#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 0.66 0.07 0.00 -2.07 -1.26 -1.45 119.66 115.61 1poz s GLN 21 Ca 0.00 1.31 0.08 0.00 -1.82 0.00 0.00 55.36 54.93 1poz s GLN 21 Cb 0.00 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 1poz s GLN 21 CO 0.00 -0.17 -0.23 0.42 -1.32 0.00 0.00 175.29 174.00 1poz s ILE 22 N 2.09 1.85 -0.31 3.63 1.01 -0.79 -4.90 121.20 123.78 1poz s ILE 22 Ca -0.09 -1.39 -0.11 0.00 0.00 0.00 0.00 60.65 59.06 1poz s ILE 22 Cb -0.07 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1poz s ILE 22 CO -0.20 0.16 0.19 -1.81 0.00 0.00 0.00 174.94 173.29 1poz s ASP 23 N -1.47 5.88 0.20 3.58 1.11 -1.26 -2.95 116.67 121.76 1poz s ASP 23 Ca 0.09 -0.28 0.08 0.00 0.18 0.00 0.00 52.55 52.63 1poz s ASP 23 Cb -0.09 -2.09 -0.04 0.00 1.07 0.00 0.00 42.92 41.76 1poz s ASP 23 CO 0.03 -0.15 -0.02 -0.76 1.18 0.00 0.00 175.17 175.45 1poz s LEU 24 N 1.71 3.20 -0.34 1.23 2.01 0.20 -2.13 118.68 124.56 1poz s LEU 24 Ca 0.06 -0.50 0.04 0.00 0.01 0.00 0.00 54.13 53.74 1poz s LEU 24 Cb -0.17 -1.83 0.17 0.00 0.01 0.00 0.00 46.19 44.38 1poz s LEU 24 CO 0.09 0.07 0.48 0.21 1.01 0.00 0.00 176.35 178.21 1poz s ASN 25 N -3.11 -0.19 0.36 2.29 2.47 -0.91 0.32 114.94 116.18 1poz s ASN 25 Ca 0.28 -0.67 0.00 0.00 0.42 0.00 0.00 52.86 52.89 1poz s ASN 25 Cb -0.08 1.32 0.00 0.00 -1.45 0.00 0.00 41.25 41.04 1poz s ASN 25 CO 0.18 -0.28 0.00 2.30 -3.72 0.00 0.00 177.10 175.58 1poz n ILE 26 N 4.89 0.00 -0.03 -5.21 -5.35 0.57 -0.83 119.36 113.39 1poz n ILE 26 Ca 0.06 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.51 1poz n ILE 26 Cb 0.51 -1.38 -0.05 0.00 -1.74 0.00 0.00 39.64 36.98 1poz n ILE 26 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1poz n THR 27 N -1.31 0.45 0.00 7.28 -1.04 0.28 0.26 114.28 120.20 1poz n THR 27 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1poz n THR 27 Cb 0.00 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz n ARG 29 N -1.33 3.20 -2.71 0.00 3.00 -0.47 -2.11 116.66 116.23 1poz n ARG 29 Ca 0.00 -4.47 -0.42 0.00 -0.01 0.00 0.00 57.85 52.95 1poz n ARG 29 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 32.46 29.94 1poz n ARG 29 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1poz s PHE 30 N -1.37 3.69 0.00 -1.55 0.40 0.17 -0.31 117.98 119.01 1poz s PHE 30 Ca 0.30 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 58.35 1poz s PHE 30 Cb -0.08 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1poz s PHE 30 CO -0.10 0.03 0.00 0.00 0.70 0.00 0.00 175.22 175.85 1poz n ALA 31 N 3.66 0.00 0.00 5.36 0.00 0.26 -0.57 120.51 129.22 1poz n ALA 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1poz n ALA 31 Cb 0.51 -1.22 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 -0.59 1.28 3.17 0.00 0.00 -0.54 -2.38 105.19 106.14 1poz n GLY 32 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1poz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1poz s VAL 33 N -2.00 2.65 -0.30 1.61 1.01 0.26 0.24 120.40 123.88 1poz s VAL 33 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1poz s VAL 33 Cb 0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1poz s VAL 33 CO 0.00 0.24 0.14 0.12 0.00 0.00 0.00 175.10 175.60 1poz s PHE 34 N 1.30 3.17 -0.32 5.22 2.19 0.35 -0.65 117.98 129.23 1poz s PHE 34 Ca 0.00 -0.52 -0.25 0.00 0.33 0.00 0.00 56.93 56.50 1poz s PHE 34 Cb -0.16 -2.34 0.01 0.00 -1.31 0.00 0.00 43.02 39.22 1poz s PHE 34 CO -0.06 -0.43 0.85 -1.58 1.83 0.00 0.00 175.22 175.84 1poz s HIS 35 N 1.62 3.18 -0.14 10.12 5.65 -0.90 -2.92 115.29 131.89 1poz s HIS 35 Ca 0.05 0.86 -0.18 0.00 0.25 0.00 0.00 55.06 56.03 1poz s HIS 35 Cb -0.17 -3.36 -0.04 0.00 -1.18 0.00 0.00 32.58 27.84 1poz s HIS 35 CO 0.06 -0.64 0.49 0.54 -0.65 0.00 0.00 174.74 174.55 1poz s VAL 36 N 3.14 5.16 0.00 0.89 0.11 -0.55 0.10 120.40 129.25 1poz s VAL 36 Ca 0.35 0.97 0.00 0.00 -2.93 0.00 0.00 61.98 60.37 1poz s VAL 36 Cb -0.13 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1poz s VAL 36 CO 0.14 0.28 0.00 -0.62 -3.33 0.00 0.00 175.10 171.57 1poz n GLU 37 N 3.99 0.35 0.00 1.54 1.02 -0.01 -2.58 120.64 124.95 1poz n GLU 37 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1poz n GLU 37 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1poz n GLU 37 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1poz n LYS 38 N 0.00 0.00 0.00 3.49 3.00 -1.17 -2.14 118.16 121.33 1poz n LYS 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1poz n LYS 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1poz n LYS 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1poz n ASN 39 N 8.51 0.00 -0.08 3.14 5.15 -0.91 0.97 115.26 132.04 1poz n ASN 39 Ca 0.00 0.39 0.10 0.00 -0.60 0.00 0.00 54.58 54.47 1poz n ASN 39 Cb 0.00 -0.39 0.14 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 -1.39 4.87 3.06 8.20 0.00 -1.16 -4.67 105.19 114.11 1poz n GLY 40 Ca 0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 1poz n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1poz s ARG 41 N -2.88 0.57 0.00 1.61 1.70 0.27 -3.86 118.95 116.36 1poz s ARG 41 Ca 0.32 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 1poz s ARG 41 Cb 0.28 -0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.25 1poz s ARG 41 CO 0.03 0.09 0.00 0.66 -1.08 0.00 0.00 175.30 175.00 1poz n TYR 42 N 1.74 0.00 -2.58 5.89 4.02 -0.91 -4.37 117.16 120.93 1poz n TYR 42 Ca -0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.67 1poz n TYR 42 Cb 0.55 -0.85 0.07 0.00 -0.02 0.00 0.00 39.34 39.09 1poz n TYR 42 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1poz n SER 43 N 0.00 -0.38 -4.41 7.72 3.41 -1.06 -4.35 113.62 114.56 1poz n SER 43 Ca 0.00 -2.11 -0.28 0.00 -0.26 0.00 0.00 58.87 56.21 1poz n SER 43 Cb 0.00 0.23 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 1poz n SER 43 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1poz s ILE 44 N -0.92 2.32 0.00 -1.33 2.07 -0.91 -4.80 121.20 117.62 1poz s ILE 44 Ca 0.14 -1.81 0.00 0.00 -1.41 0.00 0.00 60.65 57.57 1poz s ILE 44 Cb 0.33 -2.05 0.00 0.00 0.13 0.00 0.00 42.46 40.87 1poz s ILE 44 CO -0.09 0.04 0.00 -1.54 -1.91 0.00 0.00 174.94 171.44 1poz n SER 45 N 0.74 1.76 -0.21 4.50 3.41 -1.26 -2.42 113.62 120.13 1poz n SER 45 Ca -0.16 -0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 57.83 1poz n SER 45 Cb 0.54 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.05 0.79 4.33 2.43 -1.99 -2.66 114.38 118.32 1poz h ARG 46 Ca 0.00 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 58.81 1poz h ARG 46 Cb 0.00 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1poz h ARG 46 CO 0.00 1.02 -0.40 1.79 -1.51 0.00 0.00 179.97 180.87 1poz h THR 47 N 0.95 0.00 0.00 0.20 1.35 -1.99 -2.52 112.91 110.90 1poz h THR 47 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1poz h THR 47 Cb 0.53 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1poz h THR 47 CO 0.03 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.68 1poz n GLU 48 N -4.99 0.00 -0.09 4.72 1.02 -1.24 -1.53 120.64 118.53 1poz n GLU 48 Ca -0.13 0.40 -0.02 0.00 -0.02 0.00 0.00 57.16 57.38 1poz n GLU 48 Cb 0.43 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1poz n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1poz n ALA 49 N -1.49 -0.14 -0.33 0.62 0.00 -1.00 0.23 120.51 118.40 1poz n ALA 49 Ca 0.00 0.19 0.16 0.00 0.00 0.00 0.00 53.44 53.78 1poz n ALA 49 Cb 0.00 0.11 0.35 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.17 1.63 0.51 0.00 0.00 -1.45 0.48 119.26 120.25 1poz h ALA 50 Ca 0.04 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1poz h ALA 50 Cb 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1poz h ALA 50 CO -0.21 -0.31 -0.35 -0.44 0.00 0.00 0.00 179.25 177.95 1poz h ASP 51 N 0.50 -0.89 0.23 0.00 3.32 0.41 -1.77 116.42 118.21 1poz h ASP 51 Ca 0.61 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.70 1poz h ASP 51 Cb 1.16 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1poz h ASP 51 CO -0.50 -0.53 -0.11 0.25 -1.72 0.00 0.00 179.24 176.63 1poz h LEU 52 N -0.83 -0.27 -1.19 1.55 6.46 -0.48 0.84 115.31 121.40 1poz h LEU 52 Ca -0.06 0.01 0.40 0.00 -0.12 0.00 0.00 57.88 58.12 1poz h LEU 52 Cb 0.69 0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.58 1poz h LEU 52 CO 0.03 0.03 0.78 0.00 -0.62 0.00 0.00 178.44 178.66 1poz n LYS 54 N -4.28 0.69 -0.38 0.00 2.85 -0.67 -3.98 118.16 112.40 1poz n LYS 54 Ca 0.34 0.28 0.32 0.00 -1.05 0.00 0.00 58.31 58.20 1poz n LYS 54 Cb 1.34 -1.76 0.54 0.00 -0.65 0.00 0.00 35.03 34.50 1poz n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1poz n ALA 55 N -2.76 1.09 -2.49 0.58 0.00 1.27 0.82 120.51 119.02 1poz n ALA 55 Ca -0.24 0.68 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 1poz n ALA 55 Cb 1.05 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.67 1poz n ALA 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1poz n PHE 56 N -4.25 3.23 -3.22 0.00 -1.74 -1.07 0.21 117.46 110.61 1poz n PHE 56 Ca 0.32 -2.91 -0.17 0.00 -0.56 0.00 0.00 57.45 54.13 1poz n PHE 56 Cb 1.25 -0.84 0.02 0.00 1.52 0.00 0.00 39.48 41.42 1poz n PHE 56 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1poz n ASN 57 N -0.30 -5.84 -3.22 5.98 2.85 0.24 -4.58 115.26 110.39 1poz n ASN 57 Ca 0.44 0.15 -0.11 0.00 -0.11 0.00 0.00 54.58 54.95 1poz n ASN 57 Cb 0.35 -1.51 -0.01 0.00 1.24 0.00 0.00 39.78 39.84 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1poz s SER 58 N -1.14 0.36 0.11 1.20 0.01 -1.23 -2.13 113.70 110.88 1poz s SER 58 Ca 0.16 -1.23 0.02 0.00 1.31 0.00 0.00 55.95 56.21 1poz s SER 58 Cb -0.02 0.74 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 1poz s SER 58 CO 0.36 -1.45 -0.07 0.42 0.41 0.00 0.00 173.24 172.91 1poz s THR 59 N -2.89 0.82 0.33 1.44 -4.23 -0.96 -4.62 115.64 105.53 1poz s THR 59 Ca 0.22 -1.97 -0.24 0.00 -1.18 0.00 0.00 61.69 58.52 1poz s THR 59 Cb -0.03 -1.73 -0.16 0.00 1.34 0.00 0.00 72.50 71.93 1poz s THR 59 CO 0.15 -0.84 0.37 0.18 -0.54 0.00 0.00 174.62 173.94 1poz n LEU 60 N -0.09 -1.55 -4.65 4.79 4.77 -1.26 -2.82 117.00 116.20 1poz n LEU 60 Ca -0.12 0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 56.40 1poz n LEU 60 Cb 0.61 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1poz n LEU 60 CO 0.31 -3.39 1.53 -2.16 -1.33 0.00 0.00 177.39 172.34 1poz s PRO 61 N -1.13 3.95 0.16 3.23 0.04 -1.24 -4.64 135.00 135.37 1poz s PRO 61 Ca 0.62 2.24 0.04 0.00 0.04 0.00 0.00 61.00 63.94 1poz s PRO 61 Cb -0.74 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 29.65 1poz s PRO 61 CO 0.59 -1.14 0.18 0.99 0.04 0.00 0.00 177.00 177.67 1poz s THR 62 N 5.00 4.77 0.60 1.26 2.01 -1.26 -1.71 115.64 126.31 1poz s THR 62 Ca 0.83 -0.94 0.29 0.00 0.31 0.00 0.00 61.69 62.18 1poz s THR 62 Cb -0.35 -3.44 0.36 0.00 0.01 0.00 0.00 72.50 69.08 1poz s THR 62 CO 0.35 -0.10 1.96 0.00 -0.69 0.00 0.00 174.62 176.15 1poz h MET 63 N 2.35 0.00 0.20 4.92 -0.00 -1.99 -0.19 114.93 120.22 1poz h MET 63 Ca -0.48 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 58.91 1poz h MET 63 Cb 1.20 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.82 1poz h MET 63 CO 0.65 0.00 -1.47 0.00 -0.00 0.00 0.00 176.91 176.09 1poz h ALA 64 N 1.53 -0.01 -0.37 -3.00 0.00 -1.98 -2.53 119.26 112.91 1poz h ALA 64 Ca 0.14 -0.95 -0.13 0.00 0.00 0.00 0.00 54.91 53.97 1poz h ALA 64 Cb 0.88 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1poz h ALA 64 CO -0.00 0.77 -0.28 1.96 0.00 0.00 0.00 179.25 181.69 1poz h GLN 65 N 0.01 0.77 0.04 0.00 4.20 -1.51 -1.05 115.11 117.57 1poz h GLN 65 Ca -0.28 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.09 1poz h GLN 65 Cb 2.03 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.79 1poz h GLN 65 CO 0.20 0.96 -0.02 0.00 -0.67 0.00 0.00 178.83 179.31 1poz h MET 66 N 0.66 -0.05 0.06 1.46 -0.00 -1.24 -2.52 114.93 113.31 1poz h MET 66 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.79 1poz h MET 66 Cb 0.81 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.41 1poz h MET 66 CO 0.07 0.59 -0.08 0.93 -0.00 0.00 0.00 176.91 178.43 1poz h GLU 67 N -0.79 -0.16 -0.37 -0.10 5.08 -1.51 0.55 114.58 117.27 1poz h GLU 67 Ca -0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1poz h GLU 67 Cb 0.67 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1poz h GLU 67 CO 0.01 -0.11 0.04 0.87 -1.00 0.00 0.00 179.01 178.82 1poz h LYS 68 N -0.17 0.15 0.00 2.33 1.79 -1.31 0.59 116.57 119.94 1poz h LYS 68 Ca 0.01 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1poz h LYS 68 Cb 0.17 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1poz h LYS 68 CO -0.03 0.10 -0.11 0.00 -1.08 0.00 0.00 179.45 178.32 1poz h ALA 69 N 1.30 1.26 0.13 3.86 0.00 -1.06 -1.60 119.26 123.16 1poz h ALA 69 Ca 0.18 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 1poz h ALA 69 Cb 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1poz h ALA 69 CO -0.27 0.14 -1.24 -0.07 0.00 0.00 0.00 179.25 177.80 1poz h LEU 70 N 0.00 0.46 -0.45 0.00 3.38 0.40 -2.22 115.31 116.88 1poz h LEU 70 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1poz h LEU 70 Cb 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1poz h LEU 70 CO 0.01 1.37 -0.03 -1.54 0.09 0.00 0.00 178.44 178.34 1poz n SER 71 N -3.56 0.73 -0.68 -0.43 3.41 0.17 -3.30 113.62 109.96 1poz n SER 71 Ca -0.09 -1.09 0.07 0.00 -0.26 0.00 0.00 58.87 57.50 1poz n SER 71 Cb 1.02 -0.01 0.13 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.52 0.57 -0.74 -1.33 -6.64 -0.65 -5.00 119.36 105.05 1poz n ILE 72 Ca 0.19 -0.79 0.00 0.00 -1.77 0.00 0.00 62.75 60.39 1poz n ILE 72 Cb 0.25 0.84 0.00 0.00 -1.44 0.00 0.00 39.64 39.29 1poz n ILE 72 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1poz n GLY 73 N 0.76 0.43 3.17 3.28 0.00 -1.21 -4.95 105.19 106.66 1poz n GLY 73 Ca 0.12 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.49 -0.81 -0.12 1.61 5.36 -0.84 -4.99 117.98 115.70 1poz s PHE 74 Ca 0.00 1.34 -0.21 0.00 -0.96 0.00 0.00 56.93 57.10 1poz s PHE 74 Cb 0.00 0.23 0.05 0.00 -0.34 0.00 0.00 43.02 42.96 1poz s PHE 74 CO 0.00 -0.55 0.52 -2.00 -1.46 0.00 0.00 175.22 171.74 1poz s GLU 75 N 2.60 0.74 0.00 10.12 2.12 -1.26 -4.28 118.70 128.74 1poz s GLU 75 Ca 0.02 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1poz s GLU 75 Cb -0.13 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.61 1poz s GLU 75 CO -0.14 -0.16 0.00 0.25 -0.54 0.00 0.00 175.26 174.67 1poz n THR 76 N 1.98 0.00 -3.13 -1.70 -2.24 -1.26 -5.03 114.28 102.90 1poz n THR 76 Ca -0.17 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1poz n THR 76 Cb 0.56 -0.62 0.02 0.00 -2.10 0.00 0.00 70.33 68.20 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 -3.89 1.60 -2.77 0.00 1.74 -1.26 -4.94 116.66 107.14 1poz n ARG 78 Ca -0.08 -2.79 -0.03 0.00 -0.77 0.00 0.00 57.85 54.17 1poz n ARG 78 Cb 0.59 -1.59 0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1poz n ARG 78 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1poz n TYR 79 N -1.23 -2.22 -3.27 -1.55 4.01 -1.26 -4.65 117.16 106.99 1poz n TYR 79 Ca 0.18 0.83 -0.38 0.00 -0.16 0.00 0.00 57.90 58.37 1poz n TYR 79 Cb 0.71 -3.62 -0.06 0.00 -0.31 0.00 0.00 39.34 36.06 1poz n TYR 79 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1poz s GLY 80 N -2.94 2.55 0.38 2.72 0.00 0.23 -3.25 107.32 107.02 1poz s GLY 80 Ca 0.11 -0.05 -0.26 0.00 0.00 0.00 0.00 44.72 44.52 1poz s GLY 80 CO 0.59 0.66 1.16 0.33 0.00 0.00 0.00 173.10 175.84 1poz n PHE 81 N 2.74 1.78 -2.81 1.90 7.35 0.22 -0.29 117.46 128.34 1poz n PHE 81 Ca -0.08 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1poz n PHE 81 Cb 0.51 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 38.02 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1poz n ILE 82 N -0.08 0.00 -0.58 -2.13 0.13 0.14 -2.24 119.36 114.60 1poz n ILE 82 Ca 0.07 0.00 0.47 0.00 -1.10 0.00 0.00 62.75 62.19 1poz n ILE 82 Cb 0.37 -0.43 0.74 0.00 -0.84 0.00 0.00 39.64 39.48 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 -0.00 -1.69 -3.26 114.58 119.14 1poz h GLU 83 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1poz h GLU 83 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1poz h GLU 83 CO 0.00 0.00 -0.01 0.41 -0.00 0.00 0.00 179.01 179.41 1poz n GLY 84 N -1.87 -0.65 3.64 1.06 0.00 -1.26 -4.84 105.19 101.27 1poz n GLY 84 Ca 0.39 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 1poz n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1poz s HIS 85 N 0.00 -0.20 -0.20 1.61 3.76 -1.23 -5.12 115.29 113.92 1poz s HIS 85 Ca 0.00 0.48 -0.31 0.00 -0.15 0.00 0.00 55.06 55.09 1poz s HIS 85 Cb 0.01 0.45 -0.08 0.00 1.11 0.00 0.00 32.58 34.07 1poz s HIS 85 CO -0.00 -0.11 2.14 1.55 -0.85 0.00 0.00 174.74 177.47 1poz n VAL 86 N 1.61 0.40 -4.51 -0.90 3.14 -1.26 0.25 118.33 117.06 1poz n VAL 86 Ca -0.10 -0.34 -0.24 0.00 -2.96 0.00 0.00 64.34 60.71 1poz n VAL 86 Cb 0.57 -2.27 -0.10 0.00 -1.06 0.00 0.00 33.84 30.98 1poz n VAL 86 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1poz s VAL 87 N 7.11 1.30 0.04 1.55 0.11 0.60 -2.65 120.40 128.46 1poz s VAL 87 Ca 1.00 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.09 1poz s VAL 87 Cb -0.50 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1poz s VAL 87 CO 0.41 0.00 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.43 1poz s ILE 88 N -3.15 0.96 0.05 7.04 1.01 0.27 0.77 121.20 128.15 1poz s ILE 88 Ca 0.34 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1poz s ILE 88 Cb 0.08 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.59 1poz s ILE 88 CO 0.15 -0.06 0.25 -2.65 0.00 0.00 0.00 174.94 172.63 1poz n PRO 89 N 1.87 0.00 -3.00 2.79 -0.02 -1.26 -2.52 135.00 132.86 1poz n PRO 89 Ca -0.19 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.13 1poz n PRO 89 Cb 0.55 -0.41 -0.01 0.00 -0.02 0.00 0.00 33.50 33.61 1poz n PRO 89 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1poz n ARG 90 N 0.41 0.81 0.00 -0.52 3.00 -1.26 0.64 116.66 119.74 1poz n ARG 90 Ca 0.07 -2.63 0.00 0.00 -0.00 0.00 0.00 57.85 55.28 1poz n ARG 90 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1poz n ARG 90 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1poz n ILE 91 N 1.19 0.00 -2.59 5.15 3.06 -1.26 -4.76 119.36 120.14 1poz n ILE 91 Ca 0.16 1.28 -0.02 0.00 -2.50 0.00 0.00 62.75 61.68 1poz n ILE 91 Cb 0.60 -2.26 0.05 0.00 0.54 0.00 0.00 39.64 38.57 1poz n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1poz n HIS 92 N -1.70 -0.89 0.00 9.51 1.44 -1.26 -4.80 115.22 117.51 1poz n HIS 92 Ca 0.00 -0.79 0.00 0.00 -2.01 0.00 0.00 57.72 54.92 1poz n HIS 92 Cb 0.00 1.05 0.00 0.00 0.12 0.00 0.00 29.99 31.16 1poz n HIS 92 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1poz n PRO 93 N -0.62 0.00 -0.85 -1.40 -0.04 -1.26 -5.02 135.00 125.80 1poz n PRO 93 Ca -0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.31 1poz n PRO 93 Cb 0.67 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.08 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 0.00 -0.71 -0.81 3.54 5.15 -1.26 -5.07 115.26 116.10 1poz n ASN 94 Ca 0.00 -1.71 0.05 0.00 -0.60 0.00 0.00 54.58 52.32 1poz n ASN 94 Cb 0.00 0.21 -0.03 0.00 -0.53 0.00 0.00 39.78 39.44 1poz n ASN 94 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1poz n SER 95 N 0.00 -4.38 -1.75 1.20 7.64 -1.23 -4.99 113.62 110.10 1poz n SER 95 Ca -0.20 0.90 -0.01 0.00 1.01 0.00 0.00 58.87 60.57 1poz n SER 95 Cb 0.64 -2.49 -0.01 0.00 -1.01 0.00 0.00 64.21 61.34 1poz n SER 95 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1poz n ILE 96 N -2.70 -6.74 -0.12 0.44 5.41 -1.22 -4.63 119.36 109.79 1poz n ILE 96 Ca -0.03 1.17 -0.16 0.00 1.00 0.00 0.00 62.75 64.73 1poz n ILE 96 Cb 0.32 -4.49 -0.11 0.00 -0.71 0.00 0.00 39.64 34.64 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 0.05 1.28 0.00 0.00 0.00 -1.91 -1.86 119.26 116.81 1poz h ALA 98 Ca -0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1poz h ALA 98 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1poz h ALA 98 CO -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.03 1poz n ALA 99 N -2.10 3.00 0.43 0.00 0.00 -1.26 -4.81 120.51 115.78 1poz n ALA 99 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1poz n ALA 99 Cb 0.20 0.05 0.37 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.85 0.25 -1.09 0.00 2.85 -1.05 -4.97 115.26 108.40 1poz n ASN 100 Ca 0.00 0.57 0.00 0.00 -0.11 0.00 0.00 54.58 55.04 1poz n ASN 100 Cb 0.00 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.40 1poz n ASN 100 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1poz n ASN 101 N -1.78 -4.87 -1.36 1.20 5.15 0.15 -4.83 115.26 108.91 1poz n ASN 101 Ca 0.03 0.56 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 1poz n ASN 101 Cb 0.18 -2.51 0.00 0.00 -0.53 0.00 0.00 39.78 36.92 1poz n ASN 101 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1poz n THR 102 N 0.67 -4.68 0.00 -0.44 -1.04 -1.23 -4.52 114.28 103.04 1poz n THR 102 Ca 0.00 2.05 0.00 0.00 -2.04 0.00 0.00 64.05 64.06 1poz n THR 102 Cb 0.00 -2.82 0.00 0.00 -1.82 0.00 0.00 70.33 65.69 1poz n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1poz n GLY 103 N -0.81 4.10 3.53 3.41 0.00 0.21 -3.46 105.19 112.16 1poz n GLY 103 Ca 0.00 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.24 -0.04 -4.04 1.61 3.14 -1.15 -3.68 118.33 112.94 1poz n VAL 104 Ca 0.00 -0.47 -0.35 0.00 -2.96 0.00 0.00 64.34 60.57 1poz n VAL 104 Cb 0.00 -1.85 -0.13 0.00 -1.06 0.00 0.00 33.84 30.80 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 10.79 3.01 0.17 1.45 6.14 -1.05 -4.17 117.35 133.69 1poz s TYR 105 Ca 1.14 -0.57 0.06 0.00 0.64 0.00 0.00 57.07 58.33 1poz s TYR 105 Cb -0.63 -2.09 -0.04 0.00 0.42 0.00 0.00 41.96 39.62 1poz s TYR 105 CO 0.36 -0.32 0.09 0.42 0.64 0.00 0.00 175.55 176.74 1poz s ILE 106 N 1.13 4.21 -0.24 3.14 -1.09 -1.25 0.94 121.20 128.05 1poz s ILE 106 Ca 0.02 -1.20 -0.10 0.00 -2.23 0.00 0.00 60.65 57.14 1poz s ILE 106 Cb -0.14 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 1poz s ILE 106 CO 0.01 -0.11 0.14 -0.22 -1.23 0.00 0.00 174.94 173.54 1poz s LEU 107 N -3.04 4.01 -0.85 2.97 0.20 -1.09 -4.99 118.68 115.88 1poz s LEU 107 Ca 0.30 0.06 -0.08 0.00 0.69 0.00 0.00 54.13 55.10 1poz s LEU 107 Cb -0.10 -2.07 0.22 0.00 -0.43 0.00 0.00 46.19 43.81 1poz s LEU 107 CO 0.22 0.05 0.76 0.42 -0.29 0.00 0.00 176.35 177.51 1poz s THR 108 N 1.13 5.01 -0.34 3.68 -4.23 -1.26 -4.67 115.64 114.95 1poz s THR 108 Ca 0.07 -3.06 0.14 0.00 -1.18 0.00 0.00 61.69 57.66 1poz s THR 108 Cb -0.14 -4.10 0.43 0.00 1.34 0.00 0.00 72.50 70.03 1poz s THR 108 CO 0.05 -1.04 1.31 -0.24 -0.54 0.00 0.00 174.62 174.16 1poz n SER 109 N 3.27 -0.61 -1.26 3.99 2.88 -1.26 -4.95 113.62 115.68 1poz n SER 109 Ca 0.16 -2.35 -0.16 0.00 -1.33 0.00 0.00 58.87 55.19 1poz n SER 109 Cb 0.41 0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 64.20 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 -0.84 -5.48 -2.84 -3.46 4.13 -1.26 -3.80 115.26 101.72 1poz n ASN 110 Ca -0.04 0.40 -0.01 0.00 1.68 0.00 0.00 54.58 56.61 1poz n ASN 110 Cb 0.85 -4.48 -0.01 0.00 -1.54 0.00 0.00 39.78 34.60 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 -2.27 -9.25 0.00 3.41 -1.04 -1.26 -5.03 114.28 98.84 1poz n THR 111 Ca -0.16 1.55 0.00 0.00 -2.04 0.00 0.00 64.05 63.40 1poz n THR 111 Cb 0.63 -5.76 0.00 0.00 -1.82 0.00 0.00 70.33 63.39 1poz n THR 111 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1poz n SER 112 N 1.03 0.00 -3.62 8.00 2.88 -1.25 -5.08 113.62 115.58 1poz n SER 112 Ca -0.04 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.46 1poz n SER 112 Cb 0.19 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.60 1poz n SER 112 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1poz s GLN 113 N 0.00 0.59 0.00 -1.46 -0.21 -1.26 -4.83 119.66 112.49 1poz s GLN 113 Ca 0.00 1.22 0.00 0.00 0.02 0.00 0.00 55.36 56.60 1poz s GLN 113 Cb 0.00 0.44 0.00 0.00 1.00 0.00 0.00 33.01 34.45 1poz s GLN 113 CO 0.00 -0.16 0.00 0.66 -2.12 0.00 0.00 175.29 173.67 1poz n TYR 114 N 4.74 0.00 -2.91 0.91 4.01 -1.02 -2.57 117.16 120.33 1poz n TYR 114 Ca -0.16 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.55 1poz n TYR 114 Cb 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.59 1poz n TYR 114 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1poz n ASP 115 N 0.00 0.27 -3.56 7.72 5.75 -1.20 -2.15 116.55 123.38 1poz n ASP 115 Ca 0.00 -1.20 -0.16 0.00 -0.01 0.00 0.00 54.79 53.41 1poz n ASP 115 Cb 0.00 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 39.96 1poz n ASP 115 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1poz s THR 116 N 0.41 0.00 0.16 2.12 -1.32 -1.07 -0.61 115.64 115.33 1poz s THR 116 Ca 0.08 -0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.60 1poz s THR 116 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1poz s THR 116 CO 0.05 -0.00 0.24 -0.31 -2.21 0.00 0.00 174.62 172.39 1poz s TYR 117 N -0.57 3.37 -0.26 9.09 2.02 -0.95 -1.49 117.35 128.56 1poz s TYR 117 Ca -0.07 0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.57 1poz s TYR 117 Cb -0.02 -1.61 0.09 0.00 -0.40 0.00 0.00 41.96 40.02 1poz s TYR 117 CO 0.06 0.52 0.62 0.00 -1.57 0.00 0.00 175.55 175.18 1poz s PHE 119 N 1.91 2.71 -0.26 0.00 2.19 -1.13 -0.50 117.98 122.91 1poz s PHE 119 Ca -0.09 -0.15 -0.18 0.00 0.33 0.00 0.00 56.93 56.84 1poz s PHE 119 Cb -0.07 -4.20 -0.03 0.00 -1.31 0.00 0.00 43.02 37.41 1poz s PHE 119 CO -0.18 -1.51 0.52 0.54 1.83 0.00 0.00 175.22 176.42 1poz s ASN 120 N 3.16 6.44 0.54 6.13 2.20 0.14 -2.25 114.94 131.29 1poz s ASN 120 Ca 0.29 0.53 0.34 0.00 -0.94 0.00 0.00 52.86 53.08 1poz s ASN 120 Cb -0.13 -2.28 1.86 0.00 -2.00 0.00 0.00 41.25 38.70 1poz s ASN 120 CO 0.17 -0.28 2.04 0.00 -2.94 0.00 0.00 177.10 176.09 1poz h ALA 121 N 7.97 1.05 -0.89 3.54 0.00 -1.65 -1.10 119.26 128.18 1poz h ALA 121 Ca -0.29 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1poz h ALA 121 Cb 1.14 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1poz h ALA 121 CO 0.72 -0.05 0.56 1.03 0.00 0.00 0.00 179.25 181.51 1poz h SER 122 N 0.00 0.91 -3.29 0.00 0.87 -1.81 -3.40 113.55 106.82 1poz h SER 122 Ca 0.00 0.01 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1poz h SER 122 Cb 0.10 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 61.81 1poz h SER 122 CO 0.00 0.60 -0.06 0.00 -0.53 0.00 0.00 176.83 176.84 1poz s ALA 123 N -6.07 3.49 0.70 6.23 0.00 -0.42 -5.05 121.76 120.64 1poz s ALA 123 Ca -0.13 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 1poz s ALA 123 Cb 0.18 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1poz s ALA 123 CO 0.80 0.12 0.73 -2.30 0.00 0.00 0.00 175.76 175.10 1poz n PRO 124 N 3.04 0.44 -1.46 0.00 -0.02 -1.26 -4.18 135.00 131.56 1poz n PRO 124 Ca -0.07 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 1poz n PRO 124 Cb 0.51 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1poz n PRO 124 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1poz n PRO 125 N -1.12 2.44 0.04 0.52 -0.02 -1.25 -1.47 135.00 134.14 1poz n PRO 125 Ca 0.12 -2.26 0.00 0.00 -2.02 0.00 0.00 63.50 59.33 1poz n PRO 125 Cb 0.49 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1poz n PRO 125 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1poz n GLU 126 N 6.09 0.00 -3.65 -0.52 -0.58 -1.00 -4.89 120.64 116.09 1poz n GLU 126 Ca 0.53 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 57.24 1poz n GLU 126 Cb 0.37 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.17 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1poz s GLU 127 N -2.00 0.16 -0.30 3.49 -1.05 -1.23 -0.58 118.70 117.20 1poz s GLU 127 Ca 0.00 0.22 -0.14 0.00 -0.15 0.00 0.00 54.97 54.90 1poz s GLU 127 Cb 0.00 0.07 0.14 0.00 -0.44 0.00 0.00 34.13 33.90 1poz s GLU 127 CO 0.00 -0.02 0.85 0.34 0.95 0.00 0.00 175.26 177.37 1poz s ASP 128 N 0.42 -0.79 -0.06 0.83 2.15 0.58 -4.62 116.67 115.18 1poz s ASP 128 Ca 0.02 1.12 0.09 0.00 0.43 0.00 0.00 52.55 54.20 1poz s ASP 128 Cb -0.04 1.77 0.17 0.00 -0.30 0.00 0.00 42.92 44.52 1poz s ASP 128 CO -0.13 -0.16 1.11 0.00 -0.17 0.00 0.00 175.17 175.82 1poz n THR 130 N -0.68 1.82 -1.53 0.00 -1.04 -1.26 -4.66 114.28 106.92 1poz n THR 130 Ca 0.08 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.05 61.31 1poz n THR 130 Cb 0.45 -0.61 -0.09 0.00 -1.82 0.00 0.00 70.33 68.25 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 1.59 1.33 -0.35 8.00 3.41 -1.26 -4.74 113.62 121.60 1poz n SER 131 Ca 0.13 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1poz n SER 131 Cb 0.28 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 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 7.76 0.00 0.02 -3.33 0.31 -1.26 -4.20 118.33 117.63 1poz n VAL 132 Ca 0.50 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.99 1poz n VAL 132 Cb 0.35 -0.33 0.27 0.00 -0.91 0.00 0.00 33.84 33.22 1poz n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1poz h THR 133 N 0.00 0.01 -3.26 2.52 1.03 -1.89 -3.36 112.91 107.95 1poz h THR 133 Ca 0.00 0.00 -0.58 0.00 -0.01 0.00 0.00 66.41 65.82 1poz h THR 133 Cb 0.31 0.02 -0.06 0.00 -1.07 0.00 0.00 68.15 67.35 1poz h THR 133 CO 0.00 0.00 -0.07 -1.81 -0.01 0.00 0.00 175.52 173.63 1poz s ASP 134 N -3.31 6.90 -0.50 0.00 1.11 -1.26 -4.50 116.67 115.10 1poz s ASP 134 Ca -0.02 1.07 0.08 0.00 0.18 0.00 0.00 52.55 53.86 1poz s ASP 134 Cb 0.08 -2.33 0.33 0.00 1.07 0.00 0.00 42.92 42.08 1poz s ASP 134 CO 0.28 0.13 0.84 0.18 1.18 0.00 0.00 175.17 177.78 1poz n LEU 135 N 2.70 2.98 -0.01 1.23 4.77 -1.26 -4.68 117.00 122.74 1poz n LEU 135 Ca -0.08 -5.39 0.00 0.00 -0.03 0.00 0.00 56.01 50.50 1poz n LEU 135 Cb 0.51 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1poz n LEU 135 CO 0.42 2.31 0.00 -2.65 -1.33 0.00 0.00 177.39 176.14 1poz n PRO 136 N 0.07 0.00 0.00 3.23 -0.02 -0.79 -0.89 135.00 136.60 1poz n PRO 136 Ca 0.28 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.82 1poz n PRO 136 Cb 0.49 -1.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.02 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 -0.30 1.90 -0.58 2.55 2.85 0.56 -4.88 115.26 117.35 1poz n ASN 137 Ca 0.00 -1.45 0.00 0.00 -0.11 0.00 0.00 54.58 53.02 1poz n ASN 137 Cb 0.00 0.05 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1poz n ALA 138 N 0.56 0.00 -2.58 5.20 0.00 -0.07 -4.70 120.51 118.93 1poz n ALA 138 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 1poz n ALA 138 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 1poz n ALA 138 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1poz s PHE 139 N 1.61 2.40 0.60 0.00 -0.71 -0.99 -4.96 117.98 115.93 1poz s PHE 139 Ca 0.00 -0.68 -0.19 0.00 -1.04 0.00 0.00 56.93 55.02 1poz s PHE 139 Cb 0.00 -1.61 -0.03 0.00 -1.21 0.00 0.00 43.02 40.17 1poz s PHE 139 CO 0.00 0.41 1.25 0.16 -1.34 0.00 0.00 175.22 175.70 1poz s ASP 140 N -3.65 5.03 0.00 1.98 -4.77 -1.26 -1.70 116.67 112.29 1poz s ASP 140 Ca 0.34 2.51 0.00 0.00 -3.30 0.00 0.00 52.55 52.10 1poz s ASP 140 Cb 0.08 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1poz s ASP 140 CO 0.17 -1.71 0.00 0.61 0.70 0.00 0.00 175.17 174.94 1poz n GLY 141 N 0.67 3.75 0.08 2.12 0.00 -1.15 -4.54 105.19 106.11 1poz n GLY 141 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.06 0.49 -1.53 1.61 -0.02 -1.24 -2.04 135.00 131.21 1poz n PRO 142 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1poz n PRO 142 Cb 0.00 -1.04 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 1poz n PRO 142 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1poz n ILE 143 N -0.38 -0.01 -1.55 4.25 2.08 -0.59 -4.70 119.36 118.45 1poz n ILE 143 Ca 0.00 -0.53 -0.28 0.00 0.56 0.00 0.00 62.75 62.50 1poz n ILE 143 Cb 0.02 -2.11 -0.09 0.00 -0.75 0.00 0.00 39.64 36.71 1poz n ILE 143 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1poz n THR 144 N 7.78 1.02 -2.61 1.39 -1.04 -0.53 -0.22 114.28 120.09 1poz n THR 144 Ca 0.44 -1.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.01 1poz n THR 144 Cb 0.38 -2.11 -0.02 0.00 -1.82 0.00 0.00 70.33 66.76 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 11.69 4.22 -0.24 12.58 1.01 0.53 -1.89 121.20 149.10 1poz s ILE 145 Ca 0.71 1.25 -0.02 0.00 0.00 0.00 0.00 60.65 62.59 1poz s ILE 145 Cb 0.02 -4.59 0.02 0.00 0.01 0.00 0.00 42.46 37.92 1poz s ILE 145 CO 0.18 -0.98 -0.06 -0.89 0.00 0.00 0.00 174.94 173.19 1poz s THR 146 N 4.41 2.97 -0.42 2.92 2.01 -1.15 -0.18 115.64 126.20 1poz s THR 146 Ca 0.48 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 1poz s THR 146 Cb -0.07 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 70.00 1poz s THR 146 CO 0.31 0.25 0.30 0.27 -0.69 0.00 0.00 174.62 175.06 1poz s ILE 147 N 1.36 5.10 -0.34 1.82 -0.00 -0.23 0.61 121.20 129.52 1poz s ILE 147 Ca 0.01 -0.80 -0.27 0.00 -0.00 0.00 0.00 60.65 59.59 1poz s ILE 147 Cb -0.16 -3.90 0.01 0.00 -0.00 0.00 0.00 42.46 38.42 1poz s ILE 147 CO -0.04 -0.36 0.97 -0.69 -0.00 0.00 0.00 174.94 174.82 1poz s VAL 148 N 1.64 4.58 -0.86 8.37 1.01 0.15 -1.39 120.40 133.91 1poz s VAL 148 Ca 0.04 1.43 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1poz s VAL 148 Cb -0.20 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.88 1poz s VAL 148 CO 0.08 -0.47 1.36 0.20 0.00 0.00 0.00 175.10 176.27 1poz s ASN 149 N 1.74 6.31 -0.42 3.32 0.02 0.75 0.21 114.94 126.86 1poz s ASN 149 Ca 0.40 -0.89 0.00 0.00 -1.02 0.00 0.00 52.86 51.36 1poz s ASN 149 Cb -0.12 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.58 1poz s ASN 149 CO 0.16 -1.70 0.00 -1.14 0.02 0.00 0.00 177.10 174.45 1poz n ARG 150 N 9.17 -1.79 -0.71 -0.60 0.00 0.73 0.97 116.66 124.43 1poz n ARG 150 Ca 0.16 0.46 0.00 0.00 -0.00 0.00 0.00 57.85 58.47 1poz n ARG 150 Cb 0.50 -4.38 0.00 0.00 0.00 0.00 0.00 32.46 28.57 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 0.15 -1.14 -0.08 6.15 2.03 -1.26 -4.90 116.55 117.50 1poz n ASP 151 Ca -0.04 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.12 1poz n ASP 151 Cb 0.36 -0.19 -0.14 0.00 -0.72 0.00 0.00 41.12 40.43 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 -2.38 -0.69 2.83 0.27 0.00 0.27 -4.89 105.19 100.60 1poz n GLY 152 Ca 0.00 -0.22 -0.13 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 -2.53 -0.50 -0.08 2.61 -4.23 -1.03 -4.96 115.64 104.92 1poz s THR 153 Ca -0.20 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1poz s THR 153 Cb 0.07 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1poz s THR 153 CO 0.74 -0.30 0.17 0.00 -0.54 0.00 0.00 174.62 174.69 1poz s ARG 154 N 2.45 3.47 0.26 3.99 1.70 -1.26 -0.18 118.95 129.38 1poz s ARG 154 Ca 0.10 -0.15 0.11 0.00 -0.47 0.00 0.00 55.73 55.32 1poz s ARG 154 Cb -0.14 -3.16 -0.05 0.00 -0.57 0.00 0.00 34.95 31.03 1poz s ARG 154 CO -0.25 0.74 -0.19 0.71 -1.08 0.00 0.00 175.30 175.24 1poz s TYR 155 N -1.12 2.15 -0.08 5.89 2.02 -0.48 -4.93 117.35 120.79 1poz s TYR 155 Ca 0.19 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1poz s TYR 155 Cb -0.12 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 1poz s TYR 155 CO 0.09 0.63 -0.19 0.54 -1.57 0.00 0.00 175.55 175.05 1poz s VAL 156 N -2.63 1.65 0.12 0.71 0.11 -1.26 -1.07 120.40 118.03 1poz s VAL 156 Ca 0.28 -0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 58.41 1poz s VAL 156 Cb -0.04 -1.45 0.02 0.00 -1.53 0.00 0.00 36.38 33.39 1poz s VAL 156 CO 0.13 0.47 0.34 -1.58 -3.33 0.00 0.00 175.10 171.13 1poz s GLN 157 N 0.44 1.01 -0.21 1.54 0.74 0.75 -4.97 119.66 118.95 1poz s GLN 157 Ca -0.16 -0.78 -0.07 0.00 0.05 0.00 0.00 55.36 54.41 1poz s GLN 157 Cb -0.17 0.43 -0.03 0.00 1.10 0.00 0.00 33.01 34.35 1poz s GLN 157 CO 0.06 -0.38 0.05 0.21 -0.55 0.00 0.00 175.29 174.68 1poz s LYS 158 N -3.82 3.75 0.00 1.67 2.20 -1.26 0.20 119.74 122.48 1poz s LYS 158 Ca 0.04 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1poz s LYS 158 Cb 0.03 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1poz s LYS 158 CO -0.12 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1poz n GLY 159 N 4.26 4.77 3.46 5.54 0.00 0.70 -4.79 105.19 119.12 1poz n GLY 159 Ca -0.16 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.25 1poz n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1poz s GLU 160 N 4.40 0.29 0.00 1.61 -6.30 -0.69 -1.54 118.70 116.47 1poz s GLU 160 Ca 0.00 0.66 0.00 0.00 -2.50 0.00 0.00 54.97 53.13 1poz s GLU 160 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 34.13 34.45 1poz s GLU 160 CO 0.00 -0.09 0.13 2.48 0.02 0.00 0.00 175.26 177.80 1poz n TYR 161 N 4.58 0.00 0.00 5.30 4.11 -1.26 -2.35 117.16 127.54 1poz n TYR 161 Ca -0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 1poz n TYR 161 Cb 0.54 0.24 0.00 0.00 -0.00 0.00 0.00 39.34 40.12 1poz n TYR 161 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1poz n ARG 162 N 0.00 0.00 -0.87 -3.48 0.63 -1.26 -4.91 116.66 106.78 1poz n ARG 162 Ca -0.03 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1poz n ARG 162 Cb 0.22 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.34 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1poz n THR 163 N -2.02 0.00 -3.19 5.15 -1.04 -1.26 -4.83 114.28 107.10 1poz n THR 163 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1poz n THR 163 Cb 0.00 -0.85 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 1poz n THR 163 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1poz s ASN 164 N -2.00 0.44 0.43 8.00 3.84 -1.26 -4.98 114.94 119.40 1poz s ASN 164 Ca 0.00 -2.28 0.28 0.00 0.21 0.00 0.00 52.86 51.06 1poz s ASN 164 Cb 0.00 0.55 0.88 0.00 -0.55 0.00 0.00 41.25 42.13 1poz s ASN 164 CO 0.00 -0.15 1.79 1.55 -2.79 0.00 0.00 177.10 177.49 1poz h PRO 165 N 5.79 0.00 0.00 0.43 0.13 -1.99 -3.05 132.00 133.31 1poz h PRO 165 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1poz h PRO 165 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1poz h PRO 165 CO 0.21 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 179.47 1poz h GLU 166 N 0.00 0.00 0.00 0.86 4.81 -1.94 -1.79 114.58 116.53 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 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1poz h GLU 166 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1poz n ASP 167 N -3.05 0.42 -0.02 1.04 8.00 -1.15 -2.85 116.55 118.94 1poz n ASP 167 Ca -0.00 0.58 -0.03 0.00 0.71 0.00 0.00 54.79 56.05 1poz n ASP 167 Cb 0.23 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1poz n ILE 168 N -1.94 0.51 -3.46 0.53 5.41 -0.69 -4.85 119.36 114.86 1poz n ILE 168 Ca 0.04 0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.79 1poz n ILE 168 Cb 0.26 -1.69 -0.06 0.00 -0.71 0.00 0.00 39.64 37.44 1poz n ILE 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1poz n TYR 169 N -3.12 3.53 -2.58 1.39 0.18 -1.09 -5.07 117.16 110.40 1poz n TYR 169 Ca -0.04 -3.85 -0.41 0.00 1.88 0.00 0.00 57.90 55.48 1poz n TYR 169 Cb 0.15 -0.90 -0.05 0.00 -0.38 0.00 0.00 39.34 38.17 1poz n TYR 169 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1poz s PRO 170 N -2.08 4.68 -0.13 -3.48 0.04 -1.13 -4.60 135.00 128.29 1poz s PRO 170 Ca 0.33 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.93 1poz s PRO 170 Cb 0.04 -3.27 0.04 0.00 0.04 0.00 0.00 34.50 31.35 1poz s PRO 170 CO -0.04 0.22 0.19 0.45 0.04 0.00 0.00 177.00 177.86 1poz n SER 171 N 1.91 -2.65 -4.32 6.66 2.88 -1.26 -4.95 113.62 111.89 1poz n SER 171 Ca 0.01 1.48 -0.41 0.00 -1.33 0.00 0.00 58.87 58.61 1poz n SER 171 Cb 0.46 -5.24 -0.10 0.00 -0.75 0.00 0.00 64.21 58.58 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 -0.64 5.78 0.30 -3.46 0.01 -1.26 -5.07 114.94 110.59 1poz s ASN 172 Ca -0.22 -1.37 -0.30 0.00 -0.71 0.00 0.00 52.86 50.27 1poz s ASN 172 Cb 0.01 -2.04 -0.12 0.00 0.41 0.00 0.00 41.25 39.51 1poz s ASN 172 CO 0.59 -0.54 1.46 -2.65 -1.51 0.00 0.00 177.10 174.45 1poz n PRO 173 N 5.00 2.38 -0.66 -0.60 -0.02 -1.26 -4.98 135.00 134.86 1poz n PRO 173 Ca -0.11 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 1poz n PRO 173 Cb 0.44 -2.54 0.26 0.00 -0.02 0.00 0.00 33.50 31.63 1poz n PRO 173 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1poz s THR 174 N -0.42 1.62 0.21 3.45 -4.23 -1.26 -4.89 115.64 110.11 1poz s THR 174 Ca 0.62 0.00 -0.32 0.00 -1.18 0.00 0.00 61.69 60.80 1poz s THR 174 Cb -0.55 -2.20 -0.13 0.00 1.34 0.00 0.00 72.50 70.96 1poz s THR 174 CO 0.54 0.00 1.61 -0.67 -0.54 0.00 0.00 174.62 175.56 1poz n ASP 175 N -5.09 3.50 0.00 3.99 -0.08 -1.26 -4.85 116.55 112.76 1poz n ASP 175 Ca 0.09 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.46 1poz n ASP 175 Cb 0.58 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1poz n ASP 175 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1poz n ASP 176 N 3.24 1.36 -4.67 1.67 8.00 -1.26 -5.06 116.55 119.82 1poz n ASP 176 Ca 0.15 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.20 1poz n ASP 176 Cb 0.33 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 1poz n ASP 176 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1poz n ASP 177 N -1.00 3.88 -0.81 -2.24 2.03 -1.26 -5.33 116.55 111.82 1poz n ASP 177 Ca 0.00 0.96 0.10 0.00 0.52 0.00 0.00 54.79 56.37 1poz n ASP 177 Cb 0.14 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.14 1poz n ASP 177 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80