#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmx n THR 26 N 0.00 0.55 -3.16 2.61 5.66 -1.26 -4.76 114.28 113.92 1dmx n THR 26 Ca 0.00 -0.77 -0.19 0.00 -3.05 0.00 0.00 64.05 60.03 1dmx n THR 26 Cb 0.00 0.76 -0.03 0.00 -1.55 0.00 0.00 70.33 69.50 1dmx n THR 26 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1dmx n ARG 27 N -0.04 1.23 -3.80 1.09 1.74 -1.26 -4.82 116.66 110.79 1dmx n ARG 27 Ca 0.03 -3.55 -0.36 0.00 -0.77 0.00 0.00 57.85 53.20 1dmx n ARG 27 Cb 0.20 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 1dmx n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1dmx s GLN 28 N -2.49 3.54 0.25 5.56 -1.52 -1.26 -2.64 119.66 121.10 1dmx s GLN 28 Ca 0.41 -0.06 0.08 0.00 -1.95 0.00 0.00 55.36 53.83 1dmx s GLN 28 Cb 0.33 -3.15 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 1dmx s GLN 28 CO -0.09 0.72 0.12 -1.12 -0.25 0.00 0.00 175.29 174.67 1dmx s SER 29 N -1.33 5.15 0.73 5.90 0.01 -1.26 -4.64 113.70 118.27 1dmx s SER 29 Ca 0.21 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 57.05 1dmx s SER 29 Cb -0.13 -1.19 0.12 0.00 0.21 0.00 0.00 66.02 65.03 1dmx s SER 29 CO 0.10 -0.01 1.01 -2.16 0.41 0.00 0.00 173.24 172.59 1dmx s PRO 30 N -3.71 1.69 0.11 12.44 0.04 -1.26 -4.68 135.00 139.63 1dmx s PRO 30 Ca 0.32 -0.92 0.01 0.00 0.04 0.00 0.00 61.00 60.45 1dmx s PRO 30 Cb -0.07 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1dmx s PRO 30 CO 0.23 -1.47 -0.04 0.96 0.04 0.00 0.00 177.00 176.72 1dmx s ILE 31 N -3.20 0.62 -0.39 0.56 -4.36 -1.26 0.47 121.20 113.65 1dmx s ILE 31 Ca 0.66 -1.94 -0.26 0.00 -0.26 0.00 0.00 60.65 58.85 1dmx s ILE 31 Cb -0.06 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 41.88 1dmx s ILE 31 CO 0.45 -0.77 0.96 0.21 0.24 0.00 0.00 174.94 176.03 1dmx s ASN 32 N -3.06 6.68 -0.50 4.36 3.84 -1.26 -3.16 114.94 121.83 1dmx s ASN 32 Ca 0.15 0.56 -0.28 0.00 0.21 0.00 0.00 52.86 53.49 1dmx s ASN 32 Cb 0.06 -2.48 0.02 0.00 -0.55 0.00 0.00 41.25 38.29 1dmx s ASN 32 CO -0.03 -0.93 1.36 -0.63 -2.79 0.00 0.00 177.10 174.09 1dmx s ILE 33 N 3.63 3.90 -0.13 -5.21 1.01 0.20 -4.88 121.20 119.72 1dmx s ILE 33 Ca 0.40 0.85 -0.04 0.00 0.00 0.00 0.00 60.65 61.86 1dmx s ILE 33 Cb -0.11 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 1dmx s ILE 33 CO 0.21 -1.02 -0.01 -1.10 0.00 0.00 0.00 174.94 173.02 1dmx s GLN 34 N 5.13 3.47 0.28 2.79 -0.21 -1.26 0.21 119.66 130.07 1dmx s GLN 34 Ca 0.54 -0.45 -0.03 0.00 0.02 0.00 0.00 55.36 55.43 1dmx s GLN 34 Cb -0.11 -2.92 0.36 0.00 1.00 0.00 0.00 33.01 31.35 1dmx s GLN 34 CO 0.29 0.41 1.92 -1.49 -2.12 0.00 0.00 175.29 174.30 1dmx h TRP 35 N 6.15 1.09 0.00 0.91 4.06 -1.95 -2.12 115.95 124.09 1dmx h TRP 35 Ca -0.39 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1dmx h TRP 35 Cb 1.19 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1dmx h TRP 35 CO 0.57 0.73 0.00 0.36 -3.56 0.00 0.00 178.44 176.53 1dmx n LYS 36 N -4.37 0.00 0.00 0.49 2.85 -1.26 -1.22 118.16 114.65 1dmx n LYS 36 Ca 0.09 0.47 0.02 0.00 -1.05 0.00 0.00 58.31 57.85 1dmx n LYS 36 Cb 0.07 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 32.95 1dmx n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1dmx n ASP 37 N -1.48 1.02 -4.84 -5.58 8.00 -0.80 -5.02 116.55 107.85 1dmx n ASP 37 Ca 0.00 -1.01 -0.35 0.00 0.71 0.00 0.00 54.79 54.14 1dmx n ASP 37 Cb 0.00 0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 1dmx n ASP 37 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1dmx s SER 38 N -0.74 6.84 -0.07 -2.24 1.04 -0.36 -4.29 113.70 113.89 1dmx s SER 38 Ca 0.04 1.09 0.03 0.00 0.48 0.00 0.00 55.95 57.60 1dmx s SER 38 Cb 0.04 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1dmx s SER 38 CO 0.10 0.11 -0.17 0.68 0.98 0.00 0.00 173.24 174.94 1dmx s VAL 39 N -1.45 1.49 -0.07 5.02 -7.23 -0.57 -4.93 120.40 112.66 1dmx s VAL 39 Ca 0.37 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 1dmx s VAL 39 Cb -0.15 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1dmx s VAL 39 CO 0.19 0.43 1.42 -0.47 -0.31 0.00 0.00 175.10 176.36 1dmx s TYR 40 N 0.36 2.61 -0.44 2.82 5.04 -1.26 -0.69 117.35 125.79 1dmx s TYR 40 Ca -0.12 0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 55.14 1dmx s TYR 40 Cb -0.15 -3.67 0.09 0.00 0.35 0.00 0.00 41.96 38.58 1dmx s TYR 40 CO 0.05 -2.55 0.28 0.34 -1.34 0.00 0.00 175.55 172.33 1dmx s ASP 41 N 2.32 5.63 0.19 4.32 -1.08 -0.75 -4.89 116.67 122.41 1dmx s ASP 41 Ca 0.63 -1.68 0.22 0.00 -0.52 0.00 0.00 52.55 51.20 1dmx s ASP 41 Cb -0.28 -1.98 0.89 0.00 -1.46 0.00 0.00 42.92 40.08 1dmx s ASP 41 CO 0.23 -0.59 1.66 -0.81 0.52 0.00 0.00 175.17 176.18 1dmx n PRO 42 N 4.89 0.15 -0.14 4.34 -0.04 -1.26 -2.93 135.00 140.01 1dmx n PRO 42 Ca -0.09 0.37 0.04 0.00 -0.04 0.00 0.00 63.50 63.78 1dmx n PRO 42 Cb 0.42 -1.77 0.11 0.00 -0.04 0.00 0.00 33.50 32.21 1dmx n PRO 42 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1dmx n GLN 43 N -2.05 1.63 -2.62 0.54 -0.06 -1.26 -4.84 117.38 108.72 1dmx n GLN 43 Ca 0.03 -0.87 -0.43 0.00 -2.00 0.00 0.00 57.00 53.73 1dmx n GLN 43 Cb 0.22 -1.25 -0.02 0.00 -4.06 0.00 0.00 30.24 25.13 1dmx n GLN 43 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1dmx s LEU 44 N -0.99 4.13 0.61 1.69 1.43 -1.15 -5.02 118.68 119.39 1dmx s LEU 44 Ca 0.16 1.46 -0.18 0.00 -1.03 0.00 0.00 54.13 54.54 1dmx s LEU 44 Cb 0.09 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1dmx s LEU 44 CO 0.10 -0.66 1.15 0.00 0.23 0.00 0.00 176.35 177.17 1dmx s ALA 45 N 3.10 2.54 0.69 4.21 0.00 -1.23 -4.89 121.76 126.17 1dmx s ALA 45 Ca 0.46 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 1dmx s ALA 45 Cb -0.17 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1dmx s ALA 45 CO 0.09 -1.12 1.22 -2.30 0.00 0.00 0.00 175.76 173.64 1dmx n PRO 46 N -1.83 0.83 -3.21 0.00 -0.02 -1.26 -0.57 135.00 128.95 1dmx n PRO 46 Ca 0.12 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.54 1dmx n PRO 46 Cb 0.51 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 1dmx n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1dmx s LEU 47 N -4.33 4.06 -0.32 2.45 2.96 -1.26 -1.14 118.68 121.09 1dmx s LEU 47 Ca 0.79 0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 55.10 1dmx s LEU 47 Cb -0.36 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 1dmx s LEU 47 CO 0.44 -0.32 0.33 -0.60 -1.32 0.00 0.00 176.35 174.88 1dmx s ARG 48 N 2.36 3.67 -0.18 1.98 3.52 0.65 -4.88 118.95 126.07 1dmx s ARG 48 Ca 0.22 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1dmx s ARG 48 Cb -0.16 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.48 1dmx s ARG 48 CO 0.09 -0.44 -0.16 0.08 -0.81 0.00 0.00 175.30 174.06 1dmx s VAL 49 N 1.96 2.46 -0.23 7.11 1.01 -1.26 -1.83 120.40 129.62 1dmx s VAL 49 Ca 0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1dmx s VAL 49 Cb -0.16 -2.05 0.12 0.00 0.00 0.00 0.00 36.38 34.28 1dmx s VAL 49 CO 0.11 0.51 0.41 -0.94 0.00 0.00 0.00 175.10 175.19 1dmx s SER 50 N 1.15 -0.09 -0.04 3.32 1.04 -1.20 -5.08 113.70 112.79 1dmx s SER 50 Ca 0.01 0.62 0.02 0.00 0.48 0.00 0.00 55.95 57.08 1dmx s SER 50 Cb -0.14 1.29 -0.03 0.00 0.10 0.00 0.00 66.02 67.24 1dmx s SER 50 CO -0.07 -0.27 -0.09 -0.31 0.98 0.00 0.00 173.24 173.49 1dmx s TYR 51 N 2.60 2.85 -0.66 5.02 2.02 -1.26 -2.12 117.35 125.80 1dmx s TYR 51 Ca 0.07 -0.05 -0.24 0.00 -0.37 0.00 0.00 57.07 56.48 1dmx s TYR 51 Cb -0.14 -1.66 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1dmx s TYR 51 CO -0.15 0.30 1.05 0.34 -1.57 0.00 0.00 175.55 175.52 1dmx s ASP 52 N -0.94 6.20 0.49 2.29 2.15 -1.26 -4.90 116.67 120.69 1dmx s ASP 52 Ca 0.13 -0.72 0.18 0.00 0.43 0.00 0.00 52.55 52.58 1dmx s ASP 52 Cb -0.11 -2.46 1.21 0.00 -0.30 0.00 0.00 42.92 41.26 1dmx s ASP 52 CO 0.03 -1.51 2.02 0.00 -0.17 0.00 0.00 175.17 175.53 1dmx h ALA 53 N 9.64 2.19 0.00 3.66 0.00 -1.98 -1.23 119.26 131.54 1dmx h ALA 53 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1dmx h ALA 53 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1dmx h ALA 53 CO 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 180.13 1dmx n ALA 54 N -2.57 2.25 1.19 0.00 0.00 -1.26 -2.31 120.51 117.82 1dmx n ALA 54 Ca 0.07 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1dmx n ALA 54 Cb 0.41 -1.35 0.26 0.00 0.00 0.00 0.00 19.45 18.77 1dmx n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1dmx n SER 55 N -1.06 1.58 -4.74 0.00 3.41 -0.47 -4.93 113.62 107.42 1dmx n SER 55 Ca 0.15 -1.27 -0.37 0.00 -0.26 0.00 0.00 58.87 57.11 1dmx n SER 55 Cb 0.09 0.21 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1dmx n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dmx n ARG 57 N -1.64 0.00 -3.89 0.00 5.12 0.40 -4.81 116.66 111.83 1dmx n ARG 57 Ca 0.14 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.98 1dmx n ARG 57 Cb 0.47 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.69 1dmx n ARG 57 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1dmx s TYR 58 N -0.75 0.20 -0.04 -1.55 1.13 -1.19 -0.07 117.35 115.07 1dmx s TYR 58 Ca 0.00 -0.62 0.02 0.00 -1.41 0.00 0.00 57.07 55.06 1dmx s TYR 58 Cb 0.00 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.72 1dmx s TYR 58 CO 0.00 -0.50 -0.08 -1.17 -2.51 0.00 0.00 175.55 171.29 1dmx s LEU 59 N -2.76 3.11 0.06 -3.49 1.98 -0.01 -0.76 118.68 116.81 1dmx s LEU 59 Ca 0.04 -0.08 -0.14 0.00 -2.89 0.00 0.00 54.13 51.06 1dmx s LEU 59 Cb 0.04 -1.71 0.02 0.00 0.66 0.00 0.00 46.19 45.21 1dmx s LEU 59 CO -0.10 0.34 0.31 -1.66 -1.89 0.00 0.00 176.35 173.34 1dmx s TRP 60 N -0.85 -0.09 -0.17 5.38 1.48 -0.32 -0.63 118.94 123.74 1dmx s TRP 60 Ca 0.14 -0.11 -0.18 0.00 -1.06 0.00 0.00 56.10 54.89 1dmx s TRP 60 Cb -0.11 0.10 -0.04 0.00 -1.16 0.00 0.00 33.47 32.27 1dmx s TRP 60 CO 0.03 -0.54 0.48 1.21 -4.06 0.00 0.00 176.95 174.07 1dmx s ASN 61 N -2.27 6.59 0.08 -2.66 3.84 -0.45 -0.79 114.94 119.29 1dmx s ASN 61 Ca -0.03 0.71 0.23 0.00 0.21 0.00 0.00 52.86 53.98 1dmx s ASN 61 Cb 0.00 -2.28 0.01 0.00 -0.55 0.00 0.00 41.25 38.43 1dmx s ASN 61 CO -0.06 -0.09 0.98 0.35 -2.79 0.00 0.00 177.10 175.50 1dmx n THR 62 N 4.16 0.27 0.00 -5.21 -2.24 -0.06 -1.15 114.28 110.05 1dmx n THR 62 Ca -0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1dmx n THR 62 Cb 0.51 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1dmx n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dmx n GLY 63 N 1.31 2.05 0.84 3.38 0.00 -1.26 -4.59 105.19 106.92 1dmx n GLY 63 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1dmx n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1dmx n TYR 64 N -1.15 0.00 -3.27 1.61 9.36 -1.26 -4.60 117.16 117.84 1dmx n TYR 64 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1dmx n TYR 64 Cb 0.00 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 38.57 1dmx n TYR 64 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 1dmx n PHE 65 N -3.51 -0.04 -5.26 2.98 1.16 -1.26 -4.82 117.46 106.70 1dmx n PHE 65 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.21 1dmx n PHE 65 Cb 0.30 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.01 1dmx n PHE 65 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 1dmx s PHE 66 N -1.84 2.38 0.32 2.97 -0.12 -1.26 -0.88 117.98 119.54 1dmx s PHE 66 Ca 0.00 -0.46 0.09 0.00 -0.05 0.00 0.00 56.93 56.51 1dmx s PHE 66 Cb 0.00 -1.53 -0.05 0.00 -0.63 0.00 0.00 43.02 40.81 1dmx s PHE 66 CO 0.00 -0.05 0.03 -0.65 -0.05 0.00 0.00 175.22 174.50 1dmx s GLN 67 N -0.55 2.18 -0.20 1.99 -0.21 0.03 -3.91 119.66 119.00 1dmx s GLN 67 Ca 0.08 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 53.85 1dmx s GLN 67 Cb -0.11 -2.04 0.05 0.00 1.00 0.00 0.00 33.01 31.91 1dmx s GLN 67 CO -0.00 0.20 -0.08 0.08 -2.12 0.00 0.00 175.29 173.37 1dmx s VAL 68 N -2.44 1.48 -0.06 1.09 1.01 -0.17 -1.18 120.40 120.14 1dmx s VAL 68 Ca 0.34 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1dmx s VAL 68 Cb -0.03 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1dmx s VAL 68 CO 0.20 0.11 0.39 -0.70 0.00 0.00 0.00 175.10 175.10 1dmx s GLU 69 N 1.46 4.04 0.26 2.72 2.56 0.06 -1.80 118.70 128.00 1dmx s GLU 69 Ca -0.01 0.34 0.11 0.00 0.00 0.00 0.00 54.97 55.40 1dmx s GLU 69 Cb -0.16 -3.30 -0.05 0.00 2.00 0.00 0.00 34.13 32.62 1dmx s GLU 69 CO -0.08 0.51 -0.15 -0.06 -0.56 0.00 0.00 175.26 174.92 1dmx s PHE 70 N -0.46 2.42 -0.58 5.30 0.40 -0.47 -0.45 117.98 124.14 1dmx s PHE 70 Ca 0.22 -0.30 -0.25 0.00 -0.60 0.00 0.00 56.93 56.01 1dmx s PHE 70 Cb -0.15 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.33 1dmx s PHE 70 CO 0.11 0.65 0.99 0.34 0.70 0.00 0.00 175.22 178.01 1dmx s ASP 71 N -3.38 6.32 -0.13 1.36 2.15 0.54 -4.86 116.67 118.67 1dmx s ASP 71 Ca 0.29 -0.40 0.04 0.00 0.43 0.00 0.00 52.55 52.91 1dmx s ASP 71 Cb -0.06 -2.45 0.31 0.00 -0.30 0.00 0.00 42.92 40.42 1dmx s ASP 71 CO 0.16 -1.32 1.14 -0.90 -0.17 0.00 0.00 175.17 174.07 1dmx n ASP 72 N 7.73 3.06 0.01 -0.34 5.75 -1.26 -3.80 116.55 127.69 1dmx n ASP 72 Ca 0.02 -2.48 -0.08 0.00 -0.01 0.00 0.00 54.79 52.24 1dmx n ASP 72 Cb 0.47 -0.60 -0.13 0.00 -1.03 0.00 0.00 41.12 39.83 1dmx n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1dmx h SER 73 N 1.18 0.00 -0.70 -1.12 4.64 -1.94 -3.42 113.55 112.21 1dmx h SER 73 Ca 0.09 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.14 1dmx h SER 73 Cb 1.34 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.38 1dmx h SER 73 CO 0.29 1.01 0.67 0.00 -0.87 0.00 0.00 176.83 177.92 1dmx h GLU 75 N 11.49 0.00 0.00 0.00 4.57 -1.93 -0.91 114.58 127.81 1dmx h GLU 75 Ca 0.08 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1dmx h GLU 75 Cb 1.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1dmx h GLU 75 CO 1.19 0.00 -0.22 0.38 -1.18 0.00 0.00 179.01 179.17 1dmx h ASP 76 N 0.00 0.00 -3.50 1.04 3.04 -1.97 -3.42 116.42 111.61 1dmx h ASP 76 Ca 0.03 0.00 -0.61 0.00 -3.24 0.00 0.00 57.03 53.21 1dmx h ASP 76 Cb 0.70 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 38.88 1dmx h ASP 76 CO -0.00 0.22 0.02 -0.55 -2.04 0.00 0.00 179.24 176.89 1dmx s SER 77 N -6.68 6.53 0.00 4.15 0.15 -0.35 -4.73 113.70 112.78 1dmx s SER 77 Ca -0.03 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1dmx s SER 77 Cb 0.14 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1dmx s SER 77 CO 0.67 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1dmx n GLY 78 N 4.09 -0.62 3.24 9.45 0.00 -0.90 -3.05 105.19 117.40 1dmx n GLY 78 Ca -0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1dmx n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dmx s ILE 79 N -4.00 0.05 0.36 -0.61 2.07 0.18 -3.26 121.20 116.00 1dmx s ILE 79 Ca 0.00 -0.44 -0.14 0.00 -1.41 0.00 0.00 60.65 58.66 1dmx s ILE 79 Cb 0.00 -0.62 0.04 0.00 0.13 0.00 0.00 42.46 42.02 1dmx s ILE 79 CO 0.00 -0.24 0.73 -0.94 -1.91 0.00 0.00 174.94 172.58 1dmx s SER 80 N -1.25 0.10 0.00 4.50 1.04 -0.76 0.11 113.70 117.44 1dmx s SER 80 Ca -0.13 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1dmx s SER 80 Cb -0.05 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1dmx s SER 80 CO 0.04 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.29 1dmx n GLY 81 N -0.52 -1.39 7.00 7.32 0.00 -1.26 -0.26 105.19 116.08 1dmx n GLY 81 Ca -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1dmx n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmx n GLY 82 N 0.00 3.05 1.20 -0.02 0.00 0.26 -1.32 105.19 108.37 1dmx n GLY 82 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1dmx n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dmx n PRO 83 N 14.00 2.92 -3.58 1.61 -0.04 -1.26 -3.56 135.00 145.09 1dmx n PRO 83 Ca 0.00 -2.05 -0.36 0.00 -0.04 0.00 0.00 63.50 61.05 1dmx n PRO 83 Cb 0.00 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.70 1dmx n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dmx s LEU 84 N -1.43 4.27 0.49 1.53 1.43 -0.43 -4.99 118.68 119.56 1dmx s LEU 84 Ca 0.37 0.53 0.28 0.00 -1.03 0.00 0.00 54.13 54.27 1dmx s LEU 84 Cb 0.23 -2.35 1.16 0.00 0.03 0.00 0.00 46.19 45.26 1dmx s LEU 84 CO 0.18 0.15 1.92 1.23 0.23 0.00 0.00 176.35 180.06 1dmx h GLY 85 N 6.36 0.00 0.00 -3.19 0.00 -1.92 -3.38 103.07 100.94 1dmx h GLY 85 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1dmx h GLY 85 CO 0.73 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.43 1dmx n ASN 86 N -3.30 0.00 -4.76 0.19 6.94 -1.26 -5.03 115.26 108.03 1dmx n ASN 86 Ca 0.00 -0.90 -0.40 0.00 -0.02 0.00 0.00 54.58 53.26 1dmx n ASN 86 Cb 0.36 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.72 1dmx n ASN 86 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1dmx s HIS 87 N -5.89 3.96 -0.13 -2.53 5.65 -1.26 -4.51 115.29 110.58 1dmx s HIS 87 Ca 0.00 1.81 0.03 0.00 0.25 0.00 0.00 55.06 57.15 1dmx s HIS 87 Cb 0.00 -2.90 0.01 0.00 -1.18 0.00 0.00 32.58 28.51 1dmx s HIS 87 CO 0.00 0.48 -0.21 0.71 -0.65 0.00 0.00 174.74 175.07 1dmx s TYR 88 N -1.16 2.55 0.18 3.88 1.51 0.30 -3.94 117.35 120.67 1dmx s TYR 88 Ca 0.39 -1.23 -0.30 0.00 -1.01 0.00 0.00 57.07 54.92 1dmx s TYR 88 Cb -0.25 -1.74 -0.08 0.00 -0.11 0.00 0.00 41.96 39.79 1dmx s TYR 88 CO 0.30 -0.56 1.11 1.03 -1.11 0.00 0.00 175.55 176.32 1dmx s ARG 89 N 0.74 4.59 0.02 -0.62 0.52 0.39 0.49 118.95 125.08 1dmx s ARG 89 Ca -0.09 1.73 -0.30 0.00 -0.52 0.00 0.00 55.73 56.54 1dmx s ARG 89 Cb -0.16 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.98 1dmx s ARG 89 CO 0.00 0.07 1.40 -1.17 0.02 0.00 0.00 175.30 175.62 1dmx s LEU 90 N -0.38 4.33 -0.19 2.53 2.96 -1.17 -0.61 118.68 126.14 1dmx s LEU 90 Ca 0.49 2.14 -0.12 0.00 -0.22 0.00 0.00 54.13 56.42 1dmx s LEU 90 Cb -0.30 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.75 1dmx s LEU 90 CO 0.35 -0.71 -0.29 1.17 -1.32 0.00 0.00 176.35 175.56 1dmx n LYS 91 N 5.15 0.46 -3.82 1.98 3.00 0.68 -4.49 118.16 121.13 1dmx n LYS 91 Ca 0.13 0.20 -0.06 0.00 -0.00 0.00 0.00 58.31 58.58 1dmx n LYS 91 Cb 0.43 -1.29 -0.00 0.00 0.00 0.00 0.00 35.03 34.17 1dmx n LYS 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1dmx s GLN 92 N -2.52 1.62 -0.06 1.64 1.03 -1.19 -1.37 119.66 118.80 1dmx s GLN 92 Ca -0.29 -0.95 -0.09 0.00 0.04 0.00 0.00 55.36 54.07 1dmx s GLN 92 Cb 0.09 0.51 0.02 0.00 0.03 0.00 0.00 33.01 33.66 1dmx s GLN 92 CO 0.38 -0.75 0.22 -0.59 -2.54 0.00 0.00 175.29 172.02 1dmx s PHE 93 N -3.10 -0.18 0.30 9.60 -0.12 -0.74 -0.95 117.98 122.78 1dmx s PHE 93 Ca 0.14 0.40 0.06 0.00 -0.05 0.00 0.00 56.93 57.48 1dmx s PHE 93 Cb -0.04 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 1dmx s PHE 93 CO 0.06 -0.20 0.23 -2.39 -0.05 0.00 0.00 175.22 172.86 1dmx n HIS 94 N 2.35 -0.56 -4.20 3.49 1.44 -0.90 -1.00 115.22 115.85 1dmx n HIS 94 Ca -0.16 -2.40 -0.12 0.00 -2.01 0.00 0.00 57.72 53.03 1dmx n HIS 94 Cb 0.57 0.21 -0.10 0.00 0.12 0.00 0.00 29.99 30.80 1dmx n HIS 94 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1dmx s PHE 95 N -3.13 1.02 0.08 -1.40 0.40 -1.25 -0.68 117.98 113.02 1dmx s PHE 95 Ca 0.32 -1.04 0.05 0.00 -0.60 0.00 0.00 56.93 55.67 1dmx s PHE 95 Cb 0.02 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.93 1dmx s PHE 95 CO 0.23 -0.26 -0.15 -1.01 0.70 0.00 0.00 175.22 174.73 1dmx s HIS 96 N -3.74 1.29 0.35 0.36 3.76 -0.33 -4.62 115.29 112.36 1dmx s HIS 96 Ca 0.20 -0.47 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 1dmx s HIS 96 Cb 0.06 -0.71 0.06 0.00 1.11 0.00 0.00 32.58 33.09 1dmx s HIS 96 CO 0.00 0.08 0.82 1.67 -0.85 0.00 0.00 174.74 176.47 1dmx s TRP 97 N -1.41 0.09 0.45 1.40 -2.14 -1.21 -2.19 118.94 113.93 1dmx s TRP 97 Ca 0.00 -0.72 0.03 0.00 2.66 0.00 0.00 56.10 58.07 1dmx s TRP 97 Cb -0.09 0.81 -0.03 0.00 -3.10 0.00 0.00 33.47 31.06 1dmx s TRP 97 CO 0.02 -1.46 0.05 0.20 -2.66 0.00 0.00 176.95 173.11 1dmx s GLY 98 N -3.11 2.74 0.54 3.67 0.00 -1.17 -1.82 107.32 108.18 1dmx s GLY 98 Ca 0.16 -1.03 0.33 0.00 0.00 0.00 0.00 44.72 44.18 1dmx s GLY 98 CO 0.10 -2.02 1.98 0.00 0.00 0.00 0.00 173.10 173.16 1dmx h ALA 99 N 1.62 1.02 -2.23 3.20 0.00 -1.89 -3.41 119.26 117.56 1dmx h ALA 99 Ca -0.41 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 53.93 1dmx h ALA 99 Cb 1.29 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1dmx h ALA 99 CO 0.68 0.05 -0.49 0.95 0.00 0.00 0.00 179.25 180.44 1dmx s THR 100 N -3.71 0.25 -0.88 0.00 -4.23 -1.26 -5.04 115.64 100.77 1dmx s THR 100 Ca 0.01 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 1dmx s THR 100 Cb 0.09 -2.38 0.26 0.00 1.34 0.00 0.00 72.50 71.81 1dmx s THR 100 CO 0.55 0.00 1.85 0.47 -0.54 0.00 0.00 174.62 176.95 1dmx n ASP 101 N -1.56 0.38 0.23 3.99 8.00 -1.26 -3.67 116.55 122.66 1dmx n ASP 101 Ca 0.01 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.15 1dmx n ASP 101 Cb 0.63 -0.62 0.48 0.00 -0.02 0.00 0.00 41.12 41.59 1dmx n ASP 101 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1dmx h GLU 102 N 0.00 0.00 -3.57 -1.24 5.08 -1.94 -3.33 114.58 109.58 1dmx h GLU 102 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1dmx h GLU 102 Cb 0.61 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1dmx h GLU 102 CO 0.00 0.16 -0.10 1.67 -1.00 0.00 0.00 179.01 179.74 1dmx s TRP 103 N -3.59 0.20 0.00 4.33 -2.14 -1.24 -4.73 118.94 111.77 1dmx s TRP 103 Ca 0.01 -0.56 0.00 0.00 2.66 0.00 0.00 56.10 58.21 1dmx s TRP 103 Cb 0.09 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.69 1dmx s TRP 103 CO 0.62 -0.92 0.00 0.41 -2.66 0.00 0.00 176.95 174.40 1dmx n GLY 104 N -0.34 0.64 3.79 3.67 0.00 -1.10 -3.03 105.19 108.82 1dmx n GLY 104 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1dmx n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dmx s SER 105 N 0.00 5.60 -0.16 1.61 1.04 0.13 -3.33 113.70 118.59 1dmx s SER 105 Ca 0.00 1.91 -0.23 0.00 0.48 0.00 0.00 55.95 58.11 1dmx s SER 105 Cb 0.00 -2.54 -0.21 0.00 0.10 0.00 0.00 66.02 63.37 1dmx s SER 105 CO 0.00 -1.29 0.48 -0.33 0.98 0.00 0.00 173.24 173.08 1dmx h GLU 106 N 0.45 0.00 -7.15 4.02 5.08 -1.89 -3.46 114.58 111.63 1dmx h GLU 106 Ca -0.47 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.39 1dmx h GLU 106 Cb 1.23 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.52 1dmx h GLU 106 CO 0.56 0.88 0.30 -1.01 -1.00 0.00 0.00 179.01 178.75 1dmx s HIS 107 N -2.22 3.54 0.09 4.33 3.76 -1.26 -4.61 115.29 118.92 1dmx s HIS 107 Ca -0.21 1.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.98 1dmx s HIS 107 Cb 0.00 -2.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 1dmx s HIS 107 CO 0.58 -0.43 -0.15 0.00 -0.85 0.00 0.00 174.74 173.89 1dmx s ALA 108 N -2.80 1.39 -0.25 -1.40 0.00 -1.19 -4.64 121.76 112.86 1dmx s ALA 108 Ca 0.54 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1dmx s ALA 108 Cb -0.10 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1dmx s ALA 108 CO 0.42 0.19 -0.12 0.08 0.00 0.00 0.00 175.76 176.33 1dmx s VAL 109 N -1.49 2.14 -1.34 0.00 1.01 -0.41 0.59 120.40 120.91 1dmx s VAL 109 Ca 0.03 -1.57 -0.05 0.00 0.00 0.00 0.00 61.98 60.39 1dmx s VAL 109 Cb -0.09 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1dmx s VAL 109 CO 0.03 0.02 0.69 0.47 0.00 0.00 0.00 175.10 176.30 1dmx n ASP 110 N 4.45 -5.73 -0.21 3.32 8.00 0.13 -1.03 116.55 125.48 1dmx n ASP 110 Ca -0.15 -0.32 -0.03 0.00 0.71 0.00 0.00 54.79 55.01 1dmx n ASP 110 Cb 0.43 -4.50 -0.01 0.00 -0.02 0.00 0.00 41.12 37.01 1dmx n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmx n GLY 111 N -1.56 0.56 3.51 0.44 0.00 -1.26 -5.00 105.19 101.88 1dmx n GLY 111 Ca -0.07 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1dmx n GLY 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dmx s HIS 112 N -1.90 3.11 -0.03 1.61 5.04 -0.20 -5.04 115.29 117.89 1dmx s HIS 112 Ca 0.00 -0.26 -0.03 0.00 -1.54 0.00 0.00 55.06 53.23 1dmx s HIS 112 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 32.58 30.47 1dmx s HIS 112 CO 0.00 -0.12 0.18 0.95 -2.34 0.00 0.00 174.74 173.40 1dmx s THR 113 N 0.89 5.44 0.20 0.89 -4.23 -1.26 -1.28 115.64 116.29 1dmx s THR 113 Ca 0.02 -0.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.47 1dmx s THR 113 Cb -0.14 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1dmx s THR 113 CO 0.02 0.37 0.26 -0.31 -0.54 0.00 0.00 174.62 174.42 1dmx s TYR 114 N -1.28 3.33 0.04 3.99 1.51 -1.26 -4.81 117.35 118.87 1dmx s TYR 114 Ca 0.25 0.00 0.26 0.00 -1.01 0.00 0.00 57.07 56.58 1dmx s TYR 114 Cb -0.13 -1.55 1.44 0.00 -0.11 0.00 0.00 41.96 41.61 1dmx s TYR 114 CO 0.17 0.50 1.80 -1.00 -1.11 0.00 0.00 175.55 175.90 1dmx h PRO 115 N 1.78 0.00 -2.79 -1.71 0.13 -1.68 0.38 132.00 128.11 1dmx h PRO 115 Ca -0.49 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1dmx h PRO 115 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1dmx h PRO 115 CO 0.64 0.00 0.44 0.00 -0.23 0.00 0.00 178.00 178.84 1dmx s ALA 116 N -3.69 -1.14 -0.29 -0.56 0.00 -1.25 -3.57 121.76 111.27 1dmx s ALA 116 Ca -0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1dmx s ALA 116 Cb 0.08 0.72 0.12 0.00 0.00 0.00 0.00 23.12 24.04 1dmx s ALA 116 CO 0.24 -1.02 0.78 -2.00 0.00 0.00 0.00 175.76 173.75 1dmx s GLU 117 N -2.07 0.54 0.18 0.00 2.12 -0.93 -2.56 118.70 115.97 1dmx s GLU 117 Ca 0.20 1.13 -0.11 0.00 0.36 0.00 0.00 54.97 56.54 1dmx s GLU 117 Cb -0.04 0.43 -0.07 0.00 0.26 0.00 0.00 34.13 34.71 1dmx s GLU 117 CO 0.09 -0.15 0.52 -1.17 -0.54 0.00 0.00 175.26 174.01 1dmx s LEU 118 N 2.15 4.26 -0.19 2.70 2.96 0.67 -1.19 118.68 130.04 1dmx s LEU 118 Ca -0.07 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 54.76 1dmx s LEU 118 Cb -0.07 -3.42 0.06 0.00 0.50 0.00 0.00 46.19 43.25 1dmx s LEU 118 CO -0.18 0.03 0.02 -1.00 -1.32 0.00 0.00 176.35 173.89 1dmx s HIS 119 N -1.63 1.24 -0.34 5.38 3.76 0.14 -1.30 115.29 122.54 1dmx s HIS 119 Ca 0.42 -0.97 -0.17 0.00 -0.15 0.00 0.00 55.06 54.19 1dmx s HIS 119 Cb -0.13 -1.11 -0.01 0.00 1.11 0.00 0.00 32.58 32.44 1dmx s HIS 119 CO 0.20 -0.62 0.46 -0.51 -0.85 0.00 0.00 174.74 173.42 1dmx s LEU 120 N 1.78 4.36 -0.20 0.89 2.01 -0.62 -2.11 118.68 124.79 1dmx s LEU 120 Ca -0.01 -0.07 -0.07 0.00 0.01 0.00 0.00 54.13 53.98 1dmx s LEU 120 Cb -0.17 -2.51 -0.04 0.00 0.01 0.00 0.00 46.19 43.49 1dmx s LEU 120 CO -0.08 -0.42 0.07 0.68 1.01 0.00 0.00 176.35 177.61 1dmx s VAL 121 N 2.27 4.66 0.16 -1.59 -7.23 -0.13 -1.73 120.40 116.80 1dmx s VAL 121 Ca 0.16 -0.07 0.11 0.00 -1.81 0.00 0.00 61.98 60.37 1dmx s VAL 121 Cb -0.16 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1dmx s VAL 121 CO 0.13 0.42 -0.26 -1.00 -0.31 0.00 0.00 175.10 174.08 1dmx s HIS 122 N 0.78 2.29 0.13 2.82 0.09 -0.28 -0.23 115.29 120.89 1dmx s HIS 122 Ca 0.04 -0.37 0.08 0.00 -0.00 0.00 0.00 55.06 54.81 1dmx s HIS 122 Cb -0.13 -1.20 -0.04 0.00 -0.00 0.00 0.00 32.58 31.21 1dmx s HIS 122 CO 0.02 0.41 -0.20 1.67 -0.00 0.00 0.00 174.74 176.64 1dmx s TRP 123 N -1.33 1.78 -0.84 1.40 1.48 0.22 -0.46 118.94 121.19 1dmx s TRP 123 Ca 0.17 -0.44 -0.25 0.00 -1.06 0.00 0.00 56.10 54.51 1dmx s TRP 123 Cb -0.09 -0.94 -0.02 0.00 -1.16 0.00 0.00 33.47 31.26 1dmx s TRP 123 CO 0.08 0.25 1.80 1.21 -4.06 0.00 0.00 176.95 176.22 1dmx s ASN 124 N -2.22 5.46 0.46 -2.66 3.84 -0.26 -0.46 114.94 119.10 1dmx s ASN 124 Ca 0.10 -0.53 0.31 0.00 0.21 0.00 0.00 52.86 52.95 1dmx s ASN 124 Cb -0.08 -2.55 1.32 0.00 -0.55 0.00 0.00 41.25 39.38 1dmx s ASN 124 CO 0.05 -2.39 1.92 0.77 -2.79 0.00 0.00 177.10 174.65 1dmx h SER 125 N 11.88 0.00 0.23 -4.21 4.64 -1.77 -0.68 113.55 123.65 1dmx h SER 125 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 1dmx h SER 125 Cb 1.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 1dmx h SER 125 CO 1.25 0.00 -1.97 0.35 -0.87 0.00 0.00 176.83 175.59 1dmx n THR 126 N -2.79 1.67 0.04 2.95 -2.24 -1.26 -4.34 114.28 108.30 1dmx n THR 126 Ca 0.01 -0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 60.98 1dmx n THR 126 Cb 0.25 -1.36 -0.13 0.00 -2.10 0.00 0.00 70.33 66.99 1dmx n THR 126 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1dmx h LYS 127 N 0.03 0.06 -6.33 -0.78 6.56 -1.93 -3.46 116.57 110.74 1dmx h LYS 127 Ca -0.40 -0.11 -0.69 0.00 -1.06 0.00 0.00 60.65 58.39 1dmx h LYS 127 Cb 2.03 0.04 -0.31 0.00 -0.57 0.00 0.00 32.23 33.43 1dmx h LYS 127 CO 0.06 0.89 -0.89 0.71 -2.06 0.00 0.00 179.45 178.17 1dmx s TYR 128 N -2.66 2.34 0.30 -1.35 2.02 -0.27 -5.03 117.35 112.70 1dmx s TYR 128 Ca -0.03 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1dmx s TYR 128 Cb 0.09 -1.52 0.48 0.00 -0.40 0.00 0.00 41.96 40.61 1dmx s TYR 128 CO 0.83 -0.11 1.76 1.49 -1.57 0.00 0.00 175.55 177.95 1dmx h GLU 129 N 5.73 0.42 -3.89 -0.62 4.81 -1.84 -3.39 114.58 115.80 1dmx h GLU 129 Ca -0.38 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 58.57 1dmx h GLU 129 Cb 1.14 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.40 1dmx h GLU 129 CO 0.47 0.63 -0.21 0.54 -0.73 0.00 0.00 179.01 179.71 1dmx s ASN 130 N -6.82 0.14 0.28 1.04 4.22 -1.26 -5.06 114.94 107.48 1dmx s ASN 130 Ca -0.06 -1.12 0.03 0.00 -2.14 0.00 0.00 52.86 49.56 1dmx s ASN 130 Cb 0.14 0.57 0.40 0.00 1.28 0.00 0.00 41.25 43.64 1dmx s ASN 130 CO 0.78 -1.13 1.71 0.22 -2.04 0.00 0.00 177.10 176.64 1dmx h TYR 131 N 2.29 0.52 -0.46 1.54 3.20 -1.97 -2.07 116.97 120.03 1dmx h TYR 131 Ca -0.28 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1dmx h TYR 131 Cb 1.25 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1dmx h TYR 131 CO 0.61 0.70 0.30 0.87 -1.64 0.00 0.00 178.16 179.01 1dmx h LYS 132 N 0.41 0.61 0.00 1.82 6.56 -2.00 -1.54 116.57 122.43 1dmx h LYS 132 Ca 0.06 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.51 1dmx h LYS 132 Cb 0.69 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1dmx h LYS 132 CO 0.05 0.41 -0.55 0.87 -2.06 0.00 0.00 179.45 178.17 1dmx h LYS 133 N 0.62 0.00 -0.27 3.15 1.79 -1.98 -3.23 116.57 116.64 1dmx h LYS 133 Ca 0.17 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1dmx h LYS 133 Cb -0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1dmx h LYS 133 CO -0.04 0.45 -0.03 0.00 -1.08 0.00 0.00 179.45 178.75 1dmx h ALA 134 N 1.53 0.37 -1.13 3.86 0.00 -1.22 -2.24 119.26 120.43 1dmx h ALA 134 Ca -0.02 -0.25 0.32 0.00 0.00 0.00 0.00 54.91 54.97 1dmx h ALA 134 Cb 1.37 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1dmx h ALA 134 CO 0.06 0.14 0.80 0.77 0.00 0.00 0.00 179.25 181.02 1dmx h SER 135 N 0.27 0.10 -0.00 0.00 0.02 -1.30 -1.58 113.55 111.06 1dmx h SER 135 Ca 0.07 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1dmx h SER 135 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1dmx h SER 135 CO 0.02 0.01 -0.43 1.33 -1.14 0.00 0.00 176.83 176.62 1dmx n VAL 136 N -4.29 0.00 -2.31 2.27 0.24 -1.18 -4.62 118.33 108.44 1dmx n VAL 136 Ca 0.25 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 1dmx n VAL 136 Cb 1.15 1.03 0.07 0.00 -1.47 0.00 0.00 33.84 34.61 1dmx n VAL 136 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1dmx s GLY 137 N -1.87 1.73 0.31 7.63 0.00 -0.59 -4.81 107.32 109.72 1dmx s GLY 137 Ca 0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 1dmx s GLY 137 CO 0.40 -0.67 1.17 1.85 0.00 0.00 0.00 173.10 175.85 1dmx s GLU 138 N -5.15 4.47 -1.62 2.90 2.56 -1.26 -2.74 118.70 117.85 1dmx s GLU 138 Ca 0.60 1.93 -0.14 0.00 0.00 0.00 0.00 54.97 57.35 1dmx s GLU 138 Cb -0.10 -3.07 0.12 0.00 2.00 0.00 0.00 34.13 33.08 1dmx s GLU 138 CO 0.43 0.01 0.73 0.09 -0.56 0.00 0.00 175.26 175.97 1dmx n ASN 139 N 0.89 -2.83 0.08 -1.70 3.02 -1.26 -4.85 115.26 108.62 1dmx n ASN 139 Ca 0.00 -0.99 0.05 0.00 -0.03 0.00 0.00 54.58 53.61 1dmx n ASN 139 Cb 0.44 -2.93 -0.03 0.00 -0.61 0.00 0.00 39.78 36.65 1dmx n ASN 139 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1dmx h GLY 140 N -1.64 0.00 -3.08 7.41 0.00 -1.16 -3.43 103.07 101.17 1dmx h GLY 140 Ca -0.60 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 1dmx h GLY 140 CO 0.74 0.00 -0.59 1.08 0.00 0.00 0.00 176.54 177.77 1dmx s LEU 141 N -5.72 1.97 -0.06 3.11 1.43 0.08 -1.10 118.68 118.40 1dmx s LEU 141 Ca -0.01 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 1dmx s LEU 141 Cb 0.09 0.46 0.03 0.00 0.03 0.00 0.00 46.19 46.79 1dmx s LEU 141 CO 0.79 -0.68 0.01 0.00 0.23 0.00 0.00 176.35 176.69 1dmx s ALA 142 N -3.95 0.56 -0.07 4.21 0.00 0.39 -1.43 121.76 121.47 1dmx s ALA 142 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1dmx s ALA 142 Cb 0.07 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 1dmx s ALA 142 CO -0.06 -0.37 -0.22 0.08 0.00 0.00 0.00 175.76 175.19 1dmx s VAL 143 N 1.77 1.87 -0.04 0.00 1.01 -0.70 -1.13 120.40 123.18 1dmx s VAL 143 Ca 0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1dmx s VAL 143 Cb -0.13 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1dmx s VAL 143 CO -0.04 0.52 0.32 -0.63 0.00 0.00 0.00 175.10 175.27 1dmx s ILE 144 N 0.17 5.19 -0.13 2.22 1.01 -0.71 -0.46 121.20 128.50 1dmx s ILE 144 Ca -0.12 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1dmx s ILE 144 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1dmx s ILE 144 CO 0.06 0.58 -0.22 -0.83 0.00 0.00 0.00 174.94 174.53 1dmx s GLY 145 N -1.09 1.37 -0.14 6.18 0.00 0.65 -1.59 107.32 112.69 1dmx s GLY 145 Ca 0.21 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.90 1dmx s GLY 145 CO 0.10 -0.12 -0.18 0.14 0.00 0.00 0.00 173.10 173.04 1dmx s VAL 146 N 0.65 1.82 0.41 1.40 1.01 -0.42 -1.10 120.40 124.18 1dmx s VAL 146 Ca -0.11 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 1dmx s VAL 146 Cb -0.16 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 1dmx s VAL 146 CO 0.02 0.50 0.98 -0.36 0.00 0.00 0.00 175.10 176.25 1dmx s PHE 147 N 1.11 3.32 -0.06 5.22 0.08 -1.26 -0.24 117.98 126.15 1dmx s PHE 147 Ca -0.02 1.64 0.05 0.00 0.12 0.00 0.00 56.93 58.73 1dmx s PHE 147 Cb -0.14 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1dmx s PHE 147 CO -0.06 -0.27 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.06 1dmx s LEU 148 N -2.91 2.31 0.15 -0.37 1.43 -1.06 -2.03 118.68 116.20 1dmx s LEU 148 Ca 0.60 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1dmx s LEU 148 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1dmx s LEU 148 CO 0.19 0.26 -0.09 -1.59 0.23 0.00 0.00 176.35 175.35 1dmx s LYS 149 N -0.23 1.06 0.27 1.70 -2.85 -0.54 -3.74 119.74 115.42 1dmx s LYS 149 Ca -0.01 -1.46 -0.29 0.00 -1.00 0.00 0.00 55.97 53.21 1dmx s LYS 149 Cb -0.13 -0.57 -0.09 0.00 -2.06 0.00 0.00 37.83 34.97 1dmx s LYS 149 CO 0.03 0.05 1.01 -0.51 0.10 0.00 0.00 175.35 176.03 1dmx s LEU 150 N -3.17 4.55 0.00 2.77 2.01 -1.26 -0.91 118.68 122.68 1dmx s LEU 150 Ca 0.17 2.08 0.00 0.00 0.01 0.00 0.00 54.13 56.39 1dmx s LEU 150 Cb 0.03 -3.69 0.00 0.00 0.01 0.00 0.00 46.19 42.54 1dmx s LEU 150 CO 0.01 -0.02 0.00 0.61 1.01 0.00 0.00 176.35 177.95 1dmx n GLY 151 N 1.22 0.08 3.80 -3.19 0.00 0.23 -4.76 105.19 102.56 1dmx n GLY 151 Ca -0.01 0.46 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 1dmx n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmx s ALA 152 N -1.00 2.44 0.21 4.61 0.00 -1.26 -4.21 121.76 122.55 1dmx s ALA 152 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 1dmx s ALA 152 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1dmx s ALA 152 CO 0.00 -1.51 1.28 -1.58 0.00 0.00 0.00 175.76 173.95 1dmx s HIS 153 N -3.01 3.28 -0.35 0.00 2.46 -1.26 -2.22 115.29 114.19 1dmx s HIS 153 Ca 0.60 1.30 -0.09 0.00 0.47 0.00 0.00 55.06 57.33 1dmx s HIS 153 Cb -0.15 -3.56 0.02 0.00 -0.13 0.00 0.00 32.58 28.76 1dmx s HIS 153 CO 0.55 -1.69 0.16 -1.58 -2.47 0.00 0.00 174.74 169.71 1dmx s HIS 154 N -0.10 3.23 0.12 3.88 5.04 -1.26 -4.86 115.29 121.33 1dmx s HIS 154 Ca 0.55 -1.02 -0.32 0.00 -1.54 0.00 0.00 55.06 52.72 1dmx s HIS 154 Cb -0.36 -2.37 -0.11 0.00 0.04 0.00 0.00 32.58 29.79 1dmx s HIS 154 CO 0.39 -0.63 1.57 1.96 -2.34 0.00 0.00 174.74 175.69 1dmx h GLN 155 N 8.35 -0.60 -0.69 2.88 7.50 -1.94 -2.60 115.11 128.01 1dmx h GLN 155 Ca -0.26 0.04 -0.02 0.00 0.50 0.00 0.00 58.65 58.91 1dmx h GLN 155 Cb 1.11 0.14 -0.03 0.00 0.05 0.00 0.00 27.48 28.74 1dmx h GLN 155 CO 0.64 -0.40 0.36 0.00 -1.50 0.00 0.00 178.83 177.93 1dmx h ALA 156 N -0.22 1.33 -0.92 3.87 0.00 -1.95 -2.16 119.26 119.22 1dmx h ALA 156 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1dmx h ALA 156 Cb 0.69 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1dmx h ALA 156 CO -0.35 0.53 0.61 1.25 0.00 0.00 0.00 179.25 181.29 1dmx h LEU 157 N 0.97 1.05 -1.93 0.00 6.46 -1.87 -2.27 115.31 117.72 1dmx h LEU 157 Ca 0.24 -0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.12 1dmx h LEU 157 Cb 0.05 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 1dmx h LEU 157 CO -0.04 0.76 0.37 -0.61 -0.62 0.00 0.00 178.44 178.31 1dmx h GLN 158 N 1.24 0.07 -0.48 1.25 5.75 -0.99 0.12 115.11 122.07 1dmx h GLN 158 Ca 0.34 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.85 1dmx h GLN 158 Cb -0.14 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1dmx h GLN 158 CO -0.07 0.05 0.32 0.87 -2.65 0.00 0.00 178.83 177.34 1dmx h LYS 159 N 0.07 0.57 0.04 1.69 1.57 -1.48 0.43 116.57 119.46 1dmx h LYS 159 Ca 0.25 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1dmx h LYS 159 Cb 0.90 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1dmx h LYS 159 CO -0.02 0.38 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.65 1dmx h LEU 160 N 0.59 0.14 -1.15 2.94 4.07 -0.95 -3.31 115.31 117.64 1dmx h LEU 160 Ca 0.18 -0.90 0.25 0.00 0.08 0.00 0.00 57.88 57.50 1dmx h LEU 160 Cb 0.02 -0.05 -0.11 0.00 1.08 0.00 0.00 40.66 41.61 1dmx h LEU 160 CO -0.04 1.22 0.63 0.58 -1.08 0.00 0.00 178.44 179.75 1dmx h VAL 161 N -0.79 0.54 0.00 1.22 2.07 -1.01 -1.10 116.25 117.18 1dmx h VAL 161 Ca -0.12 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1dmx h VAL 161 Cb 1.26 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1dmx h VAL 161 CO 0.01 0.09 -0.07 0.44 0.02 0.00 0.00 177.57 178.06 1dmx h ASP 162 N 0.52 0.00 -0.05 0.57 3.32 -1.00 -3.01 116.42 116.78 1dmx h ASP 162 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1dmx h ASP 162 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1dmx h ASP 162 CO -0.39 0.07 0.00 1.33 -1.72 0.00 0.00 179.24 178.53 1dmx n VAL 163 N -3.86 0.04 -0.30 -1.35 0.24 -0.42 -4.57 118.33 108.11 1dmx n VAL 163 Ca -0.02 -0.52 0.09 0.00 -2.04 0.00 0.00 64.34 61.85 1dmx n VAL 163 Cb 0.17 1.39 0.31 0.00 -1.47 0.00 0.00 33.84 34.24 1dmx n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1dmx h LEU 164 N 4.02 0.78 -1.93 1.34 4.07 -1.50 -1.36 115.31 120.74 1dmx h LEU 164 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1dmx h LEU 164 Cb 0.86 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1dmx h LEU 164 CO 0.00 0.42 0.00 1.55 -1.08 0.00 0.00 178.44 179.33 1dmx h PRO 165 N 0.84 0.00 -0.08 1.13 0.13 -1.81 0.87 132.00 133.08 1dmx h PRO 165 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 1dmx h PRO 165 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1dmx h PRO 165 CO -0.21 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 177.95 1dmx n GLU 166 N -2.52 2.09 -1.23 0.86 -0.58 -0.51 -4.30 120.64 114.45 1dmx n GLU 166 Ca -0.02 -1.60 0.04 0.00 -0.42 0.00 0.00 57.16 55.16 1dmx n GLU 166 Cb 0.05 -1.47 0.09 0.00 -0.57 0.00 0.00 31.44 29.54 1dmx n GLU 166 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1dmx n VAL 167 N 0.91 0.95 0.24 2.62 3.14 0.29 -4.74 118.33 121.75 1dmx n VAL 167 Ca 0.16 -2.01 0.08 0.00 -2.96 0.00 0.00 64.34 59.61 1dmx n VAL 167 Cb 0.50 0.49 0.60 0.00 -1.06 0.00 0.00 33.84 34.37 1dmx n VAL 167 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1dmx h ARG 168 N 1.10 0.00 -6.04 1.45 2.43 -1.73 -3.40 114.38 108.18 1dmx h ARG 168 Ca -0.12 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.44 1dmx h ARG 168 Cb 1.53 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.02 1dmx h ARG 168 CO 0.08 0.13 -0.52 -1.01 -1.51 0.00 0.00 179.97 177.14 1dmx s HIS 169 N -4.60 3.39 0.47 2.20 3.76 -1.26 -0.49 115.29 118.77 1dmx s HIS 169 Ca -0.04 0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.78 1dmx s HIS 169 Cb 0.15 -1.68 -0.07 0.00 1.11 0.00 0.00 32.58 32.09 1dmx s HIS 169 CO 0.66 0.55 1.34 -1.59 -0.85 0.00 0.00 174.74 174.84 1dmx s LYS 170 N -2.71 3.57 0.00 1.40 -2.85 -0.53 -2.86 119.74 115.77 1dmx s LYS 170 Ca 0.33 2.20 0.00 0.00 -1.00 0.00 0.00 55.97 57.50 1dmx s LYS 170 Cb -0.12 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 1dmx s LYS 170 CO 0.26 -0.83 0.00 -0.25 0.10 0.00 0.00 175.35 174.63 1dmx n ASP 171 N -0.45 -0.80 -4.79 0.03 8.00 -0.30 -4.66 116.55 113.58 1dmx n ASP 171 Ca 0.07 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.19 1dmx n ASP 171 Cb 0.44 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 1dmx n ASP 171 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dmx s THR 172 N -3.01 4.41 0.29 -3.53 2.01 -1.14 -4.87 115.64 109.81 1dmx s THR 172 Ca 0.00 1.56 0.07 0.00 0.31 0.00 0.00 61.69 63.63 1dmx s THR 172 Cb 0.00 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.46 1dmx s THR 172 CO 0.00 0.30 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.06 1dmx s GLN 173 N -1.72 1.61 -0.05 4.92 1.11 -1.26 -1.34 119.66 122.93 1dmx s GLN 173 Ca 0.42 -1.82 -0.07 0.00 0.01 0.00 0.00 55.36 53.91 1dmx s GLN 173 Cb -0.19 -1.27 0.01 0.00 -1.01 0.00 0.00 33.01 30.55 1dmx s GLN 173 CO 0.23 0.06 0.17 0.08 0.01 0.00 0.00 175.29 175.84 1dmx s VAL 174 N -2.93 0.02 0.32 1.09 1.01 0.20 -4.88 120.40 115.24 1dmx s VAL 174 Ca 0.30 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1dmx s VAL 174 Cb 0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 36.38 36.00 1dmx s VAL 174 CO 0.13 -0.10 0.91 0.00 0.00 0.00 0.00 175.10 176.04 1dmx s ALA 175 N -0.32 3.22 0.12 5.51 0.00 -1.26 -0.83 121.76 128.19 1dmx s ALA 175 Ca -0.04 0.45 0.10 0.00 0.00 0.00 0.00 51.96 52.47 1dmx s ALA 175 Cb -0.03 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1dmx s ALA 175 CO 0.01 0.19 -0.25 -1.64 0.00 0.00 0.00 175.76 174.07 1dmx s MET 176 N -2.18 1.33 0.00 0.00 -1.94 0.90 -4.77 119.30 112.65 1dmx s MET 176 Ca 0.51 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 1dmx s MET 176 Cb -0.17 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.91 1dmx s MET 176 CO 0.22 0.42 0.00 0.41 -0.01 0.00 0.00 175.02 176.06 1dmx n GLY 177 N 0.99 1.46 3.72 -0.03 0.00 -1.26 -4.48 105.19 105.59 1dmx n GLY 177 Ca -0.18 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1dmx n GLY 177 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dmx s PRO 178 N 1.78 4.20 -0.10 1.61 0.02 -1.26 -4.64 135.00 136.62 1dmx s PRO 178 Ca 0.00 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.37 1dmx s PRO 178 Cb 0.00 -3.13 0.05 0.00 0.02 0.00 0.00 34.50 31.44 1dmx s PRO 178 CO 0.00 -0.60 0.24 0.12 -0.33 0.00 0.00 177.00 176.43 1dmx s PHE 179 N 0.88 -0.31 -0.38 6.54 5.36 -0.98 -4.98 117.98 124.12 1dmx s PHE 179 Ca 0.68 0.76 -0.12 0.00 -0.96 0.00 0.00 56.93 57.29 1dmx s PHE 179 Cb -0.45 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.29 1dmx s PHE 179 CO 0.34 -0.23 0.24 0.34 -1.46 0.00 0.00 175.22 174.45 1dmx s ASP 180 N 1.27 5.87 0.60 6.13 2.15 -1.26 -4.34 116.67 127.08 1dmx s ASP 180 Ca -0.09 -0.89 0.30 0.00 0.43 0.00 0.00 52.55 52.30 1dmx s ASP 180 Cb -0.11 -2.08 1.82 0.00 -0.30 0.00 0.00 42.92 42.26 1dmx s ASP 180 CO -0.08 -0.38 2.23 -0.65 -0.17 0.00 0.00 175.17 176.11 1dmx h PRO 181 N 8.50 0.00 0.00 4.34 0.11 -1.96 -2.43 132.00 140.55 1dmx h PRO 181 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1dmx h PRO 181 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1dmx h PRO 181 CO 0.68 0.00 -0.11 0.77 -0.21 0.00 0.00 178.00 179.13 1dmx h SER 182 N 0.00 0.00 0.24 -2.05 0.02 -1.95 -1.27 113.55 108.54 1dmx h SER 182 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1dmx h SER 182 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1dmx h SER 182 CO -0.00 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 1dmx n LEU 184 N -1.38 0.33 -4.84 0.00 4.77 -0.48 -4.84 117.00 110.57 1dmx n LEU 184 Ca 0.04 0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 55.85 1dmx n LEU 184 Cb 0.09 0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1dmx n LEU 184 CO 0.08 0.10 0.72 -0.04 -1.33 0.00 0.00 177.39 176.91 1dmx s MET 185 N -3.16 3.02 0.56 3.23 -1.94 -0.78 -4.84 119.30 115.38 1dmx s MET 185 Ca -0.06 0.81 -0.06 0.00 -1.71 0.00 0.00 55.69 54.67 1dmx s MET 185 Cb 0.11 -2.01 -0.01 0.00 2.01 0.00 0.00 34.83 34.92 1dmx s MET 185 CO 0.85 -1.01 0.87 -1.25 -0.01 0.00 0.00 175.02 174.48 1dmx s PRO 186 N -5.12 3.19 0.09 2.03 0.04 -1.26 -4.99 135.00 128.97 1dmx s PRO 186 Ca 0.57 0.13 -0.23 0.00 0.04 0.00 0.00 61.00 61.52 1dmx s PRO 186 Cb -0.13 -2.29 -0.14 0.00 0.04 0.00 0.00 34.50 31.98 1dmx s PRO 186 CO 0.54 -0.52 1.70 0.00 0.04 0.00 0.00 177.00 178.76 1dmx h ALA 187 N -0.05 0.05 -2.07 8.56 0.00 -1.96 -3.39 119.26 120.41 1dmx h ALA 187 Ca -0.46 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1dmx h ALA 187 Cb 1.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1dmx h ALA 187 CO 0.61 -0.42 0.94 0.00 0.00 0.00 0.00 179.25 180.37 1dmx n ARG 189 N 6.92 3.09 -2.26 0.00 5.12 -1.26 -4.63 116.66 123.63 1dmx n ARG 189 Ca 0.14 -3.06 -0.41 0.00 -1.93 0.00 0.00 57.85 52.60 1dmx n ARG 189 Cb 0.46 -2.21 -0.03 0.00 -1.16 0.00 0.00 32.46 29.52 1dmx n ARG 189 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1dmx s ASP 190 N -1.15 6.97 0.27 0.55 1.11 -1.26 -4.93 116.67 118.24 1dmx s ASP 190 Ca 0.56 2.52 -0.07 0.00 0.18 0.00 0.00 52.55 55.75 1dmx s ASP 190 Cb 0.46 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.80 1dmx s ASP 190 CO 0.12 -0.38 0.40 -0.72 1.18 0.00 0.00 175.17 175.78 1dmx s TYR 191 N -1.15 0.77 0.28 4.23 1.13 -1.26 -0.58 117.35 120.77 1dmx s TYR 191 Ca 0.47 -1.06 0.11 0.00 -1.41 0.00 0.00 57.07 55.18 1dmx s TYR 191 Cb -0.37 -0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.37 1dmx s TYR 191 CO 0.48 -0.96 -0.12 -1.58 -2.51 0.00 0.00 175.55 170.86 1dmx s TRP 192 N -3.74 2.44 0.00 -3.49 0.51 0.22 -1.36 118.94 113.53 1dmx s TRP 192 Ca 0.29 -0.31 -0.14 0.00 -2.12 0.00 0.00 56.10 53.83 1dmx s TRP 192 Cb 0.01 -1.09 0.02 0.00 -0.81 0.00 0.00 33.47 31.60 1dmx s TRP 192 CO 0.13 0.67 0.28 -0.08 -0.51 0.00 0.00 176.95 177.45 1dmx s THR 193 N -2.46 0.07 -0.15 2.01 -1.32 0.68 -1.38 115.64 113.09 1dmx s THR 193 Ca 0.31 -0.56 -0.31 0.00 -1.21 0.00 0.00 61.69 59.92 1dmx s THR 193 Cb -0.05 -0.67 0.13 0.00 -1.51 0.00 0.00 72.50 70.40 1dmx s THR 193 CO 0.17 -0.31 1.08 -0.72 -2.21 0.00 0.00 174.62 172.63 1dmx s TYR 194 N -1.64 -0.26 0.06 9.09 1.13 -1.02 -1.69 117.35 123.03 1dmx s TYR 194 Ca -0.12 0.32 -0.30 0.00 -1.41 0.00 0.00 57.07 55.57 1dmx s TYR 194 Cb -0.04 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.26 1dmx s TYR 194 CO 0.02 -0.30 1.08 -1.25 -2.51 0.00 0.00 175.55 172.59 1dmx s PRO 195 N -1.83 4.53 0.00 -3.49 0.04 -1.26 -1.22 135.00 131.77 1dmx s PRO 195 Ca 0.04 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1dmx s PRO 195 Cb -0.01 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1dmx s PRO 195 CO -0.04 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1dmx n GLY 196 N 2.85 4.81 3.48 0.56 0.00 -0.10 -4.81 105.19 111.97 1dmx n GLY 196 Ca 0.06 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1dmx n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dmx s SER 197 N 1.23 2.66 0.51 1.61 1.04 -1.08 -3.02 113.70 116.64 1dmx s SER 197 Ca 0.00 -1.74 -0.18 0.00 0.48 0.00 0.00 55.95 54.51 1dmx s SER 197 Cb 0.00 0.59 -0.08 0.00 0.10 0.00 0.00 66.02 66.64 1dmx s SER 197 CO 0.00 -1.01 1.00 -0.76 0.98 0.00 0.00 173.24 173.45 1dmx s LEU 198 N -3.58 3.69 -0.06 2.42 1.43 0.16 -4.33 118.68 118.41 1dmx s LEU 198 Ca 0.26 1.68 0.21 0.00 -1.03 0.00 0.00 54.13 55.25 1dmx s LEU 198 Cb 0.02 -4.53 0.69 0.00 0.03 0.00 0.00 46.19 42.40 1dmx s LEU 198 CO 0.18 -0.67 1.59 0.35 0.23 0.00 0.00 176.35 178.03 1dmx n THR 199 N -1.39 1.41 -4.31 5.49 -2.24 -1.26 -4.55 114.28 107.43 1dmx n THR 199 Ca 0.07 -1.09 -0.16 0.00 -2.27 0.00 0.00 64.05 60.61 1dmx n THR 199 Cb 0.54 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 1dmx n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1dmx s THR 200 N -1.43 1.19 0.59 4.28 -4.23 -1.26 -4.67 115.64 110.10 1dmx s THR 200 Ca 0.51 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.75 1dmx s THR 200 Cb 0.29 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1dmx s THR 200 CO 0.29 -0.51 1.26 -2.65 -0.54 0.00 0.00 174.62 172.47 1dmx n PRO 201 N -0.34 1.34 -0.04 3.99 -0.02 -1.26 -0.14 135.00 138.53 1dmx n PRO 201 Ca -0.07 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1dmx n PRO 201 Cb 0.62 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1dmx n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dmx n PRO 202 N -1.30 1.18 -3.13 0.52 -0.04 -1.26 -4.89 135.00 126.08 1dmx n PRO 202 Ca 0.13 -0.27 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1dmx n PRO 202 Cb 0.46 -1.09 0.05 0.00 -0.04 0.00 0.00 33.50 32.88 1dmx n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1dmx n LEU 203 N -0.26 -2.80 -4.77 1.53 4.77 0.80 -4.97 117.00 111.31 1dmx n LEU 203 Ca 0.02 -0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.29 1dmx n LEU 203 Cb 0.08 -2.05 -0.02 0.00 -2.33 0.00 0.00 43.42 39.10 1dmx n LEU 203 CO 0.02 0.38 0.94 0.00 -1.33 0.00 0.00 177.39 177.39 1dmx s ALA 204 N -3.17 3.35 -1.22 -1.18 0.00 -1.26 -4.46 121.76 113.83 1dmx s ALA 204 Ca 0.34 1.19 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 1dmx s ALA 204 Cb -0.15 -3.46 0.21 0.00 0.00 0.00 0.00 23.12 19.72 1dmx s ALA 204 CO 0.42 -0.66 1.87 0.39 0.00 0.00 0.00 175.76 177.78 1dmx n GLU 205 N 0.47 4.18 -0.03 0.00 1.02 -1.26 -0.67 120.64 124.35 1dmx n GLU 205 Ca 0.02 -3.87 0.01 0.00 -0.02 0.00 0.00 57.16 53.30 1dmx n GLU 205 Cb 0.43 -2.73 0.03 0.00 -0.02 0.00 0.00 31.44 29.16 1dmx n GLU 205 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1dmx n SER 206 N 2.48 2.13 -4.57 1.62 3.41 -1.23 -4.67 113.62 112.78 1dmx n SER 206 Ca 0.41 -1.94 -0.34 0.00 -0.26 0.00 0.00 58.87 56.73 1dmx n SER 206 Cb 0.32 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.12 1dmx n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dmx s VAL 207 N -0.95 4.03 -0.43 -3.33 1.01 -1.17 -0.74 120.40 118.83 1dmx s VAL 207 Ca 0.05 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1dmx s VAL 207 Cb 0.02 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1dmx s VAL 207 CO 0.03 0.54 0.37 -0.89 0.00 0.00 0.00 175.10 175.14 1dmx s THR 208 N -0.13 5.20 0.07 3.92 2.01 -0.52 -0.93 115.64 125.26 1dmx s THR 208 Ca 0.03 -0.67 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 1dmx s THR 208 Cb -0.13 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1dmx s THR 208 CO 0.02 -0.42 0.86 0.26 -0.69 0.00 0.00 174.62 174.65 1dmx s TRP 209 N 1.82 3.76 -0.45 4.92 0.52 -0.35 -1.71 118.94 127.44 1dmx s TRP 209 Ca 0.07 1.61 0.03 0.00 0.02 0.00 0.00 56.10 57.83 1dmx s TRP 209 Cb -0.20 -2.93 0.13 0.00 -1.15 0.00 0.00 33.47 29.32 1dmx s TRP 209 CO 0.10 0.23 0.21 0.42 0.02 0.00 0.00 176.95 177.93 1dmx s ILE 210 N 0.05 2.03 -0.29 2.03 1.01 0.40 -2.44 121.20 123.98 1dmx s ILE 210 Ca 0.43 -2.81 -0.16 0.00 0.00 0.00 0.00 60.65 58.11 1dmx s ILE 210 Cb -0.22 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1dmx s ILE 210 CO 0.26 -0.80 0.43 -0.69 0.00 0.00 0.00 174.94 174.14 1dmx s VAL 211 N 0.21 5.12 0.24 2.92 1.01 -0.48 -0.25 120.40 129.18 1dmx s VAL 211 Ca 0.16 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1dmx s VAL 211 Cb -0.24 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1dmx s VAL 211 CO -0.03 0.04 1.19 -1.10 0.00 0.00 0.00 175.10 175.21 1dmx s GLN 212 N 2.18 4.51 0.20 2.72 -1.52 -0.25 -0.61 119.66 126.89 1dmx s GLN 212 Ca 0.17 1.92 0.03 0.00 -1.95 0.00 0.00 55.36 55.53 1dmx s GLN 212 Cb -0.16 -3.19 0.11 0.00 -0.22 0.00 0.00 33.01 29.55 1dmx s GLN 212 CO 0.11 -0.01 1.46 -0.22 -0.25 0.00 0.00 175.29 176.37 1dmx h LYS 213 N 4.48 0.22 -5.09 2.91 3.64 -1.17 -3.43 116.57 118.13 1dmx h LYS 213 Ca -0.46 -0.19 -0.62 0.00 -1.27 0.00 0.00 60.65 58.11 1dmx h LYS 213 Cb 1.21 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.93 1dmx h LYS 213 CO 0.71 0.87 -0.51 0.99 -2.27 0.00 0.00 179.45 179.23 1dmx s THR 214 N -3.47 5.29 0.56 1.00 2.01 -1.26 -5.04 115.64 114.74 1dmx s THR 214 Ca -0.03 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.99 1dmx s THR 214 Cb 0.11 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 1dmx s THR 214 CO 0.81 0.35 1.00 -2.16 -0.69 0.00 0.00 174.62 173.93 1dmx s PRO 215 N 1.04 3.76 -0.07 4.92 0.04 -1.26 -4.67 135.00 138.76 1dmx s PRO 215 Ca 0.07 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 61.93 1dmx s PRO 215 Cb -0.13 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1dmx s PRO 215 CO 0.04 -0.41 -0.02 0.14 0.04 0.00 0.00 177.00 176.79 1dmx s VAL 216 N -2.90 4.09 0.21 -0.36 -7.23 -0.86 -4.92 120.40 108.43 1dmx s VAL 216 Ca 0.56 -0.37 -0.27 0.00 -1.81 0.00 0.00 61.98 60.09 1dmx s VAL 216 Cb -0.10 -2.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.03 1dmx s VAL 216 CO 0.43 0.57 0.85 -1.61 -0.31 0.00 0.00 175.10 175.04 1dmx s GLU 217 N -0.96 4.69 0.13 4.82 2.02 -1.26 -1.47 118.70 126.68 1dmx s GLU 217 Ca 0.14 1.30 0.02 0.00 0.02 0.00 0.00 54.97 56.45 1dmx s GLU 217 Cb -0.11 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1dmx s GLU 217 CO 0.03 0.53 -0.04 0.14 0.02 0.00 0.00 175.26 175.95 1dmx s VAL 218 N -1.19 0.70 0.41 2.63 -7.23 -0.09 -4.34 120.40 111.30 1dmx s VAL 218 Ca 0.39 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.51 1dmx s VAL 218 Cb -0.24 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.76 1dmx s VAL 218 CO 0.29 -0.69 0.75 -0.55 -0.31 0.00 0.00 175.10 174.59 1dmx s SER 219 N -3.10 6.45 0.27 4.85 0.15 -0.94 -0.60 113.70 120.77 1dmx s SER 219 Ca 0.17 1.05 -0.03 0.00 0.70 0.00 0.00 55.95 57.84 1dmx s SER 219 Cb 0.05 -2.29 0.35 0.00 -1.71 0.00 0.00 66.02 62.42 1dmx s SER 219 CO -0.01 -0.43 1.86 -0.65 1.20 0.00 0.00 173.24 175.22 1dmx h PRO 220 N 1.04 1.02 -0.01 5.44 0.11 -1.92 -2.09 132.00 135.59 1dmx h PRO 220 Ca -0.47 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 65.47 1dmx h PRO 220 Cb 1.19 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1dmx h PRO 220 CO 0.63 0.80 -0.08 0.66 -0.21 0.00 0.00 178.00 179.81 1dmx h SER 221 N 1.01 0.01 0.01 -2.05 4.64 -1.98 0.54 113.55 115.73 1dmx h SER 221 Ca 0.24 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 1dmx h SER 221 Cb 0.13 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1dmx h SER 221 CO -0.03 0.10 -0.44 1.56 -0.87 0.00 0.00 176.83 177.15 1dmx h GLN 222 N 0.02 0.29 -0.30 4.77 4.20 -1.81 -3.04 115.11 119.23 1dmx h GLN 222 Ca 0.00 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 1dmx h GLN 222 Cb 0.15 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1dmx h GLN 222 CO 0.01 1.03 -0.04 1.25 -0.67 0.00 0.00 178.83 180.41 1dmx h LEU 223 N -0.32 0.44 -0.78 1.46 5.85 -0.78 -2.57 115.31 118.61 1dmx h LEU 223 Ca -0.06 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1dmx h LEU 223 Cb 1.19 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1dmx h LEU 223 CO 0.09 0.53 0.31 0.28 -0.34 0.00 0.00 178.44 179.31 1dmx h SER 224 N 0.44 1.07 -0.19 1.25 0.02 0.03 -2.42 113.55 113.76 1dmx h SER 224 Ca 0.09 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1dmx h SER 224 Cb 0.35 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1dmx h SER 224 CO 0.01 0.95 0.13 -0.03 -1.14 0.00 0.00 176.83 176.76 1dmx h MET 225 N 1.13 0.00 -0.79 3.45 1.85 -1.34 -1.88 114.93 117.35 1dmx h MET 225 Ca 0.26 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.32 1dmx h MET 225 Cb 0.22 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.21 1dmx h MET 225 CO -0.02 0.00 0.37 0.74 -0.40 0.00 0.00 176.91 177.60 1dmx h PHE 226 N 0.00 1.13 0.00 1.39 -1.00 -1.47 -2.48 116.94 114.52 1dmx h PHE 226 Ca 0.09 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1dmx h PHE 226 Cb 0.36 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1dmx h PHE 226 CO 0.00 0.83 0.00 0.54 -1.61 0.00 0.00 178.31 178.07 1dmx n ARG 227 N -4.31 0.77 0.07 1.51 1.74 -0.71 -2.54 116.66 113.20 1dmx n ARG 227 Ca 0.08 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1dmx n ARG 227 Cb 0.15 -1.07 0.10 0.00 -1.02 0.00 0.00 32.46 30.62 1dmx n ARG 227 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1dmx h THR 228 N 0.00 0.00 -4.20 0.55 2.02 -1.54 -3.41 112.91 106.33 1dmx h THR 228 Ca 0.00 -0.64 -0.47 0.00 0.77 0.00 0.00 66.41 66.08 1dmx h THR 228 Cb 0.00 1.16 0.13 0.00 -1.74 0.00 0.00 68.15 67.70 1dmx h THR 228 CO 0.00 0.00 0.29 -0.76 0.37 0.00 0.00 175.52 175.42 1dmx s LEU 229 N -4.53 2.09 0.07 2.58 1.43 -1.05 -4.89 118.68 114.37 1dmx s LEU 229 Ca 0.04 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.27 1dmx s LEU 229 Cb 0.12 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1dmx s LEU 229 CO 0.75 -2.50 -0.15 -0.76 0.23 0.00 0.00 176.35 173.92 1dmx s LEU 230 N -6.04 2.26 0.22 1.79 1.02 0.35 -0.62 118.68 117.67 1dmx s LEU 230 Ca 0.63 -0.60 0.12 0.00 0.02 0.00 0.00 54.13 54.30 1dmx s LEU 230 Cb -0.15 -0.58 -0.04 0.00 0.02 0.00 0.00 46.19 45.44 1dmx s LEU 230 CO 0.54 -0.04 1.38 -0.26 0.02 0.00 0.00 176.35 177.99 1dmx h PHE 231 N 4.37 0.00 -3.71 0.29 0.04 -0.28 -3.34 116.94 114.31 1dmx h PHE 231 Ca -0.41 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.86 1dmx h PHE 231 Cb 1.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1dmx h PHE 231 CO 0.61 0.69 0.09 -1.54 -0.60 0.00 0.00 178.31 177.56 1dmx s SER 232 N -6.55 6.70 0.85 2.17 1.04 -1.24 -4.55 113.70 112.12 1dmx s SER 232 Ca 0.03 1.23 -0.04 0.00 0.48 0.00 0.00 55.95 57.64 1dmx s SER 232 Cb 0.08 -2.35 0.07 0.00 0.10 0.00 0.00 66.02 63.92 1dmx s SER 232 CO 0.77 -0.25 0.42 0.61 0.98 0.00 0.00 173.24 175.77 1dmx n GLY 233 N -0.62 -0.68 3.78 7.32 0.00 -1.26 -1.45 105.19 112.29 1dmx n GLY 233 Ca 0.03 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 1dmx n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dmx s ARG 234 N -3.79 4.22 0.00 1.61 0.52 -1.26 -3.29 118.95 116.95 1dmx s ARG 234 Ca 0.25 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 1dmx s ARG 234 Cb -0.01 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.91 1dmx s ARG 234 CO 0.17 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.82 1dmx n GLY 235 N 0.30 3.00 3.91 -3.53 0.00 -1.26 -5.02 105.19 102.59 1dmx n GLY 235 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1dmx n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dmx s GLU 236 N -0.25 1.14 0.47 1.61 2.02 -1.21 -5.03 118.70 117.45 1dmx s GLU 236 Ca 0.00 -0.18 -0.23 0.00 0.02 0.00 0.00 54.97 54.58 1dmx s GLU 236 Cb 0.00 -1.88 -0.07 0.00 0.10 0.00 0.00 34.13 32.28 1dmx s GLU 236 CO 0.00 -2.11 1.23 -1.83 0.02 0.00 0.00 175.26 172.56 1dmx s GLU 237 N -5.75 3.63 -0.38 1.61 1.03 -1.26 -4.90 118.70 112.69 1dmx s GLU 237 Ca 0.69 1.94 -0.28 0.00 0.03 0.00 0.00 54.97 57.34 1dmx s GLU 237 Cb -0.07 -2.41 -0.01 0.00 -0.80 0.00 0.00 34.13 30.84 1dmx s GLU 237 CO 0.51 -0.70 1.67 -2.00 -1.33 0.00 0.00 175.26 173.42 1dmx s GLU 238 N -2.69 3.37 -0.51 -4.83 2.12 -1.26 -4.73 118.70 110.17 1dmx s GLU 238 Ca 0.65 1.21 0.03 0.00 0.36 0.00 0.00 54.97 57.21 1dmx s GLU 238 Cb -0.33 -4.15 0.13 0.00 0.26 0.00 0.00 34.13 30.04 1dmx s GLU 238 CO 0.40 -1.82 0.27 0.34 -0.54 0.00 0.00 175.26 173.90 1dmx s ASP 239 N 5.50 4.56 0.27 -1.70 -1.08 -1.26 -5.06 116.67 117.90 1dmx s ASP 239 Ca 0.73 -2.86 -0.30 0.00 -0.52 0.00 0.00 52.55 49.60 1dmx s ASP 239 Cb -0.19 -1.68 -0.13 0.00 -1.46 0.00 0.00 42.92 39.45 1dmx s ASP 239 CO 0.32 -0.28 1.28 0.52 0.52 0.00 0.00 175.17 177.53 1dmx n VAL 240 N 3.35 1.43 -2.75 1.11 0.31 -1.26 0.42 118.33 120.94 1dmx n VAL 240 Ca 0.05 -0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 1dmx n VAL 240 Cb 0.35 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 31.89 1dmx n VAL 240 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1dmx s MET 241 N -1.03 3.24 0.00 5.55 1.75 0.21 -4.59 119.30 124.44 1dmx s MET 241 Ca 0.63 -0.82 -0.15 0.00 -1.25 0.00 0.00 55.69 54.10 1dmx s MET 241 Cb -0.66 -4.42 0.03 0.00 2.84 0.00 0.00 34.83 32.62 1dmx s MET 241 CO 0.55 -1.94 0.33 0.14 -0.65 0.00 0.00 175.02 173.45 1dmx s VAL 242 N 4.44 0.06 -1.06 10.11 -7.23 -1.26 -4.50 120.40 120.96 1dmx s VAL 242 Ca 0.29 -0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.92 1dmx s VAL 242 Cb -0.11 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1dmx s VAL 242 CO 0.07 -0.28 0.91 0.59 -0.31 0.00 0.00 175.10 176.08 1dmx n ASN 243 N 1.02 -3.91 -1.97 4.85 3.02 -0.75 -4.85 115.26 112.66 1dmx n ASN 243 Ca -0.20 -0.48 -0.21 0.00 -0.03 0.00 0.00 54.58 53.66 1dmx n ASN 243 Cb 0.57 -4.30 0.06 0.00 -0.61 0.00 0.00 39.78 35.50 1dmx n ASN 243 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1dmx n ASN 244 N -2.50 6.36 -4.59 6.41 0.23 -1.08 -4.91 115.26 115.18 1dmx n ASN 244 Ca -0.11 -3.22 -0.30 0.00 -0.53 0.00 0.00 54.58 50.42 1dmx n ASN 244 Cb 0.59 -0.99 -0.09 0.00 -2.08 0.00 0.00 39.78 37.20 1dmx n ASN 244 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1dmx s TYR 245 N -2.30 2.77 0.08 -2.53 -0.85 -1.26 -4.72 117.35 108.55 1dmx s TYR 245 Ca 0.39 -0.14 -0.17 0.00 -0.52 0.00 0.00 57.07 56.63 1dmx s TYR 245 Cb 0.31 -1.44 -0.07 0.00 0.38 0.00 0.00 41.96 41.14 1dmx s TYR 245 CO 0.00 0.44 0.54 0.50 -1.52 0.00 0.00 175.55 175.52 1dmx s ARG 246 N -2.26 4.10 0.76 -3.49 3.52 -1.26 -5.06 118.95 115.26 1dmx s ARG 246 Ca 0.22 0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 56.33 1dmx s ARG 246 Cb -0.11 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.18 1dmx s ARG 246 CO 0.15 0.60 1.12 -1.25 -0.81 0.00 0.00 175.30 175.10 1dmx s PRO 247 N -1.34 2.21 0.21 5.12 0.04 -1.26 -4.71 135.00 135.25 1dmx s PRO 247 Ca 0.31 1.35 -0.32 0.00 0.04 0.00 0.00 61.00 62.37 1dmx s PRO 247 Cb -0.18 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 1dmx s PRO 247 CO 0.18 -1.70 1.50 1.28 0.04 0.00 0.00 177.00 178.30 1dmx n LEU 248 N -3.25 3.17 -4.52 -3.56 4.77 -1.26 -4.39 117.00 107.96 1dmx n LEU 248 Ca 0.10 1.11 -0.32 0.00 -0.03 0.00 0.00 56.01 56.88 1dmx n LEU 248 Cb 0.52 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.06 1dmx n LEU 248 CO 0.51 -0.36 -0.43 -1.10 -1.33 0.00 0.00 177.39 174.68 1dmx s GLN 249 N 0.21 2.43 0.36 3.23 -1.52 0.18 -4.97 119.66 119.58 1dmx s GLN 249 Ca 0.73 -0.77 -0.27 0.00 -1.95 0.00 0.00 55.36 53.10 1dmx s GLN 249 Cb -0.65 -2.39 -0.09 0.00 -0.22 0.00 0.00 33.01 29.66 1dmx s GLN 249 CO 0.44 0.60 1.20 -1.25 -0.25 0.00 0.00 175.29 176.03 1dmx s PRO 250 N -1.17 4.21 0.56 2.91 0.04 -1.26 -4.09 135.00 136.20 1dmx s PRO 250 Ca 0.14 1.94 0.24 0.00 0.04 0.00 0.00 61.00 63.37 1dmx s PRO 250 Cb -0.11 -2.86 1.58 0.00 0.04 0.00 0.00 34.50 33.16 1dmx s PRO 250 CO 0.04 -0.21 2.20 1.25 0.04 0.00 0.00 177.00 180.33 1dmx h LEU 251 N 3.01 0.00 0.00 -3.56 5.85 -1.92 -3.45 115.31 115.24 1dmx h LEU 251 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1dmx h LEU 251 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1dmx h LEU 251 CO 0.64 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 179.28 1dmx n ARG 252 N -4.14 0.00 -2.34 1.25 5.12 -1.26 -2.31 116.66 112.98 1dmx n ARG 252 Ca -0.03 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.61 1dmx n ARG 252 Cb 0.10 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.41 1dmx n ARG 252 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1dmx n ASP 253 N 9.29 5.17 -4.92 0.55 5.68 -1.26 -5.05 116.55 126.02 1dmx n ASP 253 Ca 0.00 -3.74 -0.31 0.00 -0.50 0.00 0.00 54.79 50.24 1dmx n ASP 253 Cb 0.00 -0.54 -0.04 0.00 -1.14 0.00 0.00 41.12 39.40 1dmx n ASP 253 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1dmx s ARG 254 N -3.62 3.46 -0.37 0.11 0.52 -0.98 -5.07 118.95 113.00 1dmx s ARG 254 Ca 0.49 -0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 55.11 1dmx s ARG 254 Cb 0.41 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1dmx s ARG 254 CO -0.20 0.59 0.57 0.15 0.02 0.00 0.00 175.30 176.44 1dmx s LYS 255 N -2.53 3.56 -0.58 3.54 -0.14 -1.26 -5.01 119.74 117.32 1dmx s LYS 255 Ca 0.36 -0.15 -0.16 0.00 -1.36 0.00 0.00 55.97 54.66 1dmx s LYS 255 Cb -0.13 -3.84 0.14 0.00 -1.68 0.00 0.00 37.83 32.32 1dmx s LYS 255 CO 0.28 -0.74 0.55 -1.17 -0.76 0.00 0.00 175.35 173.50 1dmx s LEU 256 N 2.56 6.23 0.08 3.17 0.20 -1.26 -4.58 118.68 125.09 1dmx s LEU 256 Ca 0.21 -1.90 -0.20 0.00 0.69 0.00 0.00 54.13 52.93 1dmx s LEU 256 Cb -0.15 -2.21 -0.07 0.00 -0.43 0.00 0.00 46.19 43.33 1dmx s LEU 256 CO 0.15 -0.83 0.60 -0.13 -0.29 0.00 0.00 176.35 175.84 1dmx s ARG 257 N 1.45 4.26 -0.01 1.98 0.52 -0.68 -1.52 118.95 124.95 1dmx s ARG 257 Ca 0.05 0.80 0.02 0.00 -0.52 0.00 0.00 55.73 56.09 1dmx s ARG 257 Cb -0.27 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 1dmx s ARG 257 CO 0.01 0.63 -0.05 -1.54 0.02 0.00 0.00 175.30 174.37 1dmx s SER 258 N -1.10 4.75 0.00 0.23 1.04 0.13 -0.23 113.70 118.52 1dmx s SER 258 Ca 0.30 -0.09 0.25 0.00 0.48 0.00 0.00 55.95 56.88 1dmx s SER 258 Cb -0.20 -1.16 0.89 0.00 0.10 0.00 0.00 66.02 65.66 1dmx s SER 258 CO 0.20 0.30 1.64 -1.54 0.98 0.00 0.00 173.24 174.82 1dmx n SER 259 N 1.62 1.62 -4.29 7.02 3.41 -0.46 -1.81 113.62 120.73 1dmx n SER 259 Ca -0.16 -1.61 -0.21 0.00 -0.26 0.00 0.00 58.87 56.64 1dmx n SER 259 Cb 0.53 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 1dmx n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1dmx s PHE 260 N -1.90 1.67 -2.00 7.33 -0.71 -1.26 -4.90 117.98 116.21 1dmx s PHE 260 Ca 0.35 -0.49 0.29 0.00 -1.04 0.00 0.00 56.93 56.05 1dmx s PHE 260 Cb 0.19 -0.86 1.73 0.00 -1.21 0.00 0.00 43.02 42.88 1dmx s PHE 260 CO 0.30 0.24 2.07 0.54 -1.34 0.00 0.00 175.22 177.04