#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 0.58 -0.03 0.00 1.03 -1.26 -2.89 119.66 117.08 1poz s GLN 21 Ca 0.00 0.75 0.03 0.00 0.04 0.00 0.00 55.36 56.18 1poz s GLN 21 Cb 0.00 0.25 0.00 0.00 0.03 0.00 0.00 33.01 33.29 1poz s GLN 21 CO 0.00 -0.08 -0.12 0.42 -2.54 0.00 0.00 175.29 172.97 1poz s ILE 22 N 0.51 1.02 -0.34 3.63 1.01 -0.85 -4.95 121.20 121.24 1poz s ILE 22 Ca -0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 1poz s ILE 22 Cb -0.05 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 1poz s ILE 22 CO -0.07 0.31 0.55 -1.81 0.00 0.00 0.00 174.94 173.92 1poz s ASP 23 N 0.12 6.36 -0.89 3.58 1.11 -1.26 -2.79 116.67 122.89 1poz s ASP 23 Ca -0.03 0.09 -0.10 0.00 0.18 0.00 0.00 52.55 52.69 1poz s ASP 23 Cb -0.09 -2.29 0.23 0.00 1.07 0.00 0.00 42.92 41.84 1poz s ASP 23 CO 0.01 -0.49 0.83 -0.76 1.18 0.00 0.00 175.17 175.94 1poz s LEU 24 N 2.47 6.34 -0.52 1.23 1.43 -1.02 -0.44 118.68 128.17 1poz s LEU 24 Ca 0.21 -3.08 -0.29 0.00 -1.03 0.00 0.00 54.13 49.94 1poz s LEU 24 Cb -0.15 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1poz s LEU 24 CO 0.13 -0.42 1.16 0.20 0.23 0.00 0.00 176.35 177.65 1poz s ASN 25 N 1.50 6.56 0.12 2.29 -0.87 0.17 -0.37 114.94 124.35 1poz s ASN 25 Ca 0.22 0.34 0.00 0.00 -1.57 0.00 0.00 52.86 51.85 1poz s ASN 25 Cb -0.11 -2.55 -0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1poz s ASN 25 CO -0.08 -1.34 0.00 2.30 -2.57 0.00 0.00 177.10 175.41 1poz n ILE 26 N 6.80 0.00 -0.04 0.60 -5.35 0.33 0.54 119.36 122.24 1poz n ILE 26 Ca 0.11 -0.57 -0.06 0.00 -0.27 0.00 0.00 62.75 61.96 1poz n ILE 26 Cb 0.49 0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 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 -0.29 0.47 -1.63 7.28 -1.04 -0.75 0.29 114.28 118.60 1poz n THR 27 Ca -0.05 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1poz n THR 27 Cb 0.15 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 -2.00 1.86 0.11 0.00 3.52 -0.65 -2.23 118.95 119.56 1poz s ARG 29 Ca 0.00 -2.79 -0.27 0.00 -0.13 0.00 0.00 55.73 52.53 1poz s ARG 29 Cb 0.00 -2.74 -0.06 0.00 -1.56 0.00 0.00 34.95 30.59 1poz s ARG 29 CO 0.00 -1.28 0.85 -0.06 -0.81 0.00 0.00 175.30 174.00 1poz s PHE 30 N -0.74 3.82 0.00 5.12 0.40 0.20 -0.49 117.98 126.28 1poz s PHE 30 Ca 0.25 1.66 0.00 0.00 -0.60 0.00 0.00 56.93 58.24 1poz s PHE 30 Cb -0.06 -2.91 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1poz s PHE 30 CO -0.14 0.31 0.00 0.00 0.70 0.00 0.00 175.22 176.09 1poz n ALA 31 N 2.45 0.00 0.00 5.36 0.00 0.24 0.81 120.51 129.37 1poz n ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1poz n ALA 31 Cb 0.49 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.40 0.79 3.48 0.00 0.00 -0.67 -2.43 105.19 106.76 1poz n GLY 32 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.05 -0.19 1.61 1.01 0.24 -1.07 120.40 124.06 1poz s VAL 33 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1poz s VAL 33 Cb 0.00 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.59 1poz s VAL 33 CO 0.00 0.44 -0.15 0.12 0.00 0.00 0.00 175.10 175.51 1poz s PHE 34 N 0.78 2.67 0.01 5.22 5.36 -0.54 0.59 117.98 132.07 1poz s PHE 34 Ca 0.00 -1.67 -0.30 0.00 -0.96 0.00 0.00 56.93 54.00 1poz s PHE 34 Cb -0.14 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1poz s PHE 34 CO 0.02 -0.78 0.98 -1.58 -1.46 0.00 0.00 175.22 172.40 1poz s HIS 35 N 1.32 3.67 0.15 10.12 5.65 -0.95 -1.80 115.29 133.45 1poz s HIS 35 Ca 0.01 1.70 0.08 0.00 0.25 0.00 0.00 55.06 57.10 1poz s HIS 35 Cb -0.15 -3.12 -0.04 0.00 -1.18 0.00 0.00 32.58 28.09 1poz s HIS 35 CO -0.10 -0.01 -0.09 0.54 -0.65 0.00 0.00 174.74 174.42 1poz s VAL 36 N 0.90 3.29 -0.30 0.89 0.11 0.21 -1.82 120.40 123.68 1poz s VAL 36 Ca 0.52 -1.49 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1poz s VAL 36 Cb -0.21 -2.59 0.17 0.00 -1.53 0.00 0.00 36.38 32.22 1poz s VAL 36 CO 0.28 -0.02 0.47 -1.61 -3.33 0.00 0.00 175.10 170.89 1poz s GLU 37 N -2.58 0.50 -1.16 1.54 2.02 0.19 -0.97 118.70 118.24 1poz s GLU 37 Ca 0.23 0.15 -0.23 0.00 0.02 0.00 0.00 54.97 55.15 1poz s GLU 37 Cb -0.10 -0.16 -0.07 0.00 0.10 0.00 0.00 34.13 33.90 1poz s GLU 37 CO 0.15 -1.06 1.92 0.21 0.02 0.00 0.00 175.26 176.50 1poz s LYS 38 N 2.50 2.59 -0.45 1.61 2.36 -1.26 0.45 119.74 127.55 1poz s LYS 38 Ca 0.11 -1.11 -0.06 0.00 -2.55 0.00 0.00 55.97 52.36 1poz s LYS 38 Cb -0.11 -5.24 0.06 0.00 -1.05 0.00 0.00 37.83 31.48 1poz s LYS 38 CO -0.26 -3.80 0.14 -1.71 1.55 0.00 0.00 175.35 171.27 1poz n ASN 39 N 13.96 -0.65 -0.10 1.43 2.85 0.42 -4.61 115.26 128.55 1poz n ASN 39 Ca 0.44 -0.19 -0.13 0.00 -0.11 0.00 0.00 54.58 54.59 1poz n ASN 39 Cb 0.47 -0.60 -0.11 0.00 1.24 0.00 0.00 39.78 40.78 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1poz n GLY 40 N -0.50 -0.45 2.30 8.20 0.00 -1.26 -4.96 105.19 108.51 1poz n GLY 40 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.00 -0.66 -0.71 1.61 1.85 -1.26 0.61 116.66 115.11 1poz n ARG 41 Ca -0.36 0.65 0.00 0.00 -1.00 0.00 0.00 57.85 57.14 1poz n ARG 41 Cb 0.95 -0.88 0.00 0.00 -1.05 0.00 0.00 32.46 31.48 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 0.42 0.00 -1.34 2.89 4.02 -1.25 -4.78 117.16 117.12 1poz n TYR 42 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.93 1poz n TYR 42 Cb 0.35 -0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.77 1poz n TYR 42 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1poz n SER 43 N 0.00 1.68 -4.90 7.72 2.88 0.20 -2.48 113.62 118.72 1poz n SER 43 Ca 0.00 -2.79 -0.33 0.00 -1.33 0.00 0.00 58.87 54.42 1poz n SER 43 Cb 0.00 -0.37 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 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 -2.06 5.32 0.00 2.46 1.01 -1.05 -4.69 121.20 122.19 1poz s ILE 44 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1poz s ILE 44 Cb 0.20 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1poz s ILE 44 CO 0.02 0.27 0.00 -1.54 0.00 0.00 0.00 174.94 173.69 1poz n SER 45 N 0.78 1.95 0.09 3.58 3.41 -1.26 -2.92 113.62 119.24 1poz n SER 45 Ca -0.09 -0.63 -0.06 0.00 -0.26 0.00 0.00 58.87 57.83 1poz n SER 45 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.03 0.35 4.33 2.43 -1.98 -3.00 114.38 116.55 1poz h ARG 46 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1poz h ARG 46 Cb 0.00 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1poz h ARG 46 CO 0.00 0.88 -0.23 1.79 -1.51 0.00 0.00 179.97 180.90 1poz h THR 47 N 0.02 0.00 0.35 0.20 1.35 -1.98 0.04 112.91 112.89 1poz h THR 47 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1poz h THR 47 Cb 1.52 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1poz h THR 47 CO 0.12 0.00 -0.29 -0.33 -0.25 0.00 0.00 175.52 174.77 1poz h GLU 48 N -0.55 -0.62 0.00 4.72 5.08 -1.94 -2.33 114.58 118.94 1poz h GLU 48 Ca -0.05 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1poz h GLU 48 Cb 0.45 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1poz h GLU 48 CO 0.04 -0.42 0.00 0.00 -1.00 0.00 0.00 179.01 177.63 1poz n ALA 49 N -2.55 -0.06 -0.24 3.43 0.00 -1.13 -2.11 120.51 117.86 1poz n ALA 49 Ca -0.10 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.56 1poz n ALA 49 Cb 0.32 0.15 0.40 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.12 0.69 0.14 0.00 0.00 -0.00 0.12 120.51 120.33 1poz n ALA 50 Ca 0.00 0.75 -0.15 0.00 0.00 0.00 0.00 53.44 54.04 1poz n ALA 50 Cb 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.35 -0.07 0.00 3.58 -0.86 -1.49 116.42 116.23 1poz h ASP 51 Ca 0.59 0.13 -0.13 0.00 0.42 0.00 0.00 57.03 58.04 1poz h ASP 51 Cb 1.52 0.49 0.01 0.00 1.72 0.00 0.00 39.33 43.07 1poz h ASP 51 CO -0.58 -0.52 -0.48 0.25 -2.88 0.00 0.00 179.24 175.03 1poz h LEU 52 N -0.72 0.54 -1.97 2.28 6.46 -0.02 -1.93 115.31 119.94 1poz h LEU 52 Ca -0.02 -0.68 0.46 0.00 -0.12 0.00 0.00 57.88 57.52 1poz h LEU 52 Cb 0.69 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.40 1poz h LEU 52 CO -0.20 1.13 1.16 0.00 -0.62 0.00 0.00 178.44 179.91 1poz n LYS 54 N -4.02 0.64 -0.34 0.00 2.85 -0.57 -2.70 118.16 114.03 1poz n LYS 54 Ca 0.35 0.30 0.14 0.00 -1.05 0.00 0.00 58.31 58.05 1poz n LYS 54 Cb 1.65 -1.79 0.29 0.00 -0.65 0.00 0.00 35.03 34.53 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 0.90 1.17 -1.22 0.58 0.00 0.69 0.42 119.26 121.79 1poz h ALA 55 Ca -0.30 0.34 -0.75 0.00 0.00 0.00 0.00 54.91 54.20 1poz h ALA 55 Cb 2.01 0.58 -0.30 0.00 0.00 0.00 0.00 17.79 20.09 1poz h ALA 55 CO 0.08 -0.57 0.71 1.97 0.00 0.00 0.00 179.25 181.44 1poz n PHE 56 N -5.48 3.05 -2.11 0.00 -1.74 -1.07 -0.70 117.46 109.41 1poz n PHE 56 Ca 0.23 -2.60 -0.14 0.00 -0.56 0.00 0.00 57.45 54.38 1poz n PHE 56 Cb 0.75 -1.00 0.01 0.00 1.52 0.00 0.00 39.48 40.77 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 -0.38 -1.99 -4.05 5.98 3.02 0.15 -4.69 115.26 113.29 1poz n ASN 57 Ca 0.49 -0.11 -0.18 0.00 -0.03 0.00 0.00 54.58 54.74 1poz n ASN 57 Cb 0.31 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.74 1poz n ASN 57 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1poz s SER 58 N -0.84 1.15 0.00 6.41 0.15 -1.10 -3.46 113.70 116.01 1poz s SER 58 Ca 0.12 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1poz s SER 58 Cb -0.01 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1poz s SER 58 CO 0.33 0.06 0.00 0.35 1.20 0.00 0.00 173.24 175.18 1poz n THR 59 N 2.54 0.00 -2.88 6.45 -2.24 0.20 -4.48 114.28 113.87 1poz n THR 59 Ca -0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1poz n THR 59 Cb 0.56 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1poz n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz n LEU 60 N 0.00 -0.02 -0.20 3.22 -0.00 -1.26 -2.45 117.00 116.30 1poz n LEU 60 Ca 0.00 -4.15 0.29 0.00 -0.00 0.00 0.00 56.01 52.15 1poz n LEU 60 Cb 0.00 0.57 0.72 0.00 -0.00 0.00 0.00 43.42 44.72 1poz n LEU 60 CO 0.00 1.98 1.27 -0.65 -0.00 0.00 0.00 177.39 179.99 1poz h PRO 61 N 2.85 0.01 0.00 1.47 0.11 -1.99 -3.46 132.00 130.99 1poz h PRO 61 Ca -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1poz h PRO 61 Cb 1.10 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1poz h PRO 61 CO 0.34 0.01 0.00 2.41 -0.21 0.00 0.00 178.00 180.55 1poz n THR 62 N -4.26 0.00 -0.02 -1.15 -1.04 -1.26 -4.01 114.28 102.53 1poz n THR 62 Ca 0.19 0.00 0.23 0.00 -2.04 0.00 0.00 64.05 62.43 1poz n THR 62 Cb 0.99 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 70.22 1poz n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz h MET 63 N 0.00 0.00 -0.05 -2.82 -0.00 -1.99 0.30 114.93 110.37 1poz h MET 63 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 1poz h MET 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1poz h MET 63 CO 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 176.91 176.66 1poz h ALA 64 N 1.62 0.10 -0.09 -3.00 0.00 -1.96 -2.75 119.26 113.19 1poz h ALA 64 Ca 0.28 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1poz h ALA 64 Cb 1.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1poz h ALA 64 CO -0.00 0.11 -0.59 -0.56 0.00 0.00 0.00 179.25 178.21 1poz h GLN 65 N -0.28 0.28 -0.34 0.00 3.07 -1.47 0.58 115.11 116.95 1poz h GLN 65 Ca -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 58.65 58.50 1poz h GLN 65 Cb 0.91 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.49 1poz h GLN 65 CO 0.05 0.79 0.09 0.00 0.09 0.00 0.00 178.83 179.85 1poz h MET 66 N 0.21 0.54 0.00 0.06 -0.00 -0.53 -2.21 114.93 113.00 1poz h MET 66 Ca -0.00 -0.13 -0.15 0.00 -0.00 0.00 0.00 59.70 59.42 1poz h MET 66 Cb 1.09 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.60 1poz h MET 66 CO 0.09 0.59 -0.84 1.05 -0.00 0.00 0.00 176.91 177.80 1poz h GLU 67 N 0.40 0.00 -0.80 -0.10 -0.00 -1.50 -1.97 114.58 110.61 1poz h GLU 67 Ca 0.11 0.00 0.18 0.00 -0.00 0.00 0.00 59.36 59.65 1poz h GLU 67 Cb 0.28 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.98 1poz h GLU 67 CO -0.00 0.93 0.54 -0.22 -0.00 0.00 0.00 179.01 180.26 1poz h LYS 68 N -1.00 0.34 0.04 1.06 3.11 -1.00 0.82 116.57 119.94 1poz h LYS 68 Ca -0.23 -0.02 -0.31 0.00 -2.81 0.00 0.00 60.65 57.28 1poz h LYS 68 Cb 1.15 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 32.26 1poz h LYS 68 CO -0.14 0.23 -1.79 0.00 -2.81 0.00 0.00 179.45 174.94 1poz n ALA 69 N -2.54 1.30 -0.06 5.00 0.00 -0.83 -4.02 120.51 119.36 1poz n ALA 69 Ca 0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 1poz n ALA 69 Cb 0.63 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1poz n ALA 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1poz h LEU 70 N 0.02 0.00 0.00 0.00 4.07 -0.44 0.71 115.31 119.66 1poz h LEU 70 Ca -0.32 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1poz h LEU 70 Cb 2.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.76 1poz h LEU 70 CO 0.08 0.61 0.06 -0.24 -1.08 0.00 0.00 178.44 177.86 1poz n SER 71 N -4.74 0.00 -0.06 -0.43 2.88 0.28 -0.48 113.62 111.07 1poz n SER 71 Ca -0.03 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.61 1poz n SER 71 Cb 0.10 -0.17 -0.08 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.10 0.82 0.00 2.46 -6.64 -1.24 -5.04 119.36 108.61 1poz n ILE 72 Ca 0.00 -0.42 0.00 0.00 -1.77 0.00 0.00 62.75 60.56 1poz n ILE 72 Cb 0.06 -0.83 0.00 0.00 -1.44 0.00 0.00 39.64 37.42 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 2.50 0.34 2.96 3.28 0.00 0.37 -5.08 105.19 109.57 1poz n GLY 73 Ca -0.22 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 1.73 -0.16 1.61 5.36 0.24 -4.97 117.98 121.80 1poz s PHE 74 Ca 0.00 -0.89 -0.19 0.00 -0.96 0.00 0.00 56.93 54.89 1poz s PHE 74 Cb 0.00 -1.35 0.05 0.00 -0.34 0.00 0.00 43.02 41.38 1poz s PHE 74 CO 0.00 -0.55 0.51 -2.00 -1.46 0.00 0.00 175.22 171.73 1poz s GLU 75 N 1.52 0.67 0.00 10.12 -6.30 -1.26 -4.30 118.70 119.15 1poz s GLU 75 Ca 0.03 0.55 0.07 0.00 -2.50 0.00 0.00 54.97 53.12 1poz s GLU 75 Cb -0.13 0.32 0.07 0.00 0.00 0.00 0.00 34.13 34.39 1poz s GLU 75 CO -0.08 -0.12 0.76 0.25 0.02 0.00 0.00 175.26 176.10 1poz n THR 76 N 2.39 0.11 -1.59 -1.70 -2.24 -1.26 -4.97 114.28 105.03 1poz n THR 76 Ca -0.15 -0.55 -0.07 0.00 -2.27 0.00 0.00 64.05 61.00 1poz n THR 76 Cb 0.56 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 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 -3.34 0.73 -0.68 0.00 0.52 -1.26 -5.00 118.95 109.92 1poz s ARG 78 Ca 0.00 -1.24 -0.26 0.00 -0.52 0.00 0.00 55.73 53.71 1poz s ARG 78 Cb 0.00 -0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.39 1poz s ARG 78 CO 0.00 -0.04 1.66 0.71 0.02 0.00 0.00 175.30 177.65 1poz s TYR 79 N -3.49 1.90 -0.00 -0.53 2.02 -1.26 -4.45 117.35 111.54 1poz s TYR 79 Ca 0.08 0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 57.13 1poz s TYR 79 Cb 0.05 -4.29 -0.05 0.00 -0.40 0.00 0.00 41.96 37.27 1poz s TYR 79 CO -0.06 -2.19 0.32 0.20 -1.57 0.00 0.00 175.55 172.25 1poz s GLY 80 N 6.55 2.33 0.30 0.71 0.00 0.42 -2.20 107.32 115.42 1poz s GLY 80 Ca 0.56 -0.43 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 1poz s GLY 80 CO 0.17 -0.16 1.26 -0.12 0.00 0.00 0.00 173.10 174.25 1poz s PHE 81 N -1.20 3.21 0.01 1.90 5.36 -0.58 -0.06 117.98 126.61 1poz s PHE 81 Ca 0.25 1.44 -0.00 0.00 -0.96 0.00 0.00 56.93 57.67 1poz s PHE 81 Cb -0.14 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1poz s PHE 81 CO 0.13 -1.57 0.02 1.51 -1.46 0.00 0.00 175.22 173.85 1poz n ILE 82 N 1.21 0.00 -0.02 3.12 3.06 -0.65 -1.63 119.36 124.45 1poz n ILE 82 Ca 0.01 -0.08 -0.09 0.00 -2.50 0.00 0.00 62.75 60.09 1poz n ILE 82 Cb 0.43 0.05 -0.03 0.00 0.54 0.00 0.00 39.64 40.63 1poz n ILE 82 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1poz h GLU 83 N 0.00 -0.12 0.00 9.51 4.39 -1.95 0.20 114.58 126.61 1poz h GLU 83 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1poz h GLU 83 Cb 0.05 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1poz h GLU 83 CO 0.02 -0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.19 1poz n GLY 84 N -1.27 -0.88 3.86 -3.84 0.00 -1.26 -4.99 105.19 96.82 1poz n GLY 84 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1poz n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1poz n HIS 85 N -0.51 -0.08 -1.68 1.61 8.25 0.72 -4.90 115.22 118.63 1poz n HIS 85 Ca 0.01 0.00 -0.57 0.00 -0.26 0.00 0.00 57.72 56.89 1poz n HIS 85 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1poz n HIS 85 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1poz n VAL 86 N 0.00 0.29 -4.13 1.59 3.14 -1.26 -1.64 118.33 116.31 1poz n VAL 86 Ca 0.00 -0.07 -0.10 0.00 -2.96 0.00 0.00 64.34 61.21 1poz n VAL 86 Cb 0.00 -1.23 -0.09 0.00 -1.06 0.00 0.00 33.84 31.45 1poz n VAL 86 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1poz s VAL 87 N 3.95 0.08 0.03 1.55 -7.23 0.91 -2.62 120.40 117.06 1poz s VAL 87 Ca 1.00 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 59.39 1poz s VAL 87 Cb -1.07 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 1poz s VAL 87 CO 0.65 -0.35 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.28 1poz s ILE 88 N -4.06 1.41 0.00 -0.62 1.01 -0.04 0.16 121.20 119.06 1poz s ILE 88 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1poz s ILE 88 Cb 0.07 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1poz s ILE 88 CO 0.03 0.20 0.00 -0.81 0.00 0.00 0.00 174.94 174.36 1poz n PRO 89 N 2.10 0.74 0.01 2.79 -0.04 -1.26 -1.52 135.00 137.82 1poz n PRO 89 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1poz n PRO 89 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.19 0.00 0.00 0.54 5.12 -1.26 -4.37 116.66 116.51 1poz n ARG 90 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1poz n ARG 90 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -2.25 0.00 0.04 0.55 5.41 -1.26 -3.65 119.36 118.21 1poz n ILE 91 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1poz n ILE 91 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1poz n ILE 91 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1poz n HIS 92 N 0.00 -2.09 0.25 1.39 -0.00 -1.26 -4.96 115.22 108.55 1poz n HIS 92 Ca 0.00 0.30 -0.13 0.00 0.46 0.00 0.00 57.72 58.35 1poz n HIS 92 Cb 0.00 0.99 -0.07 0.00 -0.12 0.00 0.00 29.99 30.79 1poz n HIS 92 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1poz h PRO 93 N 0.00 -0.64 -2.00 1.57 0.13 -2.03 -3.25 132.00 125.78 1poz h PRO 93 Ca 0.00 0.04 -0.31 0.00 -0.87 0.00 0.00 66.00 64.87 1poz h PRO 93 Cb 0.00 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 31.17 1poz h PRO 93 CO 0.00 -0.35 -0.08 0.09 -0.23 0.00 0.00 178.00 177.43 1poz n ASN 94 N -5.25 5.72 0.08 1.44 4.13 -1.26 -4.38 115.26 115.74 1poz n ASN 94 Ca -0.10 -2.76 -0.09 0.00 1.68 0.00 0.00 54.58 53.31 1poz n ASN 94 Cb 0.31 -1.34 -0.09 0.00 -1.54 0.00 0.00 39.78 37.12 1poz n ASN 94 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1poz h SER 95 N 2.97 0.16 -0.04 6.41 0.02 -1.62 -3.14 113.55 118.30 1poz h SER 95 Ca 0.27 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1poz h SER 95 Cb 1.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1poz h SER 95 CO 0.48 1.07 0.00 -0.38 -1.14 0.00 0.00 176.83 176.86 1poz n ILE 96 N -3.48 0.05 0.29 3.27 -0.00 -1.26 -3.71 119.36 114.52 1poz n ILE 96 Ca -0.03 -0.11 0.13 0.00 -0.00 0.00 0.00 62.75 62.74 1poz n ILE 96 Cb 0.92 -0.08 0.63 0.00 -0.00 0.00 0.00 39.64 41.11 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1poz n ALA 98 N -1.84 2.07 -3.00 0.00 0.00 -1.24 -4.97 120.51 111.52 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.10 0.00 0.59 0.00 0.00 -1.26 -5.03 120.51 113.71 1poz n ALA 99 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1poz n ALA 99 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 1poz n ALA 99 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1poz h ASN 100 N 0.00 0.00 -4.03 0.00 2.35 -1.96 -3.40 115.58 108.54 1poz h ASN 100 Ca 0.00 -0.07 -0.47 0.00 -0.55 0.00 0.00 56.30 55.21 1poz h ASN 100 Cb 0.00 0.00 0.15 0.00 0.05 0.00 0.00 38.32 38.52 1poz h ASN 100 CO 0.00 0.04 0.24 0.20 -1.65 0.00 0.00 177.43 176.26 1poz s ASN 101 N -4.50 3.21 0.18 5.81 0.01 -1.26 -5.07 114.94 113.32 1poz s ASN 101 Ca 0.09 1.27 0.00 0.00 -0.71 0.00 0.00 52.86 53.51 1poz s ASN 101 Cb 0.12 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.84 1poz s ASN 101 CO 0.64 -2.77 0.00 0.35 -1.51 0.00 0.00 177.10 173.81 1poz n THR 102 N -3.95 0.00 -0.15 1.60 -2.24 -1.26 -5.03 114.28 103.25 1poz n THR 102 Ca 0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1poz n THR 102 Cb 0.57 -1.62 0.15 0.00 -2.10 0.00 0.00 70.33 67.33 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 5.00 -3.45 4.18 3.38 0.00 -1.26 -3.97 105.19 109.06 1poz n GLY 103 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.38 -1.80 -3.03 1.61 0.31 -0.58 -4.87 118.33 105.60 1poz n VAL 104 Ca 0.07 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.47 1poz n VAL 104 Cb 0.30 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.54 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 -4.22 3.01 0.49 3.52 5.04 -1.01 -4.72 117.35 119.46 1poz s TYR 105 Ca 0.00 -0.00 -0.21 0.00 -2.44 0.00 0.00 57.07 54.42 1poz s TYR 105 Cb -0.00 -3.56 -0.07 0.00 0.35 0.00 0.00 41.96 38.68 1poz s TYR 105 CO 0.96 -0.98 1.12 0.42 -1.34 0.00 0.00 175.55 175.74 1poz s ILE 106 N 3.10 3.28 0.56 3.14 -1.09 -1.24 -0.86 121.20 128.08 1poz s ILE 106 Ca 0.26 0.87 -0.13 0.00 -2.23 0.00 0.00 60.65 59.42 1poz s ILE 106 Cb -0.14 -3.39 -0.06 0.00 -1.58 0.00 0.00 42.46 37.30 1poz s ILE 106 CO 0.20 -0.10 0.98 -0.22 -1.23 0.00 0.00 174.94 174.57 1poz s LEU 107 N -3.37 3.43 -0.34 2.97 0.20 -1.08 -4.95 118.68 115.55 1poz s LEU 107 Ca 0.67 1.43 0.07 0.00 0.69 0.00 0.00 54.13 56.99 1poz s LEU 107 Cb -0.24 -4.42 0.19 0.00 -0.43 0.00 0.00 46.19 41.28 1poz s LEU 107 CO 0.29 -0.72 0.61 0.42 -0.29 0.00 0.00 176.35 176.65 1poz s THR 108 N -2.90 -1.00 0.00 3.68 -4.23 -1.26 -5.04 115.64 104.89 1poz s THR 108 Ca 0.56 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1poz s THR 108 Cb -0.11 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1poz s THR 108 CO 0.44 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.28 1poz n SER 109 N 5.03 0.00 -0.02 3.99 2.88 -1.26 -5.01 113.62 119.23 1poz n SER 109 Ca 0.07 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1poz n SER 109 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 1poz n SER 109 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1poz n ASN 110 N -0.05 2.64 -1.37 -3.46 4.13 -1.26 -5.12 115.26 110.77 1poz n ASN 110 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1poz n ASN 110 Cb 0.00 1.25 0.00 0.00 -1.54 0.00 0.00 39.78 39.49 1poz n ASN 110 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1poz n THR 111 N -2.01 -5.93 0.00 3.41 -1.04 -1.26 -5.08 114.28 102.36 1poz n THR 111 Ca -0.06 1.99 0.00 0.00 -2.04 0.00 0.00 64.05 63.94 1poz n THR 111 Cb 0.43 -3.20 0.00 0.00 -1.82 0.00 0.00 70.33 65.74 1poz n THR 111 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1poz n SER 112 N 0.52 0.00 -3.91 8.00 3.41 -1.26 -5.16 113.62 115.21 1poz n SER 112 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1poz n SER 112 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1poz n SER 112 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1poz s GLN 113 N 0.00 1.39 0.00 4.33 -1.52 -1.04 -4.99 119.66 117.83 1poz s GLN 113 Ca 0.00 -1.12 0.00 0.00 -1.95 0.00 0.00 55.36 52.29 1poz s GLN 113 Cb 0.00 0.46 0.00 0.00 -0.22 0.00 0.00 33.01 33.25 1poz s GLN 113 CO 0.00 -0.56 0.00 0.66 -0.25 0.00 0.00 175.29 175.14 1poz n TYR 114 N -0.32 0.00 -0.71 0.91 4.02 -1.15 -3.99 117.16 115.92 1poz n TYR 114 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1poz n TYR 114 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1poz n ASP 115 N 0.00 0.00 -3.48 7.72 8.00 -0.93 -2.53 116.55 125.33 1poz n ASP 115 Ca 0.00 -0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.10 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 0.21 0.00 0.27 -3.53 -1.32 -0.15 -1.53 115.64 109.60 1poz s THR 116 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1poz s THR 116 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1poz s THR 116 CO 0.00 0.00 -0.14 -0.31 -2.21 0.00 0.00 174.62 171.96 1poz s TYR 117 N -2.27 2.42 -0.28 9.09 2.02 -0.65 0.68 117.35 128.36 1poz s TYR 117 Ca -0.06 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1poz s TYR 117 Cb -0.00 -1.06 0.17 0.00 -0.40 0.00 0.00 41.96 40.66 1poz s TYR 117 CO 0.00 0.68 0.46 0.00 -1.57 0.00 0.00 175.55 175.12 1poz s PHE 119 N 2.64 2.65 0.03 0.00 2.19 -1.02 -1.47 117.98 122.99 1poz s PHE 119 Ca 0.12 0.48 0.02 0.00 0.33 0.00 0.00 56.93 57.87 1poz s PHE 119 Cb -0.13 -4.50 -0.04 0.00 -1.31 0.00 0.00 43.02 37.04 1poz s PHE 119 CO -0.26 -1.52 0.04 1.21 1.83 0.00 0.00 175.22 176.52 1poz s ASN 120 N 2.86 5.33 0.02 6.13 2.47 -0.23 0.60 114.94 132.13 1poz s ASN 120 Ca 0.44 0.01 0.23 0.00 0.42 0.00 0.00 52.86 53.96 1poz s ASN 120 Cb -0.07 -1.42 0.20 0.00 -1.45 0.00 0.00 41.25 38.51 1poz s ASN 120 CO 0.27 0.24 1.18 0.00 -3.72 0.00 0.00 177.10 175.07 1poz n ALA 121 N 1.04 3.72 -0.30 1.71 0.00 -1.22 -4.24 120.51 121.22 1poz n ALA 121 Ca -0.12 -0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.02 1poz n ALA 121 Cb 0.52 -1.00 0.29 0.00 0.00 0.00 0.00 19.45 19.25 1poz n ALA 121 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1poz h SER 122 N 0.00 0.31 -3.03 0.00 0.87 -1.84 -3.41 113.55 106.45 1poz h SER 122 Ca 0.00 0.15 -0.45 0.00 -1.23 0.00 0.00 61.79 60.26 1poz h SER 122 Cb 0.59 0.13 0.06 0.00 -0.44 0.00 0.00 62.40 62.74 1poz h SER 122 CO 0.00 0.01 0.07 0.00 -0.53 0.00 0.00 176.83 176.39 1poz s ALA 123 N -5.91 3.59 0.50 6.23 0.00 -1.26 -5.07 121.76 119.83 1poz s ALA 123 Ca -0.12 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 1poz s ALA 123 Cb 0.24 -2.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.99 1poz s ALA 123 CO 0.78 -0.97 1.05 -1.25 0.00 0.00 0.00 175.76 175.37 1poz s PRO 124 N -4.96 3.72 -1.32 0.00 0.04 -1.26 -4.70 135.00 126.52 1poz s PRO 124 Ca 0.58 1.38 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 1poz s PRO 124 Cb -0.10 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1poz s PRO 124 CO 0.41 -0.50 2.54 -2.30 0.04 0.00 0.00 177.00 177.19 1poz n PRO 125 N -1.07 2.94 0.20 0.56 -0.02 -1.23 -1.67 135.00 134.73 1poz n PRO 125 Ca 0.10 -1.98 0.00 0.00 -2.02 0.00 0.00 63.50 59.59 1poz n PRO 125 Cb 0.52 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1poz n PRO 125 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1poz n GLU 126 N 4.29 0.00 -3.64 -0.52 2.13 -1.02 -4.86 120.64 117.02 1poz n GLU 126 Ca 0.63 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 58.38 1poz n GLU 126 Cb 0.23 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.87 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1poz s GLU 127 N -2.00 0.36 -0.30 5.31 4.04 -1.24 -0.60 118.70 124.28 1poz s GLU 127 Ca 0.00 0.42 -0.08 0.00 0.04 0.00 0.00 54.97 55.35 1poz s GLU 127 Cb 0.00 0.18 0.16 0.00 0.02 0.00 0.00 34.13 34.49 1poz s GLU 127 CO 0.00 -0.05 0.73 0.34 -1.84 0.00 0.00 175.26 174.44 1poz s ASP 128 N 0.12 -1.07 -0.01 0.83 2.15 0.35 -4.64 116.67 114.41 1poz s ASP 128 Ca 0.04 1.09 0.02 0.00 0.43 0.00 0.00 52.55 54.13 1poz s ASP 128 Cb -0.05 2.06 0.02 0.00 -0.30 0.00 0.00 42.92 44.66 1poz s ASP 128 CO -0.09 -0.20 0.89 0.00 -0.17 0.00 0.00 175.17 175.60 1poz n THR 130 N -0.45 0.00 -1.52 0.00 -2.24 -1.26 -4.58 114.28 104.24 1poz n THR 130 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1poz n THR 130 Cb 0.36 -0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.24 0.77 0.00 3.42 3.41 -1.26 -4.68 113.62 112.03 1poz n SER 131 Ca 0.08 -1.43 0.08 0.00 -0.26 0.00 0.00 58.87 57.35 1poz n SER 131 Cb 0.34 -1.36 0.46 0.00 -0.26 0.00 0.00 64.21 63.39 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 7.85 0.33 0.00 -3.33 3.14 -1.26 -3.56 118.33 121.49 1poz n VAL 132 Ca 0.48 0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.94 1poz n VAL 132 Cb 0.37 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 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 -1.18 0.00 0.00 1.55 5.66 -1.26 -4.16 114.28 114.89 1poz n THR 133 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1poz n THR 133 Cb 0.11 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 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 -0.33 0.00 -2.12 1.09 8.00 -1.23 -4.79 116.55 117.17 1poz n ASP 134 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1poz n ASP 134 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.00 -2.09 0.00 0.64 4.77 -1.25 -4.85 117.00 114.23 1poz n LEU 135 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1poz n LEU 135 Cb 0.00 -2.41 0.02 0.00 -2.33 0.00 0.00 43.42 38.70 1poz n LEU 135 CO 0.00 0.00 0.11 -2.65 -1.33 0.00 0.00 177.39 173.53 1poz n PRO 136 N -2.92 0.14 0.04 3.23 -0.02 -1.03 -1.70 135.00 132.75 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 0.62 -1.07 0.03 0.00 -0.02 0.00 0.00 33.50 33.06 1poz n PRO 136 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1poz n ASN 137 N -0.57 0.62 -3.49 2.55 2.85 0.12 -4.92 115.26 112.42 1poz n ASN 137 Ca 0.00 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1poz n ASN 137 Cb 0.00 0.72 0.00 0.00 1.24 0.00 0.00 39.78 41.74 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 -1.93 0.00 -2.31 5.20 0.00 -0.69 -4.88 120.51 115.91 1poz n ALA 138 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1poz n ALA 138 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 1.53 0.50 0.00 -0.71 -1.12 -4.93 117.98 113.24 1poz s PHE 139 Ca 0.00 -0.70 -0.22 0.00 -1.04 0.00 0.00 56.93 54.97 1poz s PHE 139 Cb 0.00 -0.77 -0.08 0.00 -1.21 0.00 0.00 43.02 40.96 1poz s PHE 139 CO 0.00 0.19 1.03 -0.25 -1.34 0.00 0.00 175.22 174.85 1poz n ASP 140 N -0.33 1.25 0.00 1.98 9.92 -1.26 -0.46 116.55 127.65 1poz n ASP 140 Ca -0.08 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 1poz n ASP 140 Cb 0.61 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 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 1.17 3.92 0.78 0.44 0.00 -1.18 -4.48 105.19 105.84 1poz n GLY 141 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.08 0.61 -2.31 1.61 -0.02 -1.25 -1.52 135.00 131.04 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 -1.24 -0.02 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 -0.23 4.03 -0.81 4.25 1.01 -0.76 -4.85 121.20 123.84 1poz s ILE 143 Ca 0.00 1.19 -0.25 0.00 0.00 0.00 0.00 60.65 61.59 1poz s ILE 143 Cb 0.00 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 1poz s ILE 143 CO 0.00 -0.31 2.10 -0.89 0.00 0.00 0.00 174.94 175.85 1poz s THR 144 N 4.31 3.28 -0.68 2.92 2.01 -1.14 -1.83 115.64 124.50 1poz s THR 144 Ca 0.61 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.23 1poz s THR 144 Cb -0.21 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 68.75 1poz s THR 144 CO 0.23 -0.61 0.92 -0.63 -0.69 0.00 0.00 174.62 173.84 1poz s ILE 145 N 11.50 4.53 0.46 1.82 1.01 0.10 -2.01 121.20 138.62 1poz s ILE 145 Ca 0.78 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1poz s ILE 145 Cb -0.10 -4.64 -0.01 0.00 0.01 0.00 0.00 42.46 37.72 1poz s ILE 145 CO 0.06 -1.37 0.70 0.28 0.00 0.00 0.00 174.94 174.61 1poz s THR 146 N 3.44 4.07 -0.31 2.92 -1.32 -1.12 0.23 115.64 123.55 1poz s THR 146 Ca 0.21 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1poz s THR 146 Cb -0.17 -3.52 0.14 0.00 -1.51 0.00 0.00 72.50 67.44 1poz s THR 146 CO 0.06 -0.39 0.29 -0.63 -2.21 0.00 0.00 174.62 171.74 1poz s ILE 147 N -2.60 -0.31 -0.82 5.08 -1.09 0.47 -2.44 121.20 119.49 1poz s ILE 147 Ca 0.48 -0.73 -0.22 0.00 -2.23 0.00 0.00 60.65 57.96 1poz s ILE 147 Cb -0.10 -0.92 0.08 0.00 -1.58 0.00 0.00 42.46 39.94 1poz s ILE 147 CO 0.39 -0.56 1.14 -0.69 -1.23 0.00 0.00 174.94 173.99 1poz s VAL 148 N 2.02 4.29 -0.19 2.92 1.01 0.50 -2.34 120.40 128.62 1poz s VAL 148 Ca 0.12 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1poz s VAL 148 Cb -0.15 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.42 1poz s VAL 148 CO -0.24 -1.61 1.04 0.20 0.00 0.00 0.00 175.10 174.48 1poz s ASN 149 N 3.91 7.14 0.00 3.32 0.02 0.11 0.12 114.94 129.55 1poz s ASN 149 Ca 0.31 1.43 0.00 0.00 -1.02 0.00 0.00 52.86 53.58 1poz s ASN 149 Cb -0.09 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.64 1poz s ASN 149 CO 0.01 -0.61 0.00 -1.14 0.02 0.00 0.00 177.10 175.38 1poz n ARG 150 N 5.95 -1.79 -0.97 -0.60 0.00 0.82 0.43 116.66 120.50 1poz n ARG 150 Ca 0.11 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 1poz n ARG 150 Cb 0.47 -3.53 0.00 0.00 0.00 0.00 0.00 32.46 29.40 1poz n ARG 150 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1poz n ASP 151 N 1.06 -0.15 -0.11 6.15 2.03 -1.25 -4.87 116.55 119.41 1poz n ASP 151 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1poz n ASP 151 Cb 0.20 -0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.50 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 -2.05 -0.67 3.86 0.27 0.00 0.17 -4.99 105.19 101.79 1poz n GLY 152 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.48 4.86 -0.13 2.61 -4.23 -0.85 -4.96 115.64 110.45 1poz s THR 153 Ca -0.31 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1poz s THR 153 Cb 0.08 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.49 1poz s THR 153 CO 0.48 -0.10 0.29 -0.13 -0.54 0.00 0.00 174.62 174.61 1poz s ARG 154 N -3.17 0.20 0.07 3.99 0.52 -1.26 0.05 118.95 119.36 1poz s ARG 154 Ca 0.33 0.74 0.09 0.00 -0.52 0.00 0.00 55.73 56.36 1poz s ARG 154 Cb -0.10 -0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.33 1poz s ARG 154 CO 0.26 -0.25 -0.24 0.71 0.02 0.00 0.00 175.30 175.80 1poz s TYR 155 N 2.12 2.05 0.04 -0.53 2.02 -0.99 -4.93 117.35 117.13 1poz s TYR 155 Ca -0.02 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 1poz s TYR 155 Cb -0.11 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1poz s TYR 155 CO -0.09 0.18 0.03 0.54 -1.57 0.00 0.00 175.55 174.63 1poz s VAL 156 N -0.93 4.27 0.22 0.71 0.11 -1.26 -0.40 120.40 123.13 1poz s VAL 156 Ca 0.10 -0.73 -0.09 0.00 -2.93 0.00 0.00 61.98 58.33 1poz s VAL 156 Cb -0.10 -2.99 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 1poz s VAL 156 CO 0.03 0.24 0.35 -1.58 -3.33 0.00 0.00 175.10 170.82 1poz s GLN 157 N -1.99 1.40 -0.20 1.54 0.74 0.13 -4.96 119.66 116.33 1poz s GLN 157 Ca 0.24 -1.35 -0.00 0.00 0.05 0.00 0.00 55.36 54.29 1poz s GLN 157 Cb -0.12 0.40 0.05 0.00 1.10 0.00 0.00 33.01 34.45 1poz s GLN 157 CO 0.16 -0.54 -0.04 0.15 -0.55 0.00 0.00 175.29 174.47 1poz s LYS 158 N -4.05 1.38 0.00 1.67 1.02 -1.26 0.02 119.74 118.51 1poz s LYS 158 Ca 0.27 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1poz s LYS 158 Cb 0.02 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1poz s LYS 158 CO 0.09 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 1poz n GLY 159 N 4.82 3.79 3.64 -3.33 0.00 -0.58 -4.68 105.19 108.86 1poz n GLY 159 Ca -0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 4.55 0.59 0.00 1.61 2.02 0.39 -1.82 118.70 126.04 1poz s GLU 160 Ca 0.00 0.83 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1poz s GLU 160 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.45 1poz s GLU 160 CO 0.00 -0.09 0.00 2.48 0.02 0.00 0.00 175.26 177.67 1poz n TYR 161 N 3.11 0.00 -0.64 1.61 4.11 -1.26 -2.80 117.16 121.29 1poz n TYR 161 Ca -0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.66 1poz n TYR 161 Cb 0.57 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.93 1poz n TYR 161 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1poz n ARG 162 N 0.00 1.42 0.00 -3.48 1.85 -1.26 -4.42 116.66 110.77 1poz n ARG 162 Ca 0.00 -0.83 0.06 0.00 -1.00 0.00 0.00 57.85 56.08 1poz n ARG 162 Cb 0.00 -1.32 0.32 0.00 -1.05 0.00 0.00 32.46 30.41 1poz n ARG 162 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1poz n THR 163 N 0.84 0.33 -3.33 8.89 5.66 -1.26 -3.53 114.28 121.88 1poz n THR 163 Ca 0.16 0.08 -0.26 0.00 -3.05 0.00 0.00 64.05 60.99 1poz n THR 163 Cb 0.56 -0.90 -0.08 0.00 -1.55 0.00 0.00 70.33 68.36 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1poz n ASN 164 N -1.13 1.69 0.20 1.09 4.05 -1.26 -4.91 115.26 114.99 1poz n ASN 164 Ca 0.07 -3.00 0.13 0.00 0.45 0.00 0.00 54.58 52.24 1poz n ASN 164 Cb 0.06 -0.65 0.30 0.00 1.23 0.00 0.00 39.78 40.72 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1poz h PRO 165 N 4.23 0.00 0.00 1.20 0.13 -1.96 -3.19 132.00 132.41 1poz h PRO 165 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1poz h PRO 165 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1poz h PRO 165 CO 0.62 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.48 1poz n GLU 166 N -2.90 0.02 0.01 0.86 2.13 -1.26 -1.16 120.64 118.35 1poz n GLU 166 Ca 0.04 0.39 0.11 0.00 0.66 0.00 0.00 57.16 58.36 1poz n GLU 166 Cb 0.47 -1.56 -0.02 0.00 0.27 0.00 0.00 31.44 30.60 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 -1.60 0.62 -0.09 4.31 -0.08 -1.20 -4.27 116.55 114.24 1poz n ASP 167 Ca 0.02 -0.37 -0.15 0.00 -1.51 0.00 0.00 54.79 52.77 1poz n ASP 167 Cb 0.09 0.94 -0.14 0.00 2.34 0.00 0.00 41.12 44.36 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 -1.86 1.51 -3.86 5.18 5.41 -0.31 -4.73 119.36 120.71 1poz n ILE 168 Ca 0.02 -0.68 -0.30 0.00 1.00 0.00 0.00 62.75 62.78 1poz n ILE 168 Cb 0.42 -1.16 -0.11 0.00 -0.71 0.00 0.00 39.64 38.08 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 -2.52 3.56 0.19 1.39 2.02 -0.79 -5.09 117.35 116.11 1poz s TYR 169 Ca -0.24 -3.23 -0.30 0.00 -0.37 0.00 0.00 57.07 52.93 1poz s TYR 169 Cb 0.08 -2.84 -0.08 0.00 -0.40 0.00 0.00 41.96 38.71 1poz s TYR 169 CO 0.71 -0.62 1.13 -1.25 -1.57 0.00 0.00 175.55 173.94 1poz s PRO 170 N -1.18 4.57 0.00 -1.71 0.04 -1.26 -4.78 135.00 130.67 1poz s PRO 170 Ca 0.24 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1poz s PRO 170 Cb -0.09 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1poz s PRO 170 CO -0.12 0.04 0.00 0.45 0.04 0.00 0.00 177.00 177.40 1poz n SER 171 N 2.29 1.26 -4.27 6.66 2.88 -1.26 -4.99 113.62 116.20 1poz n SER 171 Ca 0.03 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.19 1poz n SER 171 Cb 0.46 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.79 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 -4.67 5.33 0.17 -3.46 0.01 -1.26 -5.08 114.94 105.97 1poz s ASN 172 Ca 0.00 -1.19 -0.31 0.00 -0.71 0.00 0.00 52.86 50.65 1poz s ASN 172 Cb 0.00 -1.87 -0.10 0.00 0.41 0.00 0.00 41.25 39.69 1poz s ASN 172 CO 0.00 -0.35 1.50 -2.16 -1.51 0.00 0.00 177.10 174.58 1poz s PRO 173 N 1.39 4.25 1.09 -0.60 0.04 -1.26 -5.00 135.00 134.91 1poz s PRO 173 Ca -0.01 2.28 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1poz s PRO 173 Cb -0.20 -3.17 0.24 0.00 0.04 0.00 0.00 34.50 31.41 1poz s PRO 173 CO 0.03 -0.53 1.06 0.95 0.04 0.00 0.00 177.00 178.55 1poz s THR 174 N 0.90 2.06 -1.85 1.26 -4.23 -1.26 -3.30 115.64 109.22 1poz s THR 174 Ca 0.67 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1poz s THR 174 Cb -0.42 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1poz s THR 174 CO 0.33 -0.03 0.00 -0.67 -0.54 0.00 0.00 174.62 173.72 1poz n ASP 175 N -4.58 -4.91 -4.75 3.99 -0.08 -1.26 -4.90 116.55 100.05 1poz n ASP 175 Ca 0.04 0.36 -0.41 0.00 -1.51 0.00 0.00 54.79 53.27 1poz n ASP 175 Cb 0.55 -4.33 -0.02 0.00 2.34 0.00 0.00 41.12 39.66 1poz n ASP 175 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1poz s ASP 176 N -2.43 6.67 0.17 1.67 2.15 -1.21 -4.92 116.67 118.76 1poz s ASP 176 Ca 0.00 2.67 -0.33 0.00 0.43 0.00 0.00 52.55 55.33 1poz s ASP 176 Cb 0.00 -2.63 -0.13 0.00 -0.30 0.00 0.00 42.92 39.87 1poz s ASP 176 CO 0.00 -0.68 1.69 -0.90 -0.17 0.00 0.00 175.17 175.11 1poz n ASP 177 N 2.08 3.63 0.00 -0.34 5.68 -1.26 -5.17 116.55 121.16 1poz n ASP 177 Ca 0.06 1.06 0.15 0.00 -0.50 0.00 0.00 54.79 55.55 1poz n ASP 177 Cb 0.40 -1.51 0.88 0.00 -1.14 0.00 0.00 41.12 39.75 1poz n ASP 177 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39