#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 1.20 -0.18 0.00 1.03 -1.26 -2.17 119.66 118.28 1poz s GLN 21 Ca 0.00 -0.24 -0.18 0.00 0.04 0.00 0.00 55.36 54.98 1poz s GLN 21 Cb 0.00 0.56 0.05 0.00 0.03 0.00 0.00 33.01 33.65 1poz s GLN 21 CO 0.00 -0.48 0.50 0.42 -2.54 0.00 0.00 175.29 173.19 1poz s ILE 22 N -2.94 0.00 -0.32 3.63 1.09 -0.55 -4.72 121.20 117.39 1poz s ILE 22 Ca -0.03 -0.02 -0.12 0.00 -1.10 0.00 0.00 60.65 59.38 1poz s ILE 22 Cb -0.01 -0.71 -0.03 0.00 -1.06 0.00 0.00 42.46 40.66 1poz s ILE 22 CO -0.06 -0.01 0.23 -1.81 -0.10 0.00 0.00 174.94 173.19 1poz s ASP 23 N 0.13 6.04 0.44 3.58 1.11 -1.26 -3.11 116.67 123.61 1poz s ASP 23 Ca -0.01 -0.31 0.03 0.00 0.18 0.00 0.00 52.55 52.44 1poz s ASP 23 Cb -0.03 -2.13 0.01 0.00 1.07 0.00 0.00 42.92 41.83 1poz s ASP 23 CO 0.01 -0.19 0.63 -0.76 1.18 0.00 0.00 175.17 176.05 1poz s LEU 24 N 1.73 3.63 -0.30 1.23 1.02 0.93 -0.18 118.68 126.75 1poz s LEU 24 Ca 0.06 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.21 1poz s LEU 24 Cb -0.17 -2.90 0.19 0.00 0.02 0.00 0.00 46.19 43.33 1poz s LEU 24 CO 0.11 -0.76 0.60 0.21 0.02 0.00 0.00 176.35 176.52 1poz s ASN 25 N -4.28 -1.49 0.15 2.29 2.47 -0.79 -2.27 114.94 111.01 1poz s ASN 25 Ca 0.51 0.59 0.08 0.00 0.42 0.00 0.00 52.86 54.46 1poz s ASN 25 Cb -0.10 2.11 -0.04 0.00 -1.45 0.00 0.00 41.25 41.77 1poz s ASN 25 CO 0.36 -0.28 -0.19 0.27 -3.72 0.00 0.00 177.10 173.54 1poz s ILE 26 N 2.85 1.80 -0.11 -5.21 -4.36 0.15 0.14 121.20 116.47 1poz s ILE 26 Ca 0.16 -1.81 -0.23 0.00 -0.26 0.00 0.00 60.65 58.52 1poz s ILE 26 Cb -0.13 -1.77 -0.28 0.00 1.25 0.00 0.00 42.46 41.54 1poz s ILE 26 CO -0.23 -0.23 0.71 0.74 0.24 0.00 0.00 174.94 176.17 1poz h THR 27 N 3.50 1.43 0.00 8.37 2.02 -1.43 1.40 112.91 128.20 1poz h THR 27 Ca -0.44 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1poz h THR 27 Cb 1.20 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 70.66 1poz h THR 27 CO 0.47 0.64 0.00 0.00 0.37 0.00 0.00 175.52 177.00 1poz s ARG 29 N -2.06 3.61 0.01 0.00 3.52 -0.69 -2.79 118.95 120.55 1poz s ARG 29 Ca 0.00 -2.96 -0.23 0.00 -0.13 0.00 0.00 55.73 52.41 1poz s ARG 29 Cb 0.00 -4.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.08 1poz s ARG 29 CO 0.00 -1.25 0.69 -0.06 -0.81 0.00 0.00 175.30 173.87 1poz s PHE 30 N -0.78 3.70 -0.83 5.12 0.40 0.53 0.19 117.98 126.31 1poz s PHE 30 Ca 0.25 1.33 0.00 0.00 -0.60 0.00 0.00 56.93 57.91 1poz s PHE 30 Cb -0.11 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.69 1poz s PHE 30 CO -0.09 0.28 0.00 0.00 0.70 0.00 0.00 175.22 176.11 1poz n ALA 31 N 2.89 -0.70 -0.44 5.36 0.00 0.28 0.13 120.51 128.03 1poz n ALA 31 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1poz n ALA 31 Cb 0.51 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.62 0.78 3.19 0.00 0.00 -0.34 -3.07 105.19 105.13 1poz n GLY 32 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.03 2.26 -0.12 1.61 1.01 0.35 -1.88 120.40 121.60 1poz s VAL 33 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1poz s VAL 33 Cb 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1poz s VAL 33 CO 0.00 0.53 -0.14 0.12 0.00 0.00 0.00 175.10 175.62 1poz s PHE 34 N 0.95 1.91 -0.16 5.22 5.36 -1.01 0.20 117.98 130.45 1poz s PHE 34 Ca -0.03 -0.95 -0.29 0.00 -0.96 0.00 0.00 56.93 54.69 1poz s PHE 34 Cb -0.15 -1.42 -0.00 0.00 -0.34 0.00 0.00 43.02 41.11 1poz s PHE 34 CO -0.04 -0.52 1.02 -1.58 -1.46 0.00 0.00 175.22 172.64 1poz s HIS 35 N 1.22 3.44 0.21 10.12 5.65 -1.12 -2.92 115.29 131.89 1poz s HIS 35 Ca -0.02 1.54 0.07 0.00 0.25 0.00 0.00 55.06 56.90 1poz s HIS 35 Cb -0.14 -3.22 -0.04 0.00 -1.18 0.00 0.00 32.58 28.00 1poz s HIS 35 CO -0.05 -0.33 0.12 0.54 -0.65 0.00 0.00 174.74 174.37 1poz s VAL 36 N 2.51 4.19 0.20 0.89 0.11 0.16 -1.23 120.40 127.24 1poz s VAL 36 Ca 0.46 -1.39 -0.13 0.00 -2.93 0.00 0.00 61.98 58.00 1poz s VAL 36 Cb -0.17 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1poz s VAL 36 CO 0.13 -0.24 0.42 -1.61 -3.33 0.00 0.00 175.10 170.46 1poz s GLU 37 N -3.45 1.35 -0.45 1.54 2.02 0.36 -1.80 118.70 118.27 1poz s GLU 37 Ca 0.31 -1.12 0.03 0.00 0.02 0.00 0.00 54.97 54.21 1poz s GLU 37 Cb -0.09 0.45 0.15 0.00 0.10 0.00 0.00 34.13 34.75 1poz s GLU 37 CO 0.23 -0.54 0.31 0.21 0.02 0.00 0.00 175.26 175.48 1poz s LYS 38 N -3.96 1.19 -0.44 1.61 2.47 -1.26 -1.88 119.74 117.46 1poz s LYS 38 Ca 0.17 -2.12 -0.06 0.00 -1.56 0.00 0.00 55.97 52.40 1poz s LYS 38 Cb 0.01 -1.98 0.06 0.00 -1.46 0.00 0.00 37.83 34.45 1poz s LYS 38 CO 0.02 -1.27 0.14 -1.71 0.16 0.00 0.00 175.35 172.69 1poz n ASN 39 N 3.15 -0.64 -0.04 1.43 5.15 0.75 -4.56 115.26 120.49 1poz n ASN 39 Ca 0.18 -0.18 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1poz n ASN 39 Cb 0.40 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 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 -0.50 -0.31 1.81 8.20 0.00 -1.26 -4.94 105.19 108.19 1poz n GLY 40 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.46 -0.31 -0.35 1.61 1.85 -1.26 0.11 116.66 115.85 1poz n ARG 41 Ca -0.15 0.42 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1poz n ARG 41 Cb 0.74 -0.55 0.00 0.00 -1.05 0.00 0.00 32.46 31.59 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 0.61 0.00 -1.92 2.89 4.01 -1.26 -4.76 117.16 116.73 1poz n TYR 42 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 1poz n TYR 42 Cb 0.25 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.00 1.36 -4.88 7.72 7.64 0.30 -1.33 113.62 124.43 1poz n SER 43 Ca 0.00 -2.95 -0.37 0.00 1.01 0.00 0.00 58.87 56.57 1poz n SER 43 Cb 0.00 -0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.71 5.45 0.39 0.44 1.01 -1.02 -4.56 121.20 121.19 1poz s ILE 44 Ca 0.33 0.24 0.08 0.00 0.00 0.00 0.00 60.65 61.29 1poz s ILE 44 Cb 0.34 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1poz s ILE 44 CO -0.09 0.59 0.44 -0.55 0.00 0.00 0.00 174.94 175.32 1poz s SER 45 N -1.12 5.46 0.28 3.58 0.15 -1.26 -3.02 113.70 117.76 1poz s SER 45 Ca 0.17 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.33 1poz s SER 45 Cb -0.13 -0.80 0.40 0.00 -1.71 0.00 0.00 66.02 63.78 1poz s SER 45 CO 0.06 -0.58 1.78 -0.09 1.20 0.00 0.00 173.24 175.60 1poz h ARG 46 N 0.93 0.70 0.03 5.44 2.43 -1.96 -1.91 114.38 120.04 1poz h ARG 46 Ca -0.42 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 1poz h ARG 46 Cb 1.27 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1poz h ARG 46 CO 0.53 0.74 -0.12 1.79 -1.51 0.00 0.00 179.97 181.40 1poz h THR 47 N 0.65 0.00 0.42 0.20 1.35 -1.98 0.29 112.91 113.84 1poz h THR 47 Ca 0.13 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.97 1poz h THR 47 Cb 0.46 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1poz h THR 47 CO 0.02 0.00 -0.20 -0.33 -0.25 0.00 0.00 175.52 174.76 1poz h GLU 48 N -0.17 -0.54 0.00 4.72 5.08 -1.96 -2.38 114.58 119.33 1poz h GLU 48 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1poz h GLU 48 Cb 0.17 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1poz h GLU 48 CO -0.06 -0.30 0.00 0.00 -1.00 0.00 0.00 179.01 177.65 1poz n ALA 49 N -2.40 -0.19 -0.37 3.43 0.00 -0.72 -1.60 120.51 118.67 1poz n ALA 49 Ca -0.11 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.63 1poz n ALA 49 Cb 0.26 0.27 0.56 0.00 0.00 0.00 0.00 19.45 20.54 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 -1.50 2.30 -0.52 0.00 0.00 -0.51 0.46 119.26 119.49 1poz h ALA 50 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1poz h ALA 50 Cb 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1poz h ALA 50 CO 0.00 -0.94 0.20 -0.44 0.00 0.00 0.00 179.25 178.07 1poz h ASP 51 N 0.17 0.22 0.03 0.00 3.32 -0.74 -1.64 116.42 117.78 1poz h ASP 51 Ca 0.78 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.89 1poz h ASP 51 Cb 2.11 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.69 1poz h ASP 51 CO -0.56 0.15 -0.02 0.25 -1.72 0.00 0.00 179.24 177.35 1poz h LEU 52 N 0.39 -0.04 -1.97 1.55 6.46 0.31 -0.17 115.31 121.83 1poz h LEU 52 Ca 0.25 -0.59 0.44 0.00 -0.12 0.00 0.00 57.88 57.86 1poz h LEU 52 Cb 0.25 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 1poz h LEU 52 CO -0.24 0.59 1.12 0.00 -0.62 0.00 0.00 178.44 179.30 1poz n LYS 54 N -4.03 0.64 -0.33 0.00 2.85 -0.63 -3.32 118.16 113.34 1poz n LYS 54 Ca 0.34 0.30 0.23 0.00 -1.05 0.00 0.00 58.31 58.12 1poz n LYS 54 Cb 1.60 -1.79 0.45 0.00 -0.65 0.00 0.00 35.03 34.64 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 0.95 1.84 -1.49 0.58 0.00 0.70 -0.50 119.26 121.34 1poz h ALA 55 Ca -0.29 0.21 -0.72 0.00 0.00 0.00 0.00 54.91 54.11 1poz h ALA 55 Cb 2.01 0.22 -0.32 0.00 0.00 0.00 0.00 17.79 19.70 1poz h ALA 55 CO 0.08 -0.60 0.43 1.97 0.00 0.00 0.00 179.25 181.14 1poz n PHE 56 N -5.12 3.21 -2.70 0.00 -1.74 -1.07 0.55 117.46 110.59 1poz n PHE 56 Ca 0.30 -2.93 -0.20 0.00 -0.56 0.00 0.00 57.45 54.06 1poz n PHE 56 Cb 0.96 -0.90 0.02 0.00 1.52 0.00 0.00 39.48 41.08 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 -0.25 -4.18 -4.06 5.98 0.23 -0.19 -4.58 115.26 108.20 1poz n ASN 57 Ca 0.44 0.01 -0.10 0.00 -0.53 0.00 0.00 54.58 54.39 1poz n ASN 57 Cb 0.33 -1.14 -0.07 0.00 -2.08 0.00 0.00 39.78 36.82 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1poz s SER 58 N -0.94 -0.01 0.15 0.53 0.01 -1.21 -1.18 113.70 111.05 1poz s SER 58 Ca 0.19 -1.08 0.10 0.00 1.31 0.00 0.00 55.95 56.47 1poz s SER 58 Cb -0.02 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1poz s SER 58 CO 0.43 -1.04 -0.22 0.42 0.41 0.00 0.00 173.24 173.24 1poz s THR 59 N -4.06 2.01 0.36 1.44 -4.23 -0.69 -4.55 115.64 105.91 1poz s THR 59 Ca 0.28 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 58.80 1poz s THR 59 Cb 0.02 -1.87 -0.13 0.00 1.34 0.00 0.00 72.50 71.86 1poz s THR 59 CO 0.10 -0.11 0.03 0.18 -0.54 0.00 0.00 174.62 174.28 1poz n LEU 60 N 0.63 -2.55 -4.57 4.79 4.32 -1.26 -2.63 117.00 115.72 1poz n LEU 60 Ca -0.16 0.65 -0.14 0.00 -0.02 0.00 0.00 56.01 56.35 1poz n LEU 60 Cb 0.55 -0.73 -0.10 0.00 -1.62 0.00 0.00 43.42 41.52 1poz n LEU 60 CO 0.26 -3.62 1.12 -0.81 -1.22 0.00 0.00 177.39 173.12 1poz n PRO 61 N 1.15 0.25 -1.45 3.23 -0.04 -1.20 -4.56 135.00 132.38 1poz n PRO 61 Ca 0.09 -1.38 -0.30 0.00 -0.04 0.00 0.00 63.50 61.87 1poz n PRO 61 Cb 0.35 -3.82 0.11 0.00 -0.04 0.00 0.00 33.50 30.10 1poz n PRO 61 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1poz s THR 62 N 16.32 2.90 0.26 0.52 2.01 -1.26 -0.05 115.64 136.34 1poz s THR 62 Ca 0.85 0.29 0.14 0.00 0.31 0.00 0.00 61.69 63.29 1poz s THR 62 Cb -0.08 -2.96 0.06 0.00 0.01 0.00 0.00 72.50 69.53 1poz s THR 62 CO 0.15 -0.38 1.71 -0.03 -0.69 0.00 0.00 174.62 175.39 1poz h MET 63 N -1.24 0.00 0.02 4.92 4.05 -1.99 -2.46 114.93 118.23 1poz h MET 63 Ca -0.48 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1poz h MET 63 Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1poz h MET 63 CO 0.58 0.47 -0.01 0.00 0.23 0.00 0.00 176.91 178.18 1poz h ALA 64 N 1.53 -0.03 -0.34 0.39 0.00 -1.98 -2.16 119.26 116.67 1poz h ALA 64 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1poz h ALA 64 Cb 0.91 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1poz h ALA 64 CO 0.06 -0.16 0.12 1.96 0.00 0.00 0.00 179.25 181.23 1poz h GLN 65 N -0.75 0.48 0.04 0.00 4.20 -1.95 -2.08 115.11 115.06 1poz h GLN 65 Ca -0.00 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1poz h GLN 65 Cb 0.68 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1poz h GLN 65 CO 0.01 0.41 -0.02 0.52 -0.67 0.00 0.00 178.83 179.08 1poz h MET 66 N 0.48 -0.05 -0.78 1.46 2.86 -1.50 -2.76 114.93 114.63 1poz h MET 66 Ca 0.12 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1poz h MET 66 Cb 0.12 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1poz h MET 66 CO -0.01 0.52 0.49 1.05 1.06 0.00 0.00 176.91 180.02 1poz h GLU 67 N -0.67 0.90 0.41 1.72 4.11 -1.27 0.21 114.58 119.98 1poz h GLU 67 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1poz h GLU 67 Cb 0.60 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1poz h GLU 67 CO 0.01 0.59 -0.20 0.87 0.07 0.00 0.00 179.01 180.36 1poz h LYS 68 N 0.92 -0.53 0.00 1.06 1.57 -1.46 0.91 116.57 119.05 1poz h LYS 68 Ca 0.33 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1poz h LYS 68 Cb 0.08 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1poz h LYS 68 CO -0.14 -0.34 -0.04 0.00 -0.57 0.00 0.00 179.45 178.36 1poz h ALA 69 N 0.03 1.16 0.12 3.86 0.00 -1.19 -1.70 119.26 121.56 1poz h ALA 69 Ca -0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1poz h ALA 69 Cb 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1poz h ALA 69 CO 0.09 0.05 -1.22 -0.07 0.00 0.00 0.00 179.25 178.10 1poz h LEU 70 N 0.00 0.51 0.00 0.00 3.38 0.26 -1.68 115.31 117.77 1poz h LEU 70 Ca -0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1poz h LEU 70 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1poz h LEU 70 CO 0.01 1.38 -0.05 -1.54 0.09 0.00 0.00 178.44 178.33 1poz n SER 71 N -3.60 0.12 -0.88 -0.43 3.41 0.24 -2.87 113.62 109.60 1poz n SER 71 Ca -0.09 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1poz n SER 71 Cb 1.00 -0.46 0.26 0.00 -0.26 0.00 0.00 64.21 64.75 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1poz n ILE 72 N -1.57 0.25 -1.10 -1.33 -6.64 -0.71 -4.96 119.36 103.30 1poz n ILE 72 Ca 0.07 -0.53 0.00 0.00 -1.77 0.00 0.00 62.75 60.52 1poz n ILE 72 Cb 0.35 0.90 0.00 0.00 -1.44 0.00 0.00 39.64 39.45 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 1.34 0.86 2.98 3.28 0.00 -1.14 -4.97 105.19 107.54 1poz n GLY 73 Ca 0.17 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.67 0.56 -0.14 1.61 2.19 -0.64 -5.01 117.98 113.88 1poz s PHE 74 Ca 0.00 -0.11 -0.34 0.00 0.33 0.00 0.00 56.93 56.81 1poz s PHE 74 Cb 0.00 -0.36 0.13 0.00 -1.31 0.00 0.00 43.02 41.48 1poz s PHE 74 CO 0.00 -0.01 1.17 -1.83 1.83 0.00 0.00 175.22 176.38 1poz s GLU 75 N -0.17 0.40 0.00 10.12 4.04 -1.26 -4.44 118.70 127.39 1poz s GLU 75 Ca 0.02 -0.16 0.00 0.00 0.04 0.00 0.00 54.97 54.87 1poz s GLU 75 Cb -0.02 0.18 0.00 0.00 0.02 0.00 0.00 34.13 34.30 1poz s GLU 75 CO -0.00 -0.18 0.16 0.25 -1.84 0.00 0.00 175.26 173.65 1poz n THR 76 N -0.15 0.00 -1.20 1.83 -2.24 -1.26 -4.98 114.28 106.27 1poz n THR 76 Ca -0.02 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1poz n THR 76 Cb 0.59 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.80 1poz n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz n ARG 78 N -0.84 0.79 -2.98 0.00 1.74 -1.26 -4.71 116.66 109.39 1poz n ARG 78 Ca -0.10 -3.15 -0.44 0.00 -0.77 0.00 0.00 57.85 53.39 1poz n ARG 78 Cb 0.49 1.22 -0.04 0.00 -1.02 0.00 0.00 32.46 33.11 1poz n ARG 78 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1poz s TYR 79 N -2.74 2.88 -0.13 -1.55 2.02 -1.26 -4.56 117.35 112.02 1poz s TYR 79 Ca 0.08 -0.86 -0.04 0.00 -0.37 0.00 0.00 57.07 55.88 1poz s TYR 79 Cb 0.00 -4.17 -0.03 0.00 -0.40 0.00 0.00 41.96 37.36 1poz s TYR 79 CO 0.06 -1.47 0.03 0.20 -1.57 0.00 0.00 175.55 172.79 1poz s GLY 80 N 3.62 1.87 0.21 0.71 0.00 -0.39 0.37 107.32 113.71 1poz s GLY 80 Ca 0.19 -0.77 -0.32 0.00 0.00 0.00 0.00 44.72 43.81 1poz s GLY 80 CO 0.06 -0.28 1.67 0.69 0.00 0.00 0.00 173.10 175.23 1poz n PHE 81 N 2.78 2.65 -2.24 1.90 3.72 0.16 -1.55 117.46 124.87 1poz n PHE 81 Ca -0.18 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1poz n PHE 81 Cb 0.53 -2.63 0.00 0.00 -0.94 0.00 0.00 39.48 36.44 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 3.57 0.00 -0.56 4.37 0.13 0.85 -2.40 119.36 125.32 1poz n ILE 82 Ca 0.15 0.00 0.45 0.00 -1.10 0.00 0.00 62.75 62.25 1poz n ILE 82 Cb 0.34 -1.03 0.72 0.00 -0.84 0.00 0.00 39.64 38.83 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 -0.30 -0.02 -1.41 9.51 -0.00 0.93 -3.59 120.64 125.75 1poz n GLU 83 Ca 0.00 1.17 -0.01 0.00 -0.00 0.00 0.00 57.16 58.32 1poz n GLU 83 Cb 0.00 -2.44 0.01 0.00 -0.00 0.00 0.00 31.44 29.01 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 -1.66 -0.43 3.63 -1.84 0.00 -1.26 -4.84 105.19 98.78 1poz n GLY 84 Ca 0.41 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 0.02 -0.20 -0.09 1.61 3.76 -1.24 -5.12 115.29 114.03 1poz s HIS 85 Ca 0.01 0.43 -0.29 0.00 -0.15 0.00 0.00 55.06 55.06 1poz s HIS 85 Cb 0.06 0.45 -0.06 0.00 1.11 0.00 0.00 32.58 34.14 1poz s HIS 85 CO -0.02 -0.13 1.99 0.54 -0.85 0.00 0.00 174.74 176.28 1poz s VAL 86 N -0.36 3.14 0.26 -0.90 0.11 -1.26 -0.11 120.40 121.28 1poz s VAL 86 Ca 0.05 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 1poz s VAL 86 Cb -0.03 -3.14 -0.05 0.00 -1.53 0.00 0.00 36.38 31.63 1poz s VAL 86 CO -0.09 -0.05 0.06 0.68 -3.33 0.00 0.00 175.10 172.37 1poz s VAL 87 N 5.88 0.75 -0.05 2.04 -7.23 -0.60 -2.60 120.40 118.59 1poz s VAL 87 Ca 0.89 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 1poz s VAL 87 Cb -0.36 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.04 1poz s VAL 87 CO 0.37 -0.11 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.33 1poz s ILE 88 N -3.61 0.87 0.38 -0.62 1.01 0.77 -1.26 121.20 118.74 1poz s ILE 88 Ca 0.35 -0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.38 1poz s ILE 88 Cb 0.07 -0.82 -0.10 0.00 0.01 0.00 0.00 42.46 41.63 1poz s ILE 88 CO 0.12 0.29 1.38 -2.84 0.00 0.00 0.00 174.94 173.89 1poz s PRO 89 N 0.67 4.09 -0.37 2.79 0.02 -1.26 -2.49 135.00 138.44 1poz s PRO 89 Ca -0.12 2.34 0.05 0.00 0.02 0.00 0.00 61.00 63.29 1poz s PRO 89 Cb -0.14 -2.90 0.31 0.00 0.02 0.00 0.00 34.50 31.78 1poz s PRO 89 CO 0.02 -0.46 1.29 -2.13 -0.33 0.00 0.00 177.00 175.39 1poz n ARG 90 N 0.39 0.47 0.23 5.54 3.00 -1.26 -4.80 116.66 120.23 1poz n ARG 90 Ca 0.02 -1.14 0.16 0.00 -0.00 0.00 0.00 57.85 56.89 1poz n ARG 90 Cb 0.41 -0.41 0.82 0.00 0.00 0.00 0.00 32.46 33.28 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 1.29 0.00 -3.05 5.15 2.10 -1.93 -3.08 117.51 118.00 1poz h ILE 91 Ca -0.27 -0.05 -0.67 0.00 1.08 0.00 0.00 64.86 64.96 1poz h ILE 91 Cb 1.19 0.76 -0.11 0.00 -1.09 0.00 0.00 36.82 37.57 1poz h ILE 91 CO 0.02 0.00 -0.56 -1.00 -1.08 0.00 0.00 178.15 175.52 1poz s HIS 92 N -3.76 3.34 -1.76 2.19 3.76 -1.26 -4.99 115.29 112.81 1poz s HIS 92 Ca -0.03 0.30 0.17 0.00 -0.15 0.00 0.00 55.06 55.36 1poz s HIS 92 Cb 0.09 -1.82 0.97 0.00 1.11 0.00 0.00 32.58 32.94 1poz s HIS 92 CO 0.31 0.58 1.47 -0.35 -0.85 0.00 0.00 174.74 175.90 1poz n PRO 93 N 1.77 0.42 -2.36 8.40 -0.04 -1.26 -4.43 135.00 137.50 1poz n PRO 93 Ca -0.17 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 1poz n PRO 93 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.12 4.67 -4.67 3.54 5.15 -1.26 -4.95 115.26 116.61 1poz n ASN 94 Ca 0.11 -2.90 -0.45 0.00 -0.60 0.00 0.00 54.58 50.74 1poz n ASN 94 Cb 0.09 -1.73 -0.04 0.00 -0.53 0.00 0.00 39.78 37.58 1poz n ASN 94 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1poz n SER 95 N 7.81 3.78 0.00 1.20 3.41 -1.26 -4.58 113.62 123.98 1poz n SER 95 Ca 0.50 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 60.07 1poz n SER 95 Cb 0.44 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1poz n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1poz n ILE 96 N 5.07 0.00 0.00 -1.33 3.06 -1.26 -4.93 119.36 119.96 1poz n ILE 96 Ca 0.20 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.45 1poz n ILE 96 Cb 0.35 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.53 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1poz n ALA 98 N -1.20 0.00 -0.70 0.00 0.00 -1.26 -4.98 120.51 112.37 1poz n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1poz n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 99 N -0.78 0.14 0.11 0.00 0.00 -1.26 -5.09 120.51 113.63 1poz n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1poz n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1poz n ASN 100 N -1.46 0.11 -4.64 0.00 2.85 -1.26 -4.29 115.26 106.57 1poz n ASN 100 Ca 0.00 0.35 -0.42 0.00 -0.11 0.00 0.00 54.58 54.40 1poz n ASN 100 Cb 0.00 0.20 -0.00 0.00 1.24 0.00 0.00 39.78 41.22 1poz n ASN 100 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1poz n ASN 101 N -3.34 1.90 -4.53 1.20 4.13 -1.26 -4.64 115.26 108.72 1poz n ASN 101 Ca 0.00 1.13 -0.30 0.00 1.68 0.00 0.00 54.58 57.09 1poz n ASN 101 Cb 0.00 -1.40 -0.11 0.00 -1.54 0.00 0.00 39.78 36.73 1poz n ASN 101 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1poz s THR 102 N -1.16 3.17 0.16 3.41 -4.23 -1.26 -4.82 115.64 110.91 1poz s THR 102 Ca 0.59 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1poz s THR 102 Cb -0.59 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1poz s THR 102 CO 0.59 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.51 1poz n GLY 103 N 1.13 -3.86 3.98 3.99 0.00 -1.16 -4.70 105.19 104.56 1poz n GLY 103 Ca -0.15 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 1poz n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1poz n VAL 104 N -0.38 -0.78 -2.08 1.61 3.14 -1.24 -4.75 118.33 113.85 1poz n VAL 104 Ca 0.00 -0.39 -0.39 0.00 -2.96 0.00 0.00 64.34 60.60 1poz n VAL 104 Cb 0.00 -0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 31.96 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1poz s TYR 105 N -4.07 1.75 0.42 1.45 5.04 -1.04 -4.66 117.35 116.24 1poz s TYR 105 Ca 0.03 0.72 -0.23 0.00 -2.44 0.00 0.00 57.07 55.15 1poz s TYR 105 Cb -0.02 -4.14 -0.09 0.00 0.35 0.00 0.00 41.96 38.06 1poz s TYR 105 CO 0.82 -2.34 1.01 0.42 -1.34 0.00 0.00 175.55 174.11 1poz s ILE 106 N 8.49 3.94 0.88 3.14 -1.09 -1.25 -0.16 121.20 135.15 1poz s ILE 106 Ca 0.66 1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 60.33 1poz s ILE 106 Cb -0.13 -3.63 0.12 0.00 -1.58 0.00 0.00 42.46 37.23 1poz s ILE 106 CO 0.22 -0.12 1.10 -0.22 -1.23 0.00 0.00 174.94 174.70 1poz s LEU 107 N -2.93 2.59 -0.43 2.97 0.20 -1.07 -4.96 118.68 115.05 1poz s LEU 107 Ca 0.61 1.83 0.08 0.00 0.69 0.00 0.00 54.13 57.33 1poz s LEU 107 Cb -0.17 -4.29 0.35 0.00 -0.43 0.00 0.00 46.19 41.65 1poz s LEU 107 CO 0.22 -2.71 1.23 0.35 -0.29 0.00 0.00 176.35 175.16 1poz n THR 108 N -3.96 0.00 -2.46 3.68 -2.24 -1.26 -5.08 114.28 102.96 1poz n THR 108 Ca 0.09 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1poz n THR 108 Cb 0.53 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 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 -0.10 0.00 -4.59 3.42 7.64 -1.26 -5.14 113.62 113.59 1poz n SER 109 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 1poz n SER 109 Cb 0.77 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.05 1poz n SER 109 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1poz n ASN 110 N 0.00 0.26 -4.74 6.43 5.15 -1.26 -4.94 115.26 116.16 1poz n ASN 110 Ca 0.00 0.69 -0.41 0.00 -0.60 0.00 0.00 54.58 54.26 1poz n ASN 110 Cb 0.00 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 37.83 1poz n ASN 110 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1poz s THR 111 N -1.76 4.31 0.00 -0.44 2.01 -1.26 -4.87 115.64 113.63 1poz s THR 111 Ca 0.73 2.07 0.00 0.00 0.31 0.00 0.00 61.69 64.80 1poz s THR 111 Cb -0.36 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 67.83 1poz s THR 111 CO 0.51 0.40 0.00 -1.54 -0.69 0.00 0.00 174.62 173.30 1poz n SER 112 N 2.18 0.00 -0.93 3.53 3.41 -1.26 -5.19 113.62 115.37 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 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.18 4.33 1.13 -0.44 -4.95 117.38 117.27 1poz n GLN 113 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1poz n GLN 113 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1poz n GLN 113 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1poz n TYR 114 N 0.00 -0.13 -1.73 1.08 0.18 -1.15 -4.17 117.16 111.25 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 -0.13 0.00 -3.58 9.48 8.00 0.16 -2.44 116.55 128.05 1poz n ASP 115 Ca 0.00 -0.40 -0.16 0.00 0.71 0.00 0.00 54.79 54.93 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 0.93 0.00 0.35 -3.53 -1.32 -0.75 0.37 115.64 111.70 1poz s THR 116 Ca 0.00 -0.04 0.08 0.00 -1.21 0.00 0.00 61.69 60.52 1poz s THR 116 Cb 0.00 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 70.00 1poz s THR 116 CO 0.00 -0.02 0.11 -0.31 -2.21 0.00 0.00 174.62 172.19 1poz s TYR 117 N -0.71 2.64 -0.30 9.09 1.51 -1.01 0.38 117.35 128.96 1poz s TYR 117 Ca -0.08 -0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 55.39 1poz s TYR 117 Cb -0.02 -1.66 0.17 0.00 -0.11 0.00 0.00 41.96 40.34 1poz s TYR 117 CO 0.07 0.35 1.02 0.00 -1.11 0.00 0.00 175.55 175.87 1poz s PHE 119 N 2.20 2.92 -0.07 0.00 2.19 -1.08 -2.41 117.98 121.72 1poz s PHE 119 Ca -0.03 0.36 -0.17 0.00 0.33 0.00 0.00 56.93 57.42 1poz s PHE 119 Cb -0.05 -3.98 -0.05 0.00 -1.31 0.00 0.00 43.02 37.63 1poz s PHE 119 CO -0.17 -1.11 0.46 0.54 1.83 0.00 0.00 175.22 176.77 1poz s ASN 120 N 2.29 6.74 0.15 6.13 4.22 -0.79 -1.70 114.94 131.98 1poz s ASN 120 Ca 0.37 0.88 0.16 0.00 -2.14 0.00 0.00 52.86 52.13 1poz s ASN 120 Cb -0.10 -2.28 0.71 0.00 1.28 0.00 0.00 41.25 40.86 1poz s ASN 120 CO 0.26 0.11 1.48 0.00 -2.04 0.00 0.00 177.10 176.91 1poz n ALA 121 N 3.03 1.38 -0.69 3.54 0.00 -0.32 -3.65 120.51 123.80 1poz n ALA 121 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1poz n ALA 121 Cb 0.52 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1poz n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1poz n SER 122 N -1.88 0.00 -4.73 0.00 2.88 -1.25 -4.39 113.62 104.24 1poz n SER 122 Ca 0.01 0.66 -0.39 0.00 -1.33 0.00 0.00 58.87 57.82 1poz n SER 122 Cb 0.12 -0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 63.37 1poz n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1poz s ALA 123 N -3.02 3.45 1.16 -1.46 0.00 -1.24 -5.08 121.76 115.57 1poz s ALA 123 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1poz s ALA 123 Cb 0.00 -2.74 0.17 0.00 0.00 0.00 0.00 23.12 20.56 1poz s ALA 123 CO 0.00 0.02 0.56 -0.35 0.00 0.00 0.00 175.76 176.00 1poz n PRO 124 N 3.46 -2.47 -1.21 0.00 -0.04 -1.26 -3.84 135.00 129.63 1poz n PRO 124 Ca -0.06 -0.91 -0.22 0.00 -0.04 0.00 0.00 63.50 62.27 1poz n PRO 124 Cb 0.51 -0.91 -0.11 0.00 -0.04 0.00 0.00 33.50 32.95 1poz n PRO 124 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1poz n PRO 125 N -3.47 0.06 -3.56 0.54 -0.02 -1.22 -1.67 135.00 125.66 1poz n PRO 125 Ca 0.08 -1.38 -0.15 0.00 -2.02 0.00 0.00 63.50 60.03 1poz n PRO 125 Cb 0.32 -3.32 -0.06 0.00 -0.02 0.00 0.00 33.50 30.42 1poz n PRO 125 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1poz s GLU 126 N 7.81 0.90 -0.12 -0.52 -1.05 -1.17 -4.79 118.70 119.76 1poz s GLU 126 Ca 0.72 0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 55.63 1poz s GLU 126 Cb 0.01 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 1poz s GLU 126 CO 0.23 -0.25 1.29 -1.21 0.95 0.00 0.00 175.26 176.26 1poz s GLU 127 N -0.84 4.26 -0.08 -4.83 2.02 -1.26 0.10 118.70 118.07 1poz s GLU 127 Ca -0.07 1.73 -0.03 0.00 0.02 0.00 0.00 54.97 56.62 1poz s GLU 127 Cb -0.01 -3.71 0.05 0.00 0.10 0.00 0.00 34.13 30.55 1poz s GLU 127 CO 0.06 -0.64 0.17 0.34 0.02 0.00 0.00 175.26 175.21 1poz s ASP 128 N 1.95 0.29 -0.03 -0.19 -1.08 0.13 -4.79 116.67 112.95 1poz s ASP 128 Ca 0.57 0.37 0.11 0.00 -0.52 0.00 0.00 52.55 53.08 1poz s ASP 128 Cb -0.24 0.30 0.33 0.00 -1.46 0.00 0.00 42.92 41.85 1poz s ASP 128 CO 0.19 -0.20 1.27 0.00 0.52 0.00 0.00 175.17 176.95 1poz n THR 130 N 0.26 1.72 -1.54 0.00 -1.04 -1.26 -4.62 114.28 107.80 1poz n THR 130 Ca 0.13 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.05 61.56 1poz n THR 130 Cb 0.51 -0.34 -0.11 0.00 -1.82 0.00 0.00 70.33 68.57 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 1.76 0.96 0.00 8.00 3.41 -1.26 -4.84 113.62 121.66 1poz n SER 131 Ca 0.16 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1poz n SER 131 Cb 0.25 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 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 7.99 0.00 -0.37 -3.33 0.31 -1.26 -4.58 118.33 117.09 1poz n VAL 132 Ca 0.51 0.59 0.00 0.00 -0.01 0.00 0.00 64.34 65.42 1poz n VAL 132 Cb 0.37 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.15 0.00 0.00 2.52 5.66 -1.26 -4.70 114.28 116.35 1poz n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1poz n THR 133 Cb 0.00 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1poz n THR 133 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1poz n ASP 134 N 1.16 0.00 -3.72 1.09 2.03 -1.26 -4.76 116.55 111.09 1poz n ASP 134 Ca 0.00 0.02 -0.28 0.00 0.52 0.00 0.00 54.79 55.05 1poz n ASP 134 Cb 0.17 -0.03 0.02 0.00 -0.72 0.00 0.00 41.12 40.56 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1poz n LEU 135 N -0.99 -2.39 0.00 -2.67 4.77 -1.26 -4.78 117.00 109.68 1poz n LEU 135 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1poz n LEU 135 Cb 0.00 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 38.56 1poz n LEU 135 CO 0.00 0.39 0.17 -2.65 -1.33 0.00 0.00 177.39 173.97 1poz n PRO 136 N -4.46 0.00 -0.51 3.23 -0.02 -1.18 -1.59 135.00 130.47 1poz n PRO 136 Ca 0.02 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.57 1poz n PRO 136 Cb 0.54 -1.38 0.28 0.00 -0.02 0.00 0.00 33.50 32.91 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1poz n ASN 137 N -0.82 3.88 0.00 2.55 5.03 0.19 -4.89 115.26 121.21 1poz n ASN 137 Ca 0.00 -2.41 0.00 0.00 0.87 0.00 0.00 54.58 53.04 1poz n ASN 137 Cb 0.00 -0.53 0.00 0.00 -1.02 0.00 0.00 39.78 38.23 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1poz n ALA 138 N 0.72 0.00 -2.26 5.41 0.00 -0.62 -4.65 120.51 119.12 1poz n ALA 138 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1poz n ALA 138 Cb 0.76 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.11 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 2.09 1.15 0.78 0.00 -0.71 -0.60 -4.99 117.98 115.69 1poz s PHE 139 Ca 0.00 -0.79 -0.14 0.00 -1.04 0.00 0.00 56.93 54.96 1poz s PHE 139 Cb 0.00 -0.61 0.07 0.00 -1.21 0.00 0.00 43.02 41.27 1poz s PHE 139 CO 0.00 0.02 1.21 -3.47 -1.34 0.00 0.00 175.22 171.64 1poz n ASP 140 N -0.08 1.18 0.00 1.98 -0.08 -1.26 0.63 116.55 118.92 1poz n ASP 140 Ca -0.11 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 53.79 1poz n ASP 140 Cb 0.60 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.55 1poz n ASP 140 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1poz n GLY 141 N 0.63 3.54 0.18 0.27 0.00 -1.14 -4.21 105.19 104.46 1poz n GLY 141 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.02 0.58 -2.08 1.61 -0.02 -1.22 -1.16 135.00 131.69 1poz n PRO 142 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1poz n PRO 142 Cb 0.00 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.64 3.71 -1.05 4.25 1.01 -0.05 -3.64 121.20 123.79 1poz s ILE 143 Ca 0.00 0.86 -0.23 0.00 0.00 0.00 0.00 60.65 61.28 1poz s ILE 143 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1poz s ILE 143 CO 0.00 -0.08 1.85 -0.89 0.00 0.00 0.00 174.94 175.83 1poz s THR 144 N 3.93 3.61 -1.09 2.92 2.01 -0.92 -0.46 115.64 125.64 1poz s THR 144 Ca 0.70 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 1poz s THR 144 Cb -0.31 -4.46 0.07 0.00 0.01 0.00 0.00 72.50 67.81 1poz s THR 144 CO 0.27 -1.21 1.47 -0.63 -0.69 0.00 0.00 174.62 173.83 1poz s ILE 145 N 9.06 4.16 -0.42 1.82 1.01 0.21 -1.49 121.20 135.55 1poz s ILE 145 Ca 0.64 -1.28 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 1poz s ILE 145 Cb -0.03 -5.05 0.04 0.00 0.01 0.00 0.00 42.46 37.44 1poz s ILE 145 CO 0.03 -1.88 0.30 -0.89 0.00 0.00 0.00 174.94 172.51 1poz s THR 146 N 4.25 5.04 -0.44 2.92 2.01 -1.18 -0.14 115.64 128.10 1poz s THR 146 Ca 0.46 -0.86 -0.24 0.00 0.31 0.00 0.00 61.69 61.35 1poz s THR 146 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1poz s THR 146 CO -0.05 -0.38 0.83 0.27 -0.69 0.00 0.00 174.62 174.60 1poz s ILE 147 N 1.63 4.61 -0.32 1.82 -0.00 0.19 -0.05 121.20 129.07 1poz s ILE 147 Ca 0.04 0.63 -0.21 0.00 -0.00 0.00 0.00 60.65 61.11 1poz s ILE 147 Cb -0.21 -4.34 -0.00 0.00 -0.00 0.00 0.00 42.46 37.91 1poz s ILE 147 CO 0.08 -0.70 0.68 -0.69 -0.00 0.00 0.00 174.94 174.32 1poz s VAL 148 N 3.40 4.87 -0.97 8.37 1.01 -0.96 -0.88 120.40 135.24 1poz s VAL 148 Ca 0.33 0.87 -0.24 0.00 0.00 0.00 0.00 61.98 62.94 1poz s VAL 148 Cb -0.12 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1poz s VAL 148 CO 0.23 -0.24 1.42 0.20 0.00 0.00 0.00 175.10 176.71 1poz s ASN 149 N 1.69 6.43 0.00 3.32 0.02 0.36 0.35 114.94 127.11 1poz s ASN 149 Ca 0.27 -1.26 0.00 0.00 -1.02 0.00 0.00 52.86 50.85 1poz s ASN 149 Cb -0.14 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.56 1poz s ASN 149 CO 0.13 -1.58 0.00 -1.14 0.02 0.00 0.00 177.10 174.54 1poz n ARG 150 N 8.98 0.00 -0.33 -0.60 0.00 0.48 0.44 116.66 125.63 1poz n ARG 150 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 1poz n ARG 150 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 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 0.00 0.00 -0.06 6.15 2.03 -1.26 -4.93 116.55 118.48 1poz n ASP 151 Ca 0.00 -1.10 -0.03 0.00 0.52 0.00 0.00 54.79 54.18 1poz n ASP 151 Cb 0.00 -0.02 -0.13 0.00 -0.72 0.00 0.00 41.12 40.25 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1poz n GLY 152 N 0.00 -0.79 3.86 0.27 0.00 0.17 -5.08 105.19 103.62 1poz n GLY 152 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 1poz n GLY 152 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1poz s THR 153 N -2.61 0.00 -0.29 2.61 -1.32 -1.09 -5.02 115.64 107.91 1poz s THR 153 Ca -0.07 -0.57 -0.07 0.00 -1.21 0.00 0.00 61.69 59.77 1poz s THR 153 Cb 0.06 -2.74 0.15 0.00 -1.51 0.00 0.00 72.50 68.46 1poz s THR 153 CO 0.68 0.00 0.62 0.00 -2.21 0.00 0.00 174.62 173.70 1poz s ARG 154 N -2.32 0.56 0.12 7.08 1.70 -1.26 0.14 118.95 124.97 1poz s ARG 154 Ca 0.21 1.27 0.08 0.00 -0.47 0.00 0.00 55.73 56.81 1poz s ARG 154 Cb -0.02 0.72 -0.04 0.00 -0.57 0.00 0.00 34.95 35.03 1poz s ARG 154 CO 0.04 -0.36 -0.12 1.52 -1.08 0.00 0.00 175.30 175.30 1poz s TYR 155 N 2.87 2.66 0.10 5.89 1.13 -0.06 -4.96 117.35 124.97 1poz s TYR 155 Ca 0.04 -0.20 0.08 0.00 -1.41 0.00 0.00 57.07 55.58 1poz s TYR 155 Cb -0.13 -1.38 -0.04 0.00 -1.10 0.00 0.00 41.96 39.31 1poz s TYR 155 CO -0.19 0.43 -0.17 0.54 -2.51 0.00 0.00 175.55 173.65 1poz s VAL 156 N -1.29 2.93 0.27 -3.49 0.11 -1.26 0.52 120.40 118.19 1poz s VAL 156 Ca 0.21 -1.41 -0.12 0.00 -2.93 0.00 0.00 61.98 57.73 1poz s VAL 156 Cb -0.10 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1poz s VAL 156 CO 0.13 0.14 0.51 -1.58 -3.33 0.00 0.00 175.10 170.97 1poz s GLN 157 N -2.04 1.65 -0.17 1.54 0.74 0.80 -4.91 119.66 117.28 1poz s GLN 157 Ca 0.18 -1.31 -0.02 0.00 0.05 0.00 0.00 55.36 54.26 1poz s GLN 157 Cb -0.11 0.49 0.05 0.00 1.10 0.00 0.00 33.01 34.54 1poz s GLN 157 CO 0.10 -0.70 0.00 0.15 -0.55 0.00 0.00 175.29 174.29 1poz s LYS 158 N -3.77 0.89 0.00 1.67 1.02 -1.26 0.65 119.74 118.93 1poz s LYS 158 Ca 0.22 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1poz s LYS 158 Cb -0.01 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1poz s LYS 158 CO 0.11 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 1poz n GLY 159 N 5.01 3.48 3.64 -3.33 0.00 0.39 -4.62 105.19 109.76 1poz n GLY 159 Ca -0.09 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 4.46 0.59 0.00 1.61 2.02 0.20 -0.87 118.70 126.72 1poz s GLU 160 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 54.97 55.74 1poz s GLU 160 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1poz s GLU 160 CO 0.00 -0.08 0.00 2.48 0.02 0.00 0.00 175.26 177.68 1poz n TYR 161 N 2.66 0.00 0.02 1.61 4.11 -1.26 -1.56 117.16 122.74 1poz n TYR 161 Ca -0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.74 1poz n TYR 161 Cb 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.81 1poz n TYR 161 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 1poz h ARG 162 N 0.00 0.00 -6.55 -3.48 2.43 -1.94 -3.47 114.38 101.37 1poz h ARG 162 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1poz h ARG 162 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1poz h ARG 162 CO 0.00 0.34 -0.91 0.25 -1.51 0.00 0.00 179.97 178.14 1poz n THR 163 N -2.94 -3.19 -3.48 0.20 -2.24 -1.26 -4.92 114.28 96.45 1poz n THR 163 Ca -0.11 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 60.84 1poz n THR 163 Cb 0.88 -2.68 -0.09 0.00 -2.10 0.00 0.00 70.33 66.34 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1poz n ASN 164 N -2.90 3.23 0.20 3.42 2.85 -1.26 -4.88 115.26 115.91 1poz n ASN 164 Ca -0.28 -3.32 0.08 0.00 -0.11 0.00 0.00 54.58 50.95 1poz n ASN 164 Cb 0.67 -0.68 0.30 0.00 1.24 0.00 0.00 39.78 41.31 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1poz h PRO 165 N 4.38 0.00 0.00 1.20 0.13 -1.96 -3.06 132.00 132.69 1poz h PRO 165 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1poz h PRO 165 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1poz h PRO 165 CO 0.77 0.30 -0.05 1.49 -0.23 0.00 0.00 178.00 180.29 1poz h GLU 166 N 0.00 0.00 0.00 0.86 4.81 -1.90 -1.59 114.58 116.76 1poz h GLU 166 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1poz h GLU 166 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1poz h GLU 166 CO 0.04 0.05 0.00 -3.47 -0.73 0.00 0.00 179.01 174.90 1poz n ASP 167 N -3.25 0.55 0.00 1.04 2.03 -1.16 -3.46 116.55 112.30 1poz n ASP 167 Ca -0.01 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.90 1poz n ASP 167 Cb 0.24 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1poz n ILE 168 N -2.07 0.00 -3.67 5.18 2.08 -0.62 -4.89 119.36 115.37 1poz n ILE 168 Ca 0.04 0.25 -0.36 0.00 0.56 0.00 0.00 62.75 63.24 1poz n ILE 168 Cb 0.29 -1.22 -0.07 0.00 -0.75 0.00 0.00 39.64 37.88 1poz n ILE 168 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 1poz s TYR 169 N -0.58 3.77 0.53 1.39 -0.85 -1.07 -5.08 117.35 115.47 1poz s TYR 169 Ca 0.00 -2.98 -0.20 0.00 -0.52 0.00 0.00 57.07 53.37 1poz s TYR 169 Cb 0.00 -3.20 -0.09 0.00 0.38 0.00 0.00 41.96 39.05 1poz s TYR 169 CO 0.00 -0.75 0.71 -2.30 -1.52 0.00 0.00 175.55 171.69 1poz n PRO 170 N 2.55 0.75 0.00 -3.49 -0.02 -1.22 -4.75 135.00 128.82 1poz n PRO 170 Ca 0.18 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1poz n PRO 170 Cb 0.37 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1poz n PRO 170 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1poz n SER 171 N 0.34 0.00 -4.28 2.55 7.64 -1.26 -4.93 113.62 113.68 1poz n SER 171 Ca 0.12 0.03 -0.38 0.00 1.01 0.00 0.00 58.87 59.65 1poz n SER 171 Cb 0.45 -0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 1poz n SER 171 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1poz s ASN 172 N -1.65 5.36 0.29 6.43 4.22 -1.26 -5.08 114.94 123.25 1poz s ASN 172 Ca 0.00 -1.13 -0.29 0.00 -2.14 0.00 0.00 52.86 49.30 1poz s ASN 172 Cb 0.00 -1.89 -0.10 0.00 1.28 0.00 0.00 41.25 40.54 1poz s ASN 172 CO 0.00 -0.34 1.38 -2.16 -2.04 0.00 0.00 177.10 173.94 1poz s PRO 173 N 1.42 4.30 0.36 3.55 0.04 -1.26 -5.00 135.00 138.41 1poz s PRO 173 Ca -0.01 2.27 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 1poz s PRO 173 Cb -0.19 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 1poz s PRO 173 CO 0.03 -0.32 0.93 0.95 0.04 0.00 0.00 177.00 178.64 1poz s THR 174 N -0.58 4.30 -0.31 1.26 -4.23 -1.26 -5.05 115.64 109.78 1poz s THR 174 Ca 0.54 1.66 0.01 0.00 -1.18 0.00 0.00 61.69 62.72 1poz s THR 174 Cb -0.41 -3.85 0.19 0.00 1.34 0.00 0.00 72.50 69.78 1poz s THR 174 CO 0.49 -0.03 0.73 -0.62 -0.54 0.00 0.00 174.62 174.65 1poz s ASP 175 N -1.83 -1.25 0.02 3.99 2.15 -1.26 -5.06 116.67 113.41 1poz s ASP 175 Ca 0.54 0.02 -0.04 0.00 0.43 0.00 0.00 52.55 53.51 1poz s ASP 175 Cb -0.15 1.76 -0.01 0.00 -0.30 0.00 0.00 42.92 44.22 1poz s ASP 175 CO 0.20 -0.22 -0.07 0.47 -0.17 0.00 0.00 175.17 175.38 1poz n ASP 176 N 5.14 0.98 -4.70 -0.34 9.92 -1.26 -5.01 116.55 121.28 1poz n ASP 176 Ca 0.07 0.14 -0.43 0.00 -0.53 0.00 0.00 54.79 54.04 1poz n ASP 176 Cb 0.56 -0.37 -0.03 0.00 -0.64 0.00 0.00 41.12 40.64 1poz n ASP 176 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1poz n ASP 177 N -3.42 3.75 -0.38 -2.24 -0.08 -1.26 -5.38 116.55 107.54 1poz n ASP 177 Ca -0.03 1.06 0.14 0.00 -1.51 0.00 0.00 54.79 54.45 1poz n ASP 177 Cb 0.11 -1.53 0.62 0.00 2.34 0.00 0.00 41.12 42.65 1poz n ASP 177 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65