#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dsm s SER 16 N 0.00 5.48 0.35 0.00 0.01 -1.26 -4.86 113.70 113.42 3dsm s SER 16 Ca 0.00 2.40 -0.14 0.00 1.31 0.00 0.00 55.95 59.52 3dsm s SER 16 Cb 0.00 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.66 3dsm s SER 16 CO 0.00 -1.39 0.70 -0.83 0.41 0.00 0.00 173.24 172.13 3dsm s GLY 17 N -1.47 0.53 -0.06 3.44 0.00 -0.54 -4.59 107.32 104.63 3dsm s GLY 17 Ca 0.73 -0.84 -0.00 0.00 0.00 0.00 0.00 44.72 44.61 3dsm s GLY 17 CO 0.35 -0.43 -0.02 -2.27 0.00 0.00 0.00 173.10 170.73 3dsm s LEU 18 N -3.08 0.99 0.11 0.66 2.96 0.10 -0.78 118.68 119.64 3dsm s LEU 18 Ca 0.18 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.90 3dsm s LEU 18 Cb -0.04 -0.44 -0.06 0.00 0.50 0.00 0.00 46.19 46.15 3dsm s LEU 18 CO 0.12 -0.12 0.41 -0.36 -1.32 0.00 0.00 176.35 175.08 3dsm s PHE 19 N 1.40 3.54 -0.13 5.38 0.40 0.65 -0.22 117.98 129.00 3dsm s PHE 19 Ca -0.04 0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 57.02 3dsm s PHE 19 Cb -0.13 -2.13 0.04 0.00 0.51 0.00 0.00 43.02 41.31 3dsm s PHE 19 CO -0.03 0.48 -0.00 0.42 0.70 0.00 0.00 175.22 176.79 3dsm s ILE 20 N -1.50 0.59 0.24 0.64 1.09 -0.34 -1.56 121.20 120.36 3dsm s ILE 20 Ca 0.36 -0.24 -0.18 0.00 -1.10 0.00 0.00 60.65 59.49 3dsm s ILE 20 Cb -0.13 -0.85 -0.08 0.00 -1.06 0.00 0.00 42.46 40.34 3dsm s ILE 20 CO 0.20 0.10 0.70 0.42 -0.10 0.00 0.00 174.94 176.26 3dsm s THR 21 N 1.86 4.64 -0.19 2.92 -4.23 -0.39 -1.13 115.64 119.12 3dsm s THR 21 Ca 0.03 1.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.67 3dsm s THR 21 Cb -0.14 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.96 3dsm s THR 21 CO -0.07 0.11 -0.11 0.20 -0.54 0.00 0.00 174.62 174.21 3dsm s ASN 22 N -1.83 3.23 0.32 3.99 0.01 -0.00 -2.25 114.94 118.40 3dsm s ASN 22 Ca 0.45 -0.79 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 3dsm s ASN 22 Cb -0.15 -1.22 0.59 0.00 0.41 0.00 0.00 41.25 40.88 3dsm s ASN 22 CO 0.20 -0.12 1.93 -0.33 -1.51 0.00 0.00 177.10 177.26 3dsm h GLU 23 N 7.99 0.92 0.00 -0.60 5.08 -1.10 -2.32 114.58 124.55 3dsm h GLU 23 Ca -0.30 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3dsm h GLU 23 Cb 1.11 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3dsm h GLU 23 CO 0.49 0.61 0.00 0.41 -1.00 0.00 0.00 179.01 179.52 3dsm n GLY 24 N -1.41 -0.81 3.67 -3.84 0.00 0.42 -2.01 105.19 101.21 3dsm n GLY 24 Ca 0.12 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 3dsm n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dsm s ASN 25 N -4.00 5.13 0.12 1.61 -0.87 -1.26 -4.70 114.94 110.98 3dsm s ASN 25 Ca 0.00 0.10 -0.34 0.00 -1.57 0.00 0.00 52.86 51.06 3dsm s ASN 25 Cb 0.00 -1.41 -0.13 0.00 -0.02 0.00 0.00 41.25 39.69 3dsm s ASN 25 CO 0.00 0.37 1.64 0.33 -2.57 0.00 0.00 177.10 176.87 3dsm n PHE 26 N 2.09 2.32 -1.23 2.20 -0.00 -1.26 -1.22 117.46 120.36 3dsm n PHE 26 Ca -0.18 0.20 -0.08 0.00 -0.00 0.00 0.00 57.45 57.39 3dsm n PHE 26 Cb 0.53 -2.57 -0.03 0.00 -0.00 0.00 0.00 39.48 37.41 3dsm n PHE 26 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3dsm n GLN 27 N 4.00 -0.92 0.00 -4.13 7.27 -1.26 -4.82 117.38 117.52 3dsm n GLN 27 Ca 0.18 0.70 0.06 0.00 0.07 0.00 0.00 57.00 58.00 3dsm n GLN 27 Cb 0.29 -4.64 -0.05 0.00 2.41 0.00 0.00 30.24 28.25 3dsm n GLN 27 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3dsm n TYR 28 N -2.59 0.00 -4.23 3.69 4.02 -0.36 -5.00 117.16 112.70 3dsm n TYR 28 Ca -0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.51 3dsm n TYR 28 Cb 0.35 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.59 3dsm n TYR 28 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3dsm n SER 29 N -1.07 0.43 -0.40 7.72 3.41 -1.25 -4.85 113.62 117.61 3dsm n SER 29 Ca 0.03 -1.22 0.07 0.00 -0.26 0.00 0.00 58.87 57.49 3dsm n SER 29 Cb 0.19 -1.93 0.17 0.00 -0.26 0.00 0.00 64.21 62.39 3dsm n SER 29 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3dsm n ASN 30 N -2.88 1.90 -4.77 4.04 6.94 -1.19 -4.73 115.26 114.56 3dsm n ASN 30 Ca -0.32 -3.43 -0.36 0.00 -0.02 0.00 0.00 54.58 50.45 3dsm n ASN 30 Cb 0.69 -0.47 -0.00 0.00 -2.36 0.00 0.00 39.78 37.64 3dsm n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dsm s ALA 31 N -2.87 2.88 0.20 -2.53 0.00 -1.08 -4.49 121.76 113.87 3dsm s ALA 31 Ca 0.34 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 53.14 3dsm s ALA 31 Cb 0.32 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 3dsm s ALA 31 CO -0.03 -0.71 0.27 0.95 0.00 0.00 0.00 175.76 176.24 3dsm s THR 32 N -1.61 0.03 -0.06 0.00 -4.23 -0.87 -4.34 115.64 104.55 3dsm s THR 32 Ca 0.67 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 59.58 3dsm s THR 32 Cb -0.27 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 3dsm s THR 32 CO 0.32 -0.12 -0.25 -0.22 -0.54 0.00 0.00 174.62 173.82 3dsm s LEU 33 N -3.06 2.08 0.21 4.79 2.96 -1.26 -0.82 118.68 123.58 3dsm s LEU 33 Ca 0.27 -0.51 0.11 0.00 -0.22 0.00 0.00 54.13 53.78 3dsm s LEU 33 Cb 0.04 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 3dsm s LEU 33 CO 0.07 0.23 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.68 3dsm s SER 34 N -0.10 3.58 -0.06 3.68 0.01 -0.29 -1.35 113.70 119.18 3dsm s SER 34 Ca -0.06 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 3dsm s SER 34 Cb -0.14 -0.33 0.03 0.00 0.21 0.00 0.00 66.02 65.79 3dsm s SER 34 CO 0.04 0.10 0.00 -0.47 0.41 0.00 0.00 173.24 173.32 3dsm s TYR 35 N -1.86 0.60 -0.05 2.43 5.04 -0.21 -1.20 117.35 122.08 3dsm s TYR 35 Ca 0.23 -0.12 0.03 0.00 -2.44 0.00 0.00 57.07 54.78 3dsm s TYR 35 Cb -0.07 -0.72 -0.03 0.00 0.35 0.00 0.00 41.96 41.49 3dsm s TYR 35 CO 0.12 -0.28 -0.14 -0.47 -1.34 0.00 0.00 175.55 173.44 3dsm s TYR 36 N 1.77 2.72 -0.39 4.97 6.14 0.69 -0.80 117.35 132.45 3dsm s TYR 36 Ca 0.02 -0.15 -0.07 0.00 0.64 0.00 0.00 57.07 57.51 3dsm s TYR 36 Cb -0.13 -1.64 0.07 0.00 0.42 0.00 0.00 41.96 40.69 3dsm s TYR 36 CO -0.04 0.20 0.21 0.34 0.64 0.00 0.00 175.55 176.89 3dsm s ASP 37 N -0.73 5.48 0.57 4.32 -1.08 -0.43 -0.72 116.67 124.08 3dsm s ASP 37 Ca 0.11 -1.49 0.26 0.00 -0.52 0.00 0.00 52.55 50.92 3dsm s ASP 37 Cb -0.11 -1.93 1.67 0.00 -1.46 0.00 0.00 42.92 41.10 3dsm s ASP 37 CO 0.01 -0.48 2.22 -0.65 0.52 0.00 0.00 175.17 176.78 3dsm h PRO 38 N 8.30 0.00 -0.02 4.34 0.11 -1.87 0.49 132.00 143.35 3dsm h PRO 38 Ca -0.21 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.72 3dsm h PRO 38 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3dsm h PRO 38 CO 0.71 0.01 -0.78 0.00 -0.21 0.00 0.00 178.00 177.73 3dsm h ALA 39 N 1.99 0.65 0.00 -0.75 0.00 -1.93 -3.30 119.26 115.91 3dsm h ALA 39 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3dsm h ALA 39 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dsm h ALA 39 CO 0.00 0.86 -1.18 0.25 0.00 0.00 0.00 179.25 179.18 3dsm n THR 40 N -3.73 0.00 -2.53 0.00 -2.24 -0.95 -4.98 114.28 99.86 3dsm n THR 40 Ca -0.03 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 3dsm n THR 40 Cb 0.74 0.62 0.01 0.00 -2.10 0.00 0.00 70.33 69.59 3dsm n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dsm s GLU 42 N -5.08 3.01 0.05 0.00 0.41 -1.16 -4.96 118.70 110.97 3dsm s GLU 42 Ca 0.09 -0.60 0.08 0.00 -0.41 0.00 0.00 54.97 54.13 3dsm s GLU 42 Cb -0.04 -2.61 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 3dsm s GLU 42 CO 0.11 0.48 -0.23 0.54 -0.49 0.00 0.00 175.26 175.67 3dsm s VAL 43 N -0.32 2.44 -0.08 2.63 0.11 -1.26 -1.31 120.40 122.61 3dsm s VAL 43 Ca 0.04 -1.31 0.05 0.00 -2.93 0.00 0.00 61.98 57.82 3dsm s VAL 43 Cb -0.13 -1.99 -0.01 0.00 -1.53 0.00 0.00 36.38 32.73 3dsm s VAL 43 CO 0.02 0.34 -0.24 -0.70 -3.33 0.00 0.00 175.10 171.20 3dsm s GLU 44 N -1.36 2.81 0.19 1.54 2.12 0.02 -4.98 118.70 119.05 3dsm s GLU 44 Ca 0.13 -0.88 0.07 0.00 0.36 0.00 0.00 54.97 54.65 3dsm s GLU 44 Cb -0.10 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 3dsm s GLU 44 CO 0.04 0.29 0.07 -0.80 -0.54 0.00 0.00 175.26 174.32 3dsm s ASN 45 N 0.07 5.09 -1.47 -1.70 0.02 -1.26 -1.05 114.94 114.64 3dsm s ASN 45 Ca -0.10 -0.32 -0.11 0.00 -1.02 0.00 0.00 52.86 51.30 3dsm s ASN 45 Cb -0.16 -1.19 0.06 0.00 0.02 0.00 0.00 41.25 39.99 3dsm s ASN 45 CO 0.06 0.05 1.00 -0.62 0.02 0.00 0.00 177.10 177.61 3dsm n GLU 46 N -0.45 -6.01 0.17 -0.60 1.02 -0.81 -4.89 120.64 109.07 3dsm n GLU 46 Ca -0.09 0.65 0.02 0.00 -0.02 0.00 0.00 57.16 57.72 3dsm n GLU 46 Cb 0.56 -5.55 0.31 0.00 -0.02 0.00 0.00 31.44 26.74 3dsm n GLU 46 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3dsm h VAL 47 N -2.20 1.30 0.03 2.62 -1.51 -1.46 -1.34 116.25 113.69 3dsm h VAL 47 Ca -0.58 -1.52 -0.00 0.00 -1.23 0.00 0.00 66.70 63.37 3dsm h VAL 47 Cb 1.37 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 3dsm h VAL 47 CO 0.64 0.43 -0.02 0.15 -1.23 0.00 0.00 177.57 177.54 3dsm h PHE 48 N 0.00 -0.04 -0.69 5.19 3.04 -1.89 -2.26 116.94 120.29 3dsm h PHE 48 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 3dsm h PHE 48 Cb 0.79 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 3dsm h PHE 48 CO 0.00 0.36 0.29 -0.92 -2.02 0.00 0.00 178.31 176.03 3dsm h TYR 49 N -0.46 1.04 0.00 0.41 3.20 -1.70 0.12 116.97 119.57 3dsm h TYR 49 Ca -0.00 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 3dsm h TYR 49 Cb 0.43 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3dsm h TYR 49 CO 0.06 0.79 -0.21 0.00 -1.64 0.00 0.00 178.16 177.17 3dsm h ARG 50 N 0.98 0.00 0.00 1.82 3.08 -1.25 0.32 114.38 119.33 3dsm h ARG 50 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.09 3dsm h ARG 50 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3dsm h ARG 50 CO -0.02 0.21 -1.48 0.00 -1.07 0.00 0.00 179.97 177.61 3dsm n ALA 51 N -2.48 1.86 -0.04 0.04 0.00 -0.85 -4.53 120.51 114.51 3dsm n ALA 51 Ca -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 3dsm n ALA 51 Cb 0.27 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 3dsm n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dsm n ASN 52 N -2.91 1.99 0.00 0.00 3.02 -0.01 -4.75 115.26 112.61 3dsm n ASN 52 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3dsm n ASN 52 Cb 0.88 1.12 0.00 0.00 -0.61 0.00 0.00 39.78 41.17 3dsm n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dsm n GLY 53 N 2.05 1.00 3.10 7.41 0.00 0.11 -5.03 105.19 113.83 3dsm n GLY 53 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3dsm n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dsm s PHE 54 N -2.85 0.70 0.51 1.61 -0.71 -1.26 -5.05 117.98 110.92 3dsm s PHE 54 Ca 0.00 -0.75 -0.22 0.00 -1.04 0.00 0.00 56.93 54.91 3dsm s PHE 54 Cb 0.00 -0.42 -0.06 0.00 -1.21 0.00 0.00 43.02 41.33 3dsm s PHE 54 CO 0.00 -0.16 1.27 0.15 -1.34 0.00 0.00 175.22 175.14 3dsm s LYS 55 N -2.82 3.42 0.24 1.99 1.02 -1.26 -4.18 119.74 118.15 3dsm s LYS 55 Ca 0.01 2.03 -0.05 0.00 0.02 0.00 0.00 55.97 57.98 3dsm s LYS 55 Cb -0.01 -2.33 0.26 0.00 -0.52 0.00 0.00 37.83 35.22 3dsm s LYS 55 CO -0.03 -0.90 1.77 1.25 -0.92 0.00 0.00 175.35 176.52 3dsm h LEU 56 N 1.74 0.93 0.00 3.17 5.85 -1.93 -3.49 115.31 121.57 3dsm h LEU 56 Ca -0.50 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3dsm h LEU 56 Cb 1.28 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3dsm h LEU 56 CO 0.59 0.90 0.00 0.61 -0.34 0.00 0.00 178.44 180.19 3dsm n GLY 57 N -0.77 0.43 3.15 3.75 0.00 -1.26 -4.97 105.19 105.51 3dsm n GLY 57 Ca 0.05 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 3dsm n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dsm s ASP 58 N -4.00 3.10 -0.52 1.61 2.15 -1.26 -2.62 116.67 115.13 3dsm s ASP 58 Ca 0.00 -0.62 -0.19 0.00 0.43 0.00 0.00 52.55 52.17 3dsm s ASP 58 Cb 0.00 -1.45 0.03 0.00 -0.30 0.00 0.00 42.92 41.20 3dsm s ASP 58 CO 0.00 0.04 0.63 0.55 -0.17 0.00 0.00 175.17 176.23 3dsm n VAL 59 N 4.32 -8.28 -2.03 1.11 3.14 -0.85 -1.50 118.33 114.23 3dsm n VAL 59 Ca -0.20 0.42 -0.42 0.00 -2.96 0.00 0.00 64.34 61.18 3dsm n VAL 59 Cb 0.51 -5.81 -0.03 0.00 -1.06 0.00 0.00 33.84 27.45 3dsm n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dsm s ALA 60 N -2.38 3.68 -0.20 1.55 0.00 -1.24 -1.38 121.76 121.80 3dsm s ALA 60 Ca 0.23 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 3dsm s ALA 60 Cb -0.05 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 3dsm s ALA 60 CO 0.81 -0.71 -0.22 0.94 0.00 0.00 0.00 175.76 176.58 3dsm n GLN 61 N 3.59 0.46 0.00 0.00 -0.06 0.59 -3.58 117.38 118.39 3dsm n GLN 61 Ca 0.11 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.27 3dsm n GLN 61 Cb 0.40 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 25.27 3dsm n GLN 61 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3dsm n SER 62 N -3.49 0.00 -3.59 1.69 3.41 -1.19 -4.63 113.62 105.82 3dsm n SER 62 Ca -0.38 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.14 3dsm n SER 62 Cb 0.83 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.73 3dsm n SER 62 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dsm s VAL 64 N -2.83 0.00 -0.11 -3.33 1.01 -0.45 -0.82 120.40 113.87 3dsm s VAL 64 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3dsm s VAL 64 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 3dsm s VAL 64 CO 0.00 0.00 -0.22 -0.63 0.00 0.00 0.00 175.10 174.25 3dsm s ILE 65 N -0.96 2.21 -0.09 2.22 1.01 -1.26 0.60 121.20 124.93 3dsm s ILE 65 Ca -0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3dsm s ILE 65 Cb -0.01 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.64 3dsm s ILE 65 CO 0.00 0.55 0.03 -0.60 0.00 0.00 0.00 174.94 174.93 3dsm s ARG 66 N 0.37 0.36 -0.83 2.79 3.52 0.74 -4.95 118.95 120.95 3dsm s ARG 66 Ca -0.17 0.10 -0.00 0.00 -0.13 0.00 0.00 55.73 55.53 3dsm s ARG 66 Cb -0.18 -1.07 0.00 0.00 -1.56 0.00 0.00 34.95 32.14 3dsm s ARG 66 CO 0.08 -0.39 0.61 -0.25 -0.81 0.00 0.00 175.30 174.54 3dsm n ASP 67 N 5.19 -4.97 0.00 -2.12 8.00 -1.26 -1.56 116.55 119.83 3dsm n ASP 67 Ca -0.06 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3dsm n ASP 67 Cb 0.50 -1.84 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 3dsm n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dsm n GLY 68 N -1.66 0.31 3.09 0.44 0.00 -1.26 -4.98 105.19 101.13 3dsm n GLY 68 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 3dsm n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dsm s ILE 69 N -1.81 1.43 -0.17 -0.61 1.01 -0.60 -3.07 121.20 117.39 3dsm s ILE 69 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3dsm s ILE 69 Cb 0.00 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3dsm s ILE 69 CO 0.00 0.42 0.04 -0.83 0.00 0.00 0.00 174.94 174.57 3dsm s GLY 70 N 0.47 1.89 -0.28 6.18 0.00 0.04 -0.19 107.32 115.44 3dsm s GLY 70 Ca -0.14 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 3dsm s GLY 70 CO 0.05 -0.04 0.05 -0.98 0.00 0.00 0.00 173.10 172.19 3dsm s TRP 71 N 0.19 3.11 -0.25 1.90 0.52 0.20 -0.83 118.94 123.78 3dsm s TRP 71 Ca 0.03 -0.93 -0.07 0.00 0.02 0.00 0.00 56.10 55.15 3dsm s TRP 71 Cb -0.12 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.94 3dsm s TRP 71 CO 0.01 -0.55 0.08 0.42 0.02 0.00 0.00 176.95 176.92 3dsm s ILE 72 N 1.50 4.37 -0.20 2.03 1.01 0.42 -1.34 121.20 128.99 3dsm s ILE 72 Ca 0.03 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 3dsm s ILE 72 Cb -0.16 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3dsm s ILE 72 CO 0.01 0.34 0.58 -0.69 0.00 0.00 0.00 174.94 175.18 3dsm s VAL 73 N 1.58 5.06 -0.53 2.92 1.01 0.00 -1.16 120.40 129.27 3dsm s VAL 73 Ca 0.06 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 3dsm s VAL 73 Cb -0.15 -3.90 0.14 0.00 0.00 0.00 0.00 36.38 32.47 3dsm s VAL 73 CO 0.04 0.13 0.34 -0.69 0.00 0.00 0.00 175.10 174.92 3dsm s VAL 74 N 1.83 3.50 0.19 2.92 1.01 -0.67 -0.30 120.40 128.88 3dsm s VAL 74 Ca 0.26 -2.61 -0.21 0.00 0.00 0.00 0.00 61.98 59.42 3dsm s VAL 74 Cb -0.16 -3.33 0.13 0.00 0.00 0.00 0.00 36.38 33.02 3dsm s VAL 74 CO 0.10 -0.80 1.57 -1.13 0.00 0.00 0.00 175.10 174.84 3dsm h ASN 75 N 7.42 -1.29 -0.49 3.32 -0.73 -1.36 -2.30 115.58 120.16 3dsm h ASN 75 Ca -0.06 0.25 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 3dsm h ASN 75 Cb 0.99 0.64 -0.02 0.00 0.27 0.00 0.00 38.32 40.20 3dsm h ASN 75 CO 0.71 -0.31 0.04 -3.20 -0.37 0.00 0.00 177.43 174.30 3dsm n ASN 76 N -5.43 4.74 0.00 1.15 5.15 -0.56 -3.68 115.26 116.62 3dsm n ASN 76 Ca 0.05 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 3dsm n ASN 76 Cb 0.36 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 3dsm n ASN 76 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3dsm n SER 77 N 0.41 1.17 -3.88 1.20 7.64 -0.88 -4.61 113.62 114.68 3dsm n SER 77 Ca 0.24 -1.21 -0.30 0.00 1.01 0.00 0.00 58.87 58.62 3dsm n SER 77 Cb 1.05 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.27 3dsm n SER 77 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3dsm n HIS 78 N -0.10 -2.33 -3.62 1.43 8.25 -1.13 -4.94 115.22 112.78 3dsm n HIS 78 Ca 0.00 0.90 -0.11 0.00 -0.26 0.00 0.00 57.72 58.25 3dsm n HIS 78 Cb 0.06 -4.01 -0.04 0.00 1.12 0.00 0.00 29.99 27.11 3dsm n HIS 78 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3dsm s VAL 79 N -3.29 0.06 -0.08 1.59 0.11 -1.23 -2.53 120.40 115.04 3dsm s VAL 79 Ca 0.66 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 3dsm s VAL 79 Cb -0.33 -1.14 0.02 0.00 -1.53 0.00 0.00 36.38 33.40 3dsm s VAL 79 CO 0.81 -0.29 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.56 3dsm s ILE 80 N -3.73 1.08 -0.14 7.04 1.01 -0.35 -1.67 121.20 124.44 3dsm s ILE 80 Ca 0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 3dsm s ILE 80 Cb 0.01 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 3dsm s ILE 80 CO -0.12 0.36 0.15 -0.36 0.00 0.00 0.00 174.94 174.97 3dsm s PHE 81 N 1.07 3.55 -0.23 3.97 0.08 -0.31 -1.00 117.98 125.10 3dsm s PHE 81 Ca -0.07 0.49 -0.05 0.00 0.12 0.00 0.00 56.93 57.42 3dsm s PHE 81 Cb -0.15 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 3dsm s PHE 81 CO -0.01 0.60 0.01 0.00 -0.10 0.00 0.00 175.22 175.72 3dsm s ALA 82 N -0.62 2.97 0.17 5.36 0.00 0.03 -0.43 121.76 129.23 3dsm s ALA 82 Ca 0.13 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 51.02 3dsm s ALA 82 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3dsm s ALA 82 CO 0.03 -0.43 -0.14 0.96 0.00 0.00 0.00 175.76 176.18 3dsm s ILE 83 N 1.49 1.53 -0.13 0.00 -4.36 -0.01 0.03 121.20 119.75 3dsm s ILE 83 Ca 0.06 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 3dsm s ILE 83 Cb -0.15 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 3dsm s ILE 83 CO -0.00 -0.54 1.26 -0.62 0.24 0.00 0.00 174.94 175.28 3dsm s ASP 84 N -2.96 6.96 0.00 4.36 -1.08 0.02 -0.78 116.67 123.19 3dsm s ASP 84 Ca 0.17 1.74 0.04 0.00 -0.52 0.00 0.00 52.55 53.98 3dsm s ASP 84 Cb -0.02 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 39.08 3dsm s ASP 84 CO 0.05 -0.72 1.05 2.30 0.52 0.00 0.00 175.17 178.37 3dsm n ILE 85 N 5.17 1.41 -0.11 4.11 -5.35 -1.17 0.63 119.36 124.05 3dsm n ILE 85 Ca 0.13 0.35 -0.19 0.00 -0.27 0.00 0.00 62.75 62.77 3dsm n ILE 85 Cb 0.45 -1.29 -0.08 0.00 -1.74 0.00 0.00 39.64 36.98 3dsm n ILE 85 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3dsm n ASN 86 N -1.41 1.92 0.01 7.28 3.02 -1.26 -4.64 115.26 120.18 3dsm n ASN 86 Ca 0.01 0.10 0.11 0.00 -0.03 0.00 0.00 54.58 54.78 3dsm n ASN 86 Cb 0.04 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3dsm n ASN 86 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3dsm n THR 87 N -3.59 0.10 -0.78 3.41 -2.24 -1.16 -4.95 114.28 105.07 3dsm n THR 87 Ca -0.40 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3dsm n THR 87 Cb 0.84 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3dsm n THR 87 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dsm n PHE 88 N -1.83 0.00 -2.51 4.78 3.72 0.21 -4.84 117.46 116.98 3dsm n PHE 88 Ca 0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.02 3dsm n PHE 88 Cb 0.41 -0.93 -0.04 0.00 -0.94 0.00 0.00 39.48 37.97 3dsm n PHE 88 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3dsm s LYS 89 N -0.71 4.61 0.22 -1.08 1.02 -1.25 -4.58 119.74 117.97 3dsm s LYS 89 Ca 0.00 1.74 -0.30 0.00 0.02 0.00 0.00 55.97 57.43 3dsm s LYS 89 Cb 0.00 -3.13 -0.10 0.00 -0.52 0.00 0.00 37.83 34.08 3dsm s LYS 89 CO 0.00 0.21 1.43 -2.00 -0.92 0.00 0.00 175.35 174.07 3dsm s GLU 90 N -1.53 4.29 -0.01 1.68 2.12 -1.26 -0.80 118.70 123.19 3dsm s GLU 90 Ca 0.45 2.25 0.09 0.00 0.36 0.00 0.00 54.97 58.12 3dsm s GLU 90 Cb -0.30 -3.14 -0.12 0.00 0.26 0.00 0.00 34.13 30.83 3dsm s GLU 90 CO 0.39 -0.41 0.30 1.33 -0.54 0.00 0.00 175.26 176.32 3dsm n VAL 91 N 2.67 0.00 0.00 3.70 0.24 0.10 -4.89 118.33 120.16 3dsm n VAL 91 Ca 0.08 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3dsm n VAL 91 Cb 0.41 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3dsm n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dsm n GLY 92 N 1.57 -0.18 3.48 7.63 0.00 -1.06 -5.01 105.19 111.61 3dsm n GLY 92 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 3dsm n GLY 92 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dsm s ARG 93 N -2.00 1.10 -0.10 1.61 1.70 -1.26 -0.79 118.95 119.21 3dsm s ARG 93 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 3dsm s ARG 93 Cb 0.00 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.92 3dsm s ARG 93 CO 0.00 -0.42 -0.09 0.42 -1.08 0.00 0.00 175.30 174.13 3dsm s ILE 94 N -2.43 1.06 0.52 4.99 1.01 -0.18 -4.87 121.20 121.31 3dsm s ILE 94 Ca -0.04 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.33 3dsm s ILE 94 Cb -0.01 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.43 3dsm s ILE 94 CO -0.02 0.37 0.33 0.42 0.00 0.00 0.00 174.94 176.04 3dsm s THR 95 N 1.48 1.74 0.00 2.92 -4.23 -1.26 -1.21 115.64 115.07 3dsm s THR 95 Ca 0.01 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3dsm s THR 95 Cb -0.13 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.41 3dsm s THR 95 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3dsm n GLY 96 N -1.64 0.37 3.75 3.99 0.00 -1.05 -4.88 105.19 105.74 3dsm n GLY 96 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3dsm n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dsm s PHE 97 N -2.00 3.57 0.08 1.61 0.08 -1.19 -4.96 117.98 115.17 3dsm s PHE 97 Ca 0.00 1.65 -0.26 0.00 0.12 0.00 0.00 56.93 58.44 3dsm s PHE 97 Cb 0.00 -3.30 -0.16 0.00 -0.57 0.00 0.00 43.02 38.99 3dsm s PHE 97 CO 0.00 -0.63 1.70 1.15 -0.10 0.00 0.00 175.22 177.34 3dsm h THR 98 N 3.30 0.83 -0.20 0.64 2.02 -1.92 -3.40 112.91 114.18 3dsm h THR 98 Ca -0.46 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 3dsm h THR 98 Cb 1.21 0.85 -0.15 0.00 -1.74 0.00 0.00 68.15 68.32 3dsm h THR 98 CO 0.69 0.00 -0.15 -0.24 0.37 0.00 0.00 175.52 176.19 3dsm n SER 99 N -5.19 -1.64 -4.67 4.18 2.88 -1.26 -4.81 113.62 103.11 3dsm n SER 99 Ca -0.09 -1.40 -0.41 0.00 -1.33 0.00 0.00 58.87 55.64 3dsm n SER 99 Cb 0.12 0.86 0.01 0.00 -0.75 0.00 0.00 64.21 64.45 3dsm n SER 99 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dsm n PRO 100 N 2.33 1.70 0.01 -1.46 -0.04 -1.25 -1.77 135.00 134.51 3dsm n PRO 100 Ca 0.10 0.61 -0.00 0.00 -0.04 0.00 0.00 63.50 64.16 3dsm n PRO 100 Cb 0.65 -2.24 -0.00 0.00 -0.04 0.00 0.00 33.50 31.87 3dsm n PRO 100 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dsm n ARG 101 N 0.10 0.01 -4.18 0.54 5.12 -0.43 -4.00 116.66 113.82 3dsm n ARG 101 Ca 0.08 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.89 3dsm n ARG 101 Cb 0.39 -0.18 -0.10 0.00 -1.16 0.00 0.00 32.46 31.41 3dsm n ARG 101 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3dsm s TYR 102 N -1.22 0.94 -0.04 -1.55 1.51 -1.26 -4.33 117.35 111.40 3dsm s TYR 102 Ca -0.01 -0.96 0.04 0.00 -1.01 0.00 0.00 57.07 55.14 3dsm s TYR 102 Cb 0.00 -0.55 -0.00 0.00 -0.11 0.00 0.00 41.96 41.30 3dsm s TYR 102 CO 0.01 -0.19 -0.16 -1.50 -1.11 0.00 0.00 175.55 172.60 3dsm s ILE 103 N -3.66 1.37 -0.10 2.71 2.07 -1.26 -1.78 121.20 120.55 3dsm s ILE 103 Ca 0.15 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 3dsm s ILE 103 Cb 0.06 -1.17 0.02 0.00 0.13 0.00 0.00 42.46 41.49 3dsm s ILE 103 CO -0.03 0.40 -0.09 -2.28 -1.91 0.00 0.00 174.94 171.02 3dsm s HIS 104 N -0.01 1.49 -0.01 3.50 5.65 -0.30 -4.94 115.29 120.67 3dsm s HIS 104 Ca -0.02 -0.69 -0.22 0.00 0.25 0.00 0.00 55.06 54.38 3dsm s HIS 104 Cb -0.11 -1.19 -0.05 0.00 -1.18 0.00 0.00 32.58 30.05 3dsm s HIS 104 CO 0.02 -0.44 0.64 -0.06 -0.65 0.00 0.00 174.74 174.24 3dsm s PHE 105 N 1.38 3.67 -0.14 3.88 0.08 -1.26 -0.49 117.98 125.10 3dsm s PHE 105 Ca -0.01 1.25 0.15 0.00 0.12 0.00 0.00 56.93 58.44 3dsm s PHE 105 Cb -0.14 -2.68 -0.22 0.00 -0.57 0.00 0.00 43.02 39.42 3dsm s PHE 105 CO -0.05 0.29 0.12 1.28 -0.10 0.00 0.00 175.22 176.76 3dsm n LEU 106 N 2.94 0.00 -3.89 -0.37 7.99 0.06 -4.98 117.00 118.74 3dsm n LEU 106 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.92 3dsm n LEU 106 Cb 0.51 0.33 0.02 0.00 -0.11 0.00 0.00 43.42 44.17 3dsm n LEU 106 CO 0.45 0.33 0.81 -0.94 -1.51 0.00 0.00 177.39 176.53 3dsm s SER 107 N -4.84 0.01 0.45 -1.43 1.04 -0.58 -4.95 113.70 103.40 3dsm s SER 107 Ca -0.08 -0.69 0.31 0.00 0.48 0.00 0.00 55.95 55.97 3dsm s SER 107 Cb 0.06 0.51 1.38 0.00 0.10 0.00 0.00 66.02 68.07 3dsm s SER 107 CO 0.68 -1.01 1.92 0.44 0.98 0.00 0.00 173.24 176.26 3dsm h ASP 108 N 2.00 0.00 -0.05 7.02 5.19 -2.01 -2.99 116.42 125.58 3dsm h ASP 108 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3dsm h ASP 108 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3dsm h ASP 108 CO 0.36 0.00 0.00 -0.62 -3.12 0.00 0.00 179.24 175.86 3dsm n GLU 109 N -2.73 0.94 -3.71 3.56 1.02 -1.26 -3.28 120.64 115.18 3dsm n GLU 109 Ca 0.00 -1.10 -0.12 0.00 -0.02 0.00 0.00 57.16 55.92 3dsm n GLU 109 Cb 0.22 -1.07 -0.13 0.00 -0.02 0.00 0.00 31.44 30.44 3dsm n GLU 109 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3dsm s LYS 110 N -0.58 0.22 0.02 3.49 2.20 -1.13 -4.08 119.74 119.88 3dsm s LYS 110 Ca 0.05 0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 56.13 3dsm s LYS 110 Cb 0.03 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.29 3dsm s LYS 110 CO 0.04 -0.19 0.33 0.00 -0.36 0.00 0.00 175.35 175.17 3dsm s ALA 111 N 1.53 -0.78 0.03 3.13 0.00 -0.85 -0.76 121.76 124.06 3dsm s ALA 111 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3dsm s ALA 111 Cb -0.10 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3dsm s ALA 111 CO -0.09 -0.36 0.11 0.71 0.00 0.00 0.00 175.76 176.12 3dsm s TYR 112 N -2.07 3.32 -0.19 0.00 2.02 0.36 -1.22 117.35 119.56 3dsm s TYR 112 Ca -0.08 0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 3dsm s TYR 112 Cb -0.02 -1.72 0.06 0.00 -0.40 0.00 0.00 41.96 39.88 3dsm s TYR 112 CO -0.00 0.56 0.02 0.08 -1.57 0.00 0.00 175.55 174.64 3dsm s VAL 113 N -1.30 0.67 0.81 0.71 1.01 0.88 -1.16 120.40 122.02 3dsm s VAL 113 Ca 0.27 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3dsm s VAL 113 Cb -0.12 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.21 3dsm s VAL 113 CO 0.19 -0.17 1.09 0.42 0.00 0.00 0.00 175.10 176.63 3dsm s THR 114 N 1.79 3.07 0.08 3.92 -4.23 -0.73 -1.42 115.64 118.12 3dsm s THR 114 Ca -0.01 0.35 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 3dsm s THR 114 Cb -0.17 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 3dsm s THR 114 CO -0.08 -0.45 0.16 -1.10 -0.54 0.00 0.00 174.62 172.61 3dsm s GLN 115 N -5.10 0.80 0.11 3.99 -1.52 -1.21 -1.32 119.66 115.41 3dsm s GLN 115 Ca 0.61 -0.98 0.09 0.00 -1.95 0.00 0.00 55.36 53.13 3dsm s GLN 115 Cb -0.15 0.32 -0.04 0.00 -0.22 0.00 0.00 33.01 32.92 3dsm s GLN 115 CO 0.55 -0.24 -0.17 -1.50 -0.25 0.00 0.00 175.29 173.68 3dsm s ILE 116 N -3.79 2.93 -0.85 1.08 2.07 -0.73 -1.29 121.20 120.62 3dsm s ILE 116 Ca 0.05 -1.46 -0.01 0.00 -1.41 0.00 0.00 60.65 57.82 3dsm s ILE 116 Cb 0.05 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.29 3dsm s ILE 116 CO -0.10 0.11 0.19 0.79 -1.91 0.00 0.00 174.94 174.01 3dsm n TRP 117 N 0.80 -0.82 -3.56 3.50 5.03 -0.32 -4.19 117.44 117.89 3dsm n TRP 117 Ca -0.15 0.16 -0.16 0.00 3.03 0.00 0.00 57.50 60.38 3dsm n TRP 117 Cb 0.53 -2.71 -0.06 0.00 -1.03 0.00 0.00 31.31 28.03 3dsm n TRP 117 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 3dsm s ASP 118 N -2.72 -0.69 0.00 -0.99 -1.08 -1.24 -4.70 116.67 105.25 3dsm s ASP 118 Ca 0.09 1.00 0.23 0.00 -0.52 0.00 0.00 52.55 53.35 3dsm s ASP 118 Cb -0.04 0.89 0.45 0.00 -1.46 0.00 0.00 42.92 42.76 3dsm s ASP 118 CO 0.12 -0.47 1.41 0.00 0.52 0.00 0.00 175.17 176.75 3dsm n TYR 119 N 1.59 0.49 -4.35 -5.34 0.18 -1.22 -3.20 117.16 105.32 3dsm n TYR 119 Ca -0.17 -0.25 -0.30 0.00 1.88 0.00 0.00 57.90 59.06 3dsm n TYR 119 Cb 0.56 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.42 3dsm n TYR 119 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3dsm s ARG 120 N -1.51 2.14 -0.26 -3.48 0.52 -1.26 -0.61 118.95 114.50 3dsm s ARG 120 Ca 0.39 -0.99 -0.07 0.00 -0.52 0.00 0.00 55.73 54.54 3dsm s ARG 120 Cb 0.23 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 3dsm s ARG 120 CO 0.32 0.52 0.07 0.42 0.02 0.00 0.00 175.30 176.66 3dsm s ILE 121 N -1.12 4.26 0.11 1.52 1.01 0.13 -4.41 121.20 122.70 3dsm s ILE 121 Ca 0.19 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.27 3dsm s ILE 121 Cb -0.11 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 3dsm s ILE 121 CO 0.11 0.29 1.27 -0.36 0.00 0.00 0.00 174.94 176.25 3dsm s PHE 122 N 1.60 3.36 -0.14 3.97 0.40 -0.51 -0.75 117.98 125.90 3dsm s PHE 122 Ca 0.06 1.20 -0.05 0.00 -0.60 0.00 0.00 56.93 57.54 3dsm s PHE 122 Cb -0.15 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 39.82 3dsm s PHE 122 CO 0.03 -1.68 0.04 0.42 0.70 0.00 0.00 175.22 174.74 3dsm s ILE 123 N 0.80 4.61 0.29 0.64 1.01 -0.21 -0.08 121.20 128.26 3dsm s ILE 123 Ca 0.59 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 61.15 3dsm s ILE 123 Cb -0.33 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 3dsm s ILE 123 CO 0.32 0.53 0.10 0.27 0.00 0.00 0.00 174.94 176.15 3dsm s ILE 124 N -0.18 0.69 -0.39 2.92 -4.36 -0.36 -0.43 121.20 119.10 3dsm s ILE 124 Ca 0.06 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.49 3dsm s ILE 124 Cb -0.12 -2.65 0.11 0.00 1.25 0.00 0.00 42.46 41.05 3dsm s ILE 124 CO 0.02 0.00 0.11 0.21 0.24 0.00 0.00 174.94 175.51 3dsm s ASN 125 N -3.38 4.60 0.46 4.36 3.84 -0.36 -2.00 114.94 122.46 3dsm s ASN 125 Ca 0.37 -2.36 0.22 0.00 0.21 0.00 0.00 52.86 51.30 3dsm s ASN 125 Cb 0.07 -1.59 1.22 0.00 -0.55 0.00 0.00 41.25 40.41 3dsm s ASN 125 CO 0.15 -0.34 1.86 -0.65 -2.79 0.00 0.00 177.10 175.32 3dsm h PRO 126 N 7.33 0.26 -0.09 0.43 0.11 -1.75 0.58 132.00 138.87 3dsm h PRO 126 Ca -0.05 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.89 3dsm h PRO 126 Cb 0.99 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3dsm h PRO 126 CO 0.56 0.17 -0.60 -0.22 -0.21 0.00 0.00 178.00 177.70 3dsm h LYS 127 N 0.26 0.29 -0.01 1.05 3.64 -1.87 -3.18 116.57 116.75 3dsm h LYS 127 Ca 0.46 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3dsm h LYS 127 Cb 1.38 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3dsm h LYS 127 CO -0.13 0.81 -0.49 0.25 -2.27 0.00 0.00 179.45 177.61 3dsm n THR 128 N -3.89 0.00 -3.61 1.00 -2.24 -0.73 -5.00 114.28 99.82 3dsm n THR 128 Ca -0.03 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 3dsm n THR 128 Cb 0.62 1.24 0.05 0.00 -2.10 0.00 0.00 70.33 70.14 3dsm n THR 128 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3dsm n TYR 129 N -0.09 -2.01 -3.85 4.78 4.01 0.12 -5.01 117.16 115.11 3dsm n TYR 129 Ca 0.09 0.87 -0.09 0.00 -0.16 0.00 0.00 57.90 58.61 3dsm n TYR 129 Cb 0.46 -4.62 -0.08 0.00 -0.31 0.00 0.00 39.34 34.79 3dsm n TYR 129 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3dsm s GLU 130 N -5.78 0.80 -0.09 -0.72 -1.05 -1.20 -4.70 118.70 105.96 3dsm s GLU 130 Ca 0.01 -0.87 -0.26 0.00 -0.15 0.00 0.00 54.97 53.70 3dsm s GLU 130 Cb -0.00 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 3dsm s GLU 130 CO 0.78 -0.25 0.84 0.42 0.95 0.00 0.00 175.26 178.00 3dsm s ILE 131 N -3.49 4.92 -0.16 1.83 1.01 -1.26 -1.22 121.20 122.82 3dsm s ILE 131 Ca 0.02 1.70 0.16 0.00 0.00 0.00 0.00 60.65 62.52 3dsm s ILE 131 Cb 0.03 -4.16 -0.23 0.00 0.01 0.00 0.00 42.46 38.12 3dsm s ILE 131 CO -0.09 0.13 0.40 0.35 0.00 0.00 0.00 174.94 175.73 3dsm n THR 132 N 4.23 0.00 -3.82 2.92 -2.24 0.43 -4.94 114.28 110.86 3dsm n THR 132 Ca 0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3dsm n THR 132 Cb 0.50 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3dsm n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dsm n GLY 133 N 1.56 0.66 3.04 3.38 0.00 -1.01 -5.00 105.19 107.81 3dsm n GLY 133 Ca -0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 3dsm n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dsm s TYR 134 N -3.23 0.23 -0.27 1.61 2.02 -1.26 -1.05 117.35 115.40 3dsm s TYR 134 Ca 0.02 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 3dsm s TYR 134 Cb -0.00 -0.17 0.05 0.00 -0.40 0.00 0.00 41.96 41.44 3dsm s TYR 134 CO -0.00 -0.26 -0.07 0.42 -1.57 0.00 0.00 175.55 174.07 3dsm s ILE 135 N -1.89 2.50 -0.14 2.71 1.01 0.07 -4.92 121.20 120.54 3dsm s ILE 135 Ca -0.12 -1.52 -0.29 0.00 0.00 0.00 0.00 60.65 58.72 3dsm s ILE 135 Cb -0.06 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 3dsm s ILE 135 CO -0.02 -0.05 1.01 -1.61 0.00 0.00 0.00 174.94 174.27 3dsm s GLU 136 N 1.17 4.37 -0.00 2.79 2.02 -1.26 -0.69 118.70 127.09 3dsm s GLU 136 Ca -0.07 1.37 -0.22 0.00 0.02 0.00 0.00 54.97 56.07 3dsm s GLU 136 Cb -0.20 -3.57 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 3dsm s GLU 136 CO -0.03 -0.40 0.65 0.00 0.02 0.00 0.00 175.26 175.49 3dsm s PRO 138 N 0.01 3.60 -0.82 0.00 0.04 -1.26 -4.89 135.00 131.67 3dsm s PRO 138 Ca 0.34 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 3dsm s PRO 138 Cb -0.19 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3dsm s PRO 138 CO 0.19 -0.64 0.72 -0.25 0.04 0.00 0.00 177.00 177.06 3dsm n ASP 139 N -0.94 -7.06 0.00 6.66 10.43 -1.26 -5.20 116.55 119.18 3dsm n ASP 139 Ca 0.10 -0.35 0.00 0.00 2.57 0.00 0.00 54.79 57.10 3dsm n ASP 139 Cb 0.50 -4.66 0.00 0.00 1.84 0.00 0.00 41.12 38.80 3dsm n ASP 139 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3dsm n ASP 141 N -2.16 0.00 0.00 -2.24 5.68 -1.26 -5.12 116.55 111.45 3dsm n ASP 141 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 3dsm n ASP 141 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 3dsm n ASP 141 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dsm n GLU 143 N 0.00 0.00 -0.36 0.11 4.71 -1.26 -0.80 120.64 123.04 3dsm n GLU 143 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 3dsm n GLU 143 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 3dsm n GLU 143 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3dsm n SER 144 N 0.00 0.50 -4.73 1.62 3.41 -1.26 -4.88 113.62 108.27 3dsm n SER 144 Ca 0.00 -2.11 -0.34 0.00 -0.26 0.00 0.00 58.87 56.17 3dsm n SER 144 Cb 0.00 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 63.82 3dsm n SER 144 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3dsm s GLY 145 N -1.26 2.24 -0.30 5.00 0.00 0.02 -4.60 107.32 108.42 3dsm s GLY 145 Ca 0.06 0.76 -0.16 0.00 0.00 0.00 0.00 44.72 45.38 3dsm s GLY 145 CO 0.01 1.15 1.05 -0.45 0.00 0.00 0.00 173.10 174.85 3dsm s SER 146 N -2.25 -0.47 -0.01 1.64 0.15 -1.19 -1.17 113.70 110.41 3dsm s SER 146 Ca 0.72 0.66 0.05 0.00 0.70 0.00 0.00 55.95 58.07 3dsm s SER 146 Cb -0.26 1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 65.51 3dsm s SER 146 CO 0.45 -0.09 -0.15 0.42 1.20 0.00 0.00 173.24 175.06 3dsm s THR 147 N 2.17 1.22 0.00 6.45 -4.23 -0.41 -3.77 115.64 117.06 3dsm s THR 147 Ca -0.03 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3dsm s THR 147 Cb -0.05 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.77 3dsm s THR 147 CO -0.17 0.31 0.00 1.21 -0.54 0.00 0.00 174.62 175.44 3dsm n GLU 148 N 2.61 0.00 -0.27 3.99 4.07 0.84 -3.34 120.64 128.55 3dsm n GLU 148 Ca -0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 3dsm n GLU 148 Cb 0.55 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 3dsm n GLU 148 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3dsm n GLN 149 N 0.00 0.54 -3.63 5.31 6.02 -1.26 -4.30 117.38 120.06 3dsm n GLN 149 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 3dsm n GLN 149 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 3dsm n GLN 149 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3dsm s VAL 151 N -0.19 0.00 -0.09 5.09 -7.23 -0.35 -2.11 120.40 115.52 3dsm s VAL 151 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 3dsm s VAL 151 Cb 0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 3dsm s VAL 151 CO 0.00 0.00 0.11 -1.58 -0.31 0.00 0.00 175.10 173.32 3dsm s GLN 152 N -0.42 3.30 -0.35 4.82 0.74 -1.26 -0.52 119.66 125.97 3dsm s GLN 152 Ca 0.05 -0.25 -0.00 0.00 0.05 0.00 0.00 55.36 55.20 3dsm s GLN 152 Cb -0.03 -3.05 0.13 0.00 1.10 0.00 0.00 33.01 31.15 3dsm s GLN 152 CO -0.08 0.74 0.19 -0.47 -0.55 0.00 0.00 175.29 175.12 3dsm s TYR 153 N -1.05 1.06 0.00 1.67 5.04 0.94 -4.97 117.35 120.03 3dsm s TYR 153 Ca 0.17 -1.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.12 3dsm s TYR 153 Cb -0.12 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 40.96 3dsm s TYR 153 CO 0.07 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 173.86 3dsm n GLY 154 N 4.25 2.92 0.14 8.97 0.00 -1.26 -1.01 105.19 119.21 3dsm n GLY 154 Ca 0.06 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.01 3dsm n GLY 154 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dsm n LYS 155 N 13.52 1.09 -4.01 1.61 2.85 -1.26 -4.86 118.16 127.11 3dsm n LYS 155 Ca 0.00 -0.28 -0.24 0.00 -1.05 0.00 0.00 58.31 56.74 3dsm n LYS 155 Cb 0.00 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 3dsm n LYS 155 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3dsm s TYR 156 N -2.10 3.35 -0.06 5.58 2.02 -0.18 -1.12 117.35 124.83 3dsm s TYR 156 Ca 0.41 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 3dsm s TYR 156 Cb 0.21 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 3dsm s TYR 156 CO 0.38 0.50 -0.07 0.08 -1.57 0.00 0.00 175.55 174.87 3dsm s VAL 157 N -1.86 0.77 -0.06 0.71 1.01 0.14 -0.04 120.40 121.07 3dsm s VAL 157 Ca 0.33 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 3dsm s VAL 157 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3dsm s VAL 157 CO 0.27 0.28 0.10 -0.31 0.00 0.00 0.00 175.10 175.44 3dsm s TYR 158 N 1.02 3.40 -0.02 5.22 2.02 0.32 -0.05 117.35 129.27 3dsm s TYR 158 Ca -0.09 0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.93 3dsm s TYR 158 Cb -0.14 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 3dsm s TYR 158 CO -0.00 0.61 0.04 0.54 -1.57 0.00 0.00 175.55 175.16 3dsm s VAL 159 N -1.11 -0.02 0.09 0.71 0.11 -0.47 -1.21 120.40 118.50 3dsm s VAL 159 Ca 0.19 0.06 -0.15 0.00 -2.93 0.00 0.00 61.98 59.15 3dsm s VAL 159 Cb -0.12 -0.07 -0.06 0.00 -1.53 0.00 0.00 36.38 34.60 3dsm s VAL 159 CO 0.09 0.02 0.50 0.54 -3.33 0.00 0.00 175.10 172.93 3dsm s ASN 160 N 0.31 6.84 -0.37 3.54 4.22 -0.90 -0.47 114.94 128.12 3dsm s ASN 160 Ca -0.02 1.05 -0.09 0.00 -2.14 0.00 0.00 52.86 51.65 3dsm s ASN 160 Cb -0.04 -2.28 0.04 0.00 1.28 0.00 0.00 41.25 40.26 3dsm s ASN 160 CO -0.01 0.20 0.18 0.00 -2.04 0.00 0.00 177.10 175.44 3dsm n TRP 162 N 4.91 0.00 -1.58 0.00 -0.00 -1.22 -3.85 117.44 115.70 3dsm n TRP 162 Ca -0.12 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 56.94 3dsm n TRP 162 Cb 0.45 -0.12 -0.04 0.00 -0.00 0.00 0.00 31.31 31.60 3dsm n TRP 162 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3dsm n SER 163 N -1.34 3.13 -3.16 5.87 2.88 -1.26 -2.43 113.62 117.30 3dsm n SER 163 Ca 0.00 0.24 -0.23 0.00 -1.33 0.00 0.00 58.87 57.55 3dsm n SER 163 Cb 0.00 -1.52 0.04 0.00 -0.75 0.00 0.00 64.21 61.98 3dsm n SER 163 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3dsm n TYR 164 N 11.40 -2.08 -4.26 0.66 0.53 -1.26 -4.40 117.16 117.75 3dsm n TYR 164 Ca 0.31 0.59 -0.15 0.00 -1.02 0.00 0.00 57.90 57.64 3dsm n TYR 164 Cb 0.42 -4.38 -0.10 0.00 -1.03 0.00 0.00 39.34 34.24 3dsm n TYR 164 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 3dsm s GLN 165 N -5.85 1.33 -0.28 -0.72 -1.52 -1.02 -4.94 119.66 106.66 3dsm s GLN 165 Ca 0.36 -1.71 0.17 0.00 -1.95 0.00 0.00 55.36 52.24 3dsm s GLN 165 Cb -0.17 -0.00 0.44 0.00 -0.22 0.00 0.00 33.01 33.06 3dsm s GLN 165 CO 0.45 -0.35 1.32 0.27 -0.25 0.00 0.00 175.29 176.74 3dsm n ASN 166 N -0.40 -0.05 -3.96 5.90 2.04 -1.26 0.00 115.26 117.53 3dsm n ASN 166 Ca 0.01 -2.12 -0.09 0.00 -0.44 0.00 0.00 54.58 51.94 3dsm n ASN 166 Cb 0.66 0.14 -0.06 0.00 -2.53 0.00 0.00 39.78 37.99 3dsm n ASN 166 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3dsm s ARG 167 N -1.58 1.38 -0.09 -3.83 1.70 -1.26 -0.95 118.95 114.33 3dsm s ARG 167 Ca 0.17 -1.19 0.01 0.00 -0.47 0.00 0.00 55.73 54.26 3dsm s ARG 167 Cb 0.37 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 35.17 3dsm s ARG 167 CO -0.09 -0.55 -0.11 0.42 -1.08 0.00 0.00 175.30 173.89 3dsm s ILE 168 N -3.99 3.32 0.10 4.99 -1.09 -0.15 -1.46 121.20 122.93 3dsm s ILE 168 Ca 0.20 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 3dsm s ILE 168 Cb 0.01 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 3dsm s ILE 168 CO 0.04 0.57 0.05 -0.76 -1.23 0.00 0.00 174.94 173.61 3dsm s LEU 169 N -0.37 3.65 -0.20 2.97 1.43 0.38 -1.44 118.68 125.10 3dsm s LEU 169 Ca 0.04 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3dsm s LEU 169 Cb -0.12 -2.33 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 3dsm s LEU 169 CO 0.02 0.15 -0.10 -0.75 0.23 0.00 0.00 176.35 175.90 3dsm s LYS 170 N -2.51 3.26 -0.08 1.70 2.20 0.02 -1.37 119.74 122.96 3dsm s LYS 170 Ca 0.28 -0.70 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 3dsm s LYS 170 Cb -0.11 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 3dsm s LYS 170 CO 0.21 -0.15 -0.14 0.42 -0.36 0.00 0.00 175.35 175.33 3dsm s ILE 171 N 1.27 3.04 -0.43 5.43 1.01 0.93 -0.47 121.20 131.98 3dsm s ILE 171 Ca 0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 3dsm s ILE 171 Cb -0.14 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3dsm s ILE 171 CO -0.05 0.56 0.55 -0.62 0.00 0.00 0.00 174.94 175.38 3dsm s ASP 172 N -0.27 6.26 0.47 3.58 -1.08 -0.26 -0.68 116.67 124.69 3dsm s ASP 172 Ca 0.02 -0.51 0.32 0.00 -0.52 0.00 0.00 52.55 51.86 3dsm s ASP 172 Cb -0.13 -2.28 1.47 0.00 -1.46 0.00 0.00 42.92 40.53 3dsm s ASP 172 CO 0.03 -0.69 1.95 0.71 0.52 0.00 0.00 175.17 177.69 3dsm h THR 173 N 5.81 0.00 0.00 1.71 1.35 -1.44 0.67 112.91 121.01 3dsm h THR 173 Ca -0.26 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 3dsm h THR 173 Cb 1.10 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3dsm h THR 173 CO 0.85 0.00 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.74 3dsm h GLU 174 N 0.00 0.00 0.00 4.72 5.08 -1.92 -3.33 114.58 119.13 3dsm h GLU 174 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dsm h GLU 174 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3dsm h GLU 174 CO 0.00 0.05 0.00 0.25 -1.00 0.00 0.00 179.01 178.31 3dsm n THR 175 N -3.12 0.00 -3.53 1.13 -2.24 -0.72 -5.02 114.28 100.78 3dsm n THR 175 Ca 0.03 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 3dsm n THR 175 Cb 0.51 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.81 3dsm n THR 175 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dsm n ASP 176 N -0.87 -6.13 -4.13 3.42 8.00 0.23 -5.00 116.55 112.06 3dsm n ASP 176 Ca 0.00 -0.52 -0.15 0.00 0.71 0.00 0.00 54.79 54.82 3dsm n ASP 176 Cb 0.00 -4.85 -0.11 0.00 -0.02 0.00 0.00 41.12 36.13 3dsm n ASP 176 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3dsm s LYS 177 N -6.25 0.71 -0.02 -1.24 1.02 -1.18 -4.70 119.74 108.08 3dsm s LYS 177 Ca 0.55 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 3dsm s LYS 177 Cb -0.25 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 3dsm s LYS 177 CO 0.68 0.11 1.14 0.08 -0.92 0.00 0.00 175.35 176.44 3dsm s VAL 178 N -1.59 4.35 -0.32 3.17 1.01 -1.26 -1.10 120.40 124.67 3dsm s VAL 178 Ca -0.03 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.68 3dsm s VAL 178 Cb -0.08 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 3dsm s VAL 178 CO 0.01 0.05 0.28 1.33 0.00 0.00 0.00 175.10 176.78 3dsm n VAL 179 N 4.31 0.00 -3.57 2.92 0.24 0.37 -4.95 118.33 117.66 3dsm n VAL 179 Ca 0.09 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.34 61.95 3dsm n VAL 179 Cb 0.47 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 3dsm n VAL 179 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dsm s ASP 180 N -1.50 -0.34 0.14 -1.34 3.68 -1.20 -5.01 116.67 111.09 3dsm s ASP 180 Ca 0.03 -0.14 -0.10 0.00 2.13 0.00 0.00 52.55 54.47 3dsm s ASP 180 Cb 0.05 0.46 0.00 0.00 -1.45 0.00 0.00 42.92 41.98 3dsm s ASP 180 CO 0.24 -0.79 0.28 -1.83 0.13 0.00 0.00 175.17 173.20 3dsm s GLU 181 N -3.31 1.05 -0.06 4.34 -1.05 -1.26 -0.80 118.70 117.62 3dsm s GLU 181 Ca 0.07 -1.03 -0.02 0.00 -0.15 0.00 0.00 54.97 53.84 3dsm s GLU 181 Cb -0.01 0.39 0.04 0.00 -0.44 0.00 0.00 34.13 34.10 3dsm s GLU 181 CO -0.06 -0.38 0.11 -1.17 0.95 0.00 0.00 175.26 174.71 3dsm s LEU 182 N -2.91 0.36 -0.17 1.83 2.96 -0.52 -4.98 118.68 115.25 3dsm s LEU 182 Ca 0.11 0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 54.08 3dsm s LEU 182 Cb 0.03 0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.82 3dsm s LEU 182 CO -0.05 -0.20 0.35 -0.89 -1.32 0.00 0.00 176.35 174.24 3dsm s THR 183 N 1.79 5.25 0.00 3.68 2.01 -1.26 -0.98 115.64 126.13 3dsm s THR 183 Ca -0.01 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.64 3dsm s THR 183 Cb -0.12 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3dsm s THR 183 CO -0.05 0.32 0.00 2.30 -0.69 0.00 0.00 174.62 176.51 3dsm n ILE 184 N 3.92 0.00 -0.65 1.82 -5.35 -0.12 -5.00 119.36 113.98 3dsm n ILE 184 Ca -0.10 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.07 3dsm n ILE 184 Cb 0.52 0.00 0.18 0.00 -1.74 0.00 0.00 39.64 38.60 3dsm n ILE 184 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dsm n GLY 185 N 1.68 -1.28 3.75 3.28 0.00 -1.26 -4.77 105.19 106.58 3dsm n GLY 185 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 3dsm n GLY 185 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dsm s ILE 186 N -2.50 3.33 -0.80 -0.61 -4.36 -1.26 -4.34 121.20 110.66 3dsm s ILE 186 Ca 0.64 1.19 -0.01 0.00 -0.26 0.00 0.00 60.65 62.21 3dsm s ILE 186 Cb -0.22 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.72 3dsm s ILE 186 CO 0.62 0.22 0.71 0.00 0.24 0.00 0.00 174.94 176.74 3dsm n GLN 187 N 1.98 -1.43 -2.19 0.37 6.02 0.10 -3.79 117.38 118.44 3dsm n GLN 187 Ca 0.03 1.30 -0.41 0.00 -0.01 0.00 0.00 57.00 57.91 3dsm n GLN 187 Cb 0.44 -5.22 -0.03 0.00 1.02 0.00 0.00 30.24 26.45 3dsm n GLN 187 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3dsm s PRO 188 N -3.51 4.38 -0.12 -1.09 0.04 -1.25 -2.38 135.00 131.07 3dsm s PRO 188 Ca 0.06 2.09 0.12 0.00 0.04 0.00 0.00 61.00 63.31 3dsm s PRO 188 Cb -0.01 -3.17 -0.24 0.00 0.04 0.00 0.00 34.50 31.12 3dsm s PRO 188 CO 0.77 -0.24 0.36 0.25 0.04 0.00 0.00 177.00 178.18 3dsm n THR 189 N 2.30 1.54 -4.03 1.26 -2.24 0.26 -3.44 114.28 109.93 3dsm n THR 189 Ca 0.05 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 3dsm n THR 189 Cb 0.42 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 3dsm n THR 189 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3dsm s SER 190 N -6.00 0.35 -0.22 3.42 1.04 -1.26 -4.69 113.70 106.34 3dsm s SER 190 Ca -0.10 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 54.99 3dsm s SER 190 Cb 0.07 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.89 3dsm s SER 190 CO 0.81 -1.24 0.54 -0.22 0.98 0.00 0.00 173.24 174.11 3dsm s LEU 191 N -3.12 -0.47 0.00 2.42 2.96 -1.26 -4.04 118.68 115.18 3dsm s LEU 191 Ca 0.26 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 3dsm s LEU 191 Cb -0.01 1.84 0.00 0.00 0.50 0.00 0.00 46.19 48.52 3dsm s LEU 191 CO 0.14 -0.21 0.00 1.33 -1.32 0.00 0.00 176.35 176.29 3dsm n VAL 192 N 4.19 0.00 -4.20 1.68 0.24 -0.76 -4.76 118.33 114.72 3dsm n VAL 192 Ca -0.21 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.92 3dsm n VAL 192 Cb 0.57 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 3dsm n VAL 192 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3dsm s ASP 194 N 1.00 1.27 0.00 -1.34 1.47 0.30 -0.17 116.67 119.19 3dsm s ASP 194 Ca 0.00 -1.62 0.13 0.00 1.18 0.00 0.00 52.55 52.23 3dsm s ASP 194 Cb 0.00 0.58 0.60 0.00 -0.34 0.00 0.00 42.92 43.75 3dsm s ASP 194 CO 0.00 -1.13 1.35 2.29 0.68 0.00 0.00 175.17 178.36 3dsm n LYS 195 N -0.57 0.11 -0.47 2.11 2.85 -0.51 -1.91 118.16 119.77 3dsm n LYS 195 Ca 0.05 0.22 0.09 0.00 -1.05 0.00 0.00 58.31 57.62 3dsm n LYS 195 Cb 0.62 -1.50 0.31 0.00 -0.65 0.00 0.00 35.03 33.81 3dsm n LYS 195 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dsm n TYR 196 N -1.37 1.14 -3.43 5.58 4.02 -1.26 -4.93 117.16 116.90 3dsm n TYR 196 Ca 0.05 -0.58 -0.21 0.00 -0.01 0.00 0.00 57.90 57.14 3dsm n TYR 196 Cb 0.12 -0.15 0.07 0.00 -0.02 0.00 0.00 39.34 39.36 3dsm n TYR 196 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dsm n ASN 197 N 1.04 -5.89 -1.53 7.72 5.03 -0.80 -4.95 115.26 115.89 3dsm n ASN 197 Ca 0.23 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 55.22 3dsm n ASN 197 Cb 0.74 -4.52 0.00 0.00 -1.02 0.00 0.00 39.78 34.99 3dsm n ASN 197 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3dsm n LYS 198 N -4.44 2.22 -3.64 3.52 4.01 -1.26 -2.04 118.16 116.53 3dsm n LYS 198 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 3dsm n LYS 198 Cb 0.56 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.01 3dsm n LYS 198 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3dsm s TRP 200 N -0.07 -0.51 -0.03 2.13 0.52 0.76 -0.54 118.94 121.20 3dsm s TRP 200 Ca 0.00 1.20 -0.08 0.00 0.02 0.00 0.00 56.10 57.25 3dsm s TRP 200 Cb 0.00 0.36 0.01 0.00 -1.15 0.00 0.00 33.47 32.69 3dsm s TRP 200 CO 0.00 -0.25 0.17 -0.08 0.02 0.00 0.00 176.95 176.82 3dsm s THR 201 N 0.42 0.05 -0.05 2.01 -1.32 -0.90 -1.83 115.64 114.03 3dsm s THR 201 Ca 0.01 -0.42 0.03 0.00 -1.21 0.00 0.00 61.69 60.10 3dsm s THR 201 Cb -0.05 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.56 3dsm s THR 201 CO -0.08 -0.23 -0.11 -0.51 -2.21 0.00 0.00 174.62 171.48 3dsm s ILE 202 N -0.83 1.02 0.42 5.08 2.07 -1.26 -0.31 121.20 127.39 3dsm s ILE 202 Ca -0.09 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 58.68 3dsm s ILE 202 Cb -0.05 -0.92 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 3dsm s ILE 202 CO 0.01 0.32 0.65 0.42 -1.91 0.00 0.00 174.94 174.44 3dsm s THR 203 N 0.40 4.72 -2.28 4.00 -4.23 -0.73 -0.57 115.64 116.94 3dsm s THR 203 Ca -0.08 -0.28 0.20 0.00 -1.18 0.00 0.00 61.69 60.34 3dsm s THR 203 Cb -0.12 -3.75 0.11 0.00 1.34 0.00 0.00 72.50 70.08 3dsm s THR 203 CO 0.02 -0.57 1.08 -0.90 -0.54 0.00 0.00 174.62 173.71 3dsm n ASP 204 N -2.01 2.43 -0.88 3.99 3.85 -1.00 -4.27 116.55 118.65 3dsm n ASP 204 Ca -0.02 -1.71 -0.11 0.00 -0.71 0.00 0.00 54.79 52.24 3dsm n ASP 204 Cb 0.56 0.13 -0.05 0.00 -1.35 0.00 0.00 41.12 40.41 3dsm n ASP 204 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dsm n GLY 205 N 1.16 1.22 7.00 6.12 0.00 -1.25 -4.36 105.19 115.08 3dsm n GLY 205 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3dsm n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dsm n GLY 206 N -0.97 1.55 3.35 -0.02 0.00 -1.26 -1.81 105.19 106.02 3dsm n GLY 206 Ca -0.11 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 3dsm n GLY 206 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dsm s TYR 207 N 0.00 -0.30 0.17 1.61 -0.85 -1.20 -4.92 117.35 111.85 3dsm s TYR 207 Ca 0.00 0.12 -0.31 0.00 -0.52 0.00 0.00 57.07 56.35 3dsm s TYR 207 Cb 0.00 0.31 -0.10 0.00 0.38 0.00 0.00 41.96 42.55 3dsm s TYR 207 CO 0.00 -0.69 1.53 -2.00 -1.52 0.00 0.00 175.55 172.87 3dsm s GLU 208 N -3.32 4.23 0.00 -3.49 2.12 -1.26 -1.71 118.70 115.27 3dsm s GLU 208 Ca -0.00 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.65 3dsm s GLU 208 Cb 0.01 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3dsm s GLU 208 CO -0.09 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 3dsm n GLY 209 N 3.53 0.67 3.73 -1.50 0.00 -1.26 -5.03 105.19 105.34 3dsm n GLY 209 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3dsm n GLY 209 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dsm s SER 210 N -2.08 7.19 0.41 1.61 0.15 -0.70 -4.92 113.70 115.36 3dsm s SER 210 Ca 0.00 2.12 0.29 0.00 0.70 0.00 0.00 55.95 59.06 3dsm s SER 210 Cb 0.00 -2.60 1.23 0.00 -1.71 0.00 0.00 66.02 62.94 3dsm s SER 210 CO 0.00 -0.30 1.86 1.55 1.20 0.00 0.00 173.24 177.56 3dsm h PRO 211 N 5.36 0.00 0.02 5.44 0.13 -1.96 -3.19 132.00 137.79 3dsm h PRO 211 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 3dsm h PRO 211 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3dsm h PRO 211 CO 0.74 0.00 -1.75 0.98 -0.23 0.00 0.00 178.00 177.74 3dsm n TYR 212 N -2.66 0.73 0.00 1.56 9.36 -1.26 -5.09 117.16 119.80 3dsm n TYR 212 Ca 0.01 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.51 3dsm n TYR 212 Cb 0.25 -1.08 0.00 0.00 -0.63 0.00 0.00 39.34 37.88 3dsm n TYR 212 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dsm n GLY 213 N 1.49 2.10 2.91 2.98 0.00 -1.21 -5.13 105.19 108.34 3dsm n GLY 213 Ca -0.39 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 3dsm n GLY 213 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dsm s TYR 214 N -2.00 -0.45 0.24 1.61 6.04 -1.26 -3.24 117.35 118.29 3dsm s TYR 214 Ca 0.00 0.72 -0.13 0.00 0.04 0.00 0.00 57.07 57.70 3dsm s TYR 214 Cb 0.00 -0.12 -0.00 0.00 -1.04 0.00 0.00 41.96 40.79 3dsm s TYR 214 CO 0.00 -0.50 0.47 -1.83 -1.54 0.00 0.00 175.55 172.14 3dsm s GLU 215 N 2.42 1.52 0.01 4.97 -1.05 -0.75 -5.01 118.70 120.81 3dsm s GLU 215 Ca 0.05 -1.24 -0.30 0.00 -0.15 0.00 0.00 54.97 53.32 3dsm s GLU 215 Cb -0.14 0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 33.95 3dsm s GLU 215 CO -0.11 -0.63 1.50 0.00 0.95 0.00 0.00 175.26 176.97 3dsm s ALA 216 N -4.01 3.62 0.87 -0.84 0.00 -1.26 -4.43 121.76 115.71 3dsm s ALA 216 Ca 0.22 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3dsm s ALA 216 Cb -0.00 -3.64 0.12 0.00 0.00 0.00 0.00 23.12 19.59 3dsm s ALA 216 CO 0.08 -1.02 1.09 -1.25 0.00 0.00 0.00 175.76 174.67 3dsm s PRO 217 N 2.64 1.44 0.05 0.00 0.04 -1.26 -4.73 135.00 133.19 3dsm s PRO 217 Ca 0.67 0.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 3dsm s PRO 217 Cb -0.34 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 3dsm s PRO 217 CO 0.28 -2.12 0.17 -1.12 0.04 0.00 0.00 177.00 174.25 3dsm s SER 218 N -3.44 0.10 -0.18 6.66 0.01 -1.26 0.08 113.70 115.67 3dsm s SER 218 Ca 0.63 -0.50 -0.06 0.00 1.31 0.00 0.00 55.95 57.32 3dsm s SER 218 Cb -0.18 0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 3dsm s SER 218 CO 0.57 -0.60 0.04 -0.22 0.41 0.00 0.00 173.24 173.43 3dsm s LEU 219 N -2.36 3.65 0.02 2.44 2.96 0.65 -1.78 118.68 124.26 3dsm s LEU 219 Ca -0.02 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3dsm s LEU 219 Cb 0.01 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3dsm s LEU 219 CO -0.06 0.16 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.61 3dsm s TYR 220 N 0.44 2.49 -0.24 5.38 2.02 0.58 -0.63 117.35 127.39 3dsm s TYR 220 Ca 0.01 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3dsm s TYR 220 Cb -0.13 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3dsm s TYR 220 CO 0.01 0.18 -0.12 0.50 -1.57 0.00 0.00 175.55 174.55 3dsm s ARG 221 N -1.20 2.61 -0.08 -0.62 3.52 -0.46 -2.13 118.95 120.59 3dsm s ARG 221 Ca 0.13 -1.11 0.05 0.00 -0.13 0.00 0.00 55.73 54.67 3dsm s ARG 221 Cb -0.10 -2.84 -0.00 0.00 -1.56 0.00 0.00 34.95 30.45 3dsm s ARG 221 CO 0.03 -0.43 -0.24 0.42 -0.81 0.00 0.00 175.30 174.27 3dsm s ILE 222 N 1.22 2.10 0.03 4.11 1.01 -1.26 -0.26 121.20 128.14 3dsm s ILE 222 Ca -0.03 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 3dsm s ILE 222 Cb -0.17 -1.78 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3dsm s ILE 222 CO -0.07 0.56 1.35 -0.62 0.00 0.00 0.00 174.94 176.17 3dsm s ASP 223 N 0.14 6.89 0.15 3.58 2.15 0.17 -4.47 116.67 125.29 3dsm s ASP 223 Ca -0.13 2.12 -0.11 0.00 0.43 0.00 0.00 52.55 54.87 3dsm s ASP 223 Cb -0.16 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3dsm s ASP 223 CO 0.07 -0.66 1.54 0.00 -0.17 0.00 0.00 175.17 175.95 3dsm h ALA 224 N 7.44 0.66 -0.22 3.66 0.00 -1.75 0.34 119.26 129.40 3dsm h ALA 224 Ca -0.39 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 3dsm h ALA 224 Cb 1.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3dsm h ALA 224 CO 0.88 0.66 0.04 1.49 0.00 0.00 0.00 179.25 182.32 3dsm h GLU 225 N 0.83 0.37 -0.00 0.00 4.57 -1.92 -3.25 114.58 115.18 3dsm h GLU 225 Ca 0.10 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3dsm h GLU 225 Cb 0.81 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3dsm h GLU 225 CO 0.07 0.50 -0.83 0.25 -1.18 0.00 0.00 179.01 177.82 3dsm n THR 226 N -4.72 0.00 -3.69 0.32 -2.24 -1.24 -4.98 114.28 97.73 3dsm n THR 226 Ca -0.04 -0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.49 3dsm n THR 226 Cb 0.19 0.80 0.05 0.00 -2.10 0.00 0.00 70.33 69.28 3dsm n THR 226 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3dsm n PHE 227 N -1.42 -2.28 -4.69 4.78 -0.00 0.12 -4.99 117.46 108.98 3dsm n PHE 227 Ca 0.05 0.92 -0.26 0.00 -0.00 0.00 0.00 57.45 58.16 3dsm n PHE 227 Cb 0.34 -4.54 -0.14 0.00 -0.00 0.00 0.00 39.48 35.13 3dsm n PHE 227 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3dsm s THR 228 N -3.44 1.64 0.05 -2.13 -4.23 -1.16 -4.91 115.64 101.47 3dsm s THR 228 Ca 0.31 -1.14 -0.31 0.00 -1.18 0.00 0.00 61.69 59.37 3dsm s THR 228 Cb -0.15 -1.42 -0.07 0.00 1.34 0.00 0.00 72.50 72.21 3dsm s THR 228 CO 0.78 0.24 1.38 -0.69 -0.54 0.00 0.00 174.62 175.80 3dsm s VAL 229 N -0.75 3.56 -0.13 2.29 1.01 -1.26 -0.65 120.40 124.46 3dsm s VAL 229 Ca 0.07 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.18 3dsm s VAL 229 Cb -0.09 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 3dsm s VAL 229 CO 0.01 0.04 -0.02 -0.62 0.00 0.00 0.00 175.10 174.52 3dsm n GLU 230 N 4.67 1.49 -3.91 2.72 1.02 0.64 -4.93 120.64 122.35 3dsm n GLU 230 Ca 0.12 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 3dsm n GLU 230 Cb 0.43 -1.31 -0.12 0.00 -0.02 0.00 0.00 31.44 30.42 3dsm n GLU 230 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3dsm s LYS 231 N -2.30 0.18 -0.08 3.49 -0.14 -1.06 -5.00 119.74 114.82 3dsm s LYS 231 Ca -0.11 -0.26 -0.03 0.00 -1.36 0.00 0.00 55.97 54.21 3dsm s LYS 231 Cb 0.04 0.07 0.04 0.00 -1.68 0.00 0.00 37.83 36.30 3dsm s LYS 231 CO 0.45 -0.03 0.12 -1.14 -0.76 0.00 0.00 175.35 173.99 3dsm s GLN 232 N -0.69 -0.00 -0.36 1.68 0.74 -1.26 -1.35 119.66 118.42 3dsm s GLN 232 Ca -0.08 0.40 -0.04 0.00 0.05 0.00 0.00 55.36 55.69 3dsm s GLN 232 Cb -0.05 -0.59 0.07 0.00 1.10 0.00 0.00 33.01 33.54 3dsm s GLN 232 CO -0.00 -0.38 0.12 -0.06 -0.55 0.00 0.00 175.29 174.42 3dsm s PHE 233 N 2.23 3.37 0.17 1.67 0.40 0.19 -4.95 117.98 121.06 3dsm s PHE 233 Ca 0.04 -1.86 -0.19 0.00 -0.60 0.00 0.00 56.93 54.32 3dsm s PHE 233 Cb -0.13 -2.59 -0.08 0.00 0.51 0.00 0.00 43.02 40.74 3dsm s PHE 233 CO -0.05 -0.84 0.65 0.21 0.70 0.00 0.00 175.22 175.89 3dsm s LYS 234 N 1.28 4.20 0.00 0.44 2.20 -1.26 -0.25 119.74 126.35 3dsm s LYS 234 Ca 0.01 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 3dsm s LYS 234 Cb -0.21 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3dsm s LYS 234 CO -0.01 0.48 0.00 1.19 -0.36 0.00 0.00 175.35 176.65 3dsm n PHE 235 N 1.01 0.00 -3.61 4.03 3.01 0.11 -4.97 117.46 117.05 3dsm n PHE 235 Ca -0.05 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.06 3dsm n PHE 235 Cb 0.51 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.93 3dsm n PHE 235 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3dsm s LYS 236 N 2.22 3.73 0.25 -1.08 2.20 -1.26 -4.60 119.74 121.20 3dsm s LYS 236 Ca 0.00 0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 55.45 3dsm s LYS 236 Cb 0.00 -3.02 -0.11 0.00 -1.51 0.00 0.00 37.83 33.19 3dsm s LYS 236 CO 0.00 0.58 1.59 -1.17 -0.36 0.00 0.00 175.35 175.99 3dsm s LEU 237 N -1.84 4.36 0.00 5.43 2.96 -1.26 -2.20 118.68 126.13 3dsm s LEU 237 Ca 0.31 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 57.07 3dsm s LEU 237 Cb -0.14 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3dsm s LEU 237 CO 0.17 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 3dsm n GLY 238 N 2.74 2.61 3.79 7.98 0.00 -1.26 -5.02 105.19 116.02 3dsm n GLY 238 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3dsm n GLY 238 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dsm s ASP 239 N -1.01 6.25 -0.48 1.61 1.01 -0.94 -5.00 116.67 118.11 3dsm s ASP 239 Ca 0.00 2.06 0.08 0.00 0.71 0.00 0.00 52.55 55.39 3dsm s ASP 239 Cb 0.00 -2.58 0.29 0.00 1.01 0.00 0.00 42.92 41.64 3dsm s ASP 239 CO 0.00 -0.85 0.70 -2.67 0.21 0.00 0.00 175.17 172.56 3dsm n TRP 240 N -0.82 1.58 -0.97 4.23 2.14 -1.26 -4.63 117.44 117.71 3dsm n TRP 240 Ca 0.09 -3.85 -0.29 0.00 2.07 0.00 0.00 57.50 55.51 3dsm n TRP 240 Cb 0.51 -0.44 0.18 0.00 -0.81 0.00 0.00 31.31 30.74 3dsm n TRP 240 CO 0.00 0.00 0.00 -1.25 2.07 0.00 0.00 177.69 178.51 3dsm s PRO 241 N -2.19 0.49 -0.05 -2.67 0.04 -1.26 -4.86 135.00 124.51 3dsm s PRO 241 Ca 0.40 0.85 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 3dsm s PRO 241 Cb 0.22 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 33.13 3dsm s PRO 241 CO -0.08 -2.78 1.15 -1.13 0.04 0.00 0.00 177.00 174.20 3dsm n SER 242 N -4.26 -0.96 -3.54 6.66 3.41 -0.19 -4.17 113.62 110.57 3dsm n SER 242 Ca 0.06 -1.12 -0.25 0.00 -0.26 0.00 0.00 58.87 57.31 3dsm n SER 242 Cb 0.55 1.47 0.04 0.00 -0.26 0.00 0.00 64.21 66.01 3dsm n SER 242 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dsm n GLU 243 N -0.83 -1.43 -2.08 4.33 -0.58 -1.26 -0.76 120.64 118.02 3dsm n GLU 243 Ca 0.05 0.67 -0.41 0.00 -0.42 0.00 0.00 57.16 57.05 3dsm n GLU 243 Cb 0.50 -4.48 -0.02 0.00 -0.57 0.00 0.00 31.44 26.87 3dsm n GLU 243 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3dsm s VAL 244 N -3.36 2.68 0.01 2.62 -7.23 -1.26 -4.20 120.40 109.66 3dsm s VAL 244 Ca 0.39 0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 61.19 3dsm s VAL 244 Cb -0.12 -3.42 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 3dsm s VAL 244 CO 0.83 0.15 0.06 -1.10 -0.31 0.00 0.00 175.10 174.72 3dsm s GLN 245 N -1.54 0.37 0.24 4.82 -1.52 0.11 -4.79 119.66 117.34 3dsm s GLN 245 Ca 0.51 -0.44 0.12 0.00 -1.95 0.00 0.00 55.36 53.59 3dsm s GLN 245 Cb -0.40 0.14 -0.05 0.00 -0.22 0.00 0.00 33.01 32.48 3dsm s GLN 245 CO 0.52 -0.08 -0.21 -0.51 -0.25 0.00 0.00 175.29 174.77 3dsm s LEU 246 N -1.27 2.56 0.89 2.90 1.43 -1.26 0.31 118.68 124.25 3dsm s LEU 246 Ca -0.14 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 3dsm s LEU 246 Cb -0.08 -1.18 0.19 0.00 0.03 0.00 0.00 46.19 45.15 3dsm s LEU 246 CO 0.00 0.08 1.22 0.54 0.23 0.00 0.00 176.35 178.42 3dsm s ASN 247 N -3.12 3.39 0.22 2.29 4.22 -0.97 -4.56 114.94 116.40 3dsm s ASN 247 Ca 0.26 -0.08 -0.08 0.00 -2.14 0.00 0.00 52.86 50.82 3dsm s ASN 247 Cb -0.06 -0.01 0.33 0.00 1.28 0.00 0.00 41.25 42.78 3dsm s ASN 247 CO 0.13 -2.53 1.74 1.23 -2.04 0.00 0.00 177.10 175.63 3dsm h GLY 248 N -1.30 0.92 1.05 0.45 0.00 -1.77 -1.32 103.07 101.10 3dsm h GLY 248 Ca -0.40 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3dsm h GLY 248 CO 0.35 -0.05 -0.00 -1.30 0.00 0.00 0.00 176.54 175.54 3dsm n THR 249 N -5.01 0.00 -3.85 4.70 -2.24 -1.26 -4.91 114.28 101.70 3dsm n THR 249 Ca 0.10 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 3dsm n THR 249 Cb 0.32 -0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.08 3dsm n THR 249 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dsm n ARG 250 N -1.02 -6.02 0.00 -0.78 1.74 -0.50 -4.50 116.66 105.59 3dsm n ARG 250 Ca 0.23 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 3dsm n ARG 250 Cb 0.12 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 25.99 3dsm n ARG 250 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3dsm n ASP 251 N -2.87 0.82 -3.83 0.55 5.68 -1.26 -1.43 116.55 114.20 3dsm n ASP 251 Ca 0.03 -1.17 -0.26 0.00 -0.50 0.00 0.00 54.79 52.89 3dsm n ASP 251 Cb 0.53 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.35 3dsm n ASP 251 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3dsm s THR 252 N -0.17 0.77 -0.10 2.12 2.01 -1.26 -1.45 115.64 117.56 3dsm s THR 252 Ca 0.00 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 3dsm s THR 252 Cb 0.00 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 3dsm s THR 252 CO 0.00 0.17 0.23 -0.22 -0.69 0.00 0.00 174.62 174.11 3dsm s LEU 253 N 1.79 4.38 0.17 4.42 2.96 -1.26 -2.30 118.68 128.84 3dsm s LEU 253 Ca 0.03 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.61 3dsm s LEU 253 Cb -0.14 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3dsm s LEU 253 CO -0.07 0.34 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.80 3dsm s TYR 254 N -0.78 1.85 0.24 5.38 1.51 0.15 -4.04 117.35 121.66 3dsm s TYR 254 Ca 0.17 -0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 55.55 3dsm s TYR 254 Cb -0.13 -0.92 0.05 0.00 -0.11 0.00 0.00 41.96 40.85 3dsm s TYR 254 CO 0.06 0.35 0.87 1.67 -1.11 0.00 0.00 175.55 177.40 3dsm s TRP 255 N -2.09 -0.07 -0.09 2.71 -2.14 -0.65 0.06 118.94 116.67 3dsm s TRP 255 Ca 0.17 -0.37 0.01 0.00 2.66 0.00 0.00 56.10 58.56 3dsm s TRP 255 Cb -0.06 0.71 -0.02 0.00 -3.10 0.00 0.00 33.47 31.00 3dsm s TRP 255 CO 0.07 -1.10 -0.11 0.42 -2.66 0.00 0.00 176.95 173.57 3dsm s ILE 256 N -3.10 3.33 -0.47 0.66 1.01 0.06 -1.09 121.20 121.60 3dsm s ILE 256 Ca 0.14 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3dsm s ILE 256 Cb -0.04 -2.37 0.21 0.00 0.01 0.00 0.00 42.46 40.27 3dsm s ILE 256 CO 0.06 0.56 0.86 -3.20 0.00 0.00 0.00 174.94 173.22 3dsm n ASN 257 N 2.85 -2.83 0.00 3.58 4.05 -1.26 -1.02 115.26 120.63 3dsm n ASN 257 Ca -0.18 -2.46 0.00 0.00 0.45 0.00 0.00 54.58 52.39 3dsm n ASN 257 Cb 0.53 1.48 0.00 0.00 1.23 0.00 0.00 39.78 43.02 3dsm n ASN 257 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3dsm n ASN 258 N 2.62 0.00 -4.80 1.20 3.02 -1.26 -4.70 115.26 111.33 3dsm n ASN 258 Ca 0.14 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 3dsm n ASN 258 Cb 0.60 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.85 3dsm n ASN 258 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3dsm s ASP 259 N 0.00 4.70 -0.29 6.41 1.01 -1.26 -4.46 116.67 122.78 3dsm s ASP 259 Ca 0.00 -0.05 -0.12 0.00 0.71 0.00 0.00 52.55 53.09 3dsm s ASP 259 Cb 0.00 -0.54 -0.04 0.00 1.01 0.00 0.00 42.92 43.35 3dsm s ASP 259 CO 0.00 -1.60 0.22 -0.63 0.21 0.00 0.00 175.17 173.37 3dsm s ILE 260 N -3.06 5.29 0.24 0.77 -1.09 0.29 -4.53 121.20 119.11 3dsm s ILE 260 Ca 0.62 0.15 0.06 0.00 -2.23 0.00 0.00 60.65 59.26 3dsm s ILE 260 Cb -0.08 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 3dsm s ILE 260 CO 0.43 0.19 0.22 0.26 -1.23 0.00 0.00 174.94 174.81 3dsm s TRP 261 N 1.79 3.18 0.29 3.97 0.52 -0.25 -0.06 118.94 128.39 3dsm s TRP 261 Ca 0.08 -0.09 -0.11 0.00 0.02 0.00 0.00 56.10 56.00 3dsm s TRP 261 Cb -0.16 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 3dsm s TRP 261 CO 0.11 0.51 0.53 -0.98 0.02 0.00 0.00 176.95 177.13 3dsm s ARG 262 N -3.81 1.75 0.01 4.98 1.70 -1.26 -1.64 118.95 120.68 3dsm s ARG 262 Ca 0.33 -1.40 -0.10 0.00 -0.47 0.00 0.00 55.73 54.09 3dsm s ARG 262 Cb -0.08 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 3dsm s ARG 262 CO 0.26 -0.74 0.34 -2.14 -1.08 0.00 0.00 175.30 171.93 3dsm s PRO 264 N -3.53 3.73 0.22 3.89 0.02 -1.26 -4.60 135.00 133.47 3dsm s PRO 264 Ca 0.23 0.16 0.20 0.00 0.02 0.00 0.00 61.00 61.61 3dsm s PRO 264 Cb -0.01 -3.12 0.91 0.00 0.02 0.00 0.00 34.50 32.30 3dsm s PRO 264 CO 0.12 0.66 1.62 1.33 -0.33 0.00 0.00 177.00 180.40 3dsm n VAL 265 N 1.43 0.98 1.15 3.83 0.24 -0.53 -1.81 118.33 123.62 3dsm n VAL 265 Ca -0.13 0.37 0.12 0.00 -2.04 0.00 0.00 64.34 62.67 3dsm n VAL 265 Cb 0.53 -1.30 0.21 0.00 -1.47 0.00 0.00 33.84 31.81 3dsm n VAL 265 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dsm n GLU 266 N -2.09 1.29 -1.74 7.34 4.71 -1.26 -4.97 120.64 123.91 3dsm n GLU 266 Ca 0.01 -0.94 -0.35 0.00 -0.01 0.00 0.00 57.16 55.88 3dsm n GLU 266 Cb 0.16 -1.48 0.06 0.00 -1.01 0.00 0.00 31.44 29.17 3dsm n GLU 266 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dsm s ALA 267 N -2.36 2.37 -2.59 0.62 0.00 -0.75 -4.95 121.76 114.10 3dsm s ALA 267 Ca 0.24 0.84 0.24 0.00 0.00 0.00 0.00 51.96 53.28 3dsm s ALA 267 Cb 0.19 -3.42 0.39 0.00 0.00 0.00 0.00 23.12 20.28 3dsm s ALA 267 CO 0.49 -1.45 1.38 -0.25 0.00 0.00 0.00 175.76 175.93 3dsm n ASP 268 N -2.22 3.36 -3.46 0.00 8.00 -1.26 -4.97 116.55 116.00 3dsm n ASP 268 Ca 0.13 -1.99 -0.11 0.00 0.71 0.00 0.00 54.79 53.52 3dsm n ASP 268 Cb 0.50 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 3dsm n ASP 268 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dsm s ARG 269 N -1.60 1.08 0.02 -1.24 1.70 -1.26 -5.11 118.95 112.54 3dsm s ARG 269 Ca 0.37 -0.33 -0.29 0.00 -0.47 0.00 0.00 55.73 55.01 3dsm s ARG 269 Cb 0.22 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 35.06 3dsm s ARG 269 CO 0.31 -0.46 0.93 0.08 -1.08 0.00 0.00 175.30 175.09 3dsm s VAL 270 N -3.24 4.79 0.66 4.99 1.01 -1.26 -4.96 120.40 122.40 3dsm s VAL 270 Ca 0.01 1.97 -0.17 0.00 0.00 0.00 0.00 61.98 63.79 3dsm s VAL 270 Cb -0.01 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3dsm s VAL 270 CO -0.09 0.22 0.85 -2.65 0.00 0.00 0.00 175.10 173.43 3dsm n PRO 271 N 3.55 0.62 0.12 2.72 -0.02 -1.26 -4.91 135.00 135.83 3dsm n PRO 271 Ca 0.04 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.76 3dsm n PRO 271 Cb 0.51 -2.09 0.09 0.00 -0.02 0.00 0.00 33.50 31.99 3dsm n PRO 271 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3dsm h VAL 272 N 0.06 1.35 -3.13 -1.45 -1.51 -1.97 -3.44 116.25 106.16 3dsm h VAL 272 Ca -0.47 -2.44 -0.66 0.00 -1.23 0.00 0.00 66.70 61.89 3dsm h VAL 272 Cb 1.36 2.37 -0.11 0.00 -2.13 0.00 0.00 31.29 32.77 3dsm h VAL 272 CO 0.48 0.67 -0.58 -0.13 -1.23 0.00 0.00 177.57 176.77 3dsm s ARG 273 N -3.23 3.07 0.74 5.19 1.81 -1.26 -5.12 118.95 120.15 3dsm s ARG 273 Ca 0.00 -0.43 -0.06 0.00 -1.72 0.00 0.00 55.73 53.52 3dsm s ARG 273 Cb 0.11 -2.87 0.10 0.00 -0.45 0.00 0.00 34.95 31.84 3dsm s ARG 273 CO 0.76 0.68 1.04 -1.25 -0.68 0.00 0.00 175.30 175.86 3dsm s PRO 274 N -1.39 1.83 -0.05 3.54 0.04 -1.26 -4.84 135.00 132.87 3dsm s PRO 274 Ca 0.19 -0.53 -0.23 0.00 0.04 0.00 0.00 61.00 60.47 3dsm s PRO 274 Cb -0.12 -2.18 -0.29 0.00 0.04 0.00 0.00 34.50 31.96 3dsm s PRO 274 CO 0.09 -1.45 0.93 0.35 0.04 0.00 0.00 177.00 176.96 3dsm h PHE 275 N -0.71 0.45 -3.25 0.56 3.57 -0.78 -3.44 116.94 113.34 3dsm h PHE 275 Ca -0.42 -0.31 -0.48 0.00 3.53 0.00 0.00 57.97 60.29 3dsm h PHE 275 Cb 1.29 -0.03 -0.38 0.00 2.79 0.00 0.00 35.95 39.62 3dsm h PHE 275 CO -0.04 1.20 -0.77 -1.17 -2.23 0.00 0.00 178.31 175.29 3dsm s LEU 276 N -8.07 0.91 0.59 0.59 2.96 -0.75 -4.92 118.68 109.98 3dsm s LEU 276 Ca -0.14 -0.34 -0.19 0.00 -0.22 0.00 0.00 54.13 53.24 3dsm s LEU 276 Cb 0.01 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 3dsm s LEU 276 CO 0.80 -0.21 1.22 -1.61 -1.32 0.00 0.00 176.35 175.23 3dsm s GLU 277 N 1.87 2.99 0.47 1.98 2.02 -1.26 -0.55 118.70 126.23 3dsm s GLU 277 Ca 0.03 1.86 -0.24 0.00 0.02 0.00 0.00 54.97 56.63 3dsm s GLU 277 Cb -0.14 -1.95 -0.07 0.00 0.10 0.00 0.00 34.13 32.07 3dsm s GLU 277 CO -0.07 -1.20 1.40 0.12 0.02 0.00 0.00 175.26 175.53 3dsm s PHE 278 N -1.57 2.45 -0.18 1.61 5.36 -1.26 -4.80 117.98 119.58 3dsm s PHE 278 Ca 0.77 1.31 0.19 0.00 -0.96 0.00 0.00 56.93 58.24 3dsm s PHE 278 Cb -0.31 -3.86 0.46 0.00 -0.34 0.00 0.00 43.02 38.97 3dsm s PHE 278 CO 0.34 -2.84 1.16 2.89 -1.46 0.00 0.00 175.22 175.30 3dsm n ARG 279 N -0.40 1.52 -2.30 10.12 1.85 -1.26 -4.97 116.66 121.22 3dsm n ARG 279 Ca 0.06 -3.14 -0.21 0.00 -1.00 0.00 0.00 57.85 53.56 3dsm n ARG 279 Cb 0.43 -1.25 -0.02 0.00 -1.05 0.00 0.00 32.46 30.57 3dsm n ARG 279 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3dsm n ASP 280 N -0.36 -5.84 0.00 2.89 9.92 -1.26 -4.97 116.55 116.93 3dsm n ASP 280 Ca 0.15 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 3dsm n ASP 280 Cb 0.92 -4.90 0.00 0.00 -0.64 0.00 0.00 41.12 36.50 3dsm n ASP 280 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3dsm n THR 281 N -3.80 0.00 -3.39 -3.53 -2.24 -1.26 -5.05 114.28 95.00 3dsm n THR 281 Ca -0.24 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 3dsm n THR 281 Cb 0.69 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 3dsm n THR 281 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dsm s LYS 282 N 3.21 0.87 0.11 -0.78 -0.14 -1.22 -4.90 119.74 116.90 3dsm s LYS 282 Ca 0.00 -2.04 -0.31 0.00 -1.36 0.00 0.00 55.97 52.25 3dsm s LYS 282 Cb 0.00 -1.40 -0.11 0.00 -1.68 0.00 0.00 37.83 34.65 3dsm s LYS 282 CO 0.00 -1.38 1.85 0.66 -0.76 0.00 0.00 175.35 175.72 3dsm n TYR 283 N 2.94 2.61 0.00 3.18 0.53 -1.26 -0.55 117.16 124.61 3dsm n TYR 283 Ca 0.29 -0.16 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 3dsm n TYR 283 Cb 0.47 -2.74 0.00 0.00 -1.03 0.00 0.00 39.34 36.05 3dsm n TYR 283 CO 0.00 0.00 0.00 0.98 -1.02 0.00 0.00 176.86 176.82 3dsm n TYR 284 N 5.79 0.00 -4.46 -0.72 9.36 0.67 -4.88 117.16 122.92 3dsm n TYR 284 Ca 0.18 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.16 3dsm n TYR 284 Cb 0.37 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.98 3dsm n TYR 284 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3dsm s GLY 285 N -3.62 1.87 -0.06 2.98 0.00 -0.75 -4.87 107.32 102.86 3dsm s GLY 285 Ca 0.00 -1.86 -0.25 0.00 0.00 0.00 0.00 44.72 42.61 3dsm s GLY 285 CO 0.00 -1.94 0.56 -2.27 0.00 0.00 0.00 173.10 169.45 3dsm s LEU 286 N -3.45 -0.18 0.06 0.66 2.96 -1.26 -0.90 118.68 116.57 3dsm s LEU 286 Ca 0.29 0.61 -0.26 0.00 -0.22 0.00 0.00 54.13 54.54 3dsm s LEU 286 Cb -0.05 2.11 0.09 0.00 0.50 0.00 0.00 46.19 48.84 3dsm s LEU 286 CO 0.15 -0.51 0.76 0.28 -1.32 0.00 0.00 176.35 175.71 3dsm s THR 287 N -1.02 0.00 -0.06 3.68 -1.32 -0.66 -4.72 115.64 111.53 3dsm s THR 287 Ca -0.10 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.41 3dsm s THR 287 Cb -0.02 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.98 3dsm s THR 287 CO 0.07 0.00 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.64 3dsm s VAL 288 N -3.29 1.30 -0.03 5.08 1.01 -1.26 -0.79 120.40 122.43 3dsm s VAL 288 Ca 0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3dsm s VAL 288 Cb -0.01 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 3dsm s VAL 288 CO -0.10 0.39 1.73 0.21 0.00 0.00 0.00 175.10 177.33 3dsm s ASN 289 N 0.46 6.62 0.23 3.32 3.84 0.11 -4.78 114.94 124.73 3dsm s ASN 289 Ca -0.12 2.34 0.20 0.00 0.21 0.00 0.00 52.86 55.49 3dsm s ASN 289 Cb -0.15 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 38.93 3dsm s ASN 289 CO 0.04 -0.95 1.60 -0.81 -2.79 0.00 0.00 177.10 174.19 3dsm n PRO 290 N 7.21 0.14 -0.13 0.43 -0.04 -1.26 -0.97 135.00 140.37 3dsm n PRO 290 Ca 0.18 0.48 -0.21 0.00 -0.04 0.00 0.00 63.50 63.91 3dsm n PRO 290 Cb 0.42 -1.83 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 3dsm n PRO 290 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dsm n ASN 291 N -2.09 1.98 -0.21 3.54 3.02 -1.26 -4.10 115.26 116.13 3dsm n ASN 291 Ca 0.01 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.59 3dsm n ASN 291 Cb 0.14 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 3dsm n ASN 291 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3dsm n ASN 292 N -3.55 1.30 0.00 6.41 0.23 -1.23 -5.01 115.26 113.41 3dsm n ASN 292 Ca -0.48 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 3dsm n ASN 292 Cb 0.96 0.20 0.00 0.00 -2.08 0.00 0.00 39.78 38.86 3dsm n ASN 292 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dsm n GLY 293 N 0.53 0.83 3.77 4.83 0.00 -0.15 -4.72 105.19 110.28 3dsm n GLY 293 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3dsm n GLY 293 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dsm s GLU 294 N -0.10 4.16 -0.20 1.61 2.02 -1.26 -4.13 118.70 120.81 3dsm s GLU 294 Ca 0.00 2.49 -0.07 0.00 0.02 0.00 0.00 54.97 57.41 3dsm s GLU 294 Cb 0.00 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 3dsm s GLU 294 CO 0.00 -0.49 0.06 0.08 0.02 0.00 0.00 175.26 174.93 3dsm s VAL 295 N -0.85 4.63 -0.16 2.63 1.01 0.15 0.04 120.40 127.86 3dsm s VAL 295 Ca 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 3dsm s VAL 295 Cb -0.45 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3dsm s VAL 295 CO 0.57 0.43 -0.06 -0.31 0.00 0.00 0.00 175.10 175.74 3dsm s TYR 296 N 0.67 2.96 -0.17 5.22 1.51 0.03 -0.53 117.35 127.05 3dsm s TYR 296 Ca 0.03 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 3dsm s TYR 296 Cb -0.13 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 3dsm s TYR 296 CO 0.02 -0.17 -0.16 0.08 -1.11 0.00 0.00 175.55 174.21 3dsm s VAL 297 N 0.58 2.57 -0.32 0.71 1.01 0.03 -1.66 120.40 123.32 3dsm s VAL 297 Ca -0.04 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 3dsm s VAL 297 Cb -0.15 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3dsm s VAL 297 CO 0.03 0.51 0.45 0.00 0.00 0.00 0.00 175.10 176.09 3dsm s ALA 298 N 0.98 3.51 -0.31 5.51 0.00 -0.07 -0.80 121.76 130.58 3dsm s ALA 298 Ca -0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3dsm s ALA 298 Cb -0.15 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 3dsm s ALA 298 CO -0.03 -1.02 0.18 0.34 0.00 0.00 0.00 175.76 175.22 3dsm s ASP 299 N 1.71 5.71 0.00 0.00 -1.08 0.41 -0.24 116.67 123.18 3dsm s ASP 299 Ca 0.16 -0.44 0.24 0.00 -0.52 0.00 0.00 52.55 51.99 3dsm s ASP 299 Cb -0.16 -2.05 1.07 0.00 -1.46 0.00 0.00 42.92 40.33 3dsm s ASP 299 CO 0.12 -0.19 1.77 0.00 0.52 0.00 0.00 175.17 177.39 3dsm n ALA 300 N 5.02 2.13 -0.41 3.66 0.00 0.29 -1.84 120.51 129.36 3dsm n ALA 300 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3dsm n ALA 300 Cb 0.50 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3dsm n ALA 300 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dsm n ILE 301 N -1.44 0.00 -1.74 0.00 2.08 -1.25 -1.14 119.36 115.87 3dsm n ILE 301 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 3dsm n ILE 301 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 3dsm n ILE 301 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3dsm n ASP 302 N 1.14 0.00 -0.09 4.38 5.75 -1.26 -3.42 116.55 123.05 3dsm n ASP 302 Ca 0.00 -1.44 -0.01 0.00 -0.01 0.00 0.00 54.79 53.33 3dsm n ASP 302 Cb 0.00 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 3dsm n ASP 302 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3dsm n TYR 303 N 0.00 0.00 0.04 2.11 4.02 -0.29 -4.77 117.16 118.27 3dsm n TYR 303 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3dsm n TYR 303 Cb 0.59 -1.62 0.00 0.00 -0.02 0.00 0.00 39.34 38.28 3dsm n TYR 303 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3dsm n GLN 304 N -0.14 0.00 -1.30 -0.72 6.02 -1.26 -4.86 117.38 115.13 3dsm n GLN 304 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 3dsm n GLN 304 Cb 0.39 -0.40 0.21 0.00 1.02 0.00 0.00 30.24 31.46 3dsm n GLN 304 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3dsm s GLN 305 N -1.81 -0.31 0.27 -1.09 -2.07 -1.26 -4.93 119.66 108.45 3dsm s GLN 305 Ca 0.00 0.02 -0.31 0.00 -1.82 0.00 0.00 55.36 53.26 3dsm s GLN 305 Cb 0.00 -1.69 -0.12 0.00 -1.09 0.00 0.00 33.01 30.11 3dsm s GLN 305 CO 0.00 -3.13 1.63 -1.14 -1.32 0.00 0.00 175.29 171.34 3dsm s GLN 306 N -5.39 4.12 0.76 9.60 0.74 -1.26 -4.55 119.66 123.68 3dsm s GLN 306 Ca 0.69 2.59 -0.12 0.00 0.05 0.00 0.00 55.36 58.58 3dsm s GLN 306 Cb -0.11 -3.04 0.05 0.00 1.10 0.00 0.00 33.01 31.01 3dsm s GLN 306 CO 0.55 -0.67 1.13 0.20 -0.55 0.00 0.00 175.29 175.96 3dsm s GLY 307 N 0.69 1.61 0.04 2.59 0.00 0.10 -4.91 107.32 107.44 3dsm s GLY 307 Ca 0.67 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.94 3dsm s GLY 307 CO 0.44 -0.05 -0.09 -1.50 0.00 0.00 0.00 173.10 171.90 3dsm s ILE 308 N -3.45 0.63 -0.10 0.90 2.07 -0.77 -1.27 121.20 119.21 3dsm s ILE 308 Ca 0.60 -0.99 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 3dsm s ILE 308 Cb -0.11 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.81 3dsm s ILE 308 CO 0.51 -0.27 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.39 3dsm s VAL 309 N -1.17 2.58 -0.15 4.00 1.01 0.04 -0.45 120.40 126.27 3dsm s VAL 309 Ca -0.07 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 3dsm s VAL 309 Cb -0.09 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3dsm s VAL 309 CO 0.01 0.55 0.05 -0.31 0.00 0.00 0.00 175.10 175.39 3dsm s TYR 310 N 0.18 3.24 -0.25 5.22 2.02 0.02 -1.36 117.35 126.42 3dsm s TYR 310 Ca -0.11 0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3dsm s TYR 310 Cb -0.16 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3dsm s TYR 310 CO 0.06 0.26 -0.04 0.50 -1.57 0.00 0.00 175.55 174.76 3dsm s ARG 311 N -0.05 2.94 0.13 -0.62 3.52 0.46 -0.79 118.95 124.55 3dsm s ARG 311 Ca 0.06 -0.92 0.10 0.00 -0.13 0.00 0.00 55.73 54.84 3dsm s ARG 311 Cb -0.12 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 3dsm s ARG 311 CO 0.01 -0.38 -0.21 0.71 -0.81 0.00 0.00 175.30 174.63 3dsm s TYR 312 N 1.36 2.45 0.77 5.12 2.02 0.31 0.05 117.35 129.44 3dsm s TYR 312 Ca 0.01 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 3dsm s TYR 312 Cb -0.16 -1.29 0.05 0.00 -0.40 0.00 0.00 41.96 40.16 3dsm s TYR 312 CO -0.04 0.40 1.13 -1.54 -1.57 0.00 0.00 175.55 173.92 3dsm s SER 313 N -2.23 4.84 0.58 2.29 1.04 0.20 -0.67 113.70 119.75 3dsm s SER 313 Ca 0.18 1.04 0.28 0.00 0.48 0.00 0.00 55.95 57.93 3dsm s SER 313 Cb -0.10 -1.72 1.65 0.00 0.10 0.00 0.00 66.02 65.95 3dsm s SER 313 CO 0.09 -1.72 2.13 -0.65 0.98 0.00 0.00 173.24 174.08 3dsm h PRO 314 N -0.92 0.00 -0.00 4.02 0.11 -1.85 0.28 132.00 133.64 3dsm h PRO 314 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dsm h PRO 314 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dsm h PRO 314 CO 0.64 0.00 -0.10 1.04 -0.21 0.00 0.00 178.00 179.37 3dsm n GLN 315 N -3.91 0.60 -0.65 1.05 3.00 -1.26 -4.92 117.38 111.30 3dsm n GLN 315 Ca 0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 3dsm n GLN 315 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.01 3dsm n GLN 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dsm n GLY 316 N 1.29 0.81 3.76 1.08 0.00 0.98 -5.07 105.19 108.05 3dsm n GLY 316 Ca 0.14 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3dsm n GLY 316 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dsm s LYS 317 N -1.42 4.17 -0.05 1.61 2.20 -1.25 -4.79 119.74 120.21 3dsm s LYS 317 Ca 0.00 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 3dsm s LYS 317 Cb 0.00 -3.37 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 3dsm s LYS 317 CO 0.00 0.34 1.64 -1.17 -0.36 0.00 0.00 175.35 175.81 3dsm s LEU 318 N 0.07 4.32 -0.25 5.43 2.96 -1.26 -0.63 118.68 129.32 3dsm s LEU 318 Ca 0.22 2.23 -0.02 0.00 -0.22 0.00 0.00 54.13 56.33 3dsm s LEU 318 Cb -0.15 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.84 3dsm s LEU 318 CO 0.09 -0.92 -0.20 -0.38 -1.32 0.00 0.00 176.35 173.62 3dsm n ILE 319 N 5.44 1.52 -3.68 6.68 5.41 0.11 -4.94 119.36 129.91 3dsm n ILE 319 Ca 0.17 -0.53 -0.04 0.00 1.00 0.00 0.00 62.75 63.35 3dsm n ILE 319 Cb 0.43 -1.55 -0.01 0.00 -0.71 0.00 0.00 39.64 37.79 3dsm n ILE 319 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3dsm s ASP 320 N -6.76 -0.21 -0.06 4.38 2.15 -1.03 -5.01 116.67 110.12 3dsm s ASP 320 Ca -0.35 -0.27 -0.15 0.00 0.43 0.00 0.00 52.55 52.22 3dsm s ASP 320 Cb 0.10 0.42 0.03 0.00 -0.30 0.00 0.00 42.92 43.17 3dsm s ASP 320 CO 0.59 -0.75 0.34 -1.83 -0.17 0.00 0.00 175.17 173.36 3dsm s GLU 321 N -3.13 0.59 -0.14 4.34 -1.05 -1.26 -0.40 118.70 117.65 3dsm s GLU 321 Ca 0.11 0.08 -0.18 0.00 -0.15 0.00 0.00 54.97 54.82 3dsm s GLU 321 Cb -0.01 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 34.00 3dsm s GLU 321 CO -0.01 -0.14 0.49 -0.59 0.95 0.00 0.00 175.26 175.95 3dsm s PHE 322 N -0.77 -0.50 0.16 4.83 -0.12 -0.46 -4.98 117.98 116.14 3dsm s PHE 322 Ca -0.09 1.14 -0.30 0.00 -0.05 0.00 0.00 56.93 57.63 3dsm s PHE 322 Cb -0.04 0.20 -0.07 0.00 -0.63 0.00 0.00 43.02 42.48 3dsm s PHE 322 CO 0.03 -0.32 0.96 0.71 -0.05 0.00 0.00 175.22 176.55 3dsm s TYR 323 N -0.16 3.86 0.00 3.49 1.51 -1.26 -0.78 117.35 124.01 3dsm s TYR 323 Ca -0.03 1.83 0.00 0.00 -1.01 0.00 0.00 57.07 57.86 3dsm s TYR 323 Cb -0.03 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 3dsm s TYR 323 CO 0.02 0.26 0.00 1.33 -1.11 0.00 0.00 175.55 176.05 3dsm n VAL 324 N 2.33 0.00 -2.48 0.71 0.24 -0.39 -4.94 118.33 113.80 3dsm n VAL 324 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3dsm n VAL 324 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3dsm n VAL 324 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dsm n GLY 325 N 5.00 3.85 3.70 7.63 0.00 -1.26 -4.59 105.19 119.52 3dsm n GLY 325 Ca 0.00 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 3dsm n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dsm s ILE 326 N 1.48 5.01 -0.97 -0.61 1.01 -1.26 0.03 121.20 125.88 3dsm s ILE 326 Ca 0.00 1.47 -0.10 0.00 0.00 0.00 0.00 60.65 62.02 3dsm s ILE 326 Cb 0.00 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3dsm s ILE 326 CO 0.00 0.19 0.77 -0.38 0.00 0.00 0.00 174.94 175.52 3dsm n ILE 327 N 4.06 -7.19 -2.12 2.92 5.41 -1.26 -0.43 119.36 120.74 3dsm n ILE 327 Ca 0.00 -0.71 -0.42 0.00 1.00 0.00 0.00 62.75 62.62 3dsm n ILE 327 Cb 0.51 -5.19 -0.03 0.00 -0.71 0.00 0.00 39.64 34.22 3dsm n ILE 327 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3dsm s PRO 328 N -4.79 4.30 0.00 0.38 0.04 -1.26 -1.31 135.00 132.37 3dsm s PRO 328 Ca 0.28 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3dsm s PRO 328 Cb -0.08 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.23 3dsm s PRO 328 CO 0.82 -0.46 0.04 0.41 0.04 0.00 0.00 177.00 177.84 3dsm n GLY 329 N 3.44 0.82 3.15 0.56 0.00 -0.96 -4.00 105.19 108.21 3dsm n GLY 329 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 3dsm n GLY 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dsm s ALA 330 N -0.25 -0.32 0.23 4.61 0.00 -1.24 -4.33 121.76 120.46 3dsm s ALA 330 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.79 3dsm s ALA 330 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3dsm s ALA 330 CO 0.00 -0.31 -0.15 -0.06 0.00 0.00 0.00 175.76 175.24 3dsm s PHE 331 N -2.19 1.89 -0.21 0.00 0.40 -1.26 -1.26 117.98 115.34 3dsm s PHE 331 Ca -0.08 -0.52 -0.06 0.00 -0.60 0.00 0.00 56.93 55.67 3dsm s PHE 331 Cb -0.03 -0.88 0.10 0.00 0.51 0.00 0.00 43.02 42.72 3dsm s PHE 331 CO -0.02 0.45 0.43 0.00 0.70 0.00 0.00 175.22 176.78 3dsm s TRP 333 N 2.63 3.84 -0.56 0.00 0.52 -1.26 -0.26 118.94 123.86 3dsm s TRP 333 Ca 0.00 1.72 -0.05 0.00 0.02 0.00 0.00 56.10 57.79 3dsm s TRP 333 Cb -0.12 -2.94 0.14 0.00 -1.15 0.00 0.00 33.47 29.40 3dsm s TRP 333 CO -0.14 0.32 0.38 0.21 0.02 0.00 0.00 176.95 177.75 3dsm s LYS 334 N -0.43 2.47 -0.09 4.98 2.20 0.04 -4.83 119.74 124.09 3dsm s LYS 334 Ca 0.42 -2.21 -0.11 0.00 -0.36 0.00 0.00 55.97 53.71 3dsm s LYS 334 Cb -0.23 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 3dsm s LYS 334 CO 0.28 -1.16 0.25 -0.51 -0.36 0.00 0.00 175.35 173.86 3dsm s LEU 335 N 0.51 4.39 0.14 5.43 1.43 -1.26 -1.47 118.68 127.86 3dsm s LEU 335 Ca 0.13 0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 3dsm s LEU 335 Cb -0.21 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 3dsm s LEU 335 CO -0.04 0.33 1.16 -0.70 0.23 0.00 0.00 176.35 177.34 3dsm s GLU 336 N -0.80 4.50 -0.12 1.70 2.12 -1.26 -5.01 118.70 119.84 3dsm s GLU 336 Ca 0.18 1.78 -0.32 0.00 0.36 0.00 0.00 54.97 56.97 3dsm s GLU 336 Cb -0.14 -3.29 0.13 0.00 0.26 0.00 0.00 34.13 31.09 3dsm s GLU 336 CO 0.07 -0.09 1.07 -3.38 -0.54 0.00 0.00 175.26 172.38 3dsm s HIS 337 N 0.29 -0.24 -0.20 5.30 -3.43 -1.26 -5.10 115.29 110.66 3dsm s HIS 337 Ca 0.54 0.19 -0.19 0.00 -0.80 0.00 0.00 55.06 54.80 3dsm s HIS 337 Cb -0.30 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.33 3dsm s HIS 337 CO 0.33 -0.34 0.55 -1.01 -2.00 0.00 0.00 174.74 172.27 3dsm s HIS 338 N -2.47 3.38 0.59 0.38 3.76 -1.26 -5.06 115.29 114.61 3dsm s HIS 338 Ca 0.06 0.83 -0.14 0.00 -0.15 0.00 0.00 55.06 55.66 3dsm s HIS 338 Cb -0.01 -2.71 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 3dsm s HIS 338 CO -0.06 -0.12 1.03 -1.01 -0.85 0.00 0.00 174.74 173.74 3dsm s HIS 339 N 1.70 3.23 0.53 1.40 3.76 -1.26 -5.05 115.29 119.60 3dsm s HIS 339 Ca 0.26 1.45 -0.11 0.00 -0.15 0.00 0.00 55.06 56.51 3dsm s HIS 339 Cb -0.16 -2.88 -0.05 0.00 1.11 0.00 0.00 32.58 30.60 3dsm s HIS 339 CO 0.10 -0.87 0.94 -1.01 -0.85 0.00 0.00 174.74 173.05 3dsm s HIS 340 N -2.71 3.55 -0.87 1.40 3.76 -1.26 -5.22 115.29 113.94 3dsm s HIS 340 Ca 0.60 1.22 0.07 0.00 -0.15 0.00 0.00 55.06 56.80 3dsm s HIS 340 Cb -0.13 -2.62 0.05 0.00 1.11 0.00 0.00 32.58 30.99 3dsm s HIS 340 CO 0.41 -0.44 0.72 0.72 -0.85 0.00 0.00 174.74 175.29