0.60 -2.65 0.24 0.00 0.00 174.94 173.36 1poz n PRO 89 N 4.80 -3.19 0.00 0.37 -0.02 -1.18 -2.49 135.00 133.28 1poz n PRO 89 Ca -0.16 -0.98 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 1poz n PRO 89 Cb 0.52 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1poz n PRO 89 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1poz n ARG 90 N -4.04 0.00 0.00 -0.52 5.12 -1.26 -4.64 116.66 111.32 1poz n ARG 90 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1poz n ARG 90 Cb 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 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 0.00 0.00 -2.60 0.55 5.41 -1.26 -4.69 119.36 116.77 1poz n ILE 91 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 1poz n ILE 91 Cb 0.22 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.10 1poz n ILE 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1poz s HIS 92 N 0.00 3.30 -0.56 1.39 3.76 -1.26 -4.79 115.29 117.12 1poz s HIS 92 Ca 0.00 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 1poz s HIS 92 Cb 0.00 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.82 1poz s HIS 92 CO 0.00 -0.35 0.48 -0.35 -0.85 0.00 0.00 174.74 173.67 1poz n PRO 93 N -1.07 0.66 0.11 8.40 -0.04 -1.26 -3.57 135.00 138.22 1poz n PRO 93 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 1poz n PRO 93 Cb 0.54 -1.26 -0.14 0.00 -0.04 0.00 0.00 33.50 32.60 1poz n PRO 93 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1poz h ASN 94 N 0.49 0.45 -5.65 3.54 -1.24 -1.91 -3.48 115.58 107.77 1poz h ASN 94 Ca 0.00 -0.48 -0.11 0.00 0.71 0.00 0.00 56.30 56.42 1poz h ASN 94 Cb 0.48 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.38 1poz h ASN 94 CO 0.00 1.38 -0.42 -1.20 -1.29 0.00 0.00 177.43 175.90 1poz n SER 95 N -3.54 -7.22 -0.00 1.15 7.64 -1.23 -4.94 113.62 105.47 1poz n SER 95 Ca -0.09 -0.02 0.10 0.00 1.01 0.00 0.00 58.87 59.87 1poz n SER 95 Cb 1.03 -4.48 -0.13 0.00 -1.01 0.00 0.00 64.21 59.61 1poz n SER 95 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1poz n ILE 96 N -1.31 0.00 0.00 0.44 5.41 -1.26 -4.05 119.36 118.60 1poz n ILE 96 Ca -0.02 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1poz n ILE 96 Cb 0.53 0.73 0.00 0.00 -0.71 0.00 0.00 39.64 40.20 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1poz h ALA 98 N -2.00 0.80 -2.46 0.00 0.00 -1.92 -3.50 119.26 110.18 1poz h ALA 98 Ca 0.00 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 54.84 1poz h ALA 98 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1poz h ALA 98 CO 0.00 0.38 -0.27 0.00 0.00 0.00 0.00 179.25 179.36 1poz n ALA 99 N -2.18 -2.08 -1.12 0.00 0.00 -1.26 -4.80 120.51 109.08 1poz n ALA 99 Ca 0.03 0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 1poz n ALA 99 Cb 0.66 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 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 -3.80 -5.80 -3.61 0.00 5.03 -1.26 -4.85 115.26 100.96 1poz n ASN 100 Ca 0.01 0.10 -0.05 0.00 0.87 0.00 0.00 54.58 55.51 1poz n ASN 100 Cb 0.35 -3.67 -0.03 0.00 -1.02 0.00 0.00 39.78 35.40 1poz n ASN 100 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1poz s ASN 101 N -2.16 -0.14 0.00 6.41 3.84 -1.26 -5.03 114.94 116.59 1poz s ASN 101 Ca 0.00 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.16 1poz s ASN 101 Cb 0.00 0.13 0.00 0.00 -0.55 0.00 0.00 41.25 40.83 1poz s ASN 101 CO 0.00 -0.18 0.00 0.35 -2.79 0.00 0.00 177.10 174.48 1poz n THR 102 N 0.29 0.00 0.73 -5.21 -2.24 -1.26 -4.60 114.28 101.99 1poz n THR 102 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1poz n THR 102 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 4.61 1.25 2.69 3.38 0.00 -1.26 -3.35 105.19 112.51 1poz n GLY 103 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1poz n GLY 103 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1poz n VAL 104 N 0.34 0.84 -2.44 1.61 0.31 -1.20 -3.09 118.33 114.70 1poz n VAL 104 Ca 0.00 -2.72 -0.43 0.00 -0.01 0.00 0.00 64.34 61.18 1poz n VAL 104 Cb 0.26 0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 33.98 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1poz s TYR 105 N -2.58 3.00 0.26 3.52 5.04 -1.04 -4.73 117.35 120.83 1poz s TYR 105 Ca 0.26 1.09 0.03 0.00 -2.44 0.00 0.00 57.07 56.01 1poz s TYR 105 Cb 0.43 -3.47 -0.03 0.00 0.35 0.00 0.00 41.96 39.24 1poz s TYR 105 CO 0.00 -1.55 0.42 0.42 -1.34 0.00 0.00 175.55 173.50 1poz s ILE 106 N 2.91 5.21 0.76 3.14 -1.09 -1.25 -1.17 121.20 129.70 1poz s ILE 106 Ca 0.55 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 58.09 1poz s ILE 106 Cb -0.23 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1poz s ILE 106 CO 0.18 -0.37 0.94 -0.11 -1.23 0.00 0.00 174.94 174.35 1poz n LEU 107 N -1.38 3.17 -0.55 2.97 0.00 -0.92 -4.91 117.00 115.38 1poz n LEU 107 Ca -0.07 0.61 0.13 0.00 0.00 0.00 0.00 56.01 56.68 1poz n LEU 107 Cb 0.56 -1.40 0.30 0.00 0.00 0.00 0.00 43.42 42.88 1poz n LEU 107 CO 0.47 -2.19 0.67 0.41 0.00 0.00 0.00 177.39 176.75 1poz n THR 108 N -2.79 0.00 -3.24 1.96 -1.04 -1.26 -4.83 114.28 103.07 1poz n THR 108 Ca 0.12 -0.29 0.04 0.00 -2.04 0.00 0.00 64.05 61.88 1poz n THR 108 Cb 0.50 0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 69.83 1poz n THR 108 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1poz s SER 109 N -2.19 -0.49 -0.39 8.00 0.01 -1.26 -5.13 113.70 112.25 1poz s SER 109 Ca 0.29 0.47 -0.23 0.00 1.31 0.00 0.00 55.95 57.79 1poz s SER 109 Cb 0.20 1.48 0.01 0.00 0.21 0.00 0.00 66.02 67.92 1poz s SER 109 CO 0.41 -0.09 0.79 0.21 0.41 0.00 0.00 173.24 174.96 1poz s ASN 110 N 2.66 6.52 0.00 2.44 3.84 -1.26 -4.48 114.94 124.65 1poz s ASN 110 Ca -0.00 0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.31 1poz s ASN 110 Cb -0.08 -2.39 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 1poz s ASN 110 CO -0.14 -0.78 0.00 1.07 -2.79 0.00 0.00 177.10 174.46 1poz n THR 111 N 5.89 0.00 0.00 -5.21 5.66 -1.26 -5.12 114.28 114.24 1poz n THR 111 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1poz n THR 111 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.09 0.00 -0.74 1.09 3.41 -1.26 -5.15 113.62 110.88 1poz n SER 112 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1poz n SER 112 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.00 -3.27 4.33 10.64 -1.26 -5.01 117.38 122.80 1poz n GLN 113 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1poz n GLN 113 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1poz n GLN 113 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1poz n TYR 114 N 0.00 0.00 -1.87 2.61 0.18 1.15 -4.90 117.16 114.33 1poz n TYR 114 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1poz n TYR 114 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1poz n ASP 115 N 0.72 0.00 -3.48 9.48 8.00 0.10 -1.68 116.55 129.69 1poz n ASP 115 Ca 0.00 -0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.26 1poz n ASP 115 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 1.71 0.00 0.15 -3.53 -1.32 -0.74 -1.83 115.64 110.08 1poz s THR 116 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1poz s THR 116 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1poz s THR 116 CO 0.00 0.00 -0.08 -0.31 -2.21 0.00 0.00 174.62 172.02 1poz s TYR 117 N -2.16 2.71 -0.29 9.09 2.02 0.65 -1.30 117.35 128.07 1poz s TYR 117 Ca -0.06 -0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 56.37 1poz s TYR 117 Cb -0.00 -1.35 0.13 0.00 -0.40 0.00 0.00 41.96 40.34 1poz s TYR 117 CO 0.01 0.48 0.61 0.00 -1.57 0.00 0.00 175.55 175.09 1poz s PHE 119 N 2.85 2.65 -0.22 0.00 2.19 -1.12 -0.94 117.98 123.40 1poz s PHE 119 Ca -0.02 0.00 -0.16 0.00 0.33 0.00 0.00 56.93 57.07 1poz s PHE 119 Cb -0.12 -4.30 -0.04 0.00 -1.31 0.00 0.00 43.02 37.25 1poz s PHE 119 CO -0.18 -1.56 0.43 0.54 1.83 0.00 0.00 175.22 176.28 1poz s ASN 120 N 3.13 6.42 0.64 6.13 4.22 -0.43 -1.73 114.94 133.32 1poz s ASN 120 Ca 0.33 0.50 0.36 0.00 -2.14 0.00 0.00 52.86 51.91 1poz s ASN 120 Cb -0.11 -2.25 2.02 0.00 1.28 0.00 0.00 41.25 42.19 1poz s ASN 120 CO 0.19 -0.15 2.22 0.00 -2.04 0.00 0.00 177.10 177.32 1poz h ALA 121 N 7.63 1.34 -0.62 3.54 0.00 -1.63 -1.26 119.26 128.24 1poz h ALA 121 Ca -0.34 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.67 1poz h ALA 121 Cb 1.16 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1poz h ALA 121 CO 0.71 -0.12 0.25 1.03 0.00 0.00 0.00 179.25 181.12 1poz h SER 122 N 0.00 0.26 -3.46 0.00 0.87 -1.82 -3.38 113.55 106.03 1poz h SER 122 Ca 0.02 0.08 -0.60 0.00 -1.23 0.00 0.00 61.79 60.05 1poz h SER 122 Cb 0.21 0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 62.11 1poz h SER 122 CO -0.00 0.15 0.09 0.00 -0.53 0.00 0.00 176.83 176.54 1poz s ALA 123 N -6.09 3.57 1.18 6.23 0.00 -0.48 -5.07 121.76 121.11 1poz s ALA 123 Ca -0.13 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 1poz s ALA 123 Cb 0.17 -2.95 0.28 0.00 0.00 0.00 0.00 23.12 20.62 1poz s ALA 123 CO 0.75 -0.62 1.13 -1.25 0.00 0.00 0.00 175.76 175.77 1poz s PRO 124 N 2.06 -1.09 -0.59 0.00 0.04 -1.26 -3.89 135.00 130.27 1poz s PRO 124 Ca 0.26 -0.13 -0.25 0.00 0.04 0.00 0.00 61.00 60.93 1poz s PRO 124 Cb -0.16 -1.62 -0.22 0.00 0.04 0.00 0.00 34.50 32.54 1poz s PRO 124 CO 0.10 -3.61 1.83 -0.35 0.04 0.00 0.00 177.00 175.00 1poz n PRO 125 N -4.68 0.98 -3.89 0.56 -0.04 -1.15 -1.07 135.00 125.71 1poz n PRO 125 Ca 0.14 -1.64 0.01 0.00 -0.04 0.00 0.00 63.50 61.97 1poz n PRO 125 Cb 0.60 -2.91 0.01 0.00 -0.04 0.00 0.00 33.50 31.15 1poz n PRO 125 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1poz s GLU 126 N 5.92 0.63 -0.25 0.54 2.02 -1.16 -4.78 118.70 121.61 1poz s GLU 126 Ca 0.63 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 55.04 1poz s GLU 126 Cb 0.12 0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.51 1poz s GLU 126 CO 0.20 -0.29 0.55 -1.21 0.02 0.00 0.00 175.26 174.52 1poz s GLU 127 N -2.16 4.09 -0.08 1.61 2.02 -1.26 0.43 118.70 123.35 1poz s GLU 127 Ca 0.24 0.39 -0.03 0.00 0.02 0.00 0.00 54.97 55.59 1poz s GLU 127 Cb -0.00 -3.64 0.04 0.00 0.10 0.00 0.00 34.13 30.63 1poz s GLU 127 CO 0.00 -0.35 0.16 0.34 0.02 0.00 0.00 175.26 175.43 1poz s ASP 128 N 1.49 0.19 -0.06 -0.19 -1.08 -0.90 -4.91 116.67 111.22 1poz s ASP 128 Ca 0.23 0.34 0.10 0.00 -0.52 0.00 0.00 52.55 52.70 1poz s ASP 128 Cb -0.16 0.26 0.25 0.00 -1.46 0.00 0.00 42.92 41.82 1poz s ASP 128 CO 0.09 -0.19 1.19 0.00 0.52 0.00 0.00 175.17 176.78 1poz n THR 130 N -0.44 1.27 -0.83 0.00 -1.04 -1.26 -4.38 114.28 107.61 1poz n THR 130 Ca 0.11 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.05 61.66 1poz n THR 130 Cb 0.51 -0.50 -0.12 0.00 -1.82 0.00 0.00 70.33 68.40 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 1.79 -0.61 -0.33 8.00 3.41 -1.26 -4.64 113.62 119.99 1poz n SER 131 Ca 0.16 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1poz n SER 131 Cb 0.24 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 3.27 0.00 0.23 -3.33 3.14 -1.26 -4.03 118.33 116.35 1poz n VAL 132 Ca 0.37 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.75 1poz n VAL 132 Cb 0.06 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.55 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 -0.09 0.00 0.00 1.55 5.66 -1.26 -3.84 114.28 116.30 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 0.12 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 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 -0.04 0.00 -3.10 1.09 8.00 -1.26 -4.65 116.55 116.59 1poz n ASP 134 Ca 0.00 0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.30 1poz n ASP 134 Cb 0.02 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1poz n LEU 135 N -0.10 -2.21 0.00 0.64 4.77 -1.25 -4.80 117.00 114.05 1poz n LEU 135 Ca 0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1poz n LEU 135 Cb 0.00 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.44 1poz n LEU 135 CO 0.00 0.18 0.33 -0.81 -1.33 0.00 0.00 177.39 175.76 1poz n PRO 136 N -3.85 0.00 0.00 3.23 -0.04 -1.14 -1.34 135.00 131.86 1poz n PRO 136 Ca -0.08 0.16 0.15 0.00 -0.04 0.00 0.00 63.50 63.69 1poz n PRO 136 Cb 0.60 -1.51 0.73 0.00 -0.04 0.00 0.00 33.50 33.28 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1poz n ASN 137 N -1.14 0.73 -2.10 3.54 3.02 0.26 -4.85 115.26 114.71 1poz n ASN 137 Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1poz n ASN 137 Cb 0.01 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1poz n ALA 138 N -0.44 0.00 -2.50 5.41 0.00 -0.45 -4.71 120.51 117.82 1poz n ALA 138 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.41 1poz n ALA 138 Cb 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 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 0.21 2.40 0.59 0.00 -0.71 -1.16 -4.96 117.98 114.34 1poz s PHE 139 Ca 0.00 -0.31 -0.19 0.00 -1.04 0.00 0.00 56.93 55.39 1poz s PHE 139 Cb 0.00 -1.08 -0.04 0.00 -1.21 0.00 0.00 43.02 40.68 1poz s PHE 139 CO 0.00 0.64 1.10 -0.25 -1.34 0.00 0.00 175.22 175.38 1poz n ASP 140 N -0.45 1.41 0.00 1.98 9.92 -1.26 -1.36 116.55 126.78 1poz n ASP 140 Ca -0.07 0.86 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1poz n ASP 140 Cb 0.59 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 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 1.11 3.69 0.00 0.44 0.00 -1.17 -4.53 105.19 104.73 1poz n GLY 141 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.99 0.49 -1.62 1.61 -0.02 -1.24 -2.14 135.00 131.09 1poz n PRO 142 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1poz n PRO 142 Cb 0.00 -1.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 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 -0.55 0.51 -2.27 4.25 5.41 -0.57 -4.76 119.36 121.37 1poz n ILE 143 Ca 0.01 -0.34 -0.33 0.00 1.00 0.00 0.00 62.75 63.09 1poz n ILE 143 Cb 0.01 -2.46 -0.04 0.00 -0.71 0.00 0.00 39.64 36.44 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 6.84 3.71 -0.60 1.39 2.01 -1.17 -0.32 115.64 127.50 1poz s THR 144 Ca 0.97 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 61.79 1poz s THR 144 Cb -0.38 -4.62 0.03 0.00 0.01 0.00 0.00 72.50 67.53 1poz s THR 144 CO 0.38 -1.39 1.16 -0.63 -0.69 0.00 0.00 174.62 173.45 1poz s ILE 145 N 8.06 4.03 -0.21 1.82 1.01 0.34 -1.49 121.20 134.76 1poz s ILE 145 Ca 0.61 0.70 -0.06 0.00 0.00 0.00 0.00 60.65 61.90 1poz s ILE 145 Cb -0.02 -4.73 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 1poz s ILE 145 CO 0.03 -1.39 0.02 -0.89 0.00 0.00 0.00 174.94 172.70 1poz s THR 146 N 4.90 4.01 -0.30 2.92 2.01 -1.05 0.45 115.64 128.58 1poz s THR 146 Ca 0.39 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 1poz s THR 146 Cb -0.09 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1poz s THR 146 CO 0.22 0.41 0.17 0.27 -0.69 0.00 0.00 174.62 175.00 1poz s ILE 147 N 1.19 4.86 -0.39 1.82 -0.00 -0.32 0.98 121.20 129.33 1poz s ILE 147 Ca 0.03 -0.23 -0.14 0.00 -0.00 0.00 0.00 60.65 60.31 1poz s ILE 147 Cb -0.14 -3.43 0.02 0.00 -0.00 0.00 0.00 42.46 38.90 1poz s ILE 147 CO 0.02 0.12 0.28 -0.69 -0.00 0.00 0.00 174.94 174.66 1poz s VAL 148 N 1.67 5.16 0.35 8.37 1.01 -1.03 -0.87 120.40 135.05 1poz s VAL 148 Ca 0.06 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 1poz s VAL 148 Cb -0.17 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1poz s VAL 148 CO 0.08 -0.26 0.95 0.20 0.00 0.00 0.00 175.10 176.07 1poz s ASN 149 N 1.67 7.25 0.52 3.32 0.01 0.94 0.14 114.94 128.79 1poz s ASN 149 Ca 0.05 1.81 0.24 0.00 -0.71 0.00 0.00 52.86 54.25 1poz s ASN 149 Cb -0.19 -2.57 1.30 0.00 0.41 0.00 0.00 41.25 40.20 1poz s ASN 149 CO 0.10 -0.13 1.70 0.03 -1.51 0.00 0.00 177.10 177.28 1poz h ARG 150 N 2.91 0.00 -0.71 -0.60 2.47 0.02 0.12 114.38 118.59 1poz h ARG 150 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1poz h ARG 150 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1poz h ARG 150 CO 0.64 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.92 1poz n ASP 151 N -2.56 0.71 -0.72 7.04 8.00 -1.26 -4.79 116.55 122.96 1poz n ASP 151 Ca -0.02 -1.98 -0.08 0.00 0.71 0.00 0.00 54.79 53.43 1poz n ASP 151 Cb 0.33 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.14 0.52 3.83 0.44 0.00 0.39 -5.03 105.19 105.48 1poz n GLY 152 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.33 4.29 -0.24 2.61 -4.23 -0.96 -4.94 115.64 109.84 1poz s THR 153 Ca 0.00 -1.41 -0.09 0.00 -1.18 0.00 0.00 61.69 59.01 1poz s THR 153 Cb 0.00 -3.36 0.10 0.00 1.34 0.00 0.00 72.50 70.58 1poz s THR 153 CO 0.00 -0.32 0.53 0.00 -0.54 0.00 0.00 174.62 174.28 1poz s ARG 154 N -3.86 0.45 0.29 3.99 1.04 -1.25 -0.04 118.95 119.56 1poz s ARG 154 Ca 0.34 1.20 0.09 0.00 -1.04 0.00 0.00 55.73 56.32 1poz s ARG 154 Cb -0.07 0.51 -0.04 0.00 -2.04 0.00 0.00 34.95 33.30 1poz s ARG 154 CO 0.25 -0.22 0.03 0.71 -0.04 0.00 0.00 175.30 176.03 1poz s TYR 155 N 2.58 2.69 -0.04 5.89 2.02 -0.05 -4.93 117.35 125.51 1poz s TYR 155 Ca -0.04 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 1poz s TYR 155 Cb -0.11 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 1poz s TYR 155 CO -0.16 0.55 -0.25 0.54 -1.57 0.00 0.00 175.55 174.67 1poz s VAL 156 N -2.36 2.14 0.14 0.71 0.11 -1.26 -1.17 120.40 118.70 1poz s VAL 156 Ca 0.33 -1.06 -0.07 0.00 -2.93 0.00 0.00 61.98 58.25 1poz s VAL 156 Cb -0.05 -1.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 1poz s VAL 156 CO 0.21 0.58 0.20 -1.58 -3.33 0.00 0.00 175.10 171.17 1poz s GLN 157 N -0.39 1.02 -0.25 1.54 -0.44 0.17 -4.95 119.66 116.36 1poz s GLN 157 Ca 0.03 -1.18 0.01 0.00 -2.50 0.00 0.00 55.36 51.72 1poz s GLN 157 Cb -0.12 0.34 0.07 0.00 -1.64 0.00 0.00 33.01 31.66 1poz s GLN 157 CO 0.01 -0.34 -0.02 0.15 0.50 0.00 0.00 175.29 175.60 1poz s LYS 158 N -3.96 1.43 0.00 1.67 1.02 -1.26 0.12 119.74 118.77 1poz s LYS 158 Ca 0.15 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1poz s LYS 158 Cb 0.05 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1poz s LYS 158 CO -0.03 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.12 1poz n GLY 159 N 4.67 4.02 3.64 -3.33 0.00 0.57 -4.70 105.19 110.06 1poz n GLY 159 Ca -0.09 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 4.07 0.40 0.00 1.61 0.41 -0.47 -1.51 118.70 123.21 1poz s GLU 160 Ca 0.00 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.10 1poz s GLU 160 Cb 0.00 0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.50 1poz s GLU 160 CO 0.00 -0.06 0.11 2.48 -0.49 0.00 0.00 175.26 177.30 1poz n TYR 161 N 2.68 0.00 -0.02 1.61 4.11 -1.26 -2.96 117.16 121.32 1poz n TYR 161 Ca -0.14 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.90 57.66 1poz n TYR 161 Cb 0.57 0.24 -0.02 0.00 -0.00 0.00 0.00 39.34 40.13 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 -1.03 -3.48 3.00 -1.26 -4.70 116.66 109.34 1poz n ARG 162 Ca -0.02 0.06 -0.03 0.00 -0.00 0.00 0.00 57.85 57.86 1poz n ARG 162 Cb 0.23 -0.75 -0.01 0.00 0.00 0.00 0.00 32.46 31.93 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 -3.48 0.00 -3.96 5.15 -1.04 -1.26 -4.89 114.28 104.79 1poz n THR 163 Ca -0.10 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 1poz n THR 163 Cb 0.42 -1.07 -0.14 0.00 -1.82 0.00 0.00 70.33 67.71 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 -1.97 4.43 0.00 8.00 0.01 -1.26 -4.95 114.94 119.20 1poz s ASN 164 Ca 0.00 -2.77 0.00 0.00 -0.71 0.00 0.00 52.86 49.38 1poz s ASN 164 Cb 0.00 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 40.03 1poz s ASN 164 CO 0.00 -0.27 0.88 -2.65 -1.51 0.00 0.00 177.10 173.55 1poz n PRO 165 N 3.43 0.00 0.03 -0.60 -0.02 -1.26 -1.89 135.00 134.69 1poz n PRO 165 Ca 0.05 0.39 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1poz n PRO 165 Cb 0.35 -1.56 0.20 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.38 0.04 0.04 -0.52 2.13 -1.26 -1.06 120.64 118.62 1poz n GLU 166 Ca 0.00 0.45 0.06 0.00 0.66 0.00 0.00 57.16 58.33 1poz n GLU 166 Cb 0.06 -1.60 -0.08 0.00 0.27 0.00 0.00 31.44 30.09 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 -1.67 0.56 -0.05 4.31 -0.08 -0.79 -4.25 116.55 114.58 1poz n ASP 167 Ca 0.01 0.23 -0.14 0.00 -1.51 0.00 0.00 54.79 53.38 1poz n ASP 167 Cb 0.07 0.82 -0.14 0.00 2.34 0.00 0.00 41.12 44.21 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1poz n ILE 168 N -2.63 1.59 -3.81 5.18 5.41 -0.22 -4.68 119.36 120.20 1poz n ILE 168 Ca -0.06 -0.73 -0.32 0.00 1.00 0.00 0.00 62.75 62.63 1poz n ILE 168 Cb 0.69 -1.17 -0.11 0.00 -0.71 0.00 0.00 39.64 38.34 1poz n ILE 168 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1poz s TYR 169 N -2.55 3.53 0.83 1.39 2.02 -0.30 -4.91 117.35 117.36 1poz s TYR 169 Ca -0.16 -3.11 -0.11 0.00 -0.37 0.00 0.00 57.07 53.32 1poz s TYR 169 Cb 0.07 -2.96 0.09 0.00 -0.40 0.00 0.00 41.96 38.77 1poz s TYR 169 CO 0.77 -0.69 1.09 -1.25 -1.57 0.00 0.00 175.55 173.90 1poz s PRO 170 N -0.90 1.79 -0.14 -1.71 0.04 -1.26 -4.71 135.00 128.11 1poz s PRO 170 Ca 0.22 0.99 -0.36 0.00 0.04 0.00 0.00 61.00 61.90 1poz s PRO 170 Cb -0.13 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1poz s PRO 170 CO -0.09 -1.92 1.84 0.45 0.04 0.00 0.00 177.00 177.32 1poz n SER 171 N -3.69 3.15 -4.92 6.66 2.88 -1.26 -4.96 113.62 111.49 1poz n SER 171 Ca 0.08 1.00 -0.28 0.00 -1.33 0.00 0.00 58.87 58.34 1poz n SER 171 Cb 0.54 -1.31 -0.03 0.00 -0.75 0.00 0.00 64.21 62.66 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 3.93 6.42 0.61 -3.46 0.02 -1.26 -5.07 114.94 116.12 1poz s ASN 172 Ca 0.94 0.50 -0.19 0.00 -1.02 0.00 0.00 52.86 53.10 1poz s ASN 172 Cb -0.80 -2.05 -0.03 0.00 0.02 0.00 0.00 41.25 38.39 1poz s ASN 172 CO 0.56 -0.06 1.25 -2.16 0.02 0.00 0.00 177.10 176.70 1poz s PRO 173 N -3.25 2.85 0.00 -0.60 0.04 -1.26 -5.03 135.00 127.74 1poz s PRO 173 Ca 0.40 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1poz s PRO 173 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1poz s PRO 173 CO 0.28 -1.33 0.00 0.25 0.04 0.00 0.00 177.00 176.24 1poz n THR 174 N -1.65 0.00 -4.95 1.26 -2.24 -1.26 -4.84 114.28 100.60 1poz n THR 174 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1poz n THR 174 Cb 0.49 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1poz n THR 174 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1poz n ASP 175 N 0.00 -2.72 -4.67 3.42 8.00 -1.26 -4.70 116.55 114.63 1poz n ASP 175 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 1poz n ASP 175 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.84 2.55 -4.74 -2.24 9.92 -1.26 -4.88 116.55 113.05 1poz n ASP 176 Ca 0.00 1.16 -0.42 0.00 -0.53 0.00 0.00 54.79 55.00 1poz n ASP 176 Cb 0.00 -1.42 -0.01 0.00 -0.64 0.00 0.00 41.12 39.05 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 1.71 3.72 0.00 -2.24 8.00 -1.26 -5.04 116.55 121.43 1poz n ASP 177 Ca 0.10 1.17 0.05 0.00 0.71 0.00 0.00 54.79 56.81 1poz n ASP 177 Cb 0.32 -1.58 0.27 0.00 -0.02 0.00 0.00 41.12 40.11 1poz n ASP 177 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14