#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3a s LYS 23 N 0.00 0.94 -0.01 -0.78 2.20 -1.26 -1.38 119.74 119.44 1d3a s LYS 23 Ca 0.00 -0.73 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1d3a s LYS 23 Cb 0.00 -0.94 -0.01 0.00 -1.51 0.00 0.00 37.83 35.37 1d3a s LYS 23 CO 0.00 0.23 -0.11 0.08 -0.36 0.00 0.00 175.35 175.20 1d3a s VAL 24 N -0.81 0.87 0.04 4.02 1.01 0.01 -0.79 120.40 124.74 1d3a s VAL 24 Ca 0.02 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1d3a s VAL 24 Cb -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1d3a s VAL 24 CO 0.01 0.25 -0.25 -0.44 0.00 0.00 0.00 175.10 174.67 1d3a s SER 25 N -0.21 2.95 -0.16 3.32 0.01 -0.52 -1.47 113.70 117.62 1d3a s SER 25 Ca 0.03 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1d3a s SER 25 Cb -0.05 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 65.94 1d3a s SER 25 CO -0.00 0.24 -0.14 -0.69 0.41 0.00 0.00 173.24 173.06 1d3a s VAL 26 N -0.78 1.59 -0.40 3.43 1.01 -0.63 -0.24 120.40 124.38 1d3a s VAL 26 Ca 0.10 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1d3a s VAL 26 Cb -0.10 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1d3a s VAL 26 CO 0.02 0.41 0.26 -0.69 0.00 0.00 0.00 175.10 175.10 1d3a s VAL 27 N 1.47 4.85 0.00 2.92 1.01 0.11 -0.50 120.40 130.25 1d3a s VAL 27 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1d3a s VAL 27 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1d3a s VAL 27 CO -0.10 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1d3a n GLY 28 N 5.07 2.04 0.31 4.51 0.00 0.13 -0.71 105.19 116.54 1d3a n GLY 28 Ca -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1d3a n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d3a n ALA 29 N 0.47 0.00 -2.86 4.61 0.00 -1.26 -3.97 120.51 117.49 1d3a n ALA 29 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1d3a n ALA 29 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1d3a n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1d3a s GLY 30 N 0.00 2.12 0.02 0.00 0.00 -1.26 -4.89 107.32 103.32 1d3a s GLY 30 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 1d3a s GLY 30 CO 0.00 -0.83 0.88 2.41 0.00 0.00 0.00 173.10 175.56 1d3a n THR 31 N 0.55 -0.10 0.24 0.90 -1.04 -1.26 0.43 114.28 114.00 1d3a n THR 31 Ca -0.08 1.34 0.09 0.00 -2.04 0.00 0.00 64.05 63.36 1d3a n THR 31 Cb 0.52 -1.75 0.60 0.00 -1.82 0.00 0.00 70.33 67.88 1d3a n THR 31 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1d3a h VAL 32 N 0.00 0.88 -0.30 12.58 2.07 -1.90 -2.11 116.25 127.47 1d3a h VAL 32 Ca 0.02 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 1d3a h VAL 32 Cb 0.06 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1d3a h VAL 32 CO -0.14 0.16 -0.28 1.23 0.02 0.00 0.00 177.57 178.56 1d3a h GLY 33 N 0.70 0.78 0.73 2.17 0.00 -0.66 -2.36 103.07 104.43 1d3a h GLY 33 Ca -0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1d3a h GLY 33 CO 0.02 0.72 -0.10 0.00 0.00 0.00 0.00 176.54 177.18 1d3a h ALA 34 N 0.72 -0.28 -0.31 3.60 0.00 0.32 -2.46 119.26 120.84 1d3a h ALA 34 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1d3a h ALA 34 Cb 0.85 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1d3a h ALA 34 CO 0.07 -0.52 0.21 0.00 0.00 0.00 0.00 179.25 179.01 1d3a h ALA 35 N 0.15 1.85 0.00 0.00 0.00 -1.45 -0.93 119.26 118.88 1d3a h ALA 35 Ca -0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1d3a h ALA 35 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1d3a h ALA 35 CO 0.05 0.12 -0.69 0.00 0.00 0.00 0.00 179.25 178.72 1d3a h ALA 36 N 1.82 0.67 0.01 0.00 0.00 -1.43 -2.41 119.26 117.92 1d3a h ALA 36 Ca 0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1d3a h ALA 36 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1d3a h ALA 36 CO -0.03 0.87 -0.01 0.78 0.00 0.00 0.00 179.25 180.86 1d3a h GLY 37 N 2.73 -0.02 0.97 0.00 0.00 -0.70 -1.91 103.07 104.13 1d3a h GLY 37 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1d3a h GLY 37 CO 0.09 -0.01 0.20 -1.82 0.00 0.00 0.00 176.54 175.00 1d3a h TYR 38 N -0.37 0.49 -0.05 5.60 3.20 -1.40 -0.87 116.97 123.57 1d3a h TYR 38 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1d3a h TYR 38 Cb 0.36 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1d3a h TYR 38 CO 0.05 0.38 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.90 1d3a h ASN 39 N 0.46 0.07 0.04 -2.11 4.21 -1.44 -0.96 115.58 115.85 1d3a h ASN 39 Ca 0.13 -0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.48 1d3a h ASN 39 Cb 0.05 -0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1d3a h ASN 39 CO -0.02 0.21 -0.60 0.40 -1.29 0.00 0.00 177.43 176.13 1d3a h ILE 40 N 0.08 1.47 -0.85 2.81 2.04 -1.02 -3.26 117.51 118.77 1d3a h ILE 40 Ca 0.02 -2.19 0.02 0.00 1.00 0.00 0.00 64.86 63.71 1d3a h ILE 40 Cb 0.28 2.79 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 1d3a h ILE 40 CO 0.02 0.63 0.56 0.00 0.00 0.00 0.00 178.15 179.35 1d3a h ALA 41 N 0.24 1.10 -0.60 1.87 0.00 -0.84 -2.92 119.26 118.11 1d3a h ALA 41 Ca -0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1d3a h ALA 41 Cb 1.36 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1d3a h ALA 41 CO 0.12 0.45 0.37 1.25 0.00 0.00 0.00 179.25 181.44 1d3a h LEU 42 N 1.12 0.61 -0.22 0.00 5.85 -1.29 -2.54 115.31 118.84 1d3a h LEU 42 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1d3a h LEU 42 Cb -0.08 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1d3a h LEU 42 CO -0.09 0.43 0.00 0.54 -0.34 0.00 0.00 178.44 178.98 1d3a n ARG 43 N -4.73 0.02 -3.73 1.25 5.12 -1.10 -4.52 116.66 108.97 1d3a n ARG 43 Ca 0.05 0.52 -0.23 0.00 -1.93 0.00 0.00 57.85 56.27 1d3a n ARG 43 Cb 0.08 -1.57 0.03 0.00 -1.16 0.00 0.00 32.46 29.84 1d3a n ARG 43 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1d3a n ASP 44 N -1.62 -1.90 -0.47 0.55 2.03 -0.96 -4.92 116.55 109.26 1d3a n ASP 44 Ca -0.00 -0.80 0.06 0.00 0.52 0.00 0.00 54.79 54.56 1d3a n ASP 44 Cb 0.01 -4.07 0.05 0.00 -0.72 0.00 0.00 41.12 36.38 1d3a n ASP 44 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1d3a n ILE 45 N -4.36 0.01 -3.76 5.18 -5.35 -1.26 -4.93 119.36 104.88 1d3a n ILE 45 Ca -0.24 -0.50 -0.13 0.00 -0.27 0.00 0.00 62.75 61.62 1d3a n ILE 45 Cb 0.65 1.24 -0.13 0.00 -1.74 0.00 0.00 39.64 39.67 1d3a n ILE 45 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1d3a s ALA 46 N -0.98 -0.53 0.33 -1.28 0.00 -1.26 -4.96 121.76 113.08 1d3a s ALA 46 Ca 0.14 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1d3a s ALA 46 Cb 0.10 -0.48 0.59 0.00 0.00 0.00 0.00 23.12 23.33 1d3a s ALA 46 CO 0.15 -0.15 1.88 -0.44 0.00 0.00 0.00 175.76 177.20 1d3a h ASP 47 N 6.50 0.52 -4.28 0.00 5.19 -1.61 -3.40 116.42 119.33 1d3a h ASP 47 Ca -0.33 -0.09 -0.33 0.00 -0.62 0.00 0.00 57.03 55.66 1d3a h ASP 47 Cb 1.17 -0.14 -0.25 0.00 0.18 0.00 0.00 39.33 40.30 1d3a h ASP 47 CO 0.38 0.57 -0.75 -1.61 -3.12 0.00 0.00 179.24 174.70 1d3a s GLU 48 N -5.02 0.55 -0.05 3.56 2.02 -0.92 -2.23 118.70 116.61 1d3a s GLU 48 Ca -0.08 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 1d3a s GLU 48 Cb 0.16 -0.46 0.03 0.00 0.10 0.00 0.00 34.13 33.95 1d3a s GLU 48 CO 0.77 0.11 0.04 0.08 0.02 0.00 0.00 175.26 176.27 1d3a s VAL 49 N -0.68 0.08 -0.19 2.63 1.01 -0.60 -0.81 120.40 121.83 1d3a s VAL 49 Ca -0.02 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 1d3a s VAL 49 Cb -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1d3a s VAL 49 CO 0.00 0.21 0.02 -0.69 0.00 0.00 0.00 175.10 174.64 1d3a s VAL 50 N 2.02 4.25 -0.22 2.92 1.01 -0.54 -1.84 120.40 127.99 1d3a s VAL 50 Ca 0.04 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1d3a s VAL 50 Cb -0.12 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1d3a s VAL 50 CO -0.04 0.43 0.47 -0.36 0.00 0.00 0.00 175.10 175.61 1d3a s PHE 51 N 0.79 3.34 -0.10 5.22 0.40 0.90 -1.60 117.98 126.93 1d3a s PHE 51 Ca 0.01 0.66 0.02 0.00 -0.60 0.00 0.00 56.93 57.03 1d3a s PHE 51 Cb -0.14 -2.63 0.01 0.00 0.51 0.00 0.00 43.02 40.77 1d3a s PHE 51 CO 0.02 -0.13 -0.17 0.08 0.70 0.00 0.00 175.22 175.73 1d3a s VAL 52 N 1.73 1.57 0.36 -0.44 1.01 0.34 -1.00 120.40 123.97 1d3a s VAL 52 Ca 0.21 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1d3a s VAL 52 Cb -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1d3a s VAL 52 CO 0.09 0.45 0.54 -0.62 0.00 0.00 0.00 175.10 175.57 1d3a s ASP 53 N 0.76 0.81 0.25 3.32 -1.08 -1.26 0.21 116.67 119.68 1d3a s ASP 53 Ca -0.11 -1.45 -0.31 0.00 -0.52 0.00 0.00 52.55 50.16 1d3a s ASP 53 Cb -0.16 0.71 -0.12 0.00 -1.46 0.00 0.00 42.92 41.89 1d3a s ASP 53 CO 0.02 -1.39 1.60 0.00 0.52 0.00 0.00 175.17 175.92 1d3a n ILE 54 N -0.57 0.67 -0.41 4.11 3.06 -1.26 -4.88 119.36 120.07 1d3a n ILE 54 Ca -0.01 -0.17 0.39 0.00 -2.50 0.00 0.00 62.75 60.47 1d3a n ILE 54 Cb 0.61 -1.86 0.73 0.00 0.54 0.00 0.00 39.64 39.66 1d3a n ILE 54 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 1d3a h PRO 54 N 5.30 0.00 -0.02 9.51 0.11 -2.00 -0.14 132.00 144.75 1d3a h PRO 54 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1d3a h PRO 54 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1d3a h PRO 54 CO 0.84 0.00 -0.59 -0.44 -0.21 0.00 0.00 178.00 177.60 1d3a h ASP 54 N 0.00 0.08 -0.72 -2.05 5.19 -2.07 -3.06 116.42 113.79 1d3a h ASP 54 Ca 0.66 -0.05 -0.25 0.00 -0.62 0.00 0.00 57.03 56.77 1d3a h ASP 54 Cb 2.81 -0.02 -0.15 0.00 0.18 0.00 0.00 39.33 42.15 1d3a h ASP 54 CO -0.01 0.65 0.29 0.29 -3.12 0.00 0.00 179.24 177.34 1d3a n LYS 55 N -3.86 3.21 0.27 3.56 5.02 -0.07 -4.50 118.16 121.79 1d3a n LYS 55 Ca -0.02 -3.07 0.12 0.00 -2.02 0.00 0.00 58.31 53.32 1d3a n LYS 55 Cb 0.59 -2.15 0.76 0.00 -0.02 0.00 0.00 35.03 34.22 1d3a n LYS 55 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1d3a h GLU 56 N 2.13 0.00 -0.08 1.97 4.81 -1.50 -1.00 114.58 120.91 1d3a h GLU 56 Ca 0.31 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1d3a h GLU 56 Cb 2.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.69 1d3a h GLU 56 CO 0.74 0.07 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.55 1d3a h ASP 57 N 0.00 0.23 -0.15 1.04 3.32 -1.86 -2.41 116.42 116.59 1d3a h ASP 57 Ca -0.00 -0.50 0.04 0.00 0.02 0.00 0.00 57.03 56.59 1d3a h ASP 57 Cb 0.16 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1d3a h ASP 57 CO 0.01 0.68 -0.11 0.44 -1.72 0.00 0.00 179.24 178.54 1d3a h ASP 58 N -0.22 -0.36 -0.80 6.45 3.32 -1.67 -0.71 116.42 122.43 1d3a h ASP 58 Ca 0.01 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.24 1d3a h ASP 58 Cb 0.62 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 1d3a h ASP 58 CO 0.02 -0.15 0.43 0.74 -1.72 0.00 0.00 179.24 178.56 1d3a h THR 59 N -0.12 0.85 -0.56 0.35 2.02 -1.23 0.37 112.91 114.59 1d3a h THR 59 Ca 0.09 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1d3a h THR 59 Cb 0.26 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1d3a h THR 59 CO -0.22 0.13 0.29 0.58 0.37 0.00 0.00 175.52 176.67 1d3a h VAL 60 N 0.70 1.19 0.32 3.16 2.07 -0.87 -1.58 116.25 121.25 1d3a h VAL 60 Ca 0.40 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1d3a h VAL 60 Cb 0.43 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1d3a h VAL 60 CO -0.28 0.21 -0.15 1.23 0.02 0.00 0.00 177.57 178.60 1d3a h GLY 61 N 0.75 -0.45 0.05 2.17 0.00 0.41 -1.63 103.07 104.37 1d3a h GLY 61 Ca 0.20 0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.86 1d3a h GLY 61 CO -0.03 -0.16 0.36 1.46 0.00 0.00 0.00 176.54 178.17 1d3a h GLN 62 N -0.48 0.46 -0.43 4.80 1.08 -0.14 -1.11 115.11 119.29 1d3a h GLN 62 Ca -0.04 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1d3a h GLN 62 Cb 0.37 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1d3a h GLN 62 CO 0.07 0.30 -0.02 0.00 -0.95 0.00 0.00 178.83 178.24 1d3a h ALA 63 N 1.60 0.58 -0.10 3.87 0.00 -1.05 -1.96 119.26 122.21 1d3a h ALA 63 Ca 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1d3a h ALA 63 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1d3a h ALA 63 CO -0.44 0.39 0.06 0.00 0.00 0.00 0.00 179.25 179.26 1d3a h ALA 64 N 0.89 0.12 -0.90 0.00 0.00 -0.27 -2.18 119.26 116.92 1d3a h ALA 64 Ca 0.12 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1d3a h ALA 64 Cb 0.51 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1d3a h ALA 64 CO 0.03 -0.39 0.57 0.22 0.00 0.00 0.00 179.25 179.67 1d3a h ASP 65 N 0.12 0.90 -0.60 0.00 3.58 -1.21 -2.31 116.42 116.91 1d3a h ASP 65 Ca 0.04 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1d3a h ASP 65 Cb -0.01 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1d3a h ASP 65 CO -0.02 0.57 0.04 0.74 -2.88 0.00 0.00 179.24 177.70 1d3a h THR 66 N 1.03 1.26 -0.09 2.25 2.02 -1.09 -0.14 112.91 118.16 1d3a h THR 66 Ca 0.39 -1.08 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1d3a h THR 66 Cb 0.17 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1d3a h THR 66 CO -0.17 0.40 -0.21 0.78 0.37 0.00 0.00 175.52 176.68 1d3a h ASN 67 N 0.92 0.15 -0.08 4.18 2.35 -0.91 -1.42 115.58 120.76 1d3a h ASN 67 Ca 0.17 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1d3a h ASN 67 Cb 0.50 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1d3a h ASN 67 CO 0.02 0.38 -0.08 0.45 -1.65 0.00 0.00 177.43 176.55 1d3a h HIS 68 N 0.14 0.24 0.00 1.19 3.86 -1.08 -2.43 115.15 117.08 1d3a h HIS 68 Ca 0.03 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1d3a h HIS 68 Cb 0.47 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1d3a h HIS 68 CO 0.00 0.62 -0.01 0.78 0.86 0.00 0.00 177.93 180.19 1d3a h GLY 69 N -0.22 0.00 -0.70 2.45 0.00 -0.47 -3.17 103.07 100.96 1d3a h GLY 69 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1d3a h GLY 69 CO 0.02 0.00 -0.14 0.29 0.00 0.00 0.00 176.54 176.71 1d3a n ILE 70 N -3.94 0.00 -0.10 2.60 -5.35 -0.59 -4.72 119.36 107.27 1d3a n ILE 70 Ca -0.03 -0.43 0.26 0.00 -0.27 0.00 0.00 62.75 62.28 1d3a n ILE 70 Cb 0.10 1.18 0.62 0.00 -1.74 0.00 0.00 39.64 39.80 1d3a n ILE 70 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1d3a h ALA 71 N 2.11 2.62 0.00 -1.28 0.00 -1.40 0.26 119.26 121.57 1d3a h ALA 71 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1d3a h ALA 71 Cb 0.43 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1d3a h ALA 71 CO 0.00 -1.25 -1.29 0.66 0.00 0.00 0.00 179.25 177.36 1d3a n TYR 72 N -3.55 0.00 0.00 0.00 4.02 -1.26 -4.63 117.16 111.73 1d3a n TYR 72 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1d3a n TYR 72 Cb 1.11 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 1d3a n TYR 72 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1d3a n ASP 73 N -1.73 0.02 -3.78 7.72 9.92 -0.19 -5.09 116.55 123.42 1d3a n ASP 73 Ca 0.01 -0.44 -0.13 0.00 -0.53 0.00 0.00 54.79 53.71 1d3a n ASP 73 Cb 0.39 0.88 -0.11 0.00 -0.64 0.00 0.00 41.12 41.64 1d3a n ASP 73 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1d3a s SER 74 N -0.89 -0.26 0.00 -2.24 0.15 -0.10 -4.77 113.70 105.59 1d3a s SER 74 Ca 0.00 0.47 0.28 0.00 0.70 0.00 0.00 55.95 57.40 1d3a s SER 74 Cb 0.00 0.52 0.98 0.00 -1.71 0.00 0.00 66.02 65.81 1d3a s SER 74 CO 0.00 -0.14 1.72 0.59 1.20 0.00 0.00 173.24 176.61 1d3a n ASN 75 N 2.70 0.46 -4.64 5.45 5.03 -1.26 -4.62 115.26 118.38 1d3a n ASN 75 Ca -0.14 -0.32 -0.41 0.00 0.87 0.00 0.00 54.58 54.58 1d3a n ASN 75 Cb 0.58 -0.04 0.02 0.00 -1.02 0.00 0.00 39.78 39.31 1d3a n ASN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1d3a n THR 76 N -1.17 2.61 -4.45 3.41 -1.04 -1.26 -4.99 114.28 107.38 1d3a n THR 76 Ca 0.10 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 1d3a n THR 76 Cb 0.31 -1.28 -0.15 0.00 -1.82 0.00 0.00 70.33 67.40 1d3a n THR 76 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1d3a s ARG 77 N -2.14 3.29 -0.12 -2.82 0.52 -0.95 -5.03 118.95 111.70 1d3a s ARG 77 Ca 0.64 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1d3a s ARG 77 Cb -0.53 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 1d3a s ARG 77 CO 0.56 0.02 -0.20 0.08 0.02 0.00 0.00 175.30 175.79 1d3a s VAL 78 N 0.83 2.41 0.04 3.52 1.01 -1.26 -1.56 120.40 125.39 1d3a s VAL 78 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1d3a s VAL 78 Cb -0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1d3a s VAL 78 CO 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 175.10 175.62 1d3a s ARG 79 N 0.49 0.54 0.13 2.72 1.70 -0.77 -4.80 118.95 118.97 1d3a s ARG 79 Ca -0.13 -1.04 -0.23 0.00 -0.47 0.00 0.00 55.73 53.86 1d3a s ARG 79 Cb -0.17 0.19 -0.08 0.00 -0.57 0.00 0.00 34.95 34.33 1d3a s ARG 79 CO 0.05 -0.10 0.71 -1.14 -1.08 0.00 0.00 175.30 173.74 1d3a s GLN 80 N -3.25 4.44 0.32 3.89 -0.44 -1.26 -0.07 119.66 123.30 1d3a s GLN 80 Ca 0.01 1.02 -0.10 0.00 -2.50 0.00 0.00 55.36 53.78 1d3a s GLN 80 Cb 0.03 -3.25 0.04 0.00 -1.64 0.00 0.00 33.01 28.19 1d3a s GLN 80 CO -0.08 0.60 0.60 0.41 0.50 0.00 0.00 175.29 177.32 1d3a n GLY 81 N 1.63 1.39 3.70 2.59 0.00 -0.17 -4.84 105.19 109.49 1d3a n GLY 81 Ca -0.07 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 1d3a n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d3a s GLY 84 N -2.74 1.99 0.64 -0.02 0.00 -1.26 -4.39 107.32 101.54 1d3a s GLY 84 Ca 0.16 -1.87 0.10 0.00 0.00 0.00 0.00 44.72 43.10 1d3a s GLY 84 CO 0.12 -1.80 1.10 -1.72 0.00 0.00 0.00 173.10 170.79 1d3a n TYR 85 N -1.09 0.00 0.14 1.90 4.02 -1.26 0.55 117.16 121.42 1d3a n TYR 85 Ca -0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.87 1d3a n TYR 85 Cb 0.62 -0.09 0.11 0.00 -0.02 0.00 0.00 39.34 39.95 1d3a n TYR 85 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1d3a h GLU 86 N 0.00 0.00 0.00 -0.72 5.08 -1.94 -3.05 114.58 113.95 1d3a h GLU 86 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1d3a h GLU 86 Cb 2.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.58 1d3a h GLU 86 CO -0.00 0.56 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.05 1d3a h ASP 87 N 0.00 0.00 0.00 1.42 5.19 -0.27 -3.13 116.42 119.62 1d3a h ASP 87 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1d3a h ASP 87 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1d3a h ASP 87 CO 0.07 0.07 0.00 0.35 -3.12 0.00 0.00 179.24 176.61 1d3a n THR 88 N -3.14 0.89 -2.86 0.35 -2.24 -1.15 -4.83 114.28 101.30 1d3a n THR 88 Ca 0.02 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1d3a n THR 88 Cb 0.47 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.71 1d3a n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d3a s ALA 89 N 0.17 3.25 0.00 6.98 0.00 -1.19 -3.62 121.76 127.36 1d3a s ALA 89 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1d3a s ALA 89 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1d3a s ALA 89 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1d3a n GLY 90 N 2.82 1.02 3.61 0.00 0.00 -1.26 -4.99 105.19 106.39 1d3a n GLY 90 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 1d3a n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1d3a n SER 91 N 0.00 1.83 0.04 1.61 7.64 -1.24 -4.63 113.62 118.87 1d3a n SER 91 Ca 0.00 1.13 -0.03 0.00 1.01 0.00 0.00 58.87 60.98 1d3a n SER 91 Cb 0.00 -1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 61.84 1d3a n SER 91 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1d3a h ASP 92 N 3.91 0.00 -4.16 6.43 3.32 -1.29 -3.43 116.42 121.21 1d3a h ASP 92 Ca -0.44 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.43 1d3a h ASP 92 Cb 1.32 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.62 1d3a h ASP 92 CO 0.74 0.75 -0.51 -0.69 -1.72 0.00 0.00 179.24 177.81 1d3a s VAL 93 N -2.80 0.03 -0.09 -1.35 1.01 -1.22 -2.53 120.40 113.44 1d3a s VAL 93 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1d3a s VAL 93 Cb 0.08 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1d3a s VAL 93 CO 0.81 -0.12 -0.08 -0.69 0.00 0.00 0.00 175.10 175.02 1d3a s VAL 94 N -0.37 0.95 -0.23 2.92 1.01 0.51 -1.44 120.40 123.74 1d3a s VAL 94 Ca -0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1d3a s VAL 94 Cb -0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1d3a s VAL 94 CO 0.01 0.34 0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1d3a s VAL 95 N 1.36 4.93 -0.26 2.92 1.01 0.67 -0.60 120.40 130.43 1d3a s VAL 95 Ca -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1d3a s VAL 95 Cb -0.14 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1d3a s VAL 95 CO -0.04 0.37 -0.02 -0.63 0.00 0.00 0.00 175.10 174.78 1d3a s ILE 96 N 1.07 3.22 -0.02 2.22 1.01 0.18 0.06 121.20 128.94 1d3a s ILE 96 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1d3a s ILE 96 Cb -0.14 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1d3a s ILE 96 CO 0.04 0.18 0.54 0.35 0.00 0.00 0.00 174.94 176.04 1d3a n THR 97 N 4.73 0.07 -1.55 2.92 -2.24 0.11 -0.63 114.28 117.69 1d3a n THR 97 Ca -0.16 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 1d3a n THR 97 Cb 0.47 0.97 0.08 0.00 -2.10 0.00 0.00 70.33 69.75 1d3a n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d3a s ALA 98 N -0.08 2.21 0.00 6.98 0.00 -0.92 -4.66 121.76 125.30 1d3a s ALA 98 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1d3a s ALA 98 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1d3a s ALA 98 CO 0.00 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.43 1d3a n GLY 99 N 0.48 3.60 3.64 0.00 0.00 -1.26 -4.62 105.19 107.03 1d3a n GLY 99 Ca 0.14 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1d3a n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d3a s ILE 100 N -2.00 4.86 0.48 -0.61 -1.09 -1.26 -5.04 121.20 116.54 1d3a s ILE 100 Ca 0.00 1.52 -0.22 0.00 -2.23 0.00 0.00 60.65 59.72 1d3a s ILE 100 Cb 0.00 -4.10 -0.07 0.00 -1.58 0.00 0.00 42.46 36.72 1d3a s ILE 100 CO 0.00 -0.06 1.16 -2.16 -1.23 0.00 0.00 174.94 172.66 1d3a s PRO 101 N 2.78 3.64 0.16 2.79 0.04 -1.26 -4.95 135.00 138.19 1d3a s PRO 101 Ca 0.34 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 1d3a s PRO 101 Cb -0.15 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 1d3a s PRO 101 CO 0.08 -0.65 1.50 0.50 0.04 0.00 0.00 177.00 178.47 1d3a s ARG 102 N -2.84 4.25 0.33 4.56 3.52 -1.26 -5.00 118.95 122.51 1d3a s ARG 102 Ca 0.66 2.27 -0.19 0.00 -0.13 0.00 0.00 55.73 58.34 1d3a s ARG 102 Cb -0.28 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 1d3a s ARG 102 CO 0.33 -0.54 0.82 -0.65 -0.81 0.00 0.00 175.30 174.45 1d3a s GLN 103 N 0.99 4.20 0.27 5.12 -1.52 -1.26 -5.00 119.66 122.47 1d3a s GLN 103 Ca 0.67 0.92 -0.30 0.00 -1.95 0.00 0.00 55.36 54.70 1d3a s GLN 103 Cb -0.42 -2.53 -0.12 0.00 -0.22 0.00 0.00 33.01 29.73 1d3a s GLN 103 CO 0.32 0.18 1.57 -2.30 -0.25 0.00 0.00 175.29 174.82 1d3a n PRO 105 N -0.05 2.58 -0.85 2.91 -0.02 -1.26 -1.68 135.00 136.63 1d3a n PRO 105 Ca 0.03 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1d3a n PRO 105 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1d3a n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d3a n GLY 106 N 2.34 0.56 3.75 -1.23 0.00 -1.26 -5.03 105.19 104.33 1d3a n GLY 106 Ca 0.10 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1d3a n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d3a s GLN 107 N -0.31 4.18 0.21 1.61 0.74 -0.68 -5.07 119.66 120.34 1d3a s GLN 107 Ca 0.00 0.24 -0.30 0.00 0.05 0.00 0.00 55.36 55.35 1d3a s GLN 107 Cb 0.00 -3.38 -0.08 0.00 1.10 0.00 0.00 33.01 30.65 1d3a s GLN 107 CO 0.00 0.33 0.97 0.95 -0.55 0.00 0.00 175.29 176.99 1d3a s THR 108 N 0.14 4.10 0.30 -0.34 -4.23 -1.26 -4.88 115.64 109.48 1d3a s THR 108 Ca 0.20 2.01 0.06 0.00 -1.18 0.00 0.00 61.69 62.78 1d3a s THR 108 Cb -0.14 -4.28 0.32 0.00 1.34 0.00 0.00 72.50 69.74 1d3a s THR 108 CO 0.07 0.43 1.65 0.03 -0.54 0.00 0.00 174.62 176.27 1d3a h ARG 109 N 4.50 0.24 0.00 3.99 2.47 -1.99 0.97 114.38 124.56 1d3a h ARG 109 Ca -0.45 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.20 1d3a h ARG 109 Cb 1.20 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1d3a h ARG 109 CO 0.69 0.16 -0.27 0.82 0.56 0.00 0.00 179.97 181.92 1d3a h ILE 110 N 0.24 0.78 -0.02 2.04 2.04 -1.99 -1.95 117.51 118.65 1d3a h ILE 110 Ca 0.61 -1.13 -0.25 0.00 1.00 0.00 0.00 64.86 65.08 1d3a h ILE 110 Cb 1.28 1.70 0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1d3a h ILE 110 CO -0.64 0.27 -0.99 0.44 0.00 0.00 0.00 178.15 177.23 1d3a h ASP 111 N 0.00 0.82 -0.95 1.72 3.45 0.48 -2.37 116.42 119.57 1d3a h ASP 111 Ca -0.00 -0.64 -0.00 0.00 0.43 0.00 0.00 57.03 56.81 1d3a h ASP 111 Cb 0.68 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 39.15 1d3a h ASP 111 CO 0.04 1.44 0.57 0.25 -1.57 0.00 0.00 179.24 179.97 1d3a h LEU 112 N 0.37 1.14 0.51 1.55 5.85 -0.49 -1.24 115.31 123.00 1d3a h LEU 112 Ca -0.11 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1d3a h LEU 112 Cb 1.63 -0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.38 1d3a h LEU 112 CO 0.19 0.87 -0.25 0.00 -0.34 0.00 0.00 178.44 178.91 1d3a h ALA 113 N 1.32 -0.69 -0.48 1.25 0.00 -1.32 -2.68 119.26 116.67 1d3a h ALA 113 Ca 0.34 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1d3a h ALA 113 Cb -0.06 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1d3a h ALA 113 CO -0.06 -0.83 -0.25 0.78 0.00 0.00 0.00 179.25 178.88 1d3a h GLY 114 N -0.79 0.02 -0.10 0.00 0.00 -1.08 0.11 103.07 101.24 1d3a h GLY 114 Ca -0.07 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1d3a h GLY 114 CO 0.12 -0.21 -0.47 -0.55 0.00 0.00 0.00 176.54 175.42 1d3a h ASP 115 N -0.15 -1.51 0.55 0.19 3.32 -1.19 -2.74 116.42 114.90 1d3a h ASP 115 Ca 0.22 0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.41 1d3a h ASP 115 Cb 0.49 0.61 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1d3a h ASP 115 CO -0.57 -0.44 -0.25 0.78 -1.72 0.00 0.00 179.24 177.04 1d3a h ASN 116 N -0.51 0.00 -0.87 6.45 2.35 -1.02 -3.35 115.58 118.64 1d3a h ASN 116 Ca 0.07 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 56.03 1d3a h ASN 116 Cb 0.64 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.86 1d3a h ASN 116 CO -0.44 0.25 -0.01 0.00 -1.65 0.00 0.00 177.43 175.58 1d3a h ALA 117 N 1.75 0.91 -0.56 -0.83 0.00 -0.47 -0.47 119.26 119.59 1d3a h ALA 117 Ca -0.00 0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1d3a h ALA 117 Cb 0.60 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1d3a h ALA 117 CO 0.03 -0.47 0.01 -1.00 0.00 0.00 0.00 179.25 177.82 1d3a h PRO 118 N 0.06 0.95 -0.28 0.00 0.13 -1.74 -3.01 132.00 128.11 1d3a h PRO 118 Ca 0.49 -0.28 0.01 0.00 -0.87 0.00 0.00 66.00 65.35 1d3a h PRO 118 Cb 0.90 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1d3a h PRO 118 CO -0.79 0.93 0.15 0.82 -0.23 0.00 0.00 178.00 178.88 1d3a h ILE 119 N 0.88 1.01 -0.88 -3.56 2.04 -1.33 -0.18 117.51 115.49 1d3a h ILE 119 Ca 0.16 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 66.05 1d3a h ILE 119 Cb 0.50 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1d3a h ILE 119 CO 0.02 0.06 0.57 0.24 0.00 0.00 0.00 178.15 179.04 1d3a h MET 120 N 0.31 0.69 0.00 2.37 2.86 -1.31 -0.35 114.93 119.51 1d3a h MET 120 Ca 0.11 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1d3a h MET 120 Cb 0.02 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1d3a h MET 120 CO -0.07 0.46 -0.00 0.93 1.06 0.00 0.00 176.91 179.29 1d3a h GLU 121 N 0.71 -0.00 -0.59 1.72 5.08 -1.08 -1.68 114.58 118.75 1d3a h GLU 121 Ca 0.43 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.83 1d3a h GLU 121 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1d3a h GLU 121 CO -0.19 0.31 0.35 0.22 -1.00 0.00 0.00 179.01 178.69 1d3a h ASP 122 N -0.31 0.55 0.88 1.42 -0.00 -0.17 0.25 116.42 119.04 1d3a h ASP 122 Ca -0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 57.00 1d3a h ASP 122 Cb 0.31 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.55 1d3a h ASP 122 CO 0.00 0.38 -0.46 0.40 -0.00 0.00 0.00 179.24 179.56 1d3a h ILE 123 N 0.67 0.08 -0.47 2.25 2.04 -1.04 0.56 117.51 121.60 1d3a h ILE 123 Ca 0.25 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.24 1d3a h ILE 123 Cb 0.07 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1d3a h ILE 123 CO -0.12 0.00 0.39 -0.61 0.00 0.00 0.00 178.15 177.80 1d3a h GLN 124 N -1.22 0.00 0.50 2.37 4.15 -1.15 -0.71 115.11 119.05 1d3a h GLN 124 Ca -0.12 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1d3a h GLN 124 Cb 0.95 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1d3a h GLN 124 CO 0.17 0.00 -0.24 1.03 -1.93 0.00 0.00 178.83 177.87 1d3a h SER 125 N 0.00 -0.56 -0.93 -0.69 0.87 -0.18 -0.22 113.55 111.85 1d3a h SER 125 Ca 0.22 0.02 0.21 0.00 -1.23 0.00 0.00 61.79 61.01 1d3a h SER 125 Cb 0.99 0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 62.98 1d3a h SER 125 CO -0.00 -0.28 0.48 0.28 -0.53 0.00 0.00 176.83 176.78 1d3a h SER 126 N -0.91 0.50 -0.30 6.23 0.02 0.10 -0.67 113.55 118.51 1d3a h SER 126 Ca -0.07 0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1d3a h SER 126 Cb 0.51 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1d3a h SER 126 CO 0.11 0.09 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.70 1d3a h LEU 127 N 0.52 0.63 -2.17 5.07 3.38 -1.18 -3.19 115.31 118.38 1d3a h LEU 127 Ca 0.57 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1d3a h LEU 127 Cb 1.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1d3a h LEU 127 CO -0.47 0.89 0.14 0.44 0.09 0.00 0.00 178.44 179.52 1d3a h ASP 128 N 0.37 0.00 -0.28 -0.43 3.32 0.54 -1.26 116.42 118.69 1d3a h ASP 128 Ca 0.07 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1d3a h ASP 128 Cb 0.64 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1d3a h ASP 128 CO 0.04 0.00 0.08 -1.84 -1.72 0.00 0.00 179.24 175.80 1d3a n GLU 129 N -4.12 2.24 0.00 3.56 0.28 -1.02 -3.52 120.64 118.06 1d3a n GLU 129 Ca 0.01 -1.25 0.00 0.00 -0.16 0.00 0.00 57.16 55.76 1d3a n GLU 129 Cb 0.26 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.43 1d3a n GLU 129 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1d3a n HIS 130 N 0.13 0.00 -4.42 -1.84 8.25 -0.69 -5.09 115.22 111.56 1d3a n HIS 130 Ca 0.15 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.39 1d3a n HIS 130 Cb 0.74 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.76 1d3a n HIS 130 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1d3a s ASN 131 N 0.00 2.17 0.14 0.41 -0.87 -0.56 -4.05 114.94 112.18 1d3a s ASN 131 Ca 0.00 -1.59 -0.34 0.00 -1.57 0.00 0.00 52.86 49.36 1d3a s ASN 131 Cb 0.00 0.37 -0.17 0.00 -0.02 0.00 0.00 41.25 41.44 1d3a s ASN 131 CO 0.00 -0.87 1.09 -0.67 -2.57 0.00 0.00 177.10 174.08 1d3a n ASP 132 N -1.07 0.84 -3.61 -1.22 4.64 -1.26 -4.42 116.55 110.44 1d3a n ASP 132 Ca -0.02 1.14 -0.06 0.00 -1.38 0.00 0.00 54.79 54.47 1d3a n ASP 132 Cb 0.65 -1.13 -0.04 0.00 -1.04 0.00 0.00 41.12 39.56 1d3a n ASP 132 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 1d3a s TYR 133 N -0.18 -0.19 -0.08 -0.67 1.13 -1.26 -4.83 117.35 111.26 1d3a s TYR 133 Ca 0.76 0.31 -0.14 0.00 -1.41 0.00 0.00 57.07 56.59 1d3a s TYR 133 Cb -0.95 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 40.34 1d3a s TYR 133 CO 0.53 -0.19 0.35 0.42 -2.51 0.00 0.00 175.55 174.15 1d3a s ILE 134 N -1.25 5.19 -0.01 -3.49 1.01 -1.05 -4.93 121.20 116.67 1d3a s ILE 134 Ca 0.04 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.45 1d3a s ILE 134 Cb -0.01 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1d3a s ILE 134 CO -0.04 0.49 -0.18 -0.94 0.00 0.00 0.00 174.94 174.28 1d3a s SER 135 N -0.37 3.78 -0.20 3.58 1.04 0.65 -0.36 113.70 121.82 1d3a s SER 135 Ca 0.21 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.31 1d3a s SER 135 Cb -0.15 -0.68 0.05 0.00 0.10 0.00 0.00 66.02 65.35 1d3a s SER 135 CO 0.09 0.31 -0.05 -0.22 0.98 0.00 0.00 173.24 174.34 1d3a s LEU 136 N -0.98 2.04 -0.16 2.42 2.96 0.23 -1.24 118.68 123.95 1d3a s LEU 136 Ca 0.12 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 53.10 1d3a s LEU 136 Cb -0.10 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 1d3a s LEU 136 CO 0.02 -0.21 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.89 1d3a s THR 137 N 1.52 3.56 -0.27 3.68 2.01 -0.56 -0.65 115.64 124.94 1d3a s THR 137 Ca -0.02 -0.47 0.21 0.00 0.31 0.00 0.00 61.69 61.72 1d3a s THR 137 Cb -0.17 -2.55 -0.30 0.00 0.01 0.00 0.00 72.50 69.49 1d3a s THR 137 CO -0.07 0.49 0.57 0.35 -0.69 0.00 0.00 174.62 175.27 1d3a n THR 138 N 3.77 0.00 -1.56 -0.82 -2.24 0.20 -1.19 114.28 112.43 1d3a n THR 138 Ca -0.18 -0.36 -0.53 0.00 -2.27 0.00 0.00 64.05 60.71 1d3a n THR 138 Cb 0.52 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 1d3a n THR 138 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1d3a n SER 139 N -2.04 1.12 -4.88 3.42 7.64 -1.23 -4.61 113.62 113.04 1d3a n SER 139 Ca -0.02 1.13 -0.36 0.00 1.01 0.00 0.00 58.87 60.63 1d3a n SER 139 Cb 0.49 -1.12 -0.06 0.00 -1.01 0.00 0.00 64.21 62.52 1d3a n SER 139 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1d3a s ASN 140 N 0.26 6.49 -0.11 6.43 0.01 -1.26 -1.62 114.94 125.13 1d3a s ASN 140 Ca 0.84 0.57 -0.29 0.00 -0.71 0.00 0.00 52.86 53.27 1d3a s ASN 140 Cb -1.02 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 38.51 1d3a s ASN 140 CO 0.50 0.33 1.42 -2.84 -1.51 0.00 0.00 177.10 175.00 1d3a s PRO 141 N -1.34 4.22 0.27 -0.60 0.02 -1.26 -4.80 135.00 131.50 1d3a s PRO 141 Ca 0.21 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 1d3a s PRO 141 Cb -0.13 -3.84 0.34 0.00 0.02 0.00 0.00 34.50 30.89 1d3a s PRO 141 CO 0.11 -0.75 1.86 -0.24 -0.33 0.00 0.00 177.00 177.65 1d3a h VAL 142 N 5.49 1.23 -0.07 3.83 3.04 -1.56 0.37 116.25 128.59 1d3a h VAL 142 Ca -0.32 -0.67 -0.00 0.00 -1.01 0.00 0.00 66.70 64.70 1d3a h VAL 142 Cb 1.14 0.31 -0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1d3a h VAL 142 CO 0.96 0.28 0.03 0.44 -1.01 0.00 0.00 177.57 178.27 1d3a h ASP 143 N 1.03 0.09 0.02 3.17 3.32 -1.89 -0.75 116.42 121.41 1d3a h ASP 143 Ca 0.25 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1d3a h ASP 143 Cb 0.12 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1d3a h ASP 143 CO -0.03 0.23 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.64 1d3a h LEU 144 N -0.06 -0.02 -1.71 1.55 3.38 -1.84 -2.22 115.31 114.40 1d3a h LEU 144 Ca 0.02 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1d3a h LEU 144 Cb 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1d3a h LEU 144 CO -0.00 0.47 -0.18 -0.07 0.09 0.00 0.00 178.44 178.75 1d3a h LEU 145 N -0.52 0.00 0.17 1.67 3.38 -0.98 -1.05 115.31 117.99 1d3a h LEU 145 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 1d3a h LEU 145 Cb 0.49 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1d3a h LEU 145 CO 0.00 0.18 -1.06 -1.13 0.09 0.00 0.00 178.44 176.52 1d3a h ASN 146 N 0.00 0.64 -0.15 -0.43 -1.24 -1.18 -2.72 115.58 110.49 1d3a h ASN 146 Ca -0.00 -0.92 0.05 0.00 0.71 0.00 0.00 56.30 56.13 1d3a h ASN 146 Cb 0.34 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 39.12 1d3a h ASN 146 CO 0.02 1.51 -0.37 -0.09 -1.29 0.00 0.00 177.43 177.21 1d3a h ARG 147 N -0.13 -0.42 -0.60 6.67 9.65 -1.02 -2.07 114.38 126.47 1d3a h ARG 147 Ca -0.18 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 58.84 1d3a h ARG 147 Cb 1.83 0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 30.41 1d3a h ARG 147 CO 0.20 -0.28 0.12 1.25 2.80 0.00 0.00 179.97 184.06 1d3a h HIS 148 N -0.43 0.18 -0.07 2.20 2.76 -1.27 0.15 115.15 118.67 1d3a h HIS 148 Ca 0.09 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1d3a h HIS 148 Cb 0.59 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 1d3a h HIS 148 CO -0.46 -0.04 0.14 -0.07 -1.30 0.00 0.00 177.93 176.20 1d3a h LEU 149 N 0.24 0.00 0.00 0.26 3.38 -1.04 -1.33 115.31 116.82 1d3a h LEU 149 Ca 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1d3a h LEU 149 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1d3a h LEU 149 CO -0.41 0.00 -0.06 0.22 0.09 0.00 0.00 178.44 178.28 1d3a h TYR 150 N 0.00 0.00 0.04 1.13 3.20 -0.50 -3.19 116.97 117.65 1d3a h TYR 150 Ca 0.03 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1d3a h TYR 150 Cb 0.31 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1d3a h TYR 150 CO 0.00 0.09 -0.42 0.93 -1.64 0.00 0.00 178.16 177.12 1d3a h GLU 151 N -1.00 -0.54 0.00 1.82 4.39 -1.27 0.57 114.58 118.55 1d3a h GLU 151 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1d3a h GLU 151 Cb 0.13 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1d3a h GLU 151 CO -0.00 -0.36 0.00 0.00 -1.16 0.00 0.00 179.01 177.49 1d3a n ALA 152 N -2.85 1.75 -2.57 3.43 0.00 -0.52 -4.74 120.51 115.01 1d3a n ALA 152 Ca -0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 1d3a n ALA 152 Cb 0.32 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 1d3a n ALA 152 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1d3a s GLY 153 N -1.79 2.57 -0.11 0.00 0.00 0.19 -5.02 107.32 103.16 1d3a s GLY 153 Ca 0.02 -1.34 0.15 0.00 0.00 0.00 0.00 44.72 43.55 1d3a s GLY 153 CO 0.01 -1.94 1.19 1.22 0.00 0.00 0.00 173.10 173.58 1d3a n ASP 154 N -1.11 2.67 -4.93 1.64 9.92 -1.26 -4.93 116.55 118.55 1d3a n ASP 154 Ca -0.08 -2.84 -0.29 0.00 -0.53 0.00 0.00 54.79 51.04 1d3a n ASP 154 Cb 0.66 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.73 1d3a n ASP 154 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1d3a s ARG 155 N -2.47 3.43 1.10 -1.24 0.52 -1.26 -5.09 118.95 113.94 1d3a s ARG 155 Ca 0.29 -0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.81 1d3a s ARG 155 Cb 0.24 -3.01 0.07 0.00 0.52 0.00 0.00 34.95 32.77 1d3a s ARG 155 CO 0.05 0.58 -0.12 0.45 0.02 0.00 0.00 175.30 176.27 1d3a n SER 156 N -0.01 -2.45 0.12 0.23 2.88 -1.26 -4.89 113.62 108.23 1d3a n SER 156 Ca -0.06 -0.07 0.12 0.00 -1.33 0.00 0.00 58.87 57.53 1d3a n SER 156 Cb 0.52 -0.93 0.26 0.00 -0.75 0.00 0.00 64.21 63.31 1d3a n SER 156 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1d3a h ARG 157 N -1.92 0.00 -0.77 -1.46 0.11 -1.97 -3.27 114.38 105.10 1d3a h ARG 157 Ca -0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1d3a h ARG 157 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 1d3a h ARG 157 CO 0.36 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.82 1d3a n GLU 158 N -2.48 1.66 0.00 0.08 4.71 -1.26 -3.15 120.64 120.21 1d3a n GLU 158 Ca 0.04 -0.58 0.00 0.00 -0.01 0.00 0.00 57.16 56.61 1d3a n GLU 158 Cb 0.47 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 1d3a n GLU 158 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1d3a n GLN 159 N 0.08 -0.17 -3.17 3.49 6.02 -1.23 -2.32 117.38 120.07 1d3a n GLN 159 Ca 0.05 -0.15 -0.35 0.00 -0.01 0.00 0.00 57.00 56.54 1d3a n GLN 159 Cb 0.37 -0.63 -0.03 0.00 1.02 0.00 0.00 30.24 30.96 1d3a n GLN 159 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1d3a n VAL 160 N -0.02 3.89 -3.06 5.09 0.31 -1.19 -0.25 118.33 123.09 1d3a n VAL 160 Ca 0.00 -5.60 -0.39 0.00 -0.01 0.00 0.00 64.34 58.34 1d3a n VAL 160 Cb 0.16 -2.02 -0.05 0.00 -0.91 0.00 0.00 33.84 31.02 1d3a n VAL 160 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1d3a s ILE 161 N -2.85 4.85 -0.14 2.52 1.01 -0.37 -4.74 121.20 121.49 1d3a s ILE 161 Ca 0.37 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.47 1d3a s ILE 161 Cb 0.12 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1d3a s ILE 161 CO 0.03 0.36 -0.09 -0.83 0.00 0.00 0.00 174.94 174.40 1d3a s GLY 162 N 0.08 1.61 0.12 6.18 0.00 -0.77 -1.49 107.32 113.04 1d3a s GLY 162 Ca 0.36 -0.86 -0.26 0.00 0.00 0.00 0.00 44.72 43.95 1d3a s GLY 162 CO 0.20 -0.16 0.82 -0.12 0.00 0.00 0.00 173.10 173.84 1d3a s PHE 163 N 0.31 3.83 0.00 1.90 2.19 -0.34 -1.84 117.98 124.04 1d3a s PHE 163 Ca -0.08 1.63 0.00 0.00 0.33 0.00 0.00 56.93 58.82 1d3a s PHE 163 Cb -0.15 -2.86 0.00 0.00 -1.31 0.00 0.00 43.02 38.70 1d3a s PHE 163 CO 0.04 0.36 0.00 0.41 1.83 0.00 0.00 175.22 177.87 1d3a n GLY 164 N 2.00 -0.77 0.14 13.12 0.00 -1.26 -4.73 105.19 113.69 1d3a n GLY 164 Ca -0.03 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1d3a n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1d3a h GLY 165 N 0.00 -0.06 -0.46 -0.02 0.00 -1.86 -1.68 103.07 98.99 1d3a h GLY 165 Ca 0.00 0.11 0.25 0.00 0.00 0.00 0.00 47.33 47.69 1d3a h GLY 165 CO 0.00 -0.10 0.30 -0.09 0.00 0.00 0.00 176.54 176.65 1d3a h ARG 166 N -0.14 0.23 -0.07 4.80 9.65 -1.86 0.38 114.38 127.38 1d3a h ARG 166 Ca 0.05 -0.01 -0.19 0.00 -1.10 0.00 0.00 59.98 58.73 1d3a h ARG 166 Cb 0.21 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1d3a h ARG 166 CO -0.13 0.15 -0.76 1.25 2.80 0.00 0.00 179.97 183.28 1d3a h LEU 167 N 0.23 0.50 -0.20 3.80 5.85 -1.75 -2.11 115.31 121.63 1d3a h LEU 167 Ca 0.59 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 1d3a h LEU 167 Cb 1.22 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1d3a h LEU 167 CO -0.65 1.09 -0.28 0.44 -0.34 0.00 0.00 178.44 178.70 1d3a h ASP 168 N 0.27 0.58 -0.96 1.25 3.32 0.21 -2.67 116.42 118.43 1d3a h ASP 168 Ca -0.04 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.54 1d3a h ASP 168 Cb 1.35 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 1d3a h ASP 168 CO 0.13 0.98 0.62 0.28 -1.72 0.00 0.00 179.24 179.54 1d3a h SER 169 N 0.20 1.04 -0.26 6.45 0.02 -0.44 0.26 113.55 120.82 1d3a h SER 169 Ca 0.02 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1d3a h SER 169 Cb 0.85 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1d3a h SER 169 CO 0.06 0.71 0.14 0.00 -1.14 0.00 0.00 176.83 176.61 1d3a h ALA 170 N 1.39 0.32 -0.29 3.77 0.00 -1.31 0.13 119.26 123.27 1d3a h ALA 170 Ca 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1d3a h ALA 170 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1d3a h ALA 170 CO -0.12 -0.24 0.04 0.00 0.00 0.00 0.00 179.25 178.92 1d3a h ARG 171 N 0.30 0.48 -0.97 0.00 3.08 -1.06 -2.12 114.38 114.09 1d3a h ARG 171 Ca 0.10 -0.13 0.13 0.00 0.07 0.00 0.00 59.98 60.15 1d3a h ARG 171 Cb 0.00 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 29.91 1d3a h ARG 171 CO -0.05 0.59 0.60 0.35 -1.07 0.00 0.00 179.97 180.39 1d3a h PHE 172 N 0.29 1.07 -0.05 3.04 3.57 -0.12 -0.93 116.94 123.81 1d3a h PHE 172 Ca 0.09 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 1d3a h PHE 172 Cb 0.35 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1d3a h PHE 172 CO 0.02 0.40 -0.62 0.00 -2.23 0.00 0.00 178.31 175.88 1d3a h ARG 173 N 0.92 0.20 -0.16 1.11 3.08 -0.54 -2.74 114.38 116.25 1d3a h ARG 173 Ca 0.49 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 1d3a h ARG 173 Cb 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1d3a h ARG 173 CO -0.28 0.76 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.43 1d3a h TYR 174 N 0.14 0.33 -0.59 3.04 3.20 -0.52 -1.65 116.97 120.93 1d3a h TYR 174 Ca -0.01 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1d3a h TYR 174 Cb 1.13 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1d3a h TYR 174 CO 0.02 0.54 0.34 -0.39 -1.64 0.00 0.00 178.16 177.03 1d3a h VAL 175 N 0.01 1.18 -0.52 1.81 -1.51 -1.34 -2.28 116.25 113.61 1d3a h VAL 175 Ca 0.04 -0.43 0.04 0.00 -1.23 0.00 0.00 66.70 65.12 1d3a h VAL 175 Cb 0.43 0.41 -0.04 0.00 -2.13 0.00 0.00 31.29 29.95 1d3a h VAL 175 CO 0.01 0.19 0.29 -0.07 -1.23 0.00 0.00 177.57 176.76 1d3a h LEU 176 N 0.79 0.44 -1.36 4.19 3.38 -1.43 -1.16 115.31 120.16 1d3a h LEU 176 Ca 0.21 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1d3a h LEU 176 Cb 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1d3a h LEU 176 CO -0.04 0.31 0.02 0.77 0.09 0.00 0.00 178.44 179.59 1d3a h SER 177 N 0.56 0.41 -0.12 -0.43 4.64 -1.00 -1.48 113.55 116.14 1d3a h SER 177 Ca 0.22 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1d3a h SER 177 Cb 0.08 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1d3a h SER 177 CO -0.13 0.46 0.04 -0.33 -0.87 0.00 0.00 176.83 176.00 1d3a h GLU 178 N 0.43 0.18 0.27 4.77 4.39 -0.76 0.19 114.58 124.05 1d3a h GLU 178 Ca 0.10 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1d3a h GLU 178 Cb 0.26 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1d3a h GLU 178 CO 0.01 0.31 -0.24 0.93 -1.16 0.00 0.00 179.01 178.86 1d3a h GLU 179 N 0.01 -0.50 -0.00 2.33 4.39 -0.72 -3.00 114.58 117.08 1d3a h GLU 179 Ca 0.04 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1d3a h GLU 179 Cb 0.21 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1d3a h GLU 179 CO -0.00 -0.34 -0.14 1.19 -1.16 0.00 0.00 179.01 178.56 1d3a n PHE 180 N -5.36 0.00 -3.56 4.33 3.01 -0.60 -4.96 117.46 110.31 1d3a n PHE 180 Ca -0.09 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.11 1d3a n PHE 180 Cb 0.27 -0.21 0.05 0.00 -0.01 0.00 0.00 39.48 39.57 1d3a n PHE 180 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1d3a n ASP 181 N -1.03 -5.73 -4.06 4.37 2.03 0.64 -5.01 116.55 107.76 1d3a n ASP 181 Ca 0.13 -0.91 -0.12 0.00 0.52 0.00 0.00 54.79 54.41 1d3a n ASP 181 Cb 0.29 -3.80 -0.11 0.00 -0.72 0.00 0.00 41.12 36.78 1d3a n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d3a s ALA 182 N -3.41 0.55 -0.11 -1.67 0.00 -0.99 -5.06 121.76 111.08 1d3a s ALA 182 Ca 0.44 -0.80 -0.37 0.00 0.00 0.00 0.00 51.96 51.23 1d3a s ALA 182 Cb -0.13 0.07 -0.14 0.00 0.00 0.00 0.00 23.12 22.91 1d3a s ALA 182 CO 0.83 -0.06 1.69 -2.30 0.00 0.00 0.00 175.76 175.92 1d3a n PRO 183 N 1.33 1.57 -0.06 0.00 -0.02 -1.26 -4.67 135.00 131.89 1d3a n PRO 183 Ca -0.22 0.57 0.25 0.00 -2.02 0.00 0.00 63.50 62.08 1d3a n PRO 183 Cb 0.55 -2.30 0.71 0.00 -0.02 0.00 0.00 33.50 32.44 1d3a n PRO 183 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1d3a h VAL 184 N 4.76 0.39 0.00 -1.45 3.04 -1.92 0.45 116.25 121.53 1d3a h VAL 184 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1d3a h VAL 184 Cb 1.30 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1d3a h VAL 184 CO 0.92 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.48 1d3a n GLN 185 N -3.88 0.47 0.00 4.17 6.02 -1.26 -1.99 117.38 120.92 1d3a n GLN 185 Ca 0.14 0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.25 1d3a n GLN 185 Cb 0.87 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.69 1d3a n GLN 185 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1d3a n ASN 186 N -1.21 2.35 -4.64 1.08 4.13 0.16 -4.93 115.26 112.20 1d3a n ASN 186 Ca 0.14 -1.68 -0.37 0.00 1.68 0.00 0.00 54.58 54.35 1d3a n ASN 186 Cb 0.17 0.02 -0.09 0.00 -1.54 0.00 0.00 39.78 38.34 1d3a n ASN 186 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1d3a s VAL 187 N -1.42 5.30 -0.24 2.41 1.01 -0.84 -2.38 120.40 124.25 1d3a s VAL 187 Ca 0.19 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1d3a s VAL 187 Cb 0.14 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1d3a s VAL 187 CO 0.22 0.29 -0.07 -0.70 0.00 0.00 0.00 175.10 174.84 1d3a s GLU 188 N 1.34 2.92 -0.07 2.72 2.12 0.77 -4.99 118.70 123.51 1d3a s GLU 188 Ca 0.10 -0.92 -0.20 0.00 0.36 0.00 0.00 54.97 54.31 1d3a s GLU 188 Cb -0.14 -2.95 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1d3a s GLU 188 CO 0.07 -0.36 0.46 0.20 -0.54 0.00 0.00 175.26 175.09 1d3a s GLY 189 N 1.34 -0.33 0.04 -1.50 0.00 -1.26 -0.74 107.32 104.87 1d3a s GLY 189 Ca 0.01 0.87 -0.01 0.00 0.00 0.00 0.00 44.72 45.60 1d3a s GLY 189 CO -0.05 0.62 -0.02 -1.59 0.00 0.00 0.00 173.10 172.06 1d3a s THR 190 N -0.90 0.17 -0.12 0.90 2.01 -1.26 -4.76 115.64 111.68 1d3a s THR 190 Ca -0.09 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 60.52 1d3a s THR 190 Cb -0.03 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.58 1d3a s THR 190 CO 0.05 -0.76 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.53 1d3a s ILE 191 N -2.76 0.94 0.09 1.82 1.01 -1.26 -1.90 121.20 119.14 1d3a s ILE 191 Ca -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1d3a s ILE 191 Cb -0.00 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1d3a s ILE 191 CO -0.06 0.32 0.09 0.18 0.00 0.00 0.00 174.94 175.46 1d3a n LEU 192 N 4.96 0.00 0.00 2.97 4.77 -0.53 -4.68 117.00 124.50 1d3a n LEU 192 Ca -0.12 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1d3a n LEU 192 Cb 0.50 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1d3a n LEU 192 CO 0.16 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1d3a n GLY 193 N 3.89 -0.48 3.75 -0.72 0.00 -0.37 0.20 105.19 111.45 1d3a n GLY 193 Ca 0.01 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 1d3a n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1d3a s GLU 194 N 0.00 4.74 -1.18 1.61 2.12 0.22 0.78 118.70 126.99 1d3a s GLU 194 Ca 0.00 1.40 -0.18 0.00 0.36 0.00 0.00 54.97 56.54 1d3a s GLU 194 Cb 0.00 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1d3a s GLU 194 CO 0.00 0.41 2.00 1.58 -0.54 0.00 0.00 175.26 178.71 1d3a n HIS 195 N 2.04 3.11 0.00 5.30 -0.00 -1.26 -3.81 115.22 120.60 1d3a n HIS 195 Ca -0.01 -2.38 0.00 0.00 -0.00 0.00 0.00 57.72 55.33 1d3a n HIS 195 Cb 0.48 -2.31 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 1d3a n HIS 195 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1d3a n GLY 196 N 4.70 -0.44 0.14 1.57 0.00 -1.26 -4.88 105.19 105.02 1d3a n GLY 196 Ca 0.50 0.34 -0.23 0.00 0.00 0.00 0.00 46.02 46.63 1d3a n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1d3a h ASP 197 N 0.00 0.73 -0.45 1.61 5.19 -2.03 -3.37 116.42 118.10 1d3a h ASP 197 Ca 0.00 -0.84 -0.71 0.00 -0.62 0.00 0.00 57.03 54.86 1d3a h ASP 197 Cb 0.00 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.22 1d3a h ASP 197 CO 0.00 1.67 3.02 0.00 -3.12 0.00 0.00 179.24 180.81 1d3a n ALA 198 N -2.72 6.31 -2.88 3.45 0.00 -1.26 -4.93 120.51 118.49 1d3a n ALA 198 Ca -0.17 -3.90 -0.33 0.00 0.00 0.00 0.00 53.44 49.04 1d3a n ALA 198 Cb 1.09 -3.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.14 1d3a n ALA 198 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1d3a s GLN 199 N 1.67 3.17 -0.74 0.00 -2.07 -1.25 0.71 119.66 121.14 1d3a s GLN 199 Ca 0.53 -0.65 -0.18 0.00 -1.82 0.00 0.00 55.36 53.25 1d3a s GLN 199 Cb 0.15 -2.62 0.14 0.00 -1.09 0.00 0.00 33.01 29.59 1d3a s GLN 199 CO -0.06 0.35 0.84 0.08 -1.32 0.00 0.00 175.29 175.18 1d3a s VAL 200 N -0.00 4.98 -0.50 3.63 1.01 0.13 -4.94 120.40 124.70 1d3a s VAL 200 Ca -0.03 -1.50 -0.28 0.00 0.00 0.00 0.00 61.98 60.17 1d3a s VAL 200 Cb -0.14 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.67 1d3a s VAL 200 CO 0.04 -1.22 1.58 -2.84 0.00 0.00 0.00 175.10 172.66 1d3a s PRO 201 N 2.10 3.22 -1.04 2.72 0.02 -1.26 -1.45 135.00 139.31 1d3a s PRO 201 Ca 0.19 0.78 -0.21 0.00 0.02 0.00 0.00 61.00 61.78 1d3a s PRO 201 Cb -0.15 -4.18 -0.09 0.00 0.02 0.00 0.00 34.50 30.10 1d3a s PRO 201 CO -0.02 -2.01 1.94 0.28 -0.33 0.00 0.00 177.00 176.85 1d3a n VAL 202 N 7.09 2.21 0.23 3.83 0.31 -0.80 -4.66 118.33 126.54 1d3a n VAL 202 Ca 0.17 -2.12 0.09 0.00 -0.01 0.00 0.00 64.34 62.47 1d3a n VAL 202 Cb 0.49 -2.29 0.57 0.00 -0.91 0.00 0.00 33.84 31.70 1d3a n VAL 202 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1d3a h PHE 203 N 8.36 0.00 -0.11 3.52 0.04 -1.90 -3.00 116.94 123.84 1d3a h PHE 203 Ca 0.36 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.10 1d3a h PHE 203 Cb 0.78 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1d3a h PHE 203 CO 1.27 0.20 -0.07 0.66 -0.60 0.00 0.00 178.31 179.77 1d3a h SER 204 N 0.00 0.15 -0.50 2.17 4.64 -1.95 -3.03 113.55 115.04 1d3a h SER 204 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1d3a h SER 204 Cb 0.44 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1d3a h SER 204 CO 0.03 0.25 0.00 0.29 -0.87 0.00 0.00 176.83 176.52 1d3a n LYS 205 N -4.37 2.89 -1.89 4.77 5.02 -1.14 -5.01 118.16 118.44 1d3a n LYS 205 Ca -0.01 -2.36 -0.42 0.00 -2.02 0.00 0.00 58.31 53.51 1d3a n LYS 205 Cb 0.20 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1d3a n LYS 205 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1d3a s VAL 206 N -1.14 2.38 -0.02 -0.18 1.01 -1.15 -4.83 120.40 116.48 1d3a s VAL 206 Ca 0.35 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.66 1d3a s VAL 206 Cb 0.19 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1d3a s VAL 206 CO 0.22 0.04 -0.08 -0.60 0.00 0.00 0.00 175.10 174.68 1d3a s ARG 207 N -0.07 0.79 -0.18 2.72 3.52 0.08 -4.24 118.95 121.58 1d3a s ARG 207 Ca 0.64 -0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.91 1d3a s ARG 207 Cb -0.45 -0.76 0.06 0.00 -1.56 0.00 0.00 34.95 32.24 1d3a s ARG 207 CO 0.42 0.14 0.07 0.08 -0.81 0.00 0.00 175.30 175.20 1d3a s VAL 208 N 0.04 0.15 -1.20 7.11 1.01 -0.66 -0.16 120.40 126.68 1d3a s VAL 208 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1d3a s VAL 208 Cb -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1d3a s VAL 208 CO 0.00 -0.24 0.00 0.47 0.00 0.00 0.00 175.10 175.33 1d3a n ASP 209 N 5.19 -4.27 0.00 3.32 8.00 -1.00 -2.22 116.55 125.56 1d3a n ASP 209 Ca -0.08 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1d3a n ASP 209 Cb 0.48 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.18 1d3a n ASP 209 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d3a n GLY 210 N -1.04 1.85 3.92 0.44 0.00 -1.26 -5.04 105.19 104.06 1d3a n GLY 210 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1d3a n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d3a s THR 210 N -2.54 4.25 -0.65 2.61 -4.23 -0.94 -5.06 115.64 109.07 1d3a s THR 210 Ca 0.00 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1d3a s THR 210 Cb 0.00 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.39 1d3a s THR 210 CO 0.00 -0.59 0.50 0.47 -0.54 0.00 0.00 174.62 174.46 1d3a n ASP 211 N -2.34 2.51 -4.52 3.99 9.92 -1.26 -1.66 116.55 123.19 1d3a n ASP 211 Ca 0.02 -3.10 -0.38 0.00 -0.53 0.00 0.00 54.79 50.81 1d3a n ASP 211 Cb 0.57 -0.72 0.05 0.00 -0.64 0.00 0.00 41.12 40.37 1d3a n ASP 211 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1d3a n PRO 212 N 1.98 0.61 -4.33 -0.24 -0.02 -1.26 -5.00 135.00 126.73 1d3a n PRO 212 Ca 0.22 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 1d3a n PRO 212 Cb 0.38 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 1d3a n PRO 212 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1d3a s GLU 219 N -2.39 3.55 -0.24 -0.52 2.02 -1.26 -4.91 118.70 114.96 1d3a s GLU 219 Ca 0.71 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 55.21 1d3a s GLU 219 Cb -0.42 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1d3a s GLU 219 CO 0.52 0.36 -0.05 -0.06 0.02 0.00 0.00 175.26 176.05 1d3a s PHE 220 N 0.05 3.01 0.79 1.61 0.08 -1.26 -5.10 117.98 117.16 1d3a s PHE 220 Ca 0.02 -1.30 -0.11 0.00 0.12 0.00 0.00 56.93 55.66 1d3a s PHE 220 Cb -0.13 -2.08 0.07 0.00 -0.57 0.00 0.00 43.02 40.30 1d3a s PHE 220 CO 0.02 -0.66 1.09 -1.54 -0.10 0.00 0.00 175.22 174.04 1d3a s SER 221 N 1.39 4.36 0.54 1.36 1.04 -1.26 -4.81 113.70 116.32 1d3a s SER 221 Ca 0.03 1.83 0.21 0.00 0.48 0.00 0.00 55.95 58.50 1d3a s SER 221 Cb -0.16 -2.51 1.44 0.00 0.10 0.00 0.00 66.02 64.90 1d3a s SER 221 CO -0.04 -2.13 2.15 1.23 0.98 0.00 0.00 173.24 175.43 1d3a h GLY 222 N -1.20 0.00 0.98 7.32 0.00 -2.00 -1.73 103.07 106.45 1d3a h GLY 222 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1d3a h GLY 222 CO 0.51 0.00 -0.78 2.09 0.00 0.00 0.00 176.54 178.35 1d3a n ASP 223 N -4.31 0.69 0.10 0.19 5.75 -1.26 -2.76 116.55 114.94 1d3a n ASP 223 Ca -0.01 0.05 -0.22 0.00 -0.01 0.00 0.00 54.79 54.59 1d3a n ASP 223 Cb 0.17 0.38 -0.14 0.00 -1.03 0.00 0.00 41.12 40.49 1d3a n ASP 223 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1d3a h GLU 224 N 0.00 0.55 -0.91 0.11 5.08 -1.70 -2.50 114.58 115.22 1d3a h GLU 224 Ca 0.00 -0.79 -0.01 0.00 -1.00 0.00 0.00 59.36 57.56 1d3a h GLU 224 Cb 0.77 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1d3a h GLU 224 CO 0.00 1.36 0.53 0.87 -1.00 0.00 0.00 179.01 180.77 1d3a h LYS 225 N 0.12 1.24 -0.43 2.33 1.57 -1.44 -1.04 116.57 118.91 1d3a h LYS 225 Ca -0.19 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1d3a h LYS 225 Cb 1.91 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.95 1d3a h LYS 225 CO 0.23 0.88 -0.16 1.49 -0.57 0.00 0.00 179.45 181.33 1d3a h GLU 226 N 1.26 0.82 -0.29 3.15 4.81 -1.54 -0.66 114.58 122.13 1d3a h GLU 226 Ca 0.32 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1d3a h GLU 226 Cb -0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1d3a h GLU 226 CO -0.06 0.92 -0.25 0.37 -0.73 0.00 0.00 179.01 179.26 1d3a h GLN 227 N 0.73 0.56 0.08 1.92 4.15 -0.95 -1.91 115.11 119.69 1d3a h GLN 227 Ca 0.11 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1d3a h GLN 227 Cb 0.66 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1d3a h GLN 227 CO 0.05 0.77 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.61 1d3a h LEU 228 N 0.49 -0.09 -1.92 -2.39 3.38 -0.91 -0.75 115.31 113.12 1d3a h LEU 228 Ca 0.07 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1d3a h LEU 228 Cb 0.70 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1d3a h LEU 228 CO 0.05 0.41 0.10 -0.07 0.09 0.00 0.00 178.44 179.02 1d3a h LEU 229 N -0.62 0.00 0.28 1.67 3.38 -1.12 0.91 115.31 119.81 1d3a h LEU 229 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1d3a h LEU 229 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1d3a h LEU 229 CO 0.02 0.00 -0.13 1.23 0.09 0.00 0.00 178.44 179.64 1d3a h GLY 230 N 0.00 -0.39 0.88 0.83 0.00 -0.49 -2.28 103.07 101.62 1d3a h GLY 230 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.60 1d3a h GLY 230 CO 0.00 -0.14 0.45 -0.55 0.00 0.00 0.00 176.54 176.30 1d3a h ASP 231 N -1.06 0.36 0.66 0.19 3.32 0.11 -1.71 116.42 118.30 1d3a h ASP 231 Ca -0.04 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1d3a h ASP 231 Cb 0.29 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1d3a h ASP 231 CO 0.06 0.20 -0.32 0.25 -1.72 0.00 0.00 179.24 177.72 1d3a h LEU 232 N 0.39 -0.75 -0.53 1.55 5.85 -0.92 0.54 115.31 121.44 1d3a h LEU 232 Ca 0.32 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1d3a h LEU 232 Cb 0.70 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.85 1d3a h LEU 232 CO -0.09 -0.51 0.08 -0.61 -0.34 0.00 0.00 178.44 176.97 1d3a h GLN 233 N -0.94 0.20 -0.45 1.25 -0.00 -0.79 -1.25 115.11 113.13 1d3a h GLN 233 Ca -0.09 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.52 1d3a h GLN 233 Cb 0.70 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.11 1d3a h GLN 233 CO 0.15 0.13 0.16 1.49 0.00 0.00 0.00 178.83 180.77 1d3a h GLU 234 N 0.21 0.69 -0.90 1.69 4.81 -1.20 -0.61 114.58 119.26 1d3a h GLU 234 Ca 0.27 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1d3a h GLU 234 Cb 0.40 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1d3a h GLU 234 CO -0.38 0.65 0.56 1.03 -0.73 0.00 0.00 179.01 180.13 1d3a h SER 235 N 0.59 1.07 0.24 1.04 0.87 -0.24 -0.87 113.55 116.24 1d3a h SER 235 Ca 0.15 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1d3a h SER 235 Cb 0.23 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1d3a h SER 235 CO -0.01 0.81 -0.29 0.00 -0.53 0.00 0.00 176.83 176.81 1d3a h ALA 236 N 1.38 1.43 -0.12 6.23 0.00 -0.81 -2.26 119.26 125.09 1d3a h ALA 236 Ca 0.33 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1d3a h ALA 236 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1d3a h ALA 236 CO -0.06 0.42 -0.51 0.52 0.00 0.00 0.00 179.25 179.61 1d3a h MET 237 N 0.08 0.34 -0.18 0.00 2.07 0.22 -2.09 114.93 115.38 1d3a h MET 237 Ca 0.01 -0.20 0.05 0.00 -2.07 0.00 0.00 59.70 57.50 1d3a h MET 237 Cb 0.56 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.30 1d3a h MET 237 CO 0.04 0.77 0.14 -0.44 1.07 0.00 0.00 176.91 178.49 1d3a h ASP 238 N 0.27 0.00 0.33 1.22 3.32 -0.69 0.33 116.42 121.20 1d3a h ASP 238 Ca 0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1d3a h ASP 238 Cb 0.99 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1d3a h ASP 238 CO 0.08 0.00 -1.78 0.55 -1.72 0.00 0.00 179.24 176.37 1d3a n VAL 239 N -4.29 0.70 0.02 -1.35 3.14 -1.07 -2.64 118.33 112.84 1d3a n VAL 239 Ca 0.01 -0.63 -0.06 0.00 -2.96 0.00 0.00 64.34 60.70 1d3a n VAL 239 Cb 0.27 -0.34 -0.11 0.00 -1.06 0.00 0.00 33.84 32.60 1d3a n VAL 239 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1d3a h ILE 240 N 0.00 1.01 0.00 1.55 2.04 -0.62 -2.99 117.51 118.50 1d3a h ILE 240 Ca -0.16 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 62.97 1d3a h ILE 240 Cb 1.42 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1d3a h ILE 240 CO 0.02 0.57 -0.27 1.21 0.00 0.00 0.00 178.15 179.68 1d3a n GLU 241 N -3.11 0.14 0.16 2.37 2.13 0.11 -3.61 120.64 118.84 1d3a n GLU 241 Ca -0.10 0.06 0.19 0.00 0.66 0.00 0.00 57.16 57.97 1d3a n GLU 241 Cb 0.96 -0.64 0.79 0.00 0.27 0.00 0.00 31.44 32.82 1d3a n GLU 241 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1d3a h ARG 242 N -0.27 0.00 0.00 5.31 2.47 -1.58 -2.67 114.38 117.63 1d3a h ARG 242 Ca 0.00 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.39 1d3a h ARG 242 Cb 0.27 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.54 1d3a h ARG 242 CO 0.00 0.00 -2.18 1.17 0.56 0.00 0.00 179.97 179.52 1d3a n LYS 243 N -3.66 0.49 0.00 0.04 4.81 -1.08 -5.01 118.16 113.75 1d3a n LYS 243 Ca 0.04 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1d3a n LYS 243 Cb 0.48 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.17 1d3a n LYS 243 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d3a n GLY 244 N 2.23 1.94 3.62 3.14 0.00 -1.01 -5.03 105.19 110.09 1d3a n GLY 244 Ca -0.38 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1d3a n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d3a s ALA 245 N -2.42 -1.85 -0.15 4.61 0.00 -1.14 -4.88 121.76 115.92 1d3a s ALA 245 Ca 0.00 1.92 -0.25 0.00 0.00 0.00 0.00 51.96 53.62 1d3a s ALA 245 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1d3a s ALA 245 CO 0.00 -0.31 0.83 0.95 0.00 0.00 0.00 175.76 177.24 1d3a s THR 246 N 0.17 4.89 0.00 0.00 -4.23 -1.26 -4.80 115.64 110.42 1d3a s THR 246 Ca 0.00 1.64 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 1d3a s THR 246 Cb -0.05 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.65 1d3a s THR 246 CO -0.01 0.05 0.00 1.21 -0.54 0.00 0.00 174.62 175.33 1d3a n GLU 247 N 5.06 0.00 0.30 3.99 2.13 -1.26 -4.57 120.64 126.29 1d3a n GLU 247 Ca 0.04 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.69 1d3a n GLU 247 Cb 0.49 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.12 1d3a n GLU 247 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 1d3a h TRP 248 N 0.00 -0.93 -0.57 4.31 -0.00 -1.97 -1.41 115.95 115.37 1d3a h TRP 248 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 58.94 1d3a h TRP 248 Cb 0.00 0.34 -0.07 0.00 -0.00 0.00 0.00 29.16 29.43 1d3a h TRP 248 CO 0.00 -0.53 -0.34 0.41 -0.00 0.00 0.00 178.44 177.99 1d3a n GLY 249 N -1.48 -2.41 0.17 1.49 0.00 -1.26 -2.02 105.19 99.68 1d3a n GLY 249 Ca -0.12 0.85 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 1d3a n GLY 249 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1d3a h PRO 250 N 0.00 0.49 0.32 1.61 0.11 -1.88 -2.97 132.00 129.68 1d3a h PRO 250 Ca 0.09 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1d3a h PRO 250 Cb 0.23 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 1d3a h PRO 250 CO -0.54 0.51 -0.47 0.00 -0.21 0.00 0.00 178.00 177.29 1d3a h ALA 251 N 0.96 -0.96 -0.07 -0.75 0.00 -0.63 -0.32 119.26 117.49 1d3a h ALA 251 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1d3a h ALA 251 Cb 0.21 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1d3a h ALA 251 CO -0.01 -1.09 -0.15 -0.09 0.00 0.00 0.00 179.25 177.91 1d3a h ARG 252 N -0.84 -0.21 -1.01 0.00 9.65 -1.53 -1.81 114.38 118.63 1d3a h ARG 252 Ca -0.03 0.01 0.24 0.00 -1.10 0.00 0.00 59.98 59.11 1d3a h ARG 252 Cb 0.78 0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 29.29 1d3a h ARG 252 CO -0.15 -0.14 0.62 0.78 2.80 0.00 0.00 179.97 183.88 1d3a h GLY 253 N -0.22 1.70 0.57 2.80 0.00 -1.33 0.90 103.07 107.49 1d3a h GLY 253 Ca 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1d3a h GLY 253 CO -0.20 -0.18 -0.08 -2.08 0.00 0.00 0.00 176.54 174.00 1d3a h VAL 254 N 0.57 1.41 -0.97 4.60 2.07 -0.36 -2.75 116.25 120.83 1d3a h VAL 254 Ca 0.62 -1.35 0.12 0.00 0.82 0.00 0.00 66.70 66.91 1d3a h VAL 254 Cb 1.22 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 33.10 1d3a h VAL 254 CO -0.41 0.37 0.61 0.00 0.02 0.00 0.00 177.57 178.17 1d3a h ALA 255 N 0.50 1.60 -0.39 1.67 0.00 -0.43 -1.10 119.26 121.10 1d3a h ALA 255 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1d3a h ALA 255 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1d3a h ALA 255 CO 0.02 0.17 0.25 1.25 0.00 0.00 0.00 179.25 180.94 1d3a h HIS 256 N 0.93 0.47 -0.29 0.00 2.76 -0.77 -1.99 115.15 116.26 1d3a h HIS 256 Ca 0.47 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.59 1d3a h HIS 256 Cb 0.51 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1d3a h HIS 256 CO -0.00 0.29 -0.08 0.52 -1.30 0.00 0.00 177.93 177.36 1d3a h MET 257 N 0.51 0.56 -0.14 5.26 2.86 -0.95 -2.49 114.93 120.54 1d3a h MET 257 Ca 0.15 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1d3a h MET 257 Cb -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1d3a h MET 257 CO -0.04 0.77 0.11 0.28 1.06 0.00 0.00 176.91 179.09 1d3a h VAL 258 N 0.32 0.73 0.17 -2.22 2.07 -1.14 -0.69 116.25 115.49 1d3a h VAL 258 Ca 0.07 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.28 1d3a h VAL 258 Cb 0.57 0.92 0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1d3a h VAL 258 CO 0.03 0.00 -1.34 -0.08 0.02 0.00 0.00 177.57 176.20 1d3a h GLU 259 N 0.00 0.59 -0.60 1.57 4.81 -1.18 -0.02 114.58 119.75 1d3a h GLU 259 Ca 0.06 -0.87 0.09 0.00 -0.13 0.00 0.00 59.36 58.51 1d3a h GLU 259 Cb 0.29 0.30 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 1d3a h GLU 259 CO -0.00 1.41 0.24 0.00 -0.73 0.00 0.00 179.01 179.93 1d3a h ALA 260 N 0.24 0.78 -0.01 2.92 0.00 -0.72 0.30 119.26 122.77 1d3a h ALA 260 Ca -0.22 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1d3a h ALA 260 Cb 2.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1d3a h ALA 260 CO 0.25 -0.16 0.00 -0.89 0.00 0.00 0.00 179.25 178.45 1d3a n ILE 261 N -4.97 0.00 -0.36 0.00 5.41 -0.46 -0.75 119.36 118.24 1d3a n ILE 261 Ca 0.08 1.00 0.36 0.00 1.00 0.00 0.00 62.75 65.19 1d3a n ILE 261 Cb 0.25 -2.00 0.73 0.00 -0.71 0.00 0.00 39.64 37.91 1d3a n ILE 261 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1d3a h LEU 262 N 0.00 0.05 -1.91 1.39 3.38 -0.95 0.73 115.31 118.00 1d3a h LEU 262 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1d3a h LEU 262 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1d3a h LEU 262 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 1d3a n HIS 263 N -4.22 0.08 -3.66 1.13 8.25 0.10 -4.99 115.22 111.91 1d3a n HIS 263 Ca 0.27 -0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 57.42 1d3a n HIS 263 Cb 1.28 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.43 1d3a n HIS 263 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1d3a n ASP 264 N 1.22 -4.37 0.02 0.41 2.03 0.25 -4.88 116.55 111.24 1d3a n ASP 264 Ca 0.13 -0.95 0.13 0.00 0.52 0.00 0.00 54.79 54.62 1d3a n ASP 264 Cb 0.54 -3.67 0.40 0.00 -0.72 0.00 0.00 41.12 37.67 1d3a n ASP 264 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1d3a n THR 265 N -4.10 0.10 -1.62 5.18 -2.24 0.07 -4.85 114.28 106.82 1d3a n THR 265 Ca -0.14 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 1d3a n THR 265 Cb 0.62 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1d3a n THR 265 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d3a n GLY 266 N 1.46 1.46 3.78 3.38 0.00 -0.22 -4.97 105.19 110.08 1d3a n GLY 266 Ca 0.06 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1d3a n GLY 266 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1d3a s GLU 267 N -3.67 3.43 -0.37 1.61 2.12 -1.23 -4.63 118.70 115.97 1d3a s GLU 267 Ca 0.00 1.55 -0.07 0.00 0.36 0.00 0.00 54.97 56.82 1d3a s GLU 267 Cb 0.00 -2.02 0.06 0.00 0.26 0.00 0.00 34.13 32.43 1d3a s GLU 267 CO 0.00 -0.77 0.16 0.08 -0.54 0.00 0.00 175.26 174.19 1d3a s VAL 268 N -1.83 3.86 0.28 3.70 1.01 -1.26 -0.51 120.40 125.66 1d3a s VAL 268 Ca 0.71 -1.30 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1d3a s VAL 268 Cb -0.22 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1d3a s VAL 268 CO 0.26 -0.33 -0.16 -0.76 0.00 0.00 0.00 175.10 174.12 1d3a s LEU 269 N 1.38 2.61 -0.22 3.92 1.43 -0.03 -4.86 118.68 122.90 1d3a s LEU 269 Ca 0.01 -1.08 -0.27 0.00 -1.03 0.00 0.00 54.13 51.76 1d3a s LEU 269 Cb -0.21 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1d3a s LEU 269 CO 0.02 -0.08 0.94 -2.16 0.23 0.00 0.00 176.35 175.30 1d3a s PRO 270 N -3.57 4.24 0.07 1.29 0.04 -1.26 -1.30 135.00 134.51 1d3a s PRO 270 Ca 0.29 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.53 1d3a s PRO 270 Cb -0.02 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 1d3a s PRO 270 CO 0.14 -0.55 -0.09 0.00 0.04 0.00 0.00 177.00 176.54 1d3a s ALA 271 N 2.92 0.87 -0.42 8.56 0.00 -0.55 -2.88 121.76 130.26 1d3a s ALA 271 Ca 0.40 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1d3a s ALA 271 Cb -0.15 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1d3a s ALA 271 CO 0.08 -0.07 0.50 0.45 0.00 0.00 0.00 175.76 176.72 1d3a s SER 272 N -2.21 6.24 0.37 0.00 0.15 -0.77 -0.45 113.70 117.04 1d3a s SER 272 Ca 0.00 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.13 1d3a s SER 272 Cb -0.04 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1d3a s SER 272 CO -0.01 -0.64 0.08 0.68 1.20 0.00 0.00 173.24 174.55 1d3a s VAL 273 N 2.35 0.99 -0.27 4.45 -7.23 -1.09 -1.85 120.40 117.75 1d3a s VAL 273 Ca 0.15 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 1d3a s VAL 273 Cb -0.16 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.21 1d3a s VAL 273 CO 0.15 0.00 1.00 -0.75 -0.31 0.00 0.00 175.10 175.19 1d3a s LYS 274 N -3.82 4.17 0.10 4.82 2.47 -1.26 -3.46 119.74 122.76 1d3a s LYS 274 Ca 0.29 1.15 -0.27 0.00 -1.56 0.00 0.00 55.97 55.59 1d3a s LYS 274 Cb 0.06 -3.68 -0.06 0.00 -1.46 0.00 0.00 37.83 32.69 1d3a s LYS 274 CO 0.14 -0.70 0.83 -0.51 0.16 0.00 0.00 175.35 175.27 1d3a s LEU 275 N 3.27 4.51 -0.42 5.43 1.43 -0.73 -4.99 118.68 127.18 1d3a s LEU 275 Ca 0.42 1.61 0.11 0.00 -1.03 0.00 0.00 54.13 55.24 1d3a s LEU 275 Cb -0.14 -3.36 0.36 0.00 0.03 0.00 0.00 46.19 43.08 1d3a s LEU 275 CO 0.10 0.05 0.81 -0.62 0.23 0.00 0.00 176.35 176.92 1d3a n GLU 276 N 2.43 1.62 0.00 1.70 1.02 -1.26 -2.85 120.64 123.29 1d3a n GLU 276 Ca -0.02 -3.77 0.00 0.00 -0.02 0.00 0.00 57.16 53.35 1d3a n GLU 276 Cb 0.49 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1d3a n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d3a n GLY 277 N 0.10 3.27 2.06 0.62 0.00 0.10 -4.97 105.19 106.39 1d3a n GLY 277 Ca 0.26 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 1d3a n GLY 277 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1d3a n GLU 278 N 0.00 0.00 -0.86 1.61 4.71 -1.24 0.79 120.64 125.65 1d3a n GLU 278 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1d3a n GLU 278 Cb 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 1d3a n GLU 278 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1d3a n PHE 279 N 0.77 0.00 -0.56 -0.32 3.72 -1.26 -2.66 117.46 117.16 1d3a n PHE 279 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1d3a n PHE 279 Cb 0.06 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 1d3a n PHE 279 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1d3a n GLY 280 N -1.47 0.72 3.47 1.37 0.00 0.24 -5.07 105.19 104.44 1d3a n GLY 280 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1d3a n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d3a s HIS 282 N -2.00 2.30 0.23 1.61 3.76 -0.78 -4.97 115.29 115.44 1d3a s HIS 282 Ca 0.00 -0.33 -0.19 0.00 -0.15 0.00 0.00 55.06 54.39 1d3a s HIS 282 Cb 0.00 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.71 1d3a s HIS 282 CO 0.00 0.70 0.59 -1.83 -0.85 0.00 0.00 174.74 173.35 1d3a s GLU 283 N -3.44 1.54 -1.37 1.40 -1.05 -1.26 0.02 118.70 114.54 1d3a s GLU 283 Ca 0.29 -0.92 -0.02 0.00 -0.15 0.00 0.00 54.97 54.17 1d3a s GLU 283 Cb -0.05 0.55 -0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1d3a s GLU 283 CO 0.15 -0.67 0.50 -3.47 0.95 0.00 0.00 175.26 172.71 1d3a n ASP 284 N -0.39 -0.82 -3.30 0.83 2.03 -1.13 -4.95 116.55 108.82 1d3a n ASP 284 Ca -0.07 -0.97 -0.08 0.00 0.52 0.00 0.00 54.79 54.19 1d3a n ASP 284 Cb 0.61 -3.29 0.01 0.00 -0.72 0.00 0.00 41.12 37.73 1d3a n ASP 284 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1d3a s THR 285 N -3.87 0.00 -0.30 5.18 -1.32 -1.26 -4.63 115.64 109.45 1d3a s THR 285 Ca 0.03 -0.99 -0.05 0.00 -1.21 0.00 0.00 61.69 59.47 1d3a s THR 285 Cb -0.01 -2.53 0.19 0.00 -1.51 0.00 0.00 72.50 68.63 1d3a s THR 285 CO 0.87 0.00 0.79 0.00 -2.21 0.00 0.00 174.62 174.07 1d3a s ALA 286 N -2.94 -2.81 0.00 11.08 0.00 -1.26 -1.77 121.76 124.05 1d3a s ALA 286 Ca 0.14 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1d3a s ALA 286 Cb -0.05 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1d3a s ALA 286 CO 0.10 -1.48 0.00 1.97 0.00 0.00 0.00 175.76 176.34 1d3a n PHE 287 N 5.42 0.00 -2.78 0.00 -1.74 -1.22 -4.77 117.46 112.37 1d3a n PHE 287 Ca -0.02 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.45 1d3a n PHE 287 Cb 0.53 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.50 1d3a n PHE 287 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1d3a s GLY 288 N -0.38 1.97 0.21 4.97 0.00 0.23 -2.67 107.32 111.66 1d3a s GLY 288 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.88 1d3a s GLY 288 CO 0.00 1.89 -0.05 -1.34 0.00 0.00 0.00 173.10 173.60 1d3a s VAL 289 N 2.55 1.19 -0.23 1.40 -7.23 0.40 -1.24 120.40 117.25 1d3a s VAL 289 Ca 0.41 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 1d3a s VAL 289 Cb -0.16 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 1d3a s VAL 289 CO 0.11 -0.48 1.48 -2.84 -0.31 0.00 0.00 175.10 173.06 1d3a s PRO 290 N -3.80 3.91 0.13 4.82 0.02 -1.26 -1.48 135.00 137.35 1d3a s PRO 290 Ca 0.24 1.57 0.08 0.00 0.02 0.00 0.00 61.00 62.92 1d3a s PRO 290 Cb 0.04 -3.95 -0.04 0.00 0.02 0.00 0.00 34.50 30.57 1d3a s PRO 290 CO 0.06 -1.14 -0.14 0.08 -0.33 0.00 0.00 177.00 175.53 1d3a s VAL 291 N 4.66 3.07 -0.33 3.83 1.01 -0.42 -1.25 120.40 130.98 1d3a s VAL 291 Ca 0.65 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1d3a s VAL 291 Cb -0.23 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1d3a s VAL 291 CO 0.26 0.05 0.12 -0.60 0.00 0.00 0.00 175.10 174.93 1d3a s ARG 292 N -2.32 2.91 0.19 2.72 3.52 -0.23 -0.85 118.95 124.89 1d3a s ARG 292 Ca 0.21 -0.99 -0.26 0.00 -0.13 0.00 0.00 55.73 54.55 1d3a s ARG 292 Cb -0.10 -3.49 -0.08 0.00 -1.56 0.00 0.00 34.95 29.72 1d3a s ARG 292 CO 0.12 -0.56 0.82 -0.51 -0.81 0.00 0.00 175.30 174.36 1d3a s LEU 293 N 1.49 4.59 0.00 -0.88 1.43 0.33 0.05 118.68 125.70 1d3a s LEU 293 Ca 0.01 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1d3a s LEU 293 Cb -0.18 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1d3a s LEU 293 CO 0.04 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1d3a n GLY 294 N 1.51 3.11 0.24 -3.19 0.00 -0.63 -1.06 105.19 105.17 1d3a n GLY 294 Ca -0.04 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.13 1d3a n GLY 294 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1d3a h SER 295 N 0.00 0.09 -0.61 1.61 0.02 -1.85 -2.60 113.55 110.21 1d3a h SER 295 Ca 0.00 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 1d3a h SER 295 Cb 0.00 -0.02 -0.16 0.00 0.14 0.00 0.00 62.40 62.35 1d3a h SER 295 CO 0.00 0.23 0.35 0.59 -1.14 0.00 0.00 176.83 176.86 1d3a n ASN 296 N -4.34 3.66 0.00 3.07 3.02 -1.26 -4.97 115.26 114.43 1d3a n ASN 296 Ca -0.02 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1d3a n ASN 296 Cb 0.22 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1d3a n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d3a n GLY 297 N -0.39 1.22 3.61 7.41 0.00 -0.98 -4.60 105.19 111.46 1d3a n GLY 297 Ca 0.36 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1d3a n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d3a s VAL 298 N 0.00 3.43 -1.39 1.61 1.01 -0.98 -1.60 120.40 122.47 1d3a s VAL 298 Ca 0.00 0.45 0.26 0.00 0.00 0.00 0.00 61.98 62.70 1d3a s VAL 298 Cb 0.00 -3.52 0.20 0.00 0.00 0.00 0.00 36.38 33.06 1d3a s VAL 298 CO 0.00 -0.29 1.59 -0.62 0.00 0.00 0.00 175.10 175.78 1d3a n GLU 299 N 8.25 0.43 0.00 2.72 -0.58 0.11 -4.84 120.64 126.73 1d3a n GLU 299 Ca 0.23 -0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1d3a n GLU 299 Cb 0.46 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1d3a n GLU 299 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1d3a n GLU 301 N -1.09 0.00 -3.51 3.49 2.13 -1.23 -4.96 120.64 115.47 1d3a n GLU 301 Ca 0.10 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.50 1d3a n GLU 301 Cb 0.33 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.97 1d3a n GLU 301 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1d3a s ILE 302 N -1.95 4.48 -0.14 6.31 1.01 -1.26 -1.07 121.20 128.58 1d3a s ILE 302 Ca 0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 60.65 58.34 1d3a s ILE 302 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1d3a s ILE 302 CO 0.00 -0.84 1.42 -0.69 0.00 0.00 0.00 174.94 174.83 1d3a s VAL 303 N 1.02 4.00 -0.41 2.92 1.01 -0.38 -4.97 120.40 123.59 1d3a s VAL 303 Ca 0.09 1.20 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 1d3a s VAL 303 Cb -0.23 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1d3a s VAL 303 CO -0.02 -0.13 0.53 -1.61 0.00 0.00 0.00 175.10 173.87 1d3a s GLU 304 N 3.78 3.28 0.83 2.72 2.02 -1.26 -4.14 118.70 125.94 1d3a s GLU 304 Ca 0.62 -0.49 -0.09 0.00 0.02 0.00 0.00 54.97 55.03 1d3a s GLU 304 Cb -0.26 -3.93 0.15 0.00 0.10 0.00 0.00 34.13 30.20 1d3a s GLU 304 CO 0.21 -0.86 1.16 -1.58 0.02 0.00 0.00 175.26 174.20 1d3a s TRP 305 N 2.44 1.85 -0.42 1.61 0.51 -1.26 -5.03 118.94 118.65 1d3a s TRP 305 Ca 0.17 0.15 -0.06 0.00 -2.12 0.00 0.00 56.10 54.24 1d3a s TRP 305 Cb -0.16 -3.56 0.10 0.00 -0.81 0.00 0.00 33.47 29.04 1d3a s TRP 305 CO 0.16 -2.10 0.24 0.34 -0.51 0.00 0.00 176.95 175.07 1d3a s ASP 306 N -4.77 5.44 0.35 2.95 2.15 -1.26 -5.06 116.67 116.47 1d3a s ASP 306 Ca 0.69 -1.79 -0.08 0.00 0.43 0.00 0.00 52.55 51.80 1d3a s ASP 306 Cb -0.06 -1.91 -0.06 0.00 -0.30 0.00 0.00 42.92 40.60 1d3a s ASP 306 CO 0.49 -0.56 0.67 -0.76 -0.17 0.00 0.00 175.17 174.84 1d3a s LEU 307 N 1.28 3.93 0.00 -1.34 1.43 -1.26 -5.03 118.68 117.70 1d3a s LEU 307 Ca 0.05 0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 54.02 1d3a s LEU 307 Cb -0.23 -3.78 0.08 0.00 0.03 0.00 0.00 46.19 42.29 1d3a s LEU 307 CO -0.01 -0.31 0.41 -0.90 0.23 0.00 0.00 176.35 175.76 1d3a n ASP 308 N -1.17 -0.38 0.08 2.29 5.68 -1.26 -4.67 116.55 117.12 1d3a n ASP 308 Ca 0.00 -1.02 -0.03 0.00 -0.50 0.00 0.00 54.79 53.24 1d3a n ASP 308 Cb 0.54 -0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 40.18 1d3a n ASP 308 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1d3a h ASP 309 N -0.86 -0.18 -0.71 -1.12 3.45 -1.98 0.20 116.42 115.22 1d3a h ASP 309 Ca -0.14 0.01 0.20 0.00 0.43 0.00 0.00 57.03 57.53 1d3a h ASP 309 Cb 0.39 0.05 -0.13 0.00 -0.56 0.00 0.00 39.33 39.07 1d3a h ASP 309 CO 0.09 -0.13 0.03 0.00 -1.57 0.00 0.00 179.24 177.67 1d3a n TYR 310 N -2.57 0.46 0.01 4.55 9.36 -1.26 0.08 117.16 127.79 1d3a n TYR 310 Ca -0.03 0.85 -0.18 0.00 3.32 0.00 0.00 57.90 61.87 1d3a n TYR 310 Cb 0.08 -1.04 -0.11 0.00 -0.63 0.00 0.00 39.34 37.64 1d3a n TYR 310 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1d3a h GLU 311 N 0.00 0.41 -0.15 2.98 5.08 -1.91 -2.99 114.58 117.99 1d3a h GLU 311 Ca 0.44 -0.45 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1d3a h GLU 311 Cb 0.91 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1d3a h GLU 311 CO -0.66 1.12 0.22 1.96 -1.00 0.00 0.00 179.01 180.65 1d3a h GLN 312 N -0.11 0.00 0.22 2.33 4.20 0.18 -1.76 115.11 120.17 1d3a h GLN 312 Ca -0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1d3a h GLN 312 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1d3a h GLN 312 CO 0.12 0.00 -0.11 -0.44 -0.67 0.00 0.00 178.83 177.74 1d3a h ASP 313 N 0.00 -0.25 -1.23 1.46 5.19 -1.27 -2.95 116.42 117.38 1d3a h ASP 313 Ca 0.07 0.01 0.38 0.00 -0.62 0.00 0.00 57.03 56.87 1d3a h ASP 313 Cb 0.51 0.06 -0.11 0.00 0.18 0.00 0.00 39.33 39.97 1d3a h ASP 313 CO -0.00 0.17 0.79 -0.07 -3.12 0.00 0.00 179.24 177.01 1d3a h LEU 314 N -0.99 0.30 -0.75 1.55 3.38 -1.27 2.11 115.31 119.65 1d3a h LEU 314 Ca -0.03 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1d3a h LEU 314 Cb 0.23 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1d3a h LEU 314 CO 0.05 -0.09 -0.23 -0.03 0.09 0.00 0.00 178.44 178.23 1d3a h MET 315 N 0.18 0.00 -0.09 1.13 4.05 -1.40 -2.75 114.93 116.05 1d3a h MET 315 Ca 0.74 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 60.07 1d3a h MET 315 Cb 2.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.02 1d3a h MET 315 CO -0.37 0.23 -0.28 0.00 0.23 0.00 0.00 176.91 176.72 1d3a h ALA 316 N 1.77 0.16 0.23 0.39 0.00 0.36 -2.09 119.26 120.08 1d3a h ALA 316 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1d3a h ALA 316 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1d3a h ALA 316 CO 0.03 0.17 -0.35 -0.44 0.00 0.00 0.00 179.25 178.66 1d3a h ASP 317 N -0.11 -1.01 -1.07 0.00 5.19 -1.31 -1.09 116.42 117.02 1d3a h ASP 317 Ca -0.01 0.09 0.30 0.00 -0.62 0.00 0.00 57.03 56.79 1d3a h ASP 317 Cb 0.90 0.35 -0.06 0.00 0.18 0.00 0.00 39.33 40.70 1d3a h ASP 317 CO 0.06 -0.42 0.75 0.00 -3.12 0.00 0.00 179.24 176.50 1d3a h ALA 318 N -1.05 2.76 -0.26 3.45 0.00 -1.56 0.92 119.26 123.52 1d3a h ALA 318 Ca -0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1d3a h ALA 318 Cb 0.56 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1d3a h ALA 318 CO -0.11 -1.11 -0.42 0.00 0.00 0.00 0.00 179.25 177.62 1d3a h ALA 319 N 1.51 0.40 -1.07 0.00 0.00 -0.50 -3.09 119.26 116.51 1d3a h ALA 319 Ca 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1d3a h ALA 319 Cb 1.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1d3a h ALA 319 CO -0.10 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.05 1d3a n GLU 320 N -4.17 0.00 -0.15 0.00 1.02 0.21 -2.88 120.64 114.67 1d3a n GLU 320 Ca -0.05 0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.54 1d3a n GLU 320 Cb 0.55 -1.13 0.23 0.00 -0.02 0.00 0.00 31.44 31.07 1d3a n GLU 320 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1d3a n LYS 321 N -1.47 -0.03 0.12 3.49 4.81 -0.58 0.26 118.16 124.77 1d3a n LYS 321 Ca 0.00 0.65 0.12 0.00 -0.87 0.00 0.00 58.31 58.22 1d3a n LYS 321 Cb 0.00 -1.13 0.21 0.00 0.02 0.00 0.00 35.03 34.14 1d3a n LYS 321 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1d3a h LEU 322 N 0.00 0.00 0.00 3.14 5.85 -1.63 -2.25 115.31 120.42 1d3a h LEU 322 Ca 0.35 -0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.75 1d3a h LEU 322 Cb 0.88 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1d3a h LEU 322 CO -0.38 0.03 -1.69 -0.24 -0.34 0.00 0.00 178.44 175.82 1d3a n SER 323 N -2.50 0.78 0.21 1.25 2.88 0.74 -3.10 113.62 113.88 1d3a n SER 323 Ca 0.04 0.37 -0.09 0.00 -1.33 0.00 0.00 58.87 57.85 1d3a n SER 323 Cb 0.48 0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1d3a n SER 323 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1d3a h ASP 324 N 0.00 -0.49 -1.11 -3.46 3.45 -1.35 -3.01 116.42 110.44 1d3a h ASP 324 Ca -0.27 0.02 0.36 0.00 0.43 0.00 0.00 57.03 57.56 1d3a h ASP 324 Cb 1.91 0.13 -0.14 0.00 -0.56 0.00 0.00 39.33 40.67 1d3a h ASP 324 CO 0.06 -0.17 0.67 1.56 -1.57 0.00 0.00 179.24 179.80 1d3a h GLN 325 N -0.95 0.23 -0.11 3.56 4.20 -1.57 0.25 115.11 120.72 1d3a h GLN 325 Ca -0.06 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 1d3a h GLN 325 Cb 0.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1d3a h GLN 325 CO 0.10 0.15 -0.59 -0.92 -0.67 0.00 0.00 178.83 176.90 1d3a h TYR 326 N 0.23 0.45 -0.34 2.96 3.20 -1.55 -3.02 116.97 118.90 1d3a h TYR 326 Ca 0.75 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 62.42 1d3a h TYR 326 Cb 1.98 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.16 1d3a h TYR 326 CO -0.01 0.86 0.11 -0.44 -1.64 0.00 0.00 178.16 177.04 1d3a h ASP 327 N 0.27 0.50 -0.70 -2.11 3.45 -0.37 -2.77 116.42 114.69 1d3a h ASP 327 Ca -0.00 -0.20 0.15 0.00 0.43 0.00 0.00 57.03 57.41 1d3a h ASP 327 Cb 1.11 -0.13 -0.12 0.00 -0.56 0.00 0.00 39.33 39.62 1d3a h ASP 327 CO 0.10 0.57 -0.01 0.11 -1.57 0.00 0.00 179.24 178.44 1d3a h LYS 328 N 0.40 0.09 -1.10 3.56 1.57 -1.35 1.19 116.57 120.94 1d3a h LYS 328 Ca 0.11 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 1d3a h LYS 328 Cb 0.25 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.43 1d3a h LYS 328 CO -0.00 0.06 0.24 0.44 -0.57 0.00 0.00 179.45 179.62 1d3a n ILE 329 N -5.34 1.88 -0.91 1.86 -5.35 -1.06 -5.13 119.36 105.32 1d3a n ILE 329 Ca 0.12 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1d3a n ILE 329 Cb 0.42 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 1d3a n ILE 329 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55