#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 1.08 -0.03 0.00 0.74 -1.26 -4.13 119.66 116.06 1poz s GLN 21 Ca 0.00 0.16 0.02 0.00 0.05 0.00 0.00 55.36 55.60 1poz s GLN 21 Cb 0.00 0.51 0.00 0.00 1.10 0.00 0.00 33.01 34.62 1poz s GLN 21 CO 0.00 -0.36 -0.09 0.42 -0.55 0.00 0.00 175.29 174.71 1poz s ILE 22 N -1.53 0.77 -0.24 -2.34 1.09 -0.58 -4.51 121.20 113.86 1poz s ILE 22 Ca -0.09 -0.35 -0.13 0.00 -1.10 0.00 0.00 60.65 58.98 1poz s ILE 22 Cb -0.00 -0.69 -0.04 0.00 -1.06 0.00 0.00 42.46 40.66 1poz s ILE 22 CO 0.07 0.25 0.28 -1.81 -0.10 0.00 0.00 174.94 173.62 1poz s ASP 23 N 0.24 6.21 0.25 3.58 1.01 -1.26 -3.06 116.67 123.64 1poz s ASP 23 Ca -0.04 0.24 0.09 0.00 0.71 0.00 0.00 52.55 53.55 1poz s ASP 23 Cb -0.09 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 1poz s ASP 23 CO 0.01 -0.05 -0.02 -0.76 0.21 0.00 0.00 175.17 174.55 1poz s LEU 24 N 1.48 3.15 -0.25 1.23 2.01 -0.36 -0.99 118.68 124.95 1poz s LEU 24 Ca 0.12 -0.64 -0.08 0.00 0.01 0.00 0.00 54.13 53.55 1poz s LEU 24 Cb -0.15 -1.70 0.12 0.00 0.01 0.00 0.00 46.19 44.47 1poz s LEU 24 CO 0.08 0.02 0.54 0.20 1.01 0.00 0.00 176.35 178.19 1poz s ASN 25 N -3.51 -0.72 0.32 2.29 -0.87 0.51 -0.44 114.94 112.52 1poz s ASN 25 Ca 0.30 1.24 0.03 0.00 -1.57 0.00 0.00 52.86 52.86 1poz s ASN 25 Cb -0.07 1.84 -0.05 0.00 -0.02 0.00 0.00 41.25 42.95 1poz s ASN 25 CO 0.19 -0.23 0.09 0.27 -2.57 0.00 0.00 177.10 174.85 1poz s ILE 26 N 2.76 0.88 -0.13 0.60 -4.36 0.63 0.13 121.20 121.71 1poz s ILE 26 Ca -0.02 -2.00 0.16 0.00 -0.26 0.00 0.00 60.65 58.53 1poz s ILE 26 Cb -0.12 -2.66 -0.23 0.00 1.25 0.00 0.00 42.46 40.70 1poz s ILE 26 CO -0.16 0.00 0.40 0.41 0.24 0.00 0.00 174.94 175.83 1poz n THR 27 N -0.67 1.32 0.00 8.37 -1.04 0.59 -1.23 114.28 121.62 1poz n THR 27 Ca -0.02 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 1poz n THR 27 Cb 0.66 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 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 -1.12 2.08 -0.28 0.00 3.00 -0.64 -2.73 118.95 119.27 1poz s ARG 29 Ca 0.00 -2.21 -0.14 0.00 0.00 0.00 0.00 55.73 53.39 1poz s ARG 29 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 34.95 31.39 1poz s ARG 29 CO 0.00 -1.09 0.31 -0.06 0.00 0.00 0.00 175.30 174.46 1poz s PHE 30 N 0.45 3.24 0.00 -0.53 0.40 0.98 -0.52 117.98 122.00 1poz s PHE 30 Ca 0.13 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1poz s PHE 30 Cb -0.22 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 40.80 1poz s PHE 30 CO -0.04 -0.22 0.00 0.00 0.70 0.00 0.00 175.22 175.67 1poz n ALA 31 N 5.25 0.00 0.00 5.36 0.00 0.13 -1.72 120.51 129.52 1poz n ALA 31 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1poz n ALA 31 Cb 0.51 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.89 0.83 3.44 0.00 0.00 -0.27 -2.80 105.19 105.50 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 4.04 -0.16 1.61 1.01 -0.70 -1.38 120.40 122.83 1poz s VAL 33 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1poz s VAL 33 Cb 0.00 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1poz s VAL 33 CO 0.00 0.40 -0.12 0.12 0.00 0.00 0.00 175.10 175.50 1poz s PHE 34 N 1.20 2.12 -0.20 5.22 5.36 -0.71 -0.01 117.98 130.96 1poz s PHE 34 Ca 0.03 -1.24 -0.29 0.00 -0.96 0.00 0.00 56.93 54.47 1poz s PHE 34 Cb -0.14 -1.55 0.01 0.00 -0.34 0.00 0.00 43.02 40.99 1poz s PHE 34 CO 0.02 -0.67 1.03 -1.58 -1.46 0.00 0.00 175.22 172.56 1poz s HIS 35 N 1.50 3.38 0.23 10.12 5.65 -1.10 -2.71 115.29 132.36 1poz s HIS 35 Ca 0.03 1.50 0.06 0.00 0.25 0.00 0.00 55.06 56.90 1poz s HIS 35 Cb -0.14 -3.25 -0.04 0.00 -1.18 0.00 0.00 32.58 27.98 1poz s HIS 35 CO -0.10 -0.43 0.22 0.54 -0.65 0.00 0.00 174.74 174.32 1poz s VAL 36 N 2.95 4.62 0.04 0.89 0.11 0.21 -0.30 120.40 128.92 1poz s VAL 36 Ca 0.45 -1.26 -0.28 0.00 -2.93 0.00 0.00 61.98 57.96 1poz s VAL 36 Cb -0.16 -3.48 0.07 0.00 -1.53 0.00 0.00 36.38 31.29 1poz s VAL 36 CO 0.08 -0.30 0.65 -0.70 -3.33 0.00 0.00 175.10 171.50 1poz s GLU 37 N -3.73 1.15 -0.31 1.54 2.12 0.35 -1.76 118.70 118.06 1poz s GLU 37 Ca 0.33 -0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1poz s GLU 37 Cb -0.08 0.54 0.09 0.00 0.26 0.00 0.00 34.13 34.94 1poz s GLU 37 CO 0.25 -0.43 0.04 0.21 -0.54 0.00 0.00 175.26 174.80 1poz s LYS 38 N -2.30 1.32 0.00 4.30 2.47 -1.26 -0.36 119.74 123.91 1poz s LYS 38 Ca -0.06 -1.50 0.00 0.00 -1.56 0.00 0.00 55.97 52.85 1poz s LYS 38 Cb -0.00 -2.76 0.00 0.00 -1.46 0.00 0.00 37.83 33.61 1poz s LYS 38 CO 0.00 -0.89 0.00 -1.71 0.16 0.00 0.00 175.35 172.91 1poz n ASN 39 N 4.49 0.00 0.00 1.43 5.15 -0.16 -4.45 115.26 121.72 1poz n ASN 39 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1poz n ASN 39 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 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 -0.70 0.00 1.55 8.20 0.00 -1.26 -4.92 105.19 108.05 1poz n GLY 40 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 -0.19 -0.32 1.61 1.85 -1.26 0.14 116.66 116.49 1poz n ARG 41 Ca 0.00 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 1poz n ARG 41 Cb 0.42 -0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.64 0.00 -1.91 2.89 4.01 -1.26 -4.75 117.16 116.78 1poz n TYR 42 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1poz n TYR 42 Cb 0.19 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.33 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 0.00 1.33 -4.89 7.72 2.88 0.38 -0.44 113.62 120.60 1poz n SER 43 Ca 0.00 -2.89 -0.33 0.00 -1.33 0.00 0.00 58.87 54.31 1poz n SER 43 Cb 0.00 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.01 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 -1.64 5.32 0.48 2.46 1.01 -0.97 -4.59 121.20 123.27 1poz s ILE 44 Ca 0.32 0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.06 1poz s ILE 44 Cb 0.33 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1poz s ILE 44 CO -0.09 0.28 0.45 -0.44 0.00 0.00 0.00 174.94 175.15 1poz s SER 45 N -1.95 4.95 0.33 3.58 0.01 -1.26 -3.04 113.70 116.32 1poz s SER 45 Ca 0.30 -0.90 0.10 0.00 1.31 0.00 0.00 55.95 56.76 1poz s SER 45 Cb -0.13 -0.16 0.57 0.00 0.21 0.00 0.00 66.02 66.51 1poz s SER 45 CO 0.19 -0.89 1.75 -0.09 0.41 0.00 0.00 173.24 174.61 1poz h ARG 46 N 0.81 0.10 0.35 12.44 2.43 -1.95 -2.35 114.38 126.22 1poz h ARG 46 Ca -0.38 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1poz h ARG 46 Cb 1.28 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1poz h ARG 46 CO 0.55 0.50 -0.21 1.79 -1.51 0.00 0.00 179.97 181.08 1poz h THR 47 N 0.09 0.00 0.66 0.20 1.35 -1.98 -0.39 112.91 112.84 1poz h THR 47 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1poz h THR 47 Cb 0.77 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1poz h THR 47 CO 0.06 0.00 -0.32 -0.33 -0.25 0.00 0.00 175.52 174.68 1poz h GLU 48 N -0.53 -0.86 0.00 4.72 5.08 -1.98 -2.13 114.58 118.88 1poz h GLU 48 Ca -0.05 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1poz h GLU 48 Cb 0.42 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1poz h GLU 48 CO 0.05 -0.57 0.00 0.00 -1.00 0.00 0.00 179.01 177.49 1poz n ALA 49 N -2.48 -0.13 -0.33 3.43 0.00 -0.88 -1.82 120.51 118.30 1poz n ALA 49 Ca -0.13 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.52 1poz n ALA 49 Cb 0.36 0.26 0.41 0.00 0.00 0.00 0.00 19.45 20.48 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz h ALA 50 N -1.59 1.58 -0.48 0.00 0.00 -1.15 0.26 119.26 117.87 1poz h ALA 50 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1poz h ALA 50 Cb 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 1poz h ALA 50 CO 0.00 -0.71 -0.34 -0.44 0.00 0.00 0.00 179.25 177.76 1poz h ASP 51 N 0.03 -1.16 -0.69 0.00 3.32 -0.65 0.33 116.42 117.60 1poz h ASP 51 Ca 0.69 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.94 1poz h ASP 51 Cb 1.62 0.55 -0.03 0.00 0.22 0.00 0.00 39.33 41.69 1poz h ASP 51 CO -0.84 -0.32 0.37 0.25 -1.72 0.00 0.00 179.24 176.98 1poz h LEU 52 N -0.22 0.87 -1.90 1.55 6.46 -0.16 -0.93 115.31 120.98 1poz h LEU 52 Ca 0.19 -0.10 0.29 0.00 -0.12 0.00 0.00 57.88 58.14 1poz h LEU 52 Cb 0.55 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1poz h LEU 52 CO -0.60 0.73 0.80 0.00 -0.62 0.00 0.00 178.44 178.75 1poz h LYS 54 N 0.00 0.00 -1.00 0.00 1.79 -0.32 0.31 116.57 117.35 1poz h LYS 54 Ca 0.48 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 59.12 1poz h LYS 54 Cb 2.08 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.63 1poz h LYS 54 CO -0.01 0.31 0.62 0.00 -1.08 0.00 0.00 179.45 179.30 1poz h ALA 55 N 1.38 1.64 -0.89 3.86 0.00 0.38 -1.95 119.26 123.69 1poz h ALA 55 Ca -0.17 0.06 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 1poz h ALA 55 Cb 1.62 -0.12 -0.42 0.00 0.00 0.00 0.00 17.79 18.87 1poz h ALA 55 CO 0.05 0.02 -0.76 1.97 0.00 0.00 0.00 179.25 180.52 1poz n PHE 56 N -4.72 2.88 -3.06 0.00 -1.74 -1.06 0.02 117.46 109.77 1poz n PHE 56 Ca 0.22 -2.39 -0.17 0.00 -0.56 0.00 0.00 57.45 54.55 1poz n PHE 56 Cb 0.52 -0.32 0.02 0.00 1.52 0.00 0.00 39.48 41.21 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 -0.67 -5.39 -4.58 5.98 0.23 -0.73 -4.62 115.26 105.47 1poz n ASN 57 Ca 0.44 0.12 -0.26 0.00 -0.53 0.00 0.00 54.58 54.34 1poz n ASN 57 Cb 0.91 -1.41 -0.10 0.00 -2.08 0.00 0.00 39.78 37.09 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 -1.08 3.84 0.24 0.53 0.15 0.11 -3.25 113.70 114.24 1poz s SER 58 Ca 0.16 -1.23 0.12 0.00 0.70 0.00 0.00 55.95 55.70 1poz s SER 58 Cb -0.02 -0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 63.86 1poz s SER 58 CO 0.37 -0.29 -0.22 -0.89 1.20 0.00 0.00 173.24 173.41 1poz s THR 59 N -2.63 2.44 -0.11 6.45 2.01 0.11 -4.81 115.64 119.11 1poz s THR 59 Ca 0.34 -2.21 0.15 0.00 0.31 0.00 0.00 61.69 60.28 1poz s THR 59 Cb 0.05 -2.23 -0.10 0.00 0.01 0.00 0.00 72.50 70.23 1poz s THR 59 CO 0.17 -0.26 0.98 -0.07 -0.69 0.00 0.00 174.62 174.76 1poz h LEU 60 N 2.73 0.00 -0.09 4.42 3.38 -1.90 -2.77 115.31 121.08 1poz h LEU 60 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1poz h LEU 60 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1poz h LEU 60 CO 0.54 0.62 0.00 -2.65 0.09 0.00 0.00 178.44 177.04 1poz n PRO 61 N -3.01 0.00 0.00 1.13 -0.02 -1.26 -3.95 135.00 127.90 1poz n PRO 61 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1poz n PRO 61 Cb 0.84 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 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 -0.28 0.13 0.34 3.45 -2.24 -1.26 -1.53 114.28 112.89 1poz n THR 62 Ca 0.00 0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.90 1poz n THR 62 Cb 0.00 -1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 66.85 1poz n THR 62 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1poz h MET 63 N 0.00 -0.89 0.00 -0.78 4.05 -1.94 1.43 114.93 116.80 1poz h MET 63 Ca 0.00 0.06 -0.18 0.00 -0.28 0.00 0.00 59.70 59.30 1poz h MET 63 Cb 0.52 0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.49 1poz h MET 63 CO 0.00 -0.59 -1.09 0.00 0.23 0.00 0.00 176.91 175.46 1poz h ALA 64 N -0.60 0.60 -0.00 0.39 0.00 -1.66 -2.91 119.26 115.08 1poz h ALA 64 Ca -0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 53.90 1poz h ALA 64 Cb 0.75 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1poz h ALA 64 CO 0.07 1.03 -0.41 1.96 0.00 0.00 0.00 179.25 181.91 1poz h GLN 65 N 0.00 0.00 0.00 0.00 4.20 -1.40 -2.42 115.11 115.50 1poz h GLN 65 Ca -0.10 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1poz h GLN 65 Cb 1.65 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.43 1poz h GLN 65 CO 0.08 0.41 -0.00 0.52 -0.67 0.00 0.00 178.83 179.17 1poz h MET 66 N 0.00 -0.00 -0.75 1.46 2.86 0.19 -2.83 114.93 115.87 1poz h MET 66 Ca -0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 1poz h MET 66 Cb 0.72 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.25 1poz h MET 66 CO 0.05 0.69 0.02 0.93 1.06 0.00 0.00 176.91 179.66 1poz h GLU 67 N -1.00 0.11 0.38 1.72 5.08 -1.51 0.90 114.58 120.26 1poz h GLU 67 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1poz h GLU 67 Cb 0.69 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1poz h GLU 67 CO 0.00 0.07 -0.20 0.87 -1.00 0.00 0.00 179.01 178.75 1poz h LYS 68 N 0.11 -0.52 -0.35 2.33 1.79 -1.55 -0.69 116.57 117.69 1poz h LYS 68 Ca 0.41 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 59.02 1poz h LYS 68 Cb 0.72 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1poz h LYS 68 CO -0.65 -0.35 0.30 0.00 -1.08 0.00 0.00 179.45 177.67 1poz h ALA 69 N 0.07 2.19 -0.25 3.86 0.00 -0.63 0.85 119.26 125.35 1poz h ALA 69 Ca -0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1poz h ALA 69 Cb 0.43 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1poz h ALA 69 CO 0.06 -0.48 -0.54 -0.07 0.00 0.00 0.00 179.25 178.23 1poz h LEU 70 N 0.00 0.82 -0.66 0.00 4.07 0.21 0.84 115.31 120.59 1poz h LEU 70 Ca 0.17 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1poz h LEU 70 Cb 0.76 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1poz h LEU 70 CO -0.00 1.20 0.00 -1.28 -1.08 0.00 0.00 178.44 177.27 1poz h SER 71 N 0.57 0.00 0.10 -0.43 0.87 0.40 -2.75 113.55 112.31 1poz h SER 71 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1poz h SER 71 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1poz h SER 71 CO 0.11 0.00 -0.09 2.30 -0.53 0.00 0.00 176.83 178.62 1poz n ILE 72 N -3.08 0.00 -0.41 2.23 -6.64 -0.48 -4.93 119.36 106.05 1poz n ILE 72 Ca 0.02 -0.19 0.00 0.00 -1.77 0.00 0.00 62.75 60.82 1poz n ILE 72 Cb 0.43 0.39 0.00 0.00 -1.44 0.00 0.00 39.64 39.01 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 1.23 0.70 2.96 3.28 0.00 -1.02 -4.95 105.19 107.39 1poz n GLY 73 Ca 0.17 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.85 2.26 -0.05 1.61 5.36 0.26 -4.98 117.98 120.60 1poz s PHE 74 Ca 0.00 -1.51 -0.10 0.00 -0.96 0.00 0.00 56.93 54.36 1poz s PHE 74 Cb 0.00 -1.56 0.02 0.00 -0.34 0.00 0.00 43.02 41.14 1poz s PHE 74 CO 0.00 -0.72 0.23 -1.83 -1.46 0.00 0.00 175.22 171.44 1poz s GLU 75 N 1.45 0.44 -0.00 10.12 4.04 -1.26 -4.29 118.70 129.19 1poz s GLU 75 Ca -0.02 0.00 0.00 0.00 0.04 0.00 0.00 54.97 55.00 1poz s GLU 75 Cb -0.16 0.20 -0.01 0.00 0.02 0.00 0.00 34.13 34.18 1poz s GLU 75 CO -0.08 -0.09 0.02 0.25 -1.84 0.00 0.00 175.26 173.51 1poz n THR 76 N 2.11 0.00 -1.07 1.83 -2.24 -1.26 -4.98 114.28 108.67 1poz n THR 76 Ca -0.18 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.17 1poz n THR 76 Cb 0.57 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.28 1.23 -0.70 0.00 0.52 -1.26 -4.95 118.95 111.51 1poz s ARG 78 Ca 0.00 -1.33 -0.27 0.00 -0.52 0.00 0.00 55.73 53.61 1poz s ARG 78 Cb 0.00 -1.36 0.03 0.00 0.52 0.00 0.00 34.95 34.14 1poz s ARG 78 CO 0.00 0.29 1.32 0.71 0.02 0.00 0.00 175.30 177.63 1poz s TYR 79 N -1.76 2.28 0.01 -0.53 1.51 -1.26 -4.61 117.35 113.00 1poz s TYR 79 Ca 0.13 0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 1poz s TYR 79 Cb -0.07 -4.57 -0.04 0.00 -0.11 0.00 0.00 41.96 37.18 1poz s TYR 79 CO 0.06 -2.02 -0.04 0.20 -1.11 0.00 0.00 175.55 172.63 1poz s GLY 80 N 3.97 1.81 -0.12 0.71 0.00 0.12 -2.35 107.32 111.46 1poz s GLY 80 Ca 0.39 -1.02 -0.32 0.00 0.00 0.00 0.00 44.72 43.77 1poz s GLY 80 CO 0.17 -0.90 2.00 0.69 0.00 0.00 0.00 173.10 175.07 1poz n PHE 81 N 1.38 2.21 -0.13 1.90 3.72 0.84 -1.39 117.46 125.99 1poz n PHE 81 Ca -0.15 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1poz n PHE 81 Cb 0.52 -2.69 0.00 0.00 -0.94 0.00 0.00 39.48 36.38 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1poz n ILE 82 N 5.97 0.00 0.27 4.37 0.13 0.51 -0.99 119.36 129.62 1poz n ILE 82 Ca 0.26 0.00 0.08 0.00 -1.10 0.00 0.00 62.75 61.99 1poz n ILE 82 Cb 0.33 -0.35 0.44 0.00 -0.84 0.00 0.00 39.64 39.23 1poz n ILE 82 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 1poz h GLU 83 N 0.00 0.00 0.00 9.51 4.11 -1.89 -3.33 114.58 122.99 1poz h GLU 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1poz h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1poz h GLU 83 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1poz n GLY 84 N -1.29 0.00 3.64 1.06 0.00 -1.26 -4.90 105.19 102.43 1poz n GLY 84 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1poz n GLY 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1poz s HIS 85 N 0.00 -0.51 -0.66 1.61 5.04 -1.25 -5.10 115.29 114.41 1poz s HIS 85 Ca 0.00 1.22 -0.28 0.00 -1.54 0.00 0.00 55.06 54.46 1poz s HIS 85 Cb 0.00 0.36 -0.12 0.00 0.04 0.00 0.00 32.58 32.86 1poz s HIS 85 CO 0.00 -0.25 2.51 1.55 -2.34 0.00 0.00 174.74 176.21 1poz n VAL 86 N 2.43 -0.05 -4.60 0.89 3.14 -1.26 -0.36 118.33 118.51 1poz n VAL 86 Ca -0.13 -0.51 -0.30 0.00 -2.96 0.00 0.00 64.34 60.44 1poz n VAL 86 Cb 0.56 -1.97 -0.08 0.00 -1.06 0.00 0.00 33.84 31.29 1poz n VAL 86 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1poz s VAL 87 N 10.99 1.58 -0.01 1.55 1.01 -0.49 -2.51 120.40 132.52 1poz s VAL 87 Ca 1.12 -1.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1poz s VAL 87 Cb -0.57 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1poz s VAL 87 CO 0.35 0.00 0.02 -0.63 0.00 0.00 0.00 175.10 174.83 1poz s ILE 88 N -2.79 -0.02 0.62 2.22 -1.09 0.32 -0.70 121.20 119.76 1poz s ILE 88 Ca 0.21 0.08 -0.18 0.00 -2.23 0.00 0.00 60.65 58.53 1poz s ILE 88 Cb 0.05 -0.04 -0.02 0.00 -1.58 0.00 0.00 42.46 40.86 1poz s ILE 88 CO 0.11 0.03 1.19 -2.84 -1.23 0.00 0.00 174.94 172.21 1poz s PRO 89 N 0.38 2.82 -0.30 2.79 0.02 -1.26 -2.55 135.00 136.90 1poz s PRO 89 Ca -0.03 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.77 1poz s PRO 89 Cb -0.05 -1.92 0.13 0.00 0.02 0.00 0.00 34.50 32.69 1poz s PRO 89 CO -0.01 -1.31 1.17 -2.13 -0.33 0.00 0.00 177.00 174.39 1poz n ARG 90 N -1.87 0.04 0.27 5.54 0.00 -1.26 -4.78 116.66 114.60 1poz n ARG 90 Ca 0.13 -0.55 0.17 0.00 -0.00 0.00 0.00 57.85 57.60 1poz n ARG 90 Cb 0.50 -0.02 0.73 0.00 0.00 0.00 0.00 32.46 33.68 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 0.09 0.00 -4.02 5.15 2.10 -1.86 -3.15 117.51 115.82 1poz h ILE 91 Ca -0.53 -0.40 -0.41 0.00 1.08 0.00 0.00 64.86 64.60 1poz h ILE 91 Cb 1.23 1.36 -0.25 0.00 -1.09 0.00 0.00 36.82 38.08 1poz h ILE 91 CO -0.16 0.00 -0.78 -2.28 -1.08 0.00 0.00 178.15 173.85 1poz s HIS 92 N -3.69 1.05 -1.05 2.19 2.46 -1.26 -4.98 115.29 110.01 1poz s HIS 92 Ca 0.01 -0.34 0.13 0.00 0.47 0.00 0.00 55.06 55.33 1poz s HIS 92 Cb 0.09 -0.63 0.57 0.00 -0.13 0.00 0.00 32.58 32.48 1poz s HIS 92 CO 0.50 0.01 1.41 -0.35 -2.47 0.00 0.00 174.74 173.84 1poz n PRO 93 N 2.01 0.02 0.00 2.88 -0.04 -1.26 -2.33 135.00 136.28 1poz n PRO 93 Ca -0.18 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1poz n PRO 93 Cb 0.55 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.99 1poz n PRO 93 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1poz n ASN 94 N -1.47 0.00 0.03 3.54 4.05 -1.26 -3.83 115.26 116.32 1poz n ASN 94 Ca 0.04 -1.49 -0.12 0.00 0.45 0.00 0.00 54.58 53.45 1poz n ASN 94 Cb 0.15 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.08 1poz n ASN 94 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 177.26 172.93 1poz h SER 95 N 0.00 -0.02 -1.18 1.20 0.87 -1.87 -3.46 113.55 109.10 1poz h SER 95 Ca 0.00 -0.16 -0.33 0.00 -1.23 0.00 0.00 61.79 60.07 1poz h SER 95 Cb 0.00 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 61.84 1poz h SER 95 CO 0.00 0.15 -0.30 -0.38 -0.53 0.00 0.00 176.83 175.77 1poz n ILE 96 N -5.02 0.00 0.00 2.23 5.41 -1.25 -4.83 119.36 115.90 1poz n ILE 96 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1poz n ILE 96 Cb 0.11 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 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 0.71 -5.53 0.00 0.00 -1.88 -3.49 119.26 107.06 1poz h ALA 98 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1poz h ALA 98 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1poz h ALA 98 CO 0.00 0.07 -0.52 0.00 0.00 0.00 0.00 179.25 178.80 1poz n ALA 99 N -2.16 -2.81 -2.00 0.00 0.00 -1.26 -5.02 120.51 107.26 1poz n ALA 99 Ca 0.01 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1poz n ALA 99 Cb 0.56 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 17.00 1poz n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1poz n ASN 100 N -0.67 0.00 0.00 0.00 5.15 -1.26 -5.11 115.26 113.36 1poz n ASN 100 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1poz n ASN 100 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1poz n ASN 100 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1poz n ASN 101 N 0.00 0.00 -4.75 1.20 4.05 -1.26 -5.09 115.26 109.41 1poz n ASN 101 Ca 0.00 0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.80 1poz n ASN 101 Cb 0.00 0.11 -0.06 0.00 1.23 0.00 0.00 39.78 41.06 1poz n ASN 101 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1poz s THR 102 N -1.74 3.38 -0.07 -0.44 -4.23 -1.26 -4.74 115.64 106.55 1poz s THR 102 Ca 0.00 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1poz s THR 102 Cb 0.00 -3.04 0.06 0.00 1.34 0.00 0.00 72.50 70.86 1poz s THR 102 CO 0.00 -0.24 1.74 0.61 -0.54 0.00 0.00 174.62 176.19 1poz n GLY 103 N -1.14 2.72 2.58 3.99 0.00 -1.19 -4.07 105.19 108.07 1poz n GLY 103 Ca -0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 0.95 1.55 -3.22 1.61 0.31 -1.09 -4.08 118.33 114.36 1poz n VAL 104 Ca 0.07 -3.71 -0.42 0.00 -0.01 0.00 0.00 64.34 60.28 1poz n VAL 104 Cb 0.55 0.01 -0.08 0.00 -0.91 0.00 0.00 33.84 33.42 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 -3.36 3.17 0.77 3.52 6.14 -1.06 -4.72 117.35 121.81 1poz s TYR 105 Ca 0.35 0.16 -0.09 0.00 0.64 0.00 0.00 57.07 58.13 1poz s TYR 105 Cb 0.42 -2.98 0.08 0.00 0.42 0.00 0.00 41.96 39.90 1poz s TYR 105 CO -0.04 -0.58 1.10 0.96 0.64 0.00 0.00 175.55 177.63 1poz s ILE 106 N 2.46 2.14 -0.09 3.14 -5.25 -1.23 0.12 121.20 122.48 1poz s ILE 106 Ca 0.19 -0.15 -0.30 0.00 -0.99 0.00 0.00 60.65 59.41 1poz s ILE 106 Cb -0.15 -2.99 -0.02 0.00 2.95 0.00 0.00 42.46 42.25 1poz s ILE 106 CO 0.14 0.00 1.04 -0.22 -1.79 0.00 0.00 174.94 174.11 1poz s LEU 107 N -5.43 4.26 0.00 0.37 2.96 -1.05 -4.89 118.68 114.90 1poz s LEU 107 Ca 0.62 1.59 0.09 0.00 -0.22 0.00 0.00 54.13 56.21 1poz s LEU 107 Cb -0.10 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.10 1poz s LEU 107 CO 0.47 -0.46 0.78 0.35 -1.32 0.00 0.00 176.35 176.16 1poz n THR 108 N 4.54 0.00 -0.22 3.68 -2.24 -1.26 -5.00 114.28 113.78 1poz n THR 108 Ca 0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1poz n THR 108 Cb 0.48 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1poz n THR 108 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1poz n SER 109 N 0.45 0.00 -4.64 3.42 7.64 -1.26 -5.02 113.62 114.21 1poz n SER 109 Ca 0.05 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 1poz n SER 109 Cb 0.23 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.58 1poz n SER 109 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1poz n ASN 110 N 0.00 0.13 0.00 6.43 4.13 -1.26 -4.99 115.26 119.70 1poz n ASN 110 Ca 0.00 0.44 0.00 0.00 1.68 0.00 0.00 54.58 56.70 1poz n ASN 110 Cb 0.00 -1.45 0.00 0.00 -1.54 0.00 0.00 39.78 36.79 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 -4.02 0.00 0.00 3.41 -1.04 -1.26 -4.76 114.28 106.61 1poz n THR 111 Ca 0.12 0.66 0.00 0.00 -2.04 0.00 0.00 64.05 62.79 1poz n THR 111 Cb 0.52 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1poz n THR 111 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1poz n SER 112 N -0.31 0.00 -0.30 8.00 7.64 -1.26 -4.78 113.62 122.61 1poz n SER 112 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1poz n SER 112 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.96 1.43 6.02 0.42 -4.91 117.38 119.39 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 1.02 0.00 0.00 30.24 31.26 1poz n GLN 113 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1poz n TYR 114 N 0.00 -0.89 -1.46 1.08 4.02 -1.12 -4.25 117.16 114.53 1poz n TYR 114 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1poz n TYR 114 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 -0.99 0.00 -3.63 7.72 8.00 -0.99 -2.29 116.55 124.37 1poz n ASP 115 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1poz n ASP 115 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 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 2.18 0.00 0.28 -3.53 -1.32 -0.72 -0.11 115.64 112.41 1poz s THR 116 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1poz s THR 116 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1poz s THR 116 CO 0.00 0.00 0.28 -0.31 -2.21 0.00 0.00 174.62 172.38 1poz s TYR 117 N 0.52 3.12 -0.30 9.09 1.51 -0.17 0.63 117.35 131.76 1poz s TYR 117 Ca -0.01 -0.15 -0.14 0.00 -1.01 0.00 0.00 57.07 55.76 1poz s TYR 117 Cb -0.05 -1.59 0.17 0.00 -0.11 0.00 0.00 41.96 40.38 1poz s TYR 117 CO -0.01 0.37 0.97 0.00 -1.11 0.00 0.00 175.55 175.77 1poz s PHE 119 N 2.54 2.77 -0.15 0.00 2.19 -1.04 -1.74 117.98 122.55 1poz s PHE 119 Ca -0.01 0.49 -0.16 0.00 0.33 0.00 0.00 56.93 57.58 1poz s PHE 119 Cb -0.07 -4.34 -0.04 0.00 -1.31 0.00 0.00 43.02 37.25 1poz s PHE 119 CO -0.17 -1.34 0.37 0.54 1.83 0.00 0.00 175.22 176.45 1poz s ASN 120 N 2.61 6.53 0.51 6.13 4.22 -0.48 -0.71 114.94 133.75 1poz s ASN 120 Ca 0.43 0.62 0.17 0.00 -2.14 0.00 0.00 52.86 51.94 1poz s ASN 120 Cb -0.08 -2.23 1.26 0.00 1.28 0.00 0.00 41.25 41.48 1poz s ASN 120 CO 0.28 0.04 2.13 0.00 -2.04 0.00 0.00 177.10 177.51 1poz h ALA 121 N 6.78 1.91 -0.95 3.54 0.00 -1.79 -1.59 119.26 127.16 1poz h ALA 121 Ca -0.40 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.64 1poz h ALA 121 Cb 1.17 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1poz h ALA 121 CO 0.75 0.04 0.60 1.03 0.00 0.00 0.00 179.25 181.68 1poz h SER 122 N 0.00 0.68 -3.60 0.00 0.87 -1.82 -3.36 113.55 106.33 1poz h SER 122 Ca -0.00 0.06 -0.64 0.00 -1.23 0.00 0.00 61.79 59.98 1poz h SER 122 Cb 0.06 -0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 61.81 1poz h SER 122 CO 0.00 0.31 0.23 0.00 -0.53 0.00 0.00 176.83 176.84 1poz s ALA 123 N -5.72 3.35 1.16 6.23 0.00 -0.60 -5.05 121.76 121.13 1poz s ALA 123 Ca -0.10 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 1poz s ALA 123 Cb 0.23 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 20.22 1poz s ALA 123 CO 0.79 -1.74 0.57 -2.30 0.00 0.00 0.00 175.76 173.09 1poz n PRO 124 N 6.41 -2.16 -1.35 0.00 -0.02 -1.26 -3.73 135.00 132.89 1poz n PRO 124 Ca 0.00 -0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 60.47 1poz n PRO 124 Cb 0.48 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1poz n PRO 124 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1poz n PRO 125 N -3.73 1.57 0.00 0.52 -0.04 -1.22 -1.11 135.00 130.99 1poz n PRO 125 Ca 0.02 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1poz n PRO 125 Cb 0.58 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1poz n PRO 125 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1poz n GLU 126 N 7.24 0.00 0.00 0.54 2.13 -1.12 -4.80 120.64 124.63 1poz n GLU 126 Ca 0.49 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1poz n GLU 126 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1poz n GLU 126 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1poz n GLU 127 N 0.00 0.00 0.00 5.31 -0.58 -1.22 0.18 120.64 124.33 1poz n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1poz n GLU 127 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1poz n GLU 127 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1poz n ASP 128 N -1.43 0.05 -1.34 1.62 2.03 0.32 -4.57 116.55 113.23 1poz n ASP 128 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1poz n ASP 128 Cb 0.00 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 40.70 1poz n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1poz n THR 130 N 1.17 0.29 -1.35 0.00 -1.04 -1.26 -4.70 114.28 107.38 1poz n THR 130 Ca 0.22 -0.05 -0.59 0.00 -2.04 0.00 0.00 64.05 61.59 1poz n THR 130 Cb 0.69 -1.20 -0.11 0.00 -1.82 0.00 0.00 70.33 67.89 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 5.16 1.11 0.00 8.00 3.41 -1.26 -4.80 113.62 125.25 1poz n SER 131 Ca 0.26 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1poz n SER 131 Cb 0.14 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1poz n SER 131 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1poz n VAL 132 N 6.34 0.00 0.00 -3.33 0.31 -1.26 -4.71 118.33 115.68 1poz n VAL 132 Ca 0.49 0.56 0.00 0.00 -0.01 0.00 0.00 64.34 65.39 1poz n VAL 132 Cb 0.02 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 -0.10 0.00 -3.00 2.52 5.66 -1.26 -4.89 114.28 113.21 1poz n THR 133 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1poz n THR 133 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1poz n THR 133 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1poz s ASP 134 N -0.73 6.31 -0.37 1.09 1.47 -1.26 -4.83 116.67 118.34 1poz s ASP 134 Ca 0.00 -0.52 0.11 0.00 1.18 0.00 0.00 52.55 53.33 1poz s ASP 134 Cb 0.00 -2.36 0.44 0.00 -0.34 0.00 0.00 42.92 40.66 1poz s ASP 134 CO 0.00 -1.01 1.05 0.18 0.68 0.00 0.00 175.17 176.08 1poz n LEU 135 N 6.75 3.25 0.00 2.11 7.99 -1.26 -4.69 117.00 131.15 1poz n LEU 135 Ca -0.02 -4.46 0.00 0.00 -0.01 0.00 0.00 56.01 51.53 1poz n LEU 135 Cb 0.47 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1poz n LEU 135 CO 0.58 1.89 0.29 -2.65 -1.51 0.00 0.00 177.39 175.99 1poz n PRO 136 N -0.34 0.00 -0.25 3.23 -0.02 -1.23 -1.73 135.00 134.66 1poz n PRO 136 Ca 0.26 0.09 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1poz n PRO 136 Cb 0.76 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.94 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1poz n ASN 137 N -1.08 2.54 -0.08 2.55 3.02 0.10 -4.88 115.26 117.44 1poz n ASN 137 Ca 0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 1poz n ASN 137 Cb 0.00 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.83 0.00 -2.00 5.41 0.00 -0.70 -4.50 120.51 119.54 1poz n ALA 138 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1poz n ALA 138 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1poz n ALA 138 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1poz n PHE 139 N 0.00 0.00 -1.33 0.00 -1.74 -1.26 -5.01 117.46 108.13 1poz n PHE 139 Ca 0.00 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.49 1poz n PHE 139 Cb 0.00 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.01 1poz n PHE 139 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1poz n ASP 140 N 0.00 -2.60 0.03 5.98 8.00 -1.26 -4.57 116.55 122.13 1poz n ASP 140 Ca 0.00 0.75 0.11 0.00 0.71 0.00 0.00 54.79 56.36 1poz n ASP 140 Cb 0.00 -0.95 -0.07 0.00 -0.02 0.00 0.00 41.12 40.08 1poz n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1poz n GLY 141 N 2.23 -1.18 0.29 0.44 0.00 -1.25 -1.82 105.19 103.91 1poz n GLY 141 Ca 0.10 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.23 -0.07 -1.81 1.61 -0.02 -1.24 -1.94 135.00 129.30 1poz n PRO 142 Ca -0.01 1.27 -0.38 0.00 -2.02 0.00 0.00 63.50 62.36 1poz n PRO 142 Cb 0.51 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 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 -5.99 3.20 -0.78 4.25 1.09 0.39 -4.61 121.20 118.75 1poz s ILE 143 Ca -0.12 0.13 -0.26 0.00 -1.10 0.00 0.00 60.65 59.30 1poz s ILE 143 Cb 0.23 -3.48 -0.14 0.00 -1.06 0.00 0.00 42.46 38.00 1poz s ILE 143 CO 0.64 -0.45 2.42 0.41 -0.10 0.00 0.00 174.94 177.86 1poz n THR 144 N 7.59 -0.00 -2.56 2.92 -1.04 -1.25 -1.82 114.28 118.11 1poz n THR 144 Ca 0.28 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 1poz n THR 144 Cb 0.52 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 1poz n THR 144 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1poz s ILE 145 N 14.67 3.94 -0.60 12.58 1.01 0.19 -1.53 121.20 151.46 1poz s ILE 145 Ca 0.94 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1poz s ILE 145 Cb -0.14 -5.07 0.15 0.00 0.01 0.00 0.00 42.46 37.41 1poz s ILE 145 CO 0.09 -1.94 0.50 -0.89 0.00 0.00 0.00 174.94 172.69 1poz s THR 146 N 4.93 4.66 -0.23 2.92 2.01 -1.17 -0.42 115.64 128.34 1poz s THR 146 Ca 0.47 -2.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.08 1poz s THR 146 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1poz s THR 146 CO -0.08 -0.88 0.97 -0.63 -0.69 0.00 0.00 174.62 173.31 1poz s ILE 147 N 0.85 4.74 0.06 1.82 1.09 -0.39 -1.22 121.20 128.15 1poz s ILE 147 Ca 0.10 1.87 -0.21 0.00 -1.10 0.00 0.00 60.65 61.31 1poz s ILE 147 Cb -0.22 -4.24 -0.06 0.00 -1.06 0.00 0.00 42.46 36.88 1poz s ILE 147 CO -0.03 -0.14 0.62 -0.69 -0.10 0.00 0.00 174.94 174.60 1poz s VAL 148 N 3.05 4.74 -0.06 2.92 1.01 0.41 -1.76 120.40 130.71 1poz s VAL 148 Ca 0.41 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1poz s VAL 148 Cb -0.15 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1poz s VAL 148 CO 0.07 0.50 0.29 0.21 0.00 0.00 0.00 175.10 176.17 1poz s ASN 149 N -0.77 6.61 0.00 3.32 3.04 0.17 -0.27 114.94 127.05 1poz s ASN 149 Ca 0.31 0.73 0.00 0.00 0.04 0.00 0.00 52.86 53.95 1poz s ASN 149 Cb -0.20 -2.17 0.02 0.00 -1.54 0.00 0.00 41.25 37.36 1poz s ASN 149 CO 0.20 0.34 0.77 0.54 -3.04 0.00 0.00 177.10 175.90 1poz n ARG 150 N 2.02 0.01 -0.45 0.43 5.12 -0.37 -0.49 116.66 122.93 1poz n ARG 150 Ca -0.16 0.25 0.09 0.00 -1.93 0.00 0.00 57.85 56.10 1poz n ARG 150 Cb 0.53 -1.50 0.30 0.00 -1.16 0.00 0.00 32.46 30.63 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 -1.25 3.88 -0.69 0.55 -0.08 -1.26 -4.91 116.55 112.78 1poz n ASP 151 Ca 0.00 -2.22 -0.00 0.00 -1.51 0.00 0.00 54.79 51.05 1poz n ASP 151 Cb 0.00 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 42.97 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1poz n GLY 152 N 1.24 0.79 3.47 0.27 0.00 0.36 -5.08 105.19 106.24 1poz n GLY 152 Ca 0.22 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1poz n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1poz s THR 153 N -3.01 1.23 -0.20 2.61 -4.23 -1.06 -4.95 115.64 106.03 1poz s THR 153 Ca 0.01 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 1poz s THR 153 Cb -0.00 -2.79 0.08 0.00 1.34 0.00 0.00 72.50 71.12 1poz s THR 153 CO 0.01 0.00 0.45 0.00 -0.54 0.00 0.00 174.62 174.54 1poz s ARG 154 N -3.87 0.40 -0.20 3.99 1.70 -1.26 -0.65 118.95 119.05 1poz s ARG 154 Ca 0.36 0.95 0.00 0.00 -0.47 0.00 0.00 55.73 56.57 1poz s ARG 154 Cb 0.09 0.16 0.05 0.00 -0.57 0.00 0.00 34.95 34.67 1poz s ARG 154 CO 0.16 -0.19 -0.07 1.52 -1.08 0.00 0.00 175.30 175.64 1poz s TYR 155 N 1.93 2.15 0.18 5.89 1.13 -0.72 -4.99 117.35 122.91 1poz s TYR 155 Ca -0.07 -1.48 -0.22 0.00 -1.41 0.00 0.00 57.07 53.89 1poz s TYR 155 Cb -0.10 -1.50 -0.08 0.00 -1.10 0.00 0.00 41.96 39.18 1poz s TYR 155 CO -0.14 -0.71 0.73 0.54 -2.51 0.00 0.00 175.55 173.46 1poz s VAL 156 N 1.48 4.50 -0.18 -3.49 0.11 -1.26 -1.26 120.40 120.30 1poz s VAL 156 Ca -0.02 1.47 -0.27 0.00 -2.93 0.00 0.00 61.98 60.22 1poz s VAL 156 Cb -0.17 -3.99 0.07 0.00 -1.53 0.00 0.00 36.38 30.76 1poz s VAL 156 CO -0.07 0.40 0.71 -1.58 -3.33 0.00 0.00 175.10 171.23 1poz s GLN 157 N -1.48 0.92 0.14 1.54 -0.44 0.44 -4.92 119.66 115.87 1poz s GLN 157 Ca 0.38 0.69 -0.30 0.00 -2.50 0.00 0.00 55.36 53.63 1poz s GLN 157 Cb -0.20 0.44 -0.07 0.00 -1.64 0.00 0.00 33.01 31.54 1poz s GLN 157 CO 0.23 -0.19 1.22 -1.59 0.50 0.00 0.00 175.29 175.46 1poz s LYS 158 N -0.26 4.46 0.00 1.67 0.00 -1.26 0.56 119.74 124.90 1poz s LYS 158 Ca -0.04 1.87 0.00 0.00 0.00 0.00 0.00 55.97 57.80 1poz s LYS 158 Cb -0.03 -3.27 0.00 0.00 0.00 0.00 0.00 37.83 34.53 1poz s LYS 158 CO 0.05 -0.17 0.00 0.41 0.00 0.00 0.00 175.35 175.63 1poz n GLY 159 N 2.62 0.99 0.00 0.59 0.00 -0.76 -4.72 105.19 103.91 1poz n GLY 159 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1poz n GLY 159 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1poz n GLU 160 N 0.00 0.00 0.00 1.61 2.13 -0.75 -0.46 120.64 123.17 1poz n GLU 160 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1poz n GLU 160 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1poz n GLU 160 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1poz n TYR 161 N -0.09 0.00 -0.02 4.31 0.18 -1.26 -4.04 117.16 116.24 1poz n TYR 161 Ca 0.00 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.62 1poz n TYR 161 Cb 0.00 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.82 1poz n TYR 161 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1poz n ARG 162 N -0.63 0.70 -1.80 -3.48 5.12 -1.26 -4.90 116.66 110.41 1poz n ARG 162 Ca 0.00 0.25 -0.20 0.00 -1.93 0.00 0.00 57.85 55.96 1poz n ARG 162 Cb 0.00 -1.71 -0.07 0.00 -1.16 0.00 0.00 32.46 29.52 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1poz n THR 163 N -3.27 -0.25 -3.87 0.55 -1.04 -1.26 -4.93 114.28 100.21 1poz n THR 163 Ca -0.28 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.43 1poz n THR 163 Cb 1.05 -2.21 -0.12 0.00 -1.82 0.00 0.00 70.33 67.24 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 -2.60 4.89 0.00 8.00 0.01 -1.26 -4.92 114.94 119.05 1poz s ASN 164 Ca 0.00 -3.61 0.00 0.00 -0.71 0.00 0.00 52.86 48.54 1poz s ASN 164 Cb 0.00 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 39.98 1poz s ASN 164 CO 0.00 -0.14 0.88 -2.65 -1.51 0.00 0.00 177.10 173.68 1poz n PRO 165 N 2.33 0.00 0.09 -0.60 -0.02 -1.26 -1.56 135.00 133.98 1poz n PRO 165 Ca 0.16 0.39 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1poz n PRO 165 Cb 0.35 -1.58 0.40 0.00 -0.02 0.00 0.00 33.50 32.64 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 0.11 0.00 -0.52 2.13 -1.26 -1.26 120.64 118.45 1poz n GLU 166 Ca 0.00 0.45 0.14 0.00 0.66 0.00 0.00 57.16 58.41 1poz n GLU 166 Cb 0.08 -1.75 0.63 0.00 0.27 0.00 0.00 31.44 30.67 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 -1.96 0.87 -0.08 4.31 -0.08 -0.60 -3.90 116.55 115.11 1poz n ASP 167 Ca 0.01 -1.11 -0.10 0.00 -1.51 0.00 0.00 54.79 52.08 1poz n ASP 167 Cb 0.13 -0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.51 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 -0.44 0.91 -3.78 5.18 5.41 -0.39 -4.83 119.36 121.43 1poz n ILE 168 Ca 0.18 -0.39 -0.34 0.00 1.00 0.00 0.00 62.75 63.21 1poz n ILE 168 Cb 0.28 -0.99 -0.10 0.00 -0.71 0.00 0.00 39.64 38.12 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 -2.32 3.49 1.08 1.39 2.02 -1.17 -4.99 117.35 116.85 1poz s TYR 169 Ca -0.19 -2.98 -0.18 0.00 -0.37 0.00 0.00 57.07 53.35 1poz s TYR 169 Cb 0.05 -3.06 0.06 0.00 -0.40 0.00 0.00 41.96 38.61 1poz s TYR 169 CO 0.40 -0.75 -0.10 -2.30 -1.57 0.00 0.00 175.55 171.23 1poz n PRO 170 N 2.91 -1.19 -1.22 -1.71 -0.02 -1.26 -4.79 135.00 127.72 1poz n PRO 170 Ca 0.12 -0.33 0.16 0.00 -2.02 0.00 0.00 63.50 61.43 1poz n PRO 170 Cb 0.36 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 1poz n PRO 170 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1poz n SER 171 N -0.98 -7.35 -4.26 2.55 2.88 -1.26 -4.73 113.62 100.46 1poz n SER 171 Ca 0.01 0.83 -0.40 0.00 -1.33 0.00 0.00 58.87 57.98 1poz n SER 171 Cb 0.62 -3.93 -0.10 0.00 -0.75 0.00 0.00 64.21 60.05 1poz n SER 171 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1poz s ASN 172 N -6.84 5.62 0.23 -3.46 3.84 -1.26 -5.07 114.94 107.99 1poz s ASN 172 Ca 0.00 -1.53 -0.30 0.00 0.21 0.00 0.00 52.86 51.24 1poz s ASN 172 Cb 0.00 -1.98 -0.10 0.00 -0.55 0.00 0.00 41.25 38.62 1poz s ASN 172 CO 0.00 -0.54 1.43 -2.16 -2.79 0.00 0.00 177.10 173.04 1poz s PRO 173 N 1.41 4.28 -0.00 0.43 0.04 -1.26 -4.92 135.00 134.98 1poz s PRO 173 Ca 0.03 2.26 0.07 0.00 0.04 0.00 0.00 61.00 63.40 1poz s PRO 173 Cb -0.23 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 1poz s PRO 173 CO 0.02 -0.41 0.27 0.25 0.04 0.00 0.00 177.00 177.17 1poz n THR 174 N 2.53 0.00 -1.70 1.26 -2.24 -1.26 -5.01 114.28 107.86 1poz n THR 174 Ca 0.07 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1poz n THR 174 Cb 0.41 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1poz n THR 174 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1poz n ASP 175 N -1.27 4.00 -4.75 3.42 2.03 -1.26 -4.92 116.55 113.81 1poz n ASP 175 Ca 0.01 1.02 -0.41 0.00 0.52 0.00 0.00 54.79 55.93 1poz n ASP 175 Cb 0.12 -1.55 0.01 0.00 -0.72 0.00 0.00 41.12 38.97 1poz n ASP 175 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1poz n ASP 176 N 4.92 3.30 0.00 1.67 2.03 -1.26 -4.95 116.55 122.26 1poz n ASP 176 Ca 0.17 1.18 -0.00 0.00 0.52 0.00 0.00 54.79 56.66 1poz n ASP 176 Cb 0.36 -1.58 -0.00 0.00 -0.72 0.00 0.00 41.12 39.19 1poz n ASP 176 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1poz n ASP 177 N 0.29 0.03 0.00 1.67 8.00 -1.26 -5.28 116.55 119.99 1poz n ASP 177 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1poz n ASP 177 Cb 0.39 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1poz n ASP 177 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36