#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 0.99 -0.02 -0.78 2.20 -1.26 -1.29 119.74 119.59 1d3a s LYS 23 Ca 0.00 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.81 1d3a s LYS 23 Cb 0.00 -1.03 -0.00 0.00 -1.51 0.00 0.00 37.83 35.29 1d3a s LYS 23 CO 0.00 0.25 -0.10 0.08 -0.36 0.00 0.00 175.35 175.22 1d3a s VAL 24 N -0.91 0.82 -0.04 4.02 1.01 0.09 -1.11 120.40 124.28 1d3a s VAL 24 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1d3a s VAL 24 Cb -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1d3a s VAL 24 CO 0.02 0.25 -0.24 -0.44 0.00 0.00 0.00 175.10 174.69 1d3a s SER 25 N 0.01 2.84 -0.26 3.32 0.01 -0.82 -0.70 113.70 118.09 1d3a s SER 25 Ca -0.00 -0.46 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 1d3a s SER 25 Cb -0.07 -0.58 0.04 0.00 0.21 0.00 0.00 66.02 65.62 1d3a s SER 25 CO 0.00 0.25 -0.07 -0.69 0.41 0.00 0.00 173.24 173.15 1d3a s VAL 26 N -0.31 2.65 -0.40 3.43 1.01 0.20 -0.50 120.40 126.49 1d3a s VAL 26 Ca 0.02 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 60.54 1d3a s VAL 26 Cb -0.12 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1d3a s VAL 26 CO 0.02 0.09 0.57 -0.69 0.00 0.00 0.00 175.10 175.08 1d3a s VAL 27 N 1.25 4.94 0.00 2.92 1.01 0.33 -0.49 120.40 130.35 1d3a s VAL 27 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1d3a s VAL 27 Cb -0.18 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1d3a s VAL 27 CO -0.04 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1d3a n GLY 28 N 4.93 1.54 1.76 4.51 0.00 0.35 -1.20 105.19 117.08 1d3a n GLY 28 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.70 0.00 -1.90 4.61 0.00 -1.26 -4.05 120.51 118.61 1d3a n ALA 29 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1d3a n ALA 29 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 1.64 0.07 0.00 0.00 -1.26 -4.83 107.32 102.93 1d3a s GLY 30 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 1d3a s GLY 30 CO 0.00 0.07 1.35 -0.84 0.00 0.00 0.00 173.10 173.68 1d3a h THR 31 N -0.45 0.00 -0.45 0.90 2.02 -1.96 0.52 112.91 113.49 1d3a h THR 31 Ca -0.45 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 1d3a h THR 31 Cb 1.22 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1d3a h THR 31 CO 0.63 0.00 0.12 0.58 0.37 0.00 0.00 175.52 177.22 1d3a h VAL 32 N -0.45 1.20 -0.58 3.16 2.07 -1.90 -2.09 116.25 117.66 1d3a h VAL 32 Ca 0.00 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1d3a h VAL 32 Cb 0.47 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1d3a h VAL 32 CO -0.21 0.26 0.20 1.23 0.02 0.00 0.00 177.57 179.07 1d3a h GLY 33 N 0.87 0.96 0.60 2.17 0.00 -1.64 -1.75 103.07 104.27 1d3a h GLY 33 Ca 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1d3a h GLY 33 CO -0.00 0.52 -0.11 0.00 0.00 0.00 0.00 176.54 176.94 1d3a h ALA 34 N 1.06 -0.32 -0.74 3.60 0.00 -0.67 -2.22 119.26 119.97 1d3a h ALA 34 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1d3a h ALA 34 Cb 0.26 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1d3a h ALA 34 CO -0.01 -0.48 0.39 0.00 0.00 0.00 0.00 179.25 179.15 1d3a h ALA 35 N -0.13 1.30 -0.48 0.00 0.00 -1.42 -0.80 119.26 117.73 1d3a h ALA 35 Ca -0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1d3a h ALA 35 Cb 0.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1d3a h ALA 35 CO 0.05 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 1d3a h ALA 36 N 1.40 0.90 0.24 0.00 0.00 -1.38 -0.22 119.26 120.21 1d3a h ALA 36 Ca 0.26 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1d3a h ALA 36 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1d3a h ALA 36 CO -0.04 0.63 -0.35 0.78 0.00 0.00 0.00 179.25 180.27 1d3a h GLY 37 N 0.97 -0.75 1.00 0.00 0.00 -0.63 -0.10 103.07 103.55 1d3a h GLY 37 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1d3a h GLY 37 CO 0.04 -0.28 0.35 -1.82 0.00 0.00 0.00 176.54 174.84 1d3a h TYR 38 N -0.66 0.72 0.00 5.60 3.20 -1.06 -1.63 116.97 123.15 1d3a h TYR 38 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1d3a h TYR 38 Cb 0.63 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1d3a h TYR 38 CO -0.25 0.48 -0.06 -0.91 -1.64 0.00 0.00 178.16 175.77 1d3a h ASN 39 N 0.75 0.00 0.11 -2.11 4.21 -0.67 -1.42 115.58 116.45 1d3a h ASN 39 Ca 0.20 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.54 1d3a h ASN 39 Cb -0.05 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.17 1d3a h ASN 39 CO -0.04 0.06 -0.81 0.40 -1.29 0.00 0.00 177.43 175.75 1d3a h ILE 40 N 0.00 1.45 -0.98 2.81 2.04 -0.58 -3.32 117.51 118.93 1d3a h ILE 40 Ca -0.00 -2.48 0.05 0.00 1.00 0.00 0.00 64.86 63.43 1d3a h ILE 40 Cb 0.15 3.12 -0.06 0.00 -0.74 0.00 0.00 36.82 39.28 1d3a h ILE 40 CO 0.01 0.69 0.64 0.00 0.00 0.00 0.00 178.15 179.48 1d3a h ALA 41 N 0.03 1.33 -0.19 1.87 0.00 -0.95 -2.95 119.26 118.40 1d3a h ALA 41 Ca -0.16 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1d3a h ALA 41 Cb 1.56 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1d3a h ALA 41 CO 0.10 0.47 0.03 1.25 0.00 0.00 0.00 179.25 181.10 1d3a h LEU 42 N 1.19 -0.01 0.00 0.00 5.85 -1.41 -2.80 115.31 118.14 1d3a h LEU 42 Ca 0.41 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1d3a h LEU 42 Cb 0.09 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1d3a h LEU 42 CO -0.15 0.02 0.03 0.54 -0.34 0.00 0.00 178.44 178.54 1d3a n ARG 43 N -5.10 0.00 -3.90 1.25 5.12 -1.11 -4.51 116.66 108.41 1d3a n ARG 43 Ca -0.03 0.35 -0.28 0.00 -1.93 0.00 0.00 57.85 55.96 1d3a n ARG 43 Cb 0.09 -1.53 0.02 0.00 -1.16 0.00 0.00 32.46 29.88 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 -1.34 -3.18 -0.73 0.55 2.03 -1.06 -4.89 116.55 107.94 1d3a n ASP 44 Ca 0.00 -0.84 0.08 0.00 0.52 0.00 0.00 54.79 54.55 1d3a n ASP 44 Cb 0.03 -3.70 0.11 0.00 -0.72 0.00 0.00 41.12 36.84 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 -4.52 0.30 -3.82 5.18 -5.35 -1.26 -4.92 119.36 104.98 1d3a n ILE 45 Ca -0.08 -0.65 -0.12 0.00 -0.27 0.00 0.00 62.75 61.62 1d3a n ILE 45 Cb 0.58 1.08 -0.11 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.24 -0.47 0.13 -1.28 0.00 -1.26 -4.96 121.76 112.68 1d3a s ALA 46 Ca 0.23 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1d3a s ALA 46 Cb 0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 1d3a s ALA 46 CO 0.21 -0.13 1.43 -0.44 0.00 0.00 0.00 175.76 176.83 1d3a h ASP 47 N 5.39 0.99 -4.27 0.00 5.19 -1.56 -3.38 116.42 118.79 1d3a h ASP 47 Ca -0.27 -0.51 -0.46 0.00 -0.62 0.00 0.00 57.03 55.18 1d3a h ASP 47 Cb 1.19 -0.28 -0.26 0.00 0.18 0.00 0.00 39.33 40.16 1d3a h ASP 47 CO 0.39 1.31 -0.80 -1.61 -3.12 0.00 0.00 179.24 175.41 1d3a s GLU 48 N -4.22 1.00 -0.06 3.56 2.02 -0.86 -1.59 118.70 118.53 1d3a s GLU 48 Ca -0.11 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.22 1d3a s GLU 48 Cb 0.10 -0.99 0.03 0.00 0.10 0.00 0.00 34.13 33.37 1d3a s GLU 48 CO 0.89 0.26 0.03 0.08 0.02 0.00 0.00 175.26 176.53 1d3a s VAL 49 N -0.64 0.16 -0.20 2.63 1.01 -0.40 -0.73 120.40 122.24 1d3a s VAL 49 Ca 0.03 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 1d3a s VAL 49 Cb -0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1d3a s VAL 49 CO 0.01 0.20 0.03 -0.69 0.00 0.00 0.00 175.10 174.65 1d3a s VAL 50 N 2.06 4.29 -0.29 2.92 1.01 0.12 -2.01 120.40 128.49 1d3a s VAL 50 Ca 0.05 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 1d3a s VAL 50 Cb -0.12 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1d3a s VAL 50 CO -0.04 0.43 0.53 -0.36 0.00 0.00 0.00 175.10 175.66 1d3a s PHE 51 N 0.82 3.23 -0.10 5.22 0.40 -0.35 -0.63 117.98 126.57 1d3a s PHE 51 Ca 0.02 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 1d3a s PHE 51 Cb -0.14 -2.82 0.01 0.00 0.51 0.00 0.00 43.02 40.58 1d3a s PHE 51 CO 0.02 -0.38 -0.17 0.08 0.70 0.00 0.00 175.22 175.47 1d3a s VAL 52 N 2.39 1.59 0.36 -0.44 1.01 0.35 -1.20 120.40 124.47 1d3a s VAL 52 Ca 0.21 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1d3a s VAL 52 Cb -0.15 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1d3a s VAL 52 CO 0.11 0.46 0.52 -0.62 0.00 0.00 0.00 175.10 175.57 1d3a s ASP 53 N 0.80 0.95 0.30 3.32 -1.08 -1.26 0.13 116.67 119.82 1d3a s ASP 53 Ca -0.10 -1.51 -0.30 0.00 -0.52 0.00 0.00 52.55 50.12 1d3a s ASP 53 Cb -0.16 0.70 -0.12 0.00 -1.46 0.00 0.00 42.92 41.88 1d3a s ASP 53 CO 0.01 -1.37 1.48 0.00 0.52 0.00 0.00 175.17 175.81 1d3a n ILE 54 N -0.59 1.27 -0.16 4.11 3.06 -1.26 -4.86 119.36 120.93 1d3a n ILE 54 Ca 0.00 -0.32 0.28 0.00 -2.50 0.00 0.00 62.75 60.21 1d3a n ILE 54 Cb 0.61 -1.76 0.58 0.00 0.54 0.00 0.00 39.64 39.61 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 4.06 0.00 0.00 9.51 0.11 -2.00 0.10 132.00 143.78 1d3a h PRO 54 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1d3a h PRO 54 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1d3a h PRO 54 CO 0.74 0.00 -0.62 -0.44 -0.21 0.00 0.00 178.00 177.47 1d3a h ASP 54 N 0.00 0.00 -0.49 -2.05 5.19 -2.07 -3.24 116.42 113.77 1d3a h ASP 54 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1d3a h ASP 54 Cb 2.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.89 1d3a h ASP 54 CO -0.00 0.56 0.00 0.29 -3.12 0.00 0.00 179.24 176.96 1d3a n LYS 55 N -3.21 4.26 0.11 3.56 5.02 0.34 -4.53 118.16 123.70 1d3a n LYS 55 Ca 0.01 -3.05 0.16 0.00 -2.02 0.00 0.00 58.31 53.40 1d3a n LYS 55 Cb 0.76 -2.12 0.69 0.00 -0.02 0.00 0.00 35.03 34.34 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 3.36 0.00 -0.34 1.97 4.81 -1.56 0.32 114.58 123.14 1d3a h GLU 56 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1d3a h GLU 56 Cb 1.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 1d3a h GLU 56 CO 0.40 0.00 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.84 1d3a h ASP 57 N 0.00 0.90 -0.30 1.04 3.32 -1.87 -2.01 116.42 117.49 1d3a h ASP 57 Ca 0.15 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1d3a h ASP 57 Cb 0.63 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1d3a h ASP 57 CO -0.00 1.18 0.05 0.44 -1.72 0.00 0.00 179.24 179.19 1d3a h ASP 58 N 0.68 0.48 -0.34 6.45 3.32 -1.33 -1.41 116.42 124.28 1d3a h ASP 58 Ca 0.05 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1d3a h ASP 58 Cb 0.97 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1d3a h ASP 58 CO 0.09 0.62 0.19 0.74 -1.72 0.00 0.00 179.24 179.16 1d3a h THR 59 N 0.32 1.03 -0.79 0.35 2.02 -1.17 0.22 112.91 114.89 1d3a h THR 59 Ca 0.09 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1d3a h THR 59 Cb 0.34 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1d3a h THR 59 CO 0.01 0.07 0.51 0.58 0.37 0.00 0.00 175.52 177.06 1d3a h VAL 60 N 0.40 1.21 -0.62 3.16 2.07 -1.25 -1.21 116.25 120.01 1d3a h VAL 60 Ca 0.13 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1d3a h VAL 60 Cb 0.01 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 1d3a h VAL 60 CO -0.07 0.20 0.23 1.23 0.02 0.00 0.00 177.57 179.19 1d3a h GLY 61 N 1.07 1.00 0.98 2.17 0.00 -0.40 -1.36 103.07 106.53 1d3a h GLY 61 Ca 0.29 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1d3a h GLY 61 CO -0.06 0.53 -0.15 1.46 0.00 0.00 0.00 176.54 178.32 1d3a h GLN 62 N 0.87 -0.41 -0.49 4.80 1.08 -0.12 -1.15 115.11 119.68 1d3a h GLN 62 Ca 0.20 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.52 1d3a h GLN 62 Cb 0.23 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 1d3a h GLN 62 CO -0.01 -0.26 0.09 0.00 -0.95 0.00 0.00 178.83 177.70 1d3a h ALA 63 N 0.23 0.54 -0.84 3.87 0.00 -1.10 0.11 119.26 122.06 1d3a h ALA 63 Ca -0.04 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1d3a h ALA 63 Cb 0.34 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1d3a h ALA 63 CO 0.07 -0.32 0.54 0.00 0.00 0.00 0.00 179.25 179.54 1d3a h ALA 64 N 1.39 1.12 -0.32 0.00 0.00 -1.08 -1.41 119.26 118.96 1d3a h ALA 64 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1d3a h ALA 64 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1d3a h ALA 64 CO -0.33 0.37 0.03 0.22 0.00 0.00 0.00 179.25 179.54 1d3a h ASP 65 N 1.05 0.52 -0.88 0.00 3.58 0.08 -2.58 116.42 118.18 1d3a h ASP 65 Ca 0.34 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.53 1d3a h ASP 65 Cb 0.02 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 1d3a h ASP 65 CO -0.12 0.67 0.59 0.74 -2.88 0.00 0.00 179.24 178.23 1d3a h THR 66 N 0.36 1.22 -0.77 2.25 2.02 -0.42 0.00 112.91 117.56 1d3a h THR 66 Ca 0.09 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1d3a h THR 66 Cb 0.38 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1d3a h THR 66 CO 0.01 0.22 0.43 0.78 0.37 0.00 0.00 175.52 177.32 1d3a h ASN 67 N 1.19 0.95 -0.41 4.18 2.35 -1.15 -1.30 115.58 121.40 1d3a h ASN 67 Ca 0.33 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.86 1d3a h ASN 67 Cb -0.12 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 37.99 1d3a h ASN 67 CO -0.08 0.76 -0.28 0.45 -1.65 0.00 0.00 177.43 176.64 1d3a h HIS 68 N 1.08 1.08 0.00 1.19 3.86 -0.97 -2.82 115.15 118.57 1d3a h HIS 68 Ca 0.27 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1d3a h HIS 68 Cb 0.02 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 1d3a h HIS 68 CO 0.01 1.09 -0.04 0.78 0.86 0.00 0.00 177.93 180.63 1d3a h GLY 69 N 0.87 0.00 -0.82 2.45 0.00 0.03 -3.23 103.07 102.37 1d3a h GLY 69 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1d3a h GLY 69 CO 0.08 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.91 1d3a n ILE 70 N -3.19 0.48 0.28 2.60 -5.35 -0.59 -4.75 119.36 108.83 1d3a n ILE 70 Ca -0.01 -0.74 0.16 0.00 -0.27 0.00 0.00 62.75 61.89 1d3a n ILE 70 Cb 0.25 0.85 0.77 0.00 -1.74 0.00 0.00 39.64 39.77 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 1.60 1.53 0.00 -1.28 0.00 -1.52 0.12 119.26 119.72 1d3a h ALA 71 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d3a h ALA 71 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1d3a h ALA 71 CO 0.00 -0.44 -1.28 0.66 0.00 0.00 0.00 179.25 178.19 1d3a n TYR 72 N -3.04 0.00 0.11 0.00 4.02 -1.26 -4.70 117.16 112.28 1d3a n TYR 72 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1d3a n TYR 72 Cb 0.46 -0.20 -0.01 0.00 -0.02 0.00 0.00 39.34 39.57 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 -1.74 0.52 -3.74 7.72 9.92 -0.50 -5.07 116.55 123.66 1d3a n ASP 73 Ca -0.01 -0.51 -0.13 0.00 -0.53 0.00 0.00 54.79 53.61 1d3a n ASP 73 Cb 0.30 1.01 -0.10 0.00 -0.64 0.00 0.00 41.12 41.69 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 -1.33 -0.34 0.02 -2.24 0.15 0.31 -4.75 113.70 105.52 1d3a s SER 74 Ca 0.01 0.53 0.26 0.00 0.70 0.00 0.00 55.95 57.45 1d3a s SER 74 Cb 0.02 0.61 0.71 0.00 -1.71 0.00 0.00 66.02 65.65 1d3a s SER 74 CO 0.10 -0.26 1.57 0.59 1.20 0.00 0.00 173.24 176.44 1d3a n ASN 75 N 2.26 0.39 -4.60 5.45 3.02 -1.26 -4.59 115.26 115.94 1d3a n ASN 75 Ca -0.16 0.04 -0.44 0.00 -0.03 0.00 0.00 54.58 54.00 1d3a n ASN 75 Cb 0.57 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.71 1d3a n ASN 75 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1d3a n THR 76 N -1.60 2.07 -3.99 3.41 -1.04 -1.26 -4.97 114.28 106.90 1d3a n THR 76 Ca 0.06 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.22 1d3a n THR 76 Cb 0.35 -1.05 -0.14 0.00 -1.82 0.00 0.00 70.33 67.67 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 -1.67 3.32 -0.09 -2.82 0.52 -0.62 -5.02 118.95 112.57 1d3a s ARG 77 Ca 0.59 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 55.18 1d3a s ARG 77 Cb -0.66 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 1d3a s ARG 77 CO 0.60 -0.18 -0.20 0.54 0.02 0.00 0.00 175.30 176.08 1d3a s VAL 78 N 1.38 2.46 0.01 3.52 0.11 -1.26 -1.28 120.40 125.35 1d3a s VAL 78 Ca 0.05 -0.90 -0.09 0.00 -2.93 0.00 0.00 61.98 58.11 1d3a s VAL 78 Cb -0.14 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 1d3a s VAL 78 CO -0.04 0.56 0.17 0.00 -3.33 0.00 0.00 175.10 172.46 1d3a s ARG 79 N 0.01 0.55 0.18 1.54 1.70 -0.85 -4.81 118.95 117.27 1d3a s ARG 79 Ca -0.07 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.47 1d3a s ARG 79 Cb -0.15 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 34.39 1d3a s ARG 79 CO 0.05 -0.14 0.98 -1.14 -1.08 0.00 0.00 175.30 173.97 1d3a s GLN 80 N -1.61 4.75 0.39 3.89 -0.44 -1.26 -1.21 119.66 124.17 1d3a s GLN 80 Ca -0.13 1.52 -0.15 0.00 -2.50 0.00 0.00 55.36 54.10 1d3a s GLN 80 Cb -0.06 -3.32 0.05 0.00 -1.64 0.00 0.00 33.01 28.05 1d3a s GLN 80 CO 0.01 0.32 0.78 0.20 0.50 0.00 0.00 175.29 177.10 1d3a s GLY 81 N -0.53 0.45 0.46 2.59 0.00 -0.34 -4.87 107.32 105.08 1d3a s GLY 81 Ca 0.45 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 44.43 1d3a s GLY 81 CO 0.32 -0.36 0.48 -0.32 0.00 0.00 0.00 173.10 173.22 1d3a s GLY 84 N -3.09 2.08 0.63 0.20 0.00 -1.26 -4.34 107.32 101.54 1d3a s GLY 84 Ca 0.16 -1.79 0.25 0.00 0.00 0.00 0.00 44.72 43.34 1d3a s GLY 84 CO 0.12 -1.69 1.68 -0.97 0.00 0.00 0.00 173.10 172.24 1d3a h TYR 85 N 0.80 0.00 -0.49 1.90 -1.99 -1.96 0.13 116.97 115.35 1d3a h TYR 85 Ca -0.39 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.22 1d3a h TYR 85 Cb 1.28 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.99 1d3a h TYR 85 CO 0.55 0.00 -0.16 0.93 -0.00 0.00 0.00 178.16 179.48 1d3a h GLU 86 N 0.00 0.95 0.00 4.88 3.07 -1.94 -2.76 114.58 118.78 1d3a h GLU 86 Ca 0.15 -0.37 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1d3a h GLU 86 Cb 1.38 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1d3a h GLU 86 CO -0.00 1.03 0.00 -0.44 -1.40 0.00 0.00 179.01 178.20 1d3a h ASP 87 N 0.84 0.00 -0.11 1.42 5.19 -1.11 -2.68 116.42 119.97 1d3a h ASP 87 Ca 0.12 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 1d3a h ASP 87 Cb 0.71 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 1d3a h ASP 87 CO 0.05 0.00 0.06 0.35 -3.12 0.00 0.00 179.24 176.58 1d3a n THR 88 N -2.39 1.03 -2.63 0.35 -2.24 -1.04 -4.87 114.28 102.48 1d3a n THR 88 Ca 0.01 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 1d3a n THR 88 Cb 0.21 -0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.62 3.36 -0.43 6.98 0.00 -1.01 -3.40 121.76 126.64 1d3a s ALA 89 Ca 0.07 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1d3a s ALA 89 Cb 0.06 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1d3a s ALA 89 CO 0.02 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1d3a n GLY 90 N 1.42 0.57 3.74 0.00 0.00 -1.25 -4.96 105.19 104.72 1d3a n GLY 90 Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1d3a n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d3a s SER 91 N -2.28 6.46 0.06 1.61 0.01 -1.22 -4.59 113.70 113.75 1d3a s SER 91 Ca 0.00 2.83 -0.03 0.00 1.31 0.00 0.00 55.95 60.06 1d3a s SER 91 Cb 0.00 -2.62 -0.28 0.00 0.21 0.00 0.00 66.02 63.33 1d3a s SER 91 CO 0.00 -0.86 1.08 0.44 0.41 0.00 0.00 173.24 174.30 1d3a h ASP 92 N 5.43 0.40 -3.66 2.44 3.32 -1.44 -3.43 116.42 119.48 1d3a h ASP 92 Ca -0.46 -0.45 -0.25 0.00 0.02 0.00 0.00 57.03 55.89 1d3a h ASP 92 Cb 1.21 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 1d3a h ASP 92 CO 0.83 1.36 -0.72 -0.69 -1.72 0.00 0.00 179.24 178.30 1d3a s VAL 93 N -2.65 -0.02 -0.11 -1.35 1.01 -1.23 -2.31 120.40 113.74 1d3a s VAL 93 Ca -0.05 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1d3a s VAL 93 Cb 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 36.38 36.42 1d3a s VAL 93 CO 0.87 0.03 -0.17 -0.69 0.00 0.00 0.00 175.10 175.14 1d3a s VAL 94 N 0.36 1.64 -0.21 2.92 1.01 0.94 -1.95 120.40 125.12 1d3a s VAL 94 Ca -0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1d3a s VAL 94 Cb -0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1d3a s VAL 94 CO -0.01 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 174.98 1d3a s VAL 95 N 0.89 5.18 -0.20 2.92 1.01 0.34 -0.60 120.40 129.93 1d3a s VAL 95 Ca -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1d3a s VAL 95 Cb -0.15 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1d3a s VAL 95 CO -0.01 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.76 1d3a s ILE 96 N 0.56 2.63 0.00 2.22 1.01 0.08 -0.51 121.20 127.19 1d3a s ILE 96 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1d3a s ILE 96 Cb -0.12 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1d3a s ILE 96 CO 0.00 0.45 0.64 0.35 0.00 0.00 0.00 174.94 176.39 1d3a n THR 97 N 4.69 0.39 -2.53 2.92 -2.24 -0.34 -1.01 114.28 116.15 1d3a n THR 97 Ca -0.19 -0.59 -0.35 0.00 -2.27 0.00 0.00 64.05 60.64 1d3a n THR 97 Cb 0.50 0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.39 2.97 0.00 6.98 0.00 -1.09 -4.66 121.76 125.58 1d3a s ALA 98 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1d3a s ALA 98 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1d3a s ALA 98 CO 0.00 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1d3a n GLY 99 N 0.06 0.00 3.61 0.00 0.00 -1.26 -4.68 105.19 102.92 1d3a n GLY 99 Ca 0.07 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 4.98 0.48 -0.61 1.01 -1.26 -5.08 121.20 118.71 1d3a s ILE 100 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 1d3a s ILE 100 Cb 0.00 -3.30 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 1d3a s ILE 100 CO 0.00 0.38 1.19 -2.16 0.00 0.00 0.00 174.94 174.34 1d3a s PRO 101 N 0.97 3.64 0.17 2.79 0.04 -1.26 -4.95 135.00 136.41 1d3a s PRO 101 Ca 0.06 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 1d3a s PRO 101 Cb -0.14 -2.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 1d3a s PRO 101 CO 0.03 -0.66 1.55 0.50 0.04 0.00 0.00 177.00 178.47 1d3a s ARG 102 N -2.77 4.22 0.44 4.56 3.52 -1.26 -5.01 118.95 122.65 1d3a s ARG 102 Ca 0.65 2.35 -0.12 0.00 -0.13 0.00 0.00 55.73 58.48 1d3a s ARG 102 Cb -0.30 -3.15 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 1d3a s ARG 102 CO 0.36 -0.59 0.84 -0.65 -0.81 0.00 0.00 175.30 174.45 1d3a s GLN 103 N 0.97 3.83 0.31 5.12 -1.52 -1.26 -5.00 119.66 122.12 1d3a s GLN 103 Ca 0.69 0.63 -0.29 0.00 -1.95 0.00 0.00 55.36 54.43 1d3a s GLN 103 Cb -0.44 -2.31 -0.11 0.00 -0.22 0.00 0.00 33.01 29.94 1d3a s GLN 103 CO 0.33 -0.11 1.50 -2.14 -0.25 0.00 0.00 175.29 174.62 1d3a s PRO 105 N -3.91 4.17 -0.10 2.91 0.02 -1.26 -1.78 135.00 135.05 1d3a s PRO 105 Ca 0.54 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1d3a s PRO 105 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1d3a s PRO 105 CO 0.31 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 1d3a n GLY 106 N 1.55 0.46 3.72 0.52 0.00 -1.26 -5.03 105.19 105.16 1d3a n GLY 106 Ca 0.05 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.78 3.64 0.10 1.61 0.74 -0.73 -5.07 119.66 118.16 1d3a s GLN 107 Ca 0.00 -0.28 -0.28 0.00 0.05 0.00 0.00 55.36 54.84 1d3a s GLN 107 Cb 0.00 -3.14 -0.06 0.00 1.10 0.00 0.00 33.01 30.91 1d3a s GLN 107 CO 0.00 0.51 0.89 0.95 -0.55 0.00 0.00 175.29 177.09 1d3a s THR 108 N -0.29 4.54 0.23 -0.34 -4.23 -1.26 -4.90 115.64 109.39 1d3a s THR 108 Ca 0.09 1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 62.38 1d3a s THR 108 Cb -0.12 -4.25 0.30 0.00 1.34 0.00 0.00 72.50 69.77 1d3a s THR 108 CO 0.01 0.36 1.46 0.54 -0.54 0.00 0.00 174.62 176.45 1d3a n ARG 109 N 2.64 -0.17 0.28 3.99 5.12 -1.26 0.16 116.66 127.42 1d3a n ARG 109 Ca 0.00 1.45 0.16 0.00 -1.93 0.00 0.00 57.85 57.52 1d3a n ARG 109 Cb 0.49 -2.15 0.83 0.00 -1.16 0.00 0.00 32.46 30.47 1d3a n ARG 109 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1d3a h ILE 110 N 0.00 0.37 0.10 0.55 2.04 -1.99 -0.92 117.51 117.66 1d3a h ILE 110 Ca 0.37 -0.38 -0.27 0.00 1.00 0.00 0.00 64.86 65.57 1d3a h ILE 110 Cb 0.60 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1d3a h ILE 110 CO -0.94 0.07 -1.30 -0.78 0.00 0.00 0.00 178.15 175.19 1d3a h ASP 111 N 0.00 0.33 -0.67 1.72 3.58 0.11 -2.45 116.42 119.05 1d3a h ASP 111 Ca -0.00 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.04 1d3a h ASP 111 Cb 0.27 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1d3a h ASP 111 CO 0.01 1.31 0.35 0.25 -2.88 0.00 0.00 179.24 178.28 1d3a h LEU 112 N 0.06 0.85 0.33 2.28 5.85 0.25 -1.22 115.31 123.70 1d3a h LEU 112 Ca -0.15 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1d3a h LEU 112 Cb 1.95 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1d3a h LEU 112 CO 0.18 0.71 -0.16 0.00 -0.34 0.00 0.00 178.44 178.83 1d3a h ALA 113 N 1.17 -0.44 -0.54 1.25 0.00 -1.21 -2.51 119.26 116.97 1d3a h ALA 113 Ca 0.23 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1d3a h ALA 113 Cb 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1d3a h ALA 113 CO -0.03 -0.73 -0.09 0.78 0.00 0.00 0.00 179.25 179.18 1d3a h GLY 114 N -0.49 0.45 0.32 0.00 0.00 -1.09 0.54 103.07 102.80 1d3a h GLY 114 Ca -0.05 0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.52 1d3a h GLY 114 CO 0.07 -0.19 0.11 -0.55 0.00 0.00 0.00 176.54 175.98 1d3a h ASP 115 N 0.03 0.01 1.44 0.19 3.32 -0.96 -2.89 116.42 117.56 1d3a h ASP 115 Ca 0.27 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 1d3a h ASP 115 Cb 0.41 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1d3a h ASP 115 CO -0.52 0.03 -0.48 0.78 -1.72 0.00 0.00 179.24 177.33 1d3a h ASN 116 N 0.25 0.00 -0.90 6.45 2.35 -0.87 -3.37 115.58 119.48 1d3a h ASN 116 Ca 0.27 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 56.26 1d3a h ASN 116 Cb 0.37 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.58 1d3a h ASN 116 CO -0.34 0.48 0.18 0.00 -1.65 0.00 0.00 177.43 176.09 1d3a h ALA 117 N 1.52 1.25 -0.36 -0.83 0.00 -0.70 0.15 119.26 120.28 1d3a h ALA 117 Ca -0.00 0.26 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1d3a h ALA 117 Cb 1.33 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1d3a h ALA 117 CO 0.06 -0.52 -0.35 -1.00 0.00 0.00 0.00 179.25 177.44 1d3a h PRO 118 N 0.14 0.84 -0.35 0.00 0.13 -1.74 -2.96 132.00 128.05 1d3a h PRO 118 Ca 0.57 -0.42 0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1d3a h PRO 118 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1d3a h PRO 118 CO -0.73 1.05 0.18 0.82 -0.23 0.00 0.00 178.00 179.09 1d3a h ILE 119 N 0.69 0.99 -0.69 -3.56 2.04 -0.99 0.33 117.51 116.32 1d3a h ILE 119 Ca 0.07 -0.13 0.13 0.00 1.00 0.00 0.00 64.86 65.93 1d3a h ILE 119 Cb 0.91 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1d3a h ILE 119 CO 0.08 0.07 0.46 0.24 0.00 0.00 0.00 178.15 179.00 1d3a h MET 120 N 0.36 0.42 -0.18 2.37 2.86 -1.17 -0.41 114.93 119.18 1d3a h MET 120 Ca 0.15 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.55 1d3a h MET 120 Cb 0.05 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.63 1d3a h MET 120 CO -0.10 0.28 -0.73 0.93 1.06 0.00 0.00 176.91 178.35 1d3a h GLU 121 N 0.43 0.79 -0.62 1.72 5.08 -0.94 -2.47 114.58 118.57 1d3a h GLU 121 Ca 0.33 -0.61 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1d3a h GLU 121 Cb 0.70 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1d3a h GLU 121 CO -0.10 1.23 0.12 0.22 -1.00 0.00 0.00 179.01 179.47 1d3a h ASP 122 N 0.56 0.97 -0.31 1.42 -0.00 0.48 -0.99 116.42 118.56 1d3a h ASP 122 Ca -0.04 -0.25 -0.07 0.00 -0.00 0.00 0.00 57.03 56.67 1d3a h ASP 122 Cb 1.35 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 40.41 1d3a h ASP 122 CO 0.15 0.98 -0.07 0.40 -0.00 0.00 0.00 179.24 180.69 1d3a h ILE 123 N 0.93 1.28 0.00 2.25 2.04 -1.16 -1.32 117.51 121.53 1d3a h ILE 123 Ca 0.19 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1d3a h ILE 123 Cb 0.41 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1d3a h ILE 123 CO 0.01 0.36 -0.18 -0.61 0.00 0.00 0.00 178.15 177.73 1d3a h GLN 124 N 0.36 0.00 0.52 2.37 4.15 -1.38 -2.09 115.11 119.04 1d3a h GLN 124 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1d3a h GLN 124 Cb 0.56 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.26 1d3a h GLN 124 CO 0.03 0.18 -0.25 1.03 -1.93 0.00 0.00 178.83 177.89 1d3a h SER 125 N 0.00 -0.59 -0.85 -0.69 0.87 -0.66 0.49 113.55 112.12 1d3a h SER 125 Ca -0.00 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.77 1d3a h SER 125 Cb 0.36 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1d3a h SER 125 CO 0.02 -0.31 0.57 0.28 -0.53 0.00 0.00 176.83 176.86 1d3a h SER 126 N -0.92 0.34 -0.08 6.23 0.02 -1.15 -0.77 113.55 117.23 1d3a h SER 126 Ca -0.07 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.76 1d3a h SER 126 Cb 0.53 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.05 1d3a h SER 126 CO 0.12 0.15 -0.55 -0.07 -1.14 0.00 0.00 176.83 175.34 1d3a h LEU 127 N 0.35 0.63 -2.25 5.07 3.38 -1.34 -3.21 115.31 117.93 1d3a h LEU 127 Ca 0.43 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1d3a h LEU 127 Cb 1.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1d3a h LEU 127 CO -0.14 1.19 0.21 0.44 0.09 0.00 0.00 178.44 180.23 1d3a h ASP 128 N 0.11 0.00 -0.70 -0.43 3.32 0.63 -1.78 116.42 117.57 1d3a h ASP 128 Ca -0.04 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.61 1d3a h ASP 128 Cb 1.20 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 1d3a h ASP 128 CO 0.11 0.00 0.50 -1.84 -1.72 0.00 0.00 179.24 176.30 1d3a n GLU 129 N -3.69 1.96 0.00 3.56 0.28 -1.06 -3.69 120.64 118.00 1d3a n GLU 129 Ca 0.01 -2.16 0.00 0.00 -0.16 0.00 0.00 57.16 54.85 1d3a n GLU 129 Cb 0.32 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.34 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 -0.53 0.00 -4.28 -1.84 8.25 -0.74 -5.05 115.22 111.03 1d3a n HIS 130 Ca 0.43 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.71 1d3a n HIS 130 Cb 1.13 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.15 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 1.28 0.14 0.41 -0.87 -0.80 -3.76 114.94 111.34 1d3a s ASN 131 Ca 0.00 -1.62 -0.34 0.00 -1.57 0.00 0.00 52.86 49.33 1d3a s ASN 131 Cb 0.00 0.48 -0.17 0.00 -0.02 0.00 0.00 41.25 41.54 1d3a s ASN 131 CO 0.00 -0.96 1.13 -0.67 -2.57 0.00 0.00 177.10 174.03 1d3a n ASP 132 N -1.08 1.01 -3.58 -1.22 4.64 -1.26 -4.48 116.55 110.58 1d3a n ASP 132 Ca 0.04 1.14 -0.06 0.00 -1.38 0.00 0.00 54.79 54.53 1d3a n ASP 132 Cb 0.64 -1.15 -0.03 0.00 -1.04 0.00 0.00 41.12 39.54 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 -0.11 -0.22 -0.09 -0.67 1.13 -1.26 -4.84 117.35 111.29 1d3a s TYR 133 Ca 0.77 0.25 -0.09 0.00 -1.41 0.00 0.00 57.07 56.59 1d3a s TYR 133 Cb -0.93 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 40.38 1d3a s TYR 133 CO 0.52 -0.27 0.22 0.42 -2.51 0.00 0.00 175.55 173.93 1d3a s ILE 134 N -1.95 5.37 0.03 -3.49 1.01 -0.98 -4.93 121.20 116.26 1d3a s ILE 134 Ca 0.05 0.39 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1d3a s ILE 134 Cb -0.01 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1d3a s ILE 134 CO -0.04 0.60 -0.20 -0.94 0.00 0.00 0.00 174.94 174.36 1d3a s SER 135 N -0.99 3.67 -0.24 3.58 1.04 0.67 -0.04 113.70 121.39 1d3a s SER 135 Ca 0.17 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1d3a s SER 135 Cb -0.13 -0.56 0.07 0.00 0.10 0.00 0.00 66.02 65.49 1d3a s SER 135 CO 0.07 0.27 -0.02 -0.22 0.98 0.00 0.00 173.24 174.32 1d3a s LEU 136 N -1.26 2.40 -0.14 2.42 2.96 0.23 -1.55 118.68 123.74 1d3a s LEU 136 Ca 0.13 -1.20 -0.04 0.00 -0.22 0.00 0.00 54.13 52.80 1d3a s LEU 136 Cb -0.10 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1d3a s LEU 136 CO 0.04 -0.27 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.89 1d3a s THR 137 N 1.47 4.14 -0.21 3.68 2.01 -0.53 -0.74 115.64 125.46 1d3a s THR 137 Ca -0.03 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 61.81 1d3a s THR 137 Cb -0.18 -2.80 -0.21 0.00 0.01 0.00 0.00 72.50 69.31 1d3a s THR 137 CO -0.08 0.51 -0.04 0.35 -0.69 0.00 0.00 174.62 174.67 1d3a n THR 138 N 3.20 1.35 -0.63 -0.82 -2.24 -0.18 -0.12 114.28 114.84 1d3a n THR 138 Ca -0.17 -0.71 -0.25 0.00 -2.27 0.00 0.00 64.05 60.64 1d3a n THR 138 Cb 0.53 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.90 0.01 -4.76 3.42 7.64 -1.24 -4.50 113.62 111.29 1d3a n SER 139 Ca -0.36 0.49 -0.35 0.00 1.01 0.00 0.00 58.87 59.66 1d3a n SER 139 Cb 1.06 -0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.03 5.68 -0.08 6.43 0.01 -1.26 -2.17 114.94 123.57 1d3a s ASN 140 Ca 0.38 0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 52.48 1d3a s ASN 140 Cb -0.54 -1.68 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1d3a s ASN 140 CO 0.24 0.36 1.71 -2.84 -1.51 0.00 0.00 177.10 175.06 1d3a s PRO 141 N -1.16 4.07 0.06 -0.60 0.02 -1.26 -4.82 135.00 131.30 1d3a s PRO 141 Ca 0.16 2.15 -0.23 0.00 0.02 0.00 0.00 61.00 63.10 1d3a s PRO 141 Cb -0.12 -4.03 -0.15 0.00 0.02 0.00 0.00 34.50 30.22 1d3a s PRO 141 CO 0.06 -0.99 1.60 -0.24 -0.33 0.00 0.00 177.00 177.10 1d3a h VAL 142 N 5.74 1.13 -0.92 3.83 3.04 -1.66 -0.04 116.25 127.37 1d3a h VAL 142 Ca -0.40 -0.38 0.09 0.00 -1.01 0.00 0.00 66.70 65.01 1d3a h VAL 142 Cb 1.18 1.33 -0.07 0.00 -2.01 0.00 0.00 31.29 31.72 1d3a h VAL 142 CO 0.96 0.10 0.60 0.44 -1.01 0.00 0.00 177.57 178.66 1d3a h ASP 143 N -0.10 0.88 0.00 3.17 3.32 -1.88 0.12 116.42 121.92 1d3a h ASP 143 Ca 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1d3a h ASP 143 Cb 0.15 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1d3a h ASP 143 CO -0.00 0.53 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.87 1d3a h LEU 144 N 0.98 0.00 -1.91 1.55 3.38 -1.84 -2.97 115.31 114.49 1d3a h LEU 144 Ca 0.42 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1d3a h LEU 144 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1d3a h LEU 144 CO -0.18 0.92 0.06 -0.07 0.09 0.00 0.00 178.44 179.27 1d3a h LEU 145 N -1.00 0.10 -0.02 1.67 3.38 -0.91 -0.56 115.31 117.97 1d3a h LEU 145 Ca -0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1d3a h LEU 145 Cb 0.80 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1d3a h LEU 145 CO -0.02 0.07 -0.28 -1.13 0.09 0.00 0.00 178.44 177.18 1d3a h ASN 146 N 0.12 0.28 -0.91 -0.43 -1.24 -0.90 -2.69 115.58 109.81 1d3a h ASN 146 Ca 0.04 -0.73 0.15 0.00 0.71 0.00 0.00 56.30 56.46 1d3a h ASN 146 Cb -0.00 -0.08 -0.09 0.00 0.73 0.00 0.00 38.32 38.87 1d3a h ASN 146 CO -0.01 0.97 0.51 -0.09 -1.29 0.00 0.00 177.43 177.52 1d3a h ARG 147 N -0.39 0.70 -0.50 6.67 9.65 -1.27 -1.25 114.38 127.98 1d3a h ARG 147 Ca -0.03 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 1d3a h ARG 147 Cb 1.00 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 1d3a h ARG 147 CO 0.06 0.46 0.19 1.25 2.80 0.00 0.00 179.97 184.72 1d3a h HIS 148 N 0.72 0.77 -0.70 2.20 2.76 -1.09 -2.36 115.15 117.44 1d3a h HIS 148 Ca 0.49 -0.06 0.15 0.00 -2.20 0.00 0.00 60.37 58.75 1d3a h HIS 148 Cb 0.67 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 1d3a h HIS 148 CO -0.06 0.65 0.48 -0.07 -1.30 0.00 0.00 177.93 177.63 1d3a h LEU 149 N 0.67 0.30 -0.00 0.26 3.38 -0.88 -1.73 115.31 117.31 1d3a h LEU 149 Ca 0.16 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1d3a h LEU 149 Cb 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1d3a h LEU 149 CO -0.01 0.15 -0.04 0.22 0.09 0.00 0.00 178.44 178.85 1d3a h TYR 150 N 0.32 0.05 0.39 1.13 3.20 -1.21 -2.88 116.97 117.97 1d3a h TYR 150 Ca 0.34 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1d3a h TYR 150 Cb 0.89 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 1d3a h TYR 150 CO -0.00 0.77 -0.23 0.93 -1.64 0.00 0.00 178.16 177.99 1d3a h GLU 151 N -0.69 -0.57 0.00 1.82 4.39 -1.17 -2.09 114.58 116.28 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 0.78 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1d3a h GLU 151 CO 0.01 -0.38 0.00 0.00 -1.16 0.00 0.00 179.01 177.48 1d3a n ALA 152 N -2.41 2.11 -2.63 3.43 0.00 -0.68 -4.79 120.51 115.55 1d3a n ALA 152 Ca -0.11 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 1d3a n ALA 152 Cb 0.27 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.55 2.71 -0.03 0.00 0.00 -0.78 -5.03 107.32 102.63 1d3a s GLY 153 Ca 0.07 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.72 1d3a s GLY 153 CO 0.05 -2.02 1.12 1.22 0.00 0.00 0.00 173.10 173.47 1d3a n ASP 154 N -1.16 2.45 -4.90 1.64 9.92 -1.26 -4.93 116.55 118.30 1d3a n ASP 154 Ca -0.11 -2.23 -0.28 0.00 -0.53 0.00 0.00 54.79 51.63 1d3a n ASP 154 Cb 0.66 -0.17 -0.02 0.00 -0.64 0.00 0.00 41.12 40.95 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 -1.41 3.64 0.97 -1.24 0.52 -1.26 -5.06 118.95 115.11 1d3a s ARG 155 Ca 0.14 0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.37 1d3a s ARG 155 Cb 0.10 -2.53 0.17 0.00 0.52 0.00 0.00 34.95 33.21 1d3a s ARG 155 CO 0.05 0.07 1.11 0.45 0.02 0.00 0.00 175.30 177.00 1d3a s SER 156 N -3.41 2.56 0.40 0.23 0.15 -1.26 -4.92 113.70 107.45 1d3a s SER 156 Ca 0.46 1.95 0.20 0.00 0.70 0.00 0.00 55.95 59.26 1d3a s SER 156 Cb -0.10 -2.48 0.83 0.00 -1.71 0.00 0.00 66.02 62.56 1d3a s SER 156 CO 0.33 -3.29 1.81 0.08 1.20 0.00 0.00 173.24 173.37 1d3a h ARG 157 N -2.00 0.00 0.00 5.44 0.11 -1.96 -2.98 114.38 112.99 1d3a h ARG 157 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1d3a h ARG 157 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1d3a h ARG 157 CO 0.45 0.32 0.00 0.39 0.10 0.00 0.00 179.97 181.23 1d3a n GLU 158 N -3.61 0.79 0.00 0.08 4.71 -1.26 -2.96 120.64 118.39 1d3a n GLU 158 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1d3a n GLU 158 Cb 0.44 -1.01 0.00 0.00 -1.01 0.00 0.00 31.44 29.87 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 -0.51 1.45 -3.61 3.49 6.02 -1.12 -1.79 117.38 121.30 1d3a n GLN 159 Ca 0.00 -0.31 -0.35 0.00 -0.01 0.00 0.00 57.00 56.33 1d3a n GLN 159 Cb 0.00 -0.80 -0.07 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.30 2.99 -3.52 5.09 0.31 -1.15 -0.24 118.33 121.51 1d3a n VAL 160 Ca 0.00 -5.15 -0.37 0.00 -0.01 0.00 0.00 64.34 58.81 1d3a n VAL 160 Cb 0.01 -2.33 -0.06 0.00 -0.91 0.00 0.00 33.84 30.55 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 -1.55 5.19 -0.11 2.52 1.01 -0.59 -4.71 121.20 122.96 1d3a s ILE 161 Ca 0.29 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 1d3a s ILE 161 Cb -0.05 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1d3a s ILE 161 CO -0.11 0.48 -0.05 -0.83 0.00 0.00 0.00 174.94 174.43 1d3a s GLY 162 N -0.32 1.72 0.04 6.18 0.00 -0.07 -1.46 107.32 113.41 1d3a s GLY 162 Ca 0.21 -0.85 -0.22 0.00 0.00 0.00 0.00 44.72 43.86 1d3a s GLY 162 CO 0.09 -0.41 0.65 -0.12 0.00 0.00 0.00 173.10 173.30 1d3a s PHE 163 N -0.35 3.74 0.02 1.90 2.19 0.83 -1.98 117.98 124.34 1d3a s PHE 163 Ca 0.05 1.32 0.00 0.00 0.33 0.00 0.00 56.93 58.63 1d3a s PHE 163 Cb -0.12 -2.65 0.00 0.00 -1.31 0.00 0.00 43.02 38.94 1d3a s PHE 163 CO 0.02 0.40 0.00 0.41 1.83 0.00 0.00 175.22 177.88 1d3a n GLY 164 N 2.20 -1.83 0.30 13.12 0.00 -1.26 -4.74 105.19 112.97 1d3a n GLY 164 Ca -0.06 0.66 0.11 0.00 0.00 0.00 0.00 46.02 46.72 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 1.27 0.63 -0.02 0.00 -1.84 0.20 103.07 103.31 1d3a h GLY 165 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 47.33 47.44 1d3a h GLY 165 CO 0.00 -0.32 0.53 -0.09 0.00 0.00 0.00 176.54 176.66 1d3a h ARG 166 N 0.23 0.49 0.05 4.80 9.65 -1.88 0.18 114.38 127.90 1d3a h ARG 166 Ca 0.51 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 59.30 1d3a h ARG 166 Cb 0.99 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 29.47 1d3a h ARG 166 CO -0.62 0.32 -0.30 1.25 2.80 0.00 0.00 179.97 183.43 1d3a h LEU 167 N 0.51 0.18 -0.30 3.80 5.85 -1.00 -3.03 115.31 121.32 1d3a h LEU 167 Ca 0.40 -0.97 0.06 0.00 0.84 0.00 0.00 57.88 58.21 1d3a h LEU 167 Cb 0.81 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1d3a h LEU 167 CO -0.15 1.13 -0.06 0.44 -0.34 0.00 0.00 178.44 179.47 1d3a h ASP 168 N -0.74 -0.25 0.04 1.25 3.32 -0.73 -1.78 116.42 117.53 1d3a h ASP 168 Ca -0.05 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1d3a h ASP 168 Cb 1.22 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 1d3a h ASP 168 CO 0.06 -0.08 -0.03 0.28 -1.72 0.00 0.00 179.24 177.74 1d3a h SER 169 N 0.02 0.00 -0.10 6.45 0.02 -0.78 0.16 113.55 119.32 1d3a h SER 169 Ca 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1d3a h SER 169 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1d3a h SER 169 CO -0.30 0.03 -0.18 0.00 -1.14 0.00 0.00 176.83 175.24 1d3a h ALA 170 N 1.97 0.15 -0.47 3.77 0.00 -1.23 -0.74 119.26 122.71 1d3a h ALA 170 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1d3a h ALA 170 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1d3a h ALA 170 CO 0.00 0.08 0.30 0.00 0.00 0.00 0.00 179.25 179.63 1d3a h ARG 171 N -0.16 0.63 -0.82 0.00 3.08 -0.57 -0.59 114.38 115.96 1d3a h ARG 171 Ca 0.00 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1d3a h ARG 171 Cb 0.76 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 1d3a h ARG 171 CO 0.04 0.43 0.53 0.35 -1.07 0.00 0.00 179.97 180.26 1d3a h PHE 172 N 0.63 0.93 -0.02 3.04 3.57 -0.64 -1.93 116.94 122.51 1d3a h PHE 172 Ca 0.17 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.49 1d3a h PHE 172 Cb -0.05 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 1d3a h PHE 172 CO -0.04 0.51 -0.86 0.00 -2.23 0.00 0.00 178.31 175.69 1d3a h ARG 173 N 0.93 0.37 0.26 1.11 3.08 -0.51 -2.86 114.38 116.76 1d3a h ARG 173 Ca 0.34 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1d3a h ARG 173 Cb 0.16 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1d3a h ARG 173 CO -0.12 1.03 -0.13 -0.92 -1.07 0.00 0.00 179.97 178.77 1d3a h TYR 174 N 0.22 -0.33 -0.67 3.04 3.20 -0.39 -1.96 116.97 120.08 1d3a h TYR 174 Ca -0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1d3a h TYR 174 Cb 1.48 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.82 1d3a h TYR 174 CO 0.05 -0.11 0.43 -0.39 -1.64 0.00 0.00 178.16 176.50 1d3a h VAL 175 N -0.48 1.18 -0.59 1.81 -1.51 -1.47 -2.15 116.25 113.04 1d3a h VAL 175 Ca -0.04 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1d3a h VAL 175 Cb 0.36 0.20 -0.03 0.00 -2.13 0.00 0.00 31.29 29.69 1d3a h VAL 175 CO 0.06 0.18 0.39 -0.07 -1.23 0.00 0.00 177.57 176.90 1d3a h LEU 176 N 0.92 0.69 -1.73 4.19 3.38 -1.36 -1.04 115.31 120.36 1d3a h LEU 176 Ca 0.25 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1d3a h LEU 176 Cb -0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1d3a h LEU 176 CO -0.05 0.50 -0.02 0.77 0.09 0.00 0.00 178.44 179.73 1d3a h SER 177 N 0.81 0.00 0.21 -0.43 4.64 -0.75 -0.20 113.55 117.83 1d3a h SER 177 Ca 0.22 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.22 1d3a h SER 177 Cb -0.08 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1d3a h SER 177 CO -0.05 0.02 -1.38 -0.33 -0.87 0.00 0.00 176.83 174.23 1d3a h GLU 178 N 0.00 0.57 -0.25 4.77 4.39 -0.75 -2.39 114.58 120.92 1d3a h GLU 178 Ca -0.00 -0.89 -0.07 0.00 0.34 0.00 0.00 59.36 58.74 1d3a h GLU 178 Cb 0.43 0.32 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1d3a h GLU 178 CO 0.00 1.42 -0.13 0.93 -1.16 0.00 0.00 179.01 180.08 1d3a h GLU 179 N 0.18 0.53 -0.14 2.33 4.39 -0.51 -3.23 114.58 118.12 1d3a h GLU 179 Ca -0.23 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1d3a h GLU 179 Cb 2.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1d3a h GLU 179 CO 0.26 0.79 0.00 1.19 -1.16 0.00 0.00 179.01 180.09 1d3a n PHE 180 N -4.48 0.17 -3.73 4.33 3.01 -0.15 -4.98 117.46 111.63 1d3a n PHE 180 Ca -0.04 -0.08 -0.31 0.00 1.01 0.00 0.00 57.45 58.03 1d3a n PHE 180 Cb 0.35 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.89 -5.22 -4.20 4.37 2.03 -0.91 -4.99 116.55 108.51 1d3a n ASP 181 Ca 0.17 -0.98 -0.12 0.00 0.52 0.00 0.00 54.79 54.38 1d3a n ASP 181 Cb 0.49 -2.83 -0.10 0.00 -0.72 0.00 0.00 41.12 37.96 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 -3.33 1.15 0.04 -1.67 0.00 -1.15 -5.07 121.76 111.74 1d3a s ALA 182 Ca 0.34 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1d3a s ALA 182 Cb -0.14 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 1d3a s ALA 182 CO 0.88 -0.21 1.74 -2.14 0.00 0.00 0.00 175.76 176.04 1d3a s PRO 183 N -3.82 4.17 0.63 0.00 0.02 -1.26 -4.76 135.00 129.99 1d3a s PRO 183 Ca 0.15 2.39 0.23 0.00 0.02 0.00 0.00 61.00 63.78 1d3a s PRO 183 Cb 0.05 -3.81 1.11 0.00 0.02 0.00 0.00 34.50 31.87 1d3a s PRO 183 CO -0.02 -0.82 1.61 -0.24 -0.33 0.00 0.00 177.00 177.19 1d3a h VAL 184 N 5.14 0.10 -0.09 3.83 3.04 -1.92 1.60 116.25 127.96 1d3a h VAL 184 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1d3a h VAL 184 Cb 1.21 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1d3a h VAL 184 CO 0.94 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.50 1d3a n GLN 185 N -3.09 1.48 0.00 4.17 6.02 -1.26 -2.79 117.38 121.91 1d3a n GLN 185 Ca 0.06 -0.72 0.06 0.00 -0.01 0.00 0.00 57.00 56.38 1d3a n GLN 185 Cb 0.79 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.64 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 -0.08 1.19 -4.66 1.08 3.02 0.55 -4.94 115.26 111.42 1d3a n ASN 186 Ca 0.17 -1.09 -0.38 0.00 -0.03 0.00 0.00 54.58 53.24 1d3a n ASN 186 Cb 0.25 0.60 -0.08 0.00 -0.61 0.00 0.00 39.78 39.95 1d3a n ASN 186 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1d3a s VAL 187 N -1.74 5.22 -0.42 2.41 1.01 -1.12 -2.72 120.40 123.05 1d3a s VAL 187 Ca 0.09 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1d3a s VAL 187 Cb 0.10 -3.69 0.11 0.00 0.00 0.00 0.00 36.38 32.91 1d3a s VAL 187 CO 0.36 0.25 0.16 -0.70 0.00 0.00 0.00 175.10 175.17 1d3a s GLU 188 N 1.42 1.76 0.04 2.72 2.12 -0.08 -5.00 118.70 121.68 1d3a s GLU 188 Ca 0.16 -2.13 0.03 0.00 0.36 0.00 0.00 54.97 53.39 1d3a s GLU 188 Cb -0.15 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1d3a s GLU 188 CO 0.08 -1.02 -0.09 0.20 -0.54 0.00 0.00 175.26 173.89 1d3a s GLY 189 N 0.65 0.53 0.04 -1.50 0.00 -1.26 -2.07 107.32 103.72 1d3a s GLY 189 Ca 0.13 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.17 1d3a s GLY 189 CO -0.05 -0.72 -0.08 -1.59 0.00 0.00 0.00 173.10 170.66 1d3a s THR 190 N -1.07 0.59 -0.18 0.90 2.01 -1.26 -4.73 115.64 111.89 1d3a s THR 190 Ca -0.05 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 60.94 1d3a s THR 190 Cb -0.08 -0.63 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1d3a s THR 190 CO 0.01 -0.31 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.88 1d3a s ILE 191 N -1.24 1.61 0.00 1.82 1.01 -1.26 -1.79 121.20 121.35 1d3a s ILE 191 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1d3a s ILE 191 Cb -0.09 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1d3a s ILE 191 CO 0.01 0.25 0.00 0.18 0.00 0.00 0.00 174.94 175.37 1d3a n LEU 192 N 4.71 0.00 0.00 2.97 4.77 -0.28 -4.69 117.00 124.47 1d3a n LEU 192 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1d3a n LEU 192 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1d3a n LEU 192 CO 0.20 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1d3a n GLY 193 N 5.00 -0.04 3.77 -0.72 0.00 -0.22 -1.40 105.19 111.58 1d3a n GLY 193 Ca 0.00 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 4.11 -1.31 1.61 2.12 0.28 -0.79 118.70 124.72 1d3a s GLU 194 Ca 0.00 1.73 -0.11 0.00 0.36 0.00 0.00 54.97 56.95 1d3a s GLU 194 Cb 0.00 -2.65 0.14 0.00 0.26 0.00 0.00 34.13 31.88 1d3a s GLU 194 CO 0.00 -0.24 1.90 1.58 -0.54 0.00 0.00 175.26 177.96 1d3a n HIS 195 N 0.07 3.26 0.00 5.30 -0.00 -1.26 -3.89 115.22 118.70 1d3a n HIS 195 Ca 0.04 -2.87 0.00 0.00 -0.00 0.00 0.00 57.72 54.89 1d3a n HIS 195 Cb 0.47 -2.09 0.00 0.00 -0.00 0.00 0.00 29.99 28.37 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 3.20 -1.01 0.08 1.57 0.00 -1.26 -4.86 105.19 102.90 1d3a n GLY 196 Ca 0.42 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 0.12 0.00 1.61 5.19 -2.03 -3.34 116.42 117.97 1d3a h ASP 197 Ca 0.00 -0.30 -0.61 0.00 -0.62 0.00 0.00 57.03 55.50 1d3a h ASP 197 Cb 0.00 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.50 1d3a h ASP 197 CO 0.00 0.39 2.70 0.00 -3.12 0.00 0.00 179.24 179.21 1d3a n ALA 198 N -2.27 4.51 -2.45 3.45 0.00 -1.26 -4.90 120.51 117.58 1d3a n ALA 198 Ca -0.07 -3.18 -0.32 0.00 0.00 0.00 0.00 53.44 49.88 1d3a n ALA 198 Cb 0.18 -3.46 -0.13 0.00 0.00 0.00 0.00 19.45 16.05 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 3.99 2.25 -0.60 0.00 -2.07 -1.25 0.99 119.66 122.97 1d3a s GLN 199 Ca 0.52 -0.86 -0.11 0.00 -1.82 0.00 0.00 55.36 53.09 1d3a s GLN 199 Cb 0.14 -2.25 0.15 0.00 -1.09 0.00 0.00 33.01 29.96 1d3a s GLN 199 CO 0.02 0.57 0.50 0.08 -1.32 0.00 0.00 175.29 175.15 1d3a s VAL 200 N -0.82 4.74 -0.47 3.63 1.01 -0.49 -4.93 120.40 123.07 1d3a s VAL 200 Ca 0.13 -2.05 -0.28 0.00 0.00 0.00 0.00 61.98 59.78 1d3a s VAL 200 Cb -0.10 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1d3a s VAL 200 CO 0.03 -0.88 1.48 -2.84 0.00 0.00 0.00 175.10 172.90 1d3a s PRO 201 N 0.92 3.39 -1.17 2.72 0.02 -1.26 -1.13 135.00 138.49 1d3a s PRO 201 Ca 0.10 0.80 -0.19 0.00 0.02 0.00 0.00 61.00 61.72 1d3a s PRO 201 Cb -0.22 -4.10 -0.04 0.00 0.02 0.00 0.00 34.50 30.16 1d3a s PRO 201 CO -0.02 -1.80 1.94 0.28 -0.33 0.00 0.00 177.00 177.06 1d3a n VAL 202 N 7.06 2.76 0.15 3.83 0.31 -0.74 -4.67 118.33 127.03 1d3a n VAL 202 Ca 0.16 -2.68 0.04 0.00 -0.01 0.00 0.00 64.34 61.85 1d3a n VAL 202 Cb 0.49 -2.35 0.45 0.00 -0.91 0.00 0.00 33.84 31.52 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 7.92 0.18 0.00 3.52 0.04 -1.91 -2.86 116.94 123.83 1d3a h PHE 203 Ca 0.40 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1d3a h PHE 203 Cb 0.79 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1d3a h PHE 203 CO 1.33 0.27 0.00 0.66 -0.60 0.00 0.00 178.31 179.97 1d3a h SER 204 N 0.17 0.00 -0.09 2.17 4.64 -1.96 -2.73 113.55 115.76 1d3a h SER 204 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1d3a h SER 204 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1d3a h SER 204 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1d3a n LYS 205 N -2.77 1.24 -1.76 4.77 5.02 -1.08 -5.05 118.16 118.54 1d3a n LYS 205 Ca -0.02 -1.28 -0.41 0.00 -2.02 0.00 0.00 58.31 54.58 1d3a n LYS 205 Cb 0.09 -1.12 -0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1d3a n LYS 205 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1d3a n VAL 206 N 0.18 1.99 -3.78 -0.18 0.31 -1.03 -4.88 118.33 110.94 1d3a n VAL 206 Ca 0.05 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.72 1d3a n VAL 206 Cb 0.23 -1.90 -0.16 0.00 -0.91 0.00 0.00 33.84 31.10 1d3a n VAL 206 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1d3a s ARG 207 N -2.04 -0.01 -0.09 5.55 3.52 -0.88 -4.33 118.95 120.68 1d3a s ARG 207 Ca 0.54 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.34 1d3a s ARG 207 Cb -0.49 -0.29 0.02 0.00 -1.56 0.00 0.00 34.95 32.62 1d3a s ARG 207 CO 0.63 -0.18 -0.10 0.08 -0.81 0.00 0.00 175.30 174.92 1d3a s VAL 208 N 1.16 1.07 -1.15 7.11 1.01 -0.31 -0.90 120.40 128.40 1d3a s VAL 208 Ca -0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1d3a s VAL 208 Cb -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1d3a s VAL 208 CO -0.03 0.36 0.13 0.47 0.00 0.00 0.00 175.10 176.03 1d3a n ASP 209 N 4.31 -4.07 0.00 3.32 8.00 -1.10 -0.35 116.55 126.66 1d3a n ASP 209 Ca -0.19 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1d3a n ASP 209 Cb 0.51 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 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 -0.93 1.27 3.97 0.44 0.00 -1.26 -5.04 105.19 103.64 1d3a n GLY 210 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.91 5.18 -0.70 2.61 -4.23 0.53 -5.08 115.64 111.05 1d3a s THR 210 Ca 0.00 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1d3a s THR 210 Cb 0.00 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.18 1d3a s THR 210 CO 0.00 -0.32 0.51 -1.81 -0.54 0.00 0.00 174.62 172.45 1d3a s ASP 211 N -3.99 5.11 0.88 3.99 -0.00 -1.26 -1.16 116.67 120.25 1d3a s ASP 211 Ca 0.34 -3.41 -0.12 0.00 -0.00 0.00 0.00 52.55 49.36 1d3a s ASP 211 Cb -0.09 -1.76 0.09 0.00 -0.00 0.00 0.00 42.92 41.16 1d3a s ASP 211 CO 0.29 -0.21 0.95 -0.81 -0.00 0.00 0.00 175.17 175.39 1d3a n PRO 212 N 2.66 -0.17 -4.58 8.23 -0.04 -1.26 -5.02 135.00 134.82 1d3a n PRO 212 Ca 0.14 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 1d3a n PRO 212 Cb 0.36 -2.24 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 1d3a n PRO 212 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1d3a s GLU 219 N -4.11 2.59 -0.18 0.54 0.41 -1.26 -4.94 118.70 111.75 1d3a s GLU 219 Ca 0.67 -0.67 0.01 0.00 -0.41 0.00 0.00 54.97 54.56 1d3a s GLU 219 Cb -0.25 -2.50 0.02 0.00 -1.78 0.00 0.00 34.13 29.62 1d3a s GLU 219 CO 0.58 0.62 -0.20 -0.06 -0.49 0.00 0.00 175.26 175.71 1d3a s PHE 220 N -0.90 2.74 0.54 1.61 0.08 -1.26 -5.10 117.98 115.69 1d3a s PHE 220 Ca 0.15 -1.61 -0.18 0.00 0.12 0.00 0.00 56.93 55.41 1d3a s PHE 220 Cb -0.11 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.38 1d3a s PHE 220 CO 0.05 -0.79 1.04 -1.54 -0.10 0.00 0.00 175.22 173.87 1d3a s SER 221 N 1.27 6.13 0.58 1.36 1.04 -1.26 -4.82 113.70 118.00 1d3a s SER 221 Ca 0.04 1.83 0.29 0.00 0.48 0.00 0.00 55.95 58.59 1d3a s SER 221 Cb -0.13 -2.54 1.46 0.00 0.10 0.00 0.00 66.02 64.91 1d3a s SER 221 CO -0.12 -0.93 1.88 1.23 0.98 0.00 0.00 173.24 176.28 1d3a h GLY 222 N 0.97 0.00 0.74 7.32 0.00 -2.00 0.95 103.07 111.05 1d3a h GLY 222 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1d3a h GLY 222 CO 0.59 0.00 -1.04 2.09 0.00 0.00 0.00 176.54 178.17 1d3a n ASP 223 N -3.80 0.63 -0.03 0.19 5.75 -1.26 -2.94 116.55 115.10 1d3a n ASP 223 Ca 0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.74 1d3a n ASP 223 Cb 0.74 0.71 -0.10 0.00 -1.03 0.00 0.00 41.12 41.43 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 0.25 -0.96 0.11 5.08 -1.21 -1.72 114.58 116.13 1d3a h GLU 224 Ca 0.00 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1d3a h GLU 224 Cb 0.83 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 1d3a h GLU 224 CO 0.00 0.91 0.62 0.87 -1.00 0.00 0.00 179.01 180.41 1d3a h LYS 225 N -0.32 1.00 -0.18 2.33 1.57 -1.37 0.33 116.57 119.92 1d3a h LYS 225 Ca -0.03 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1d3a h LYS 225 Cb 0.99 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1d3a h LYS 225 CO 0.06 0.66 -0.48 1.49 -0.57 0.00 0.00 179.45 180.61 1d3a h GLU 226 N 1.03 0.49 -0.38 3.15 4.81 -1.48 -1.39 114.58 120.80 1d3a h GLU 226 Ca 0.44 -0.28 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1d3a h GLU 226 Cb 0.34 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1d3a h GLU 226 CO -0.20 0.86 -0.36 0.37 -0.73 0.00 0.00 179.01 178.96 1d3a h GLN 227 N 0.39 0.92 -0.08 1.92 4.15 -0.27 -2.43 115.11 119.70 1d3a h GLN 227 Ca 0.02 -0.48 -0.01 0.00 0.77 0.00 0.00 58.65 58.95 1d3a h GLN 227 Cb 0.99 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 1d3a h GLN 227 CO 0.09 1.13 0.01 -0.07 -1.93 0.00 0.00 178.83 178.06 1d3a h LEU 228 N 0.74 0.13 -1.22 -2.39 3.38 -0.87 -0.70 115.31 114.38 1d3a h LEU 228 Ca 0.06 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1d3a h LEU 228 Cb 0.95 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1d3a h LEU 228 CO 0.09 0.36 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1d3a n LEU 229 N -4.87 0.53 -0.05 1.67 4.77 -0.54 -0.52 117.00 117.99 1d3a n LEU 229 Ca -0.06 0.73 -0.12 0.00 -0.03 0.00 0.00 56.01 56.53 1d3a n LEU 229 Cb 0.16 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.37 1d3a n LEU 229 CO 0.34 -0.86 0.37 1.23 -1.33 0.00 0.00 177.39 177.14 1d3a h GLY 230 N 0.33 -0.01 1.01 -0.72 0.00 -0.67 -2.38 103.07 100.62 1d3a h GLY 230 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1d3a h GLY 230 CO 0.00 -0.01 0.48 -0.55 0.00 0.00 0.00 176.54 176.46 1d3a h ASP 231 N -0.95 0.87 0.12 0.19 3.32 0.10 -1.15 116.42 118.92 1d3a h ASP 231 Ca -0.00 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1d3a h ASP 231 Cb 0.81 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1d3a h ASP 231 CO 0.00 0.65 -0.27 0.25 -1.72 0.00 0.00 179.24 178.15 1d3a h LEU 232 N 1.01 -0.78 -0.56 1.55 5.85 -0.89 0.21 115.31 121.71 1d3a h LEU 232 Ca 0.27 0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.17 1d3a h LEU 232 Cb -0.08 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1d3a h LEU 232 CO -0.06 -0.36 0.16 -0.61 -0.34 0.00 0.00 178.44 177.23 1d3a h GLN 233 N -0.48 0.31 -0.42 1.25 5.75 -1.04 -1.83 115.11 118.64 1d3a h GLN 233 Ca 0.03 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 1d3a h GLN 233 Cb 0.51 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1d3a h GLN 233 CO -0.16 0.20 -0.08 1.49 -2.65 0.00 0.00 178.83 177.64 1d3a h GLU 234 N 0.32 0.80 -0.83 1.69 4.81 -0.62 -1.69 114.58 119.05 1d3a h GLU 234 Ca 0.28 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1d3a h GLU 234 Cb 0.37 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1d3a h GLU 234 CO -0.32 0.91 0.55 1.03 -0.73 0.00 0.00 179.01 180.44 1d3a h SER 235 N 0.62 0.85 -0.47 1.04 0.87 -0.17 -1.49 113.55 114.80 1d3a h SER 235 Ca 0.11 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 1d3a h SER 235 Cb 0.60 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1d3a h SER 235 CO 0.04 0.57 -0.13 0.00 -0.53 0.00 0.00 176.83 176.77 1d3a h ALA 236 N 1.53 0.81 0.00 6.23 0.00 -1.02 -2.71 119.26 124.10 1d3a h ALA 236 Ca 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1d3a h ALA 236 Cb 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1d3a h ALA 236 CO -0.11 0.66 -0.15 0.52 0.00 0.00 0.00 179.25 180.16 1d3a h MET 237 N 0.85 0.00 -0.12 0.00 2.07 -0.36 -0.92 114.93 116.46 1d3a h MET 237 Ca 0.13 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.68 1d3a h MET 237 Cb 0.68 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.40 1d3a h MET 237 CO 0.05 0.15 -0.28 -0.44 1.07 0.00 0.00 176.91 177.47 1d3a h ASP 238 N 0.00 0.21 0.37 1.22 3.32 -1.04 0.19 116.42 120.70 1d3a h ASP 238 Ca -0.00 -0.06 -0.32 0.00 0.02 0.00 0.00 57.03 56.67 1d3a h ASP 238 Cb 0.49 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1d3a h ASP 238 CO 0.02 0.49 -1.71 0.58 -1.72 0.00 0.00 179.24 176.90 1d3a h VAL 239 N 0.19 0.92 0.03 -1.35 2.07 -1.35 -2.05 116.25 114.71 1d3a h VAL 239 Ca 0.03 -2.64 -0.25 0.00 0.82 0.00 0.00 66.70 64.66 1d3a h VAL 239 Cb 0.59 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1d3a h VAL 239 CO 0.04 0.75 -1.03 0.40 0.02 0.00 0.00 177.57 177.76 1d3a h ILE 240 N 0.05 1.39 0.00 4.57 2.04 -1.03 -2.70 117.51 121.82 1d3a h ILE 240 Ca -0.30 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.05 1d3a h ILE 240 Cb 2.02 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 40.61 1d3a h ILE 240 CO 0.12 0.75 -0.72 -0.62 0.00 0.00 0.00 178.15 177.68 1d3a n GLU 241 N -3.73 0.38 -0.35 2.37 1.02 0.67 -3.48 120.64 117.52 1d3a n GLU 241 Ca -0.08 0.15 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1d3a n GLU 241 Cb 0.88 -1.16 0.25 0.00 -0.02 0.00 0.00 31.44 31.40 1d3a n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d3a h ARG 242 N -0.72 0.94 0.06 3.49 2.47 -1.50 -3.02 114.38 116.10 1d3a h ARG 242 Ca 0.00 -0.06 -0.30 0.00 -1.26 0.00 0.00 59.98 58.36 1d3a h ARG 242 Cb 0.72 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.80 1d3a h ARG 242 CO 0.00 0.62 -1.67 1.17 0.56 0.00 0.00 179.97 180.65 1d3a n LYS 243 N -4.60 0.65 0.00 0.04 4.81 -0.78 -5.01 118.16 113.27 1d3a n LYS 243 Ca 0.18 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1d3a n LYS 243 Cb 0.36 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.69 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 1.69 1.45 3.64 3.14 0.00 -1.03 -5.04 105.19 109.05 1d3a n GLY 244 Ca -0.33 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.22 -2.10 0.20 4.61 0.00 -1.17 -4.90 121.76 116.18 1d3a s ALA 245 Ca 0.00 2.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 1d3a s ALA 245 Cb 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.46 1d3a s ALA 245 CO 0.00 -0.36 1.16 0.95 0.00 0.00 0.00 175.76 177.51 1d3a s THR 246 N 1.44 3.64 0.00 0.00 -4.23 -1.26 -4.85 115.64 110.37 1d3a s THR 246 Ca -0.09 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 1d3a s THR 246 Cb -0.04 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1d3a s THR 246 CO -0.17 0.25 0.00 1.21 -0.54 0.00 0.00 174.62 175.37 1d3a n GLU 247 N 2.28 0.00 0.02 3.99 2.13 -1.26 -4.62 120.64 123.18 1d3a n GLU 247 Ca 0.03 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 1d3a n GLU 247 Cb 0.45 0.00 -0.04 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 -0.25 -0.52 4.31 -0.00 -1.97 -2.09 115.95 115.42 1d3a h TRP 248 Ca 0.00 0.01 0.05 0.00 -0.00 0.00 0.00 58.89 58.95 1d3a h TRP 248 Cb 0.00 0.12 -0.07 0.00 -0.00 0.00 0.00 29.16 29.22 1d3a h TRP 248 CO 0.00 -0.16 -0.35 0.78 -0.00 0.00 0.00 178.44 178.71 1d3a h GLY 249 N -0.14 -1.55 0.99 1.49 0.00 -1.98 -2.73 103.07 99.15 1d3a h GLY 249 Ca 0.06 0.91 -0.03 0.00 0.00 0.00 0.00 47.33 48.28 1d3a h GLY 249 CO -0.15 -0.39 -0.25 -2.55 0.00 0.00 0.00 176.54 173.20 1d3a h PRO 250 N -0.05 -0.69 0.00 4.80 0.11 -1.89 -3.06 132.00 131.21 1d3a h PRO 250 Ca 0.08 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1d3a h PRO 250 Cb 0.27 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1d3a h PRO 250 CO -0.52 -0.45 0.00 0.00 -0.21 0.00 0.00 178.00 176.83 1d3a n ALA 251 N -2.41 -0.05 -0.18 -0.75 0.00 -0.79 -0.41 120.51 115.91 1d3a n ALA 251 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1d3a n ALA 251 Cb 0.30 0.45 0.05 0.00 0.00 0.00 0.00 19.45 20.25 1d3a n ALA 251 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1d3a h ARG 252 N 0.00 0.00 -0.68 0.00 9.65 -1.61 -0.46 114.38 121.28 1d3a h ARG 252 Ca 0.00 -0.00 0.14 0.00 -1.10 0.00 0.00 59.98 59.02 1d3a h ARG 252 Cb 0.00 -0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.48 1d3a h ARG 252 CO 0.00 0.00 0.15 0.78 2.80 0.00 0.00 179.97 183.70 1d3a h GLY 253 N 0.00 0.90 0.98 2.80 0.00 -1.19 -0.44 103.07 106.12 1d3a h GLY 253 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1d3a h GLY 253 CO -0.56 -0.16 -0.08 -2.08 0.00 0.00 0.00 176.54 173.65 1d3a h VAL 254 N 0.26 0.84 0.00 4.60 2.07 0.89 -2.18 116.25 122.73 1d3a h VAL 254 Ca 0.37 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 1d3a h VAL 254 Cb 0.60 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1d3a h VAL 254 CO -0.47 0.01 -0.02 0.00 0.02 0.00 0.00 177.57 177.11 1d3a h ALA 255 N 0.56 1.36 -0.18 1.67 0.00 -0.59 -0.88 119.26 121.21 1d3a h ALA 255 Ca -0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1d3a h ALA 255 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1d3a h ALA 255 CO 0.04 0.02 -0.43 1.25 0.00 0.00 0.00 179.25 180.13 1d3a h HIS 256 N 0.00 0.78 -0.27 0.00 2.76 -0.50 -2.64 115.15 115.27 1d3a h HIS 256 Ca -0.00 -0.29 -0.19 0.00 -2.20 0.00 0.00 60.37 57.69 1d3a h HIS 256 Cb 0.06 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1d3a h HIS 256 CO 0.00 1.06 -0.56 0.52 -1.30 0.00 0.00 177.93 177.65 1d3a h MET 257 N 0.28 0.84 -0.95 5.26 2.86 -0.74 -2.42 114.93 120.06 1d3a h MET 257 Ca -0.00 -0.54 0.07 0.00 -2.06 0.00 0.00 59.70 57.16 1d3a h MET 257 Cb 1.04 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.70 1d3a h MET 257 CO 0.09 1.17 0.61 0.28 1.06 0.00 0.00 176.91 180.12 1d3a h VAL 258 N 0.64 1.06 -0.07 -2.22 2.07 -1.24 -1.66 116.25 114.83 1d3a h VAL 258 Ca 0.01 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 1d3a h VAL 258 Cb 1.17 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1d3a h VAL 258 CO 0.12 0.20 -0.61 -0.08 0.02 0.00 0.00 177.57 177.22 1d3a h GLU 259 N 1.10 0.24 -0.37 1.57 4.81 -1.42 0.13 114.58 120.64 1d3a h GLU 259 Ca 0.42 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1d3a h GLU 259 Cb 0.18 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1d3a h GLU 259 CO -0.18 0.78 0.01 0.00 -0.73 0.00 0.00 179.01 178.89 1d3a h ALA 260 N 1.18 1.32 0.11 2.92 0.00 -0.81 -0.97 119.26 123.01 1d3a h ALA 260 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1d3a h ALA 260 Cb 1.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1d3a h ALA 260 CO 0.09 0.46 -0.05 0.82 0.00 0.00 0.00 179.25 180.58 1d3a h ILE 261 N 0.55 0.00 -0.84 0.00 2.04 -1.04 -1.04 117.51 117.18 1d3a h ILE 261 Ca 0.12 -0.24 0.22 0.00 1.00 0.00 0.00 64.86 65.95 1d3a h ILE 261 Cb 0.34 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 1d3a h ILE 261 CO 0.01 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.67 1d3a h LEU 262 N -0.39 0.17 -2.30 1.44 3.38 -0.79 0.24 115.31 117.06 1d3a h LEU 262 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d3a h LEU 262 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1d3a h LEU 262 CO 0.02 0.07 0.00 1.41 0.09 0.00 0.00 178.44 180.03 1d3a n HIS 263 N -4.39 0.45 -3.79 1.13 8.25 -0.37 -4.99 115.22 111.51 1d3a n HIS 263 Ca 0.17 -0.24 -0.36 0.00 -0.26 0.00 0.00 57.72 57.03 1d3a n HIS 263 Cb 0.79 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.94 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 1.38 -5.02 0.01 0.41 2.03 0.07 -4.87 116.55 110.55 1d3a n ASP 264 Ca 0.18 -1.09 0.12 0.00 0.52 0.00 0.00 54.79 54.52 1d3a n ASP 264 Cb 0.58 -2.87 0.31 0.00 -0.72 0.00 0.00 41.12 38.42 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 -4.40 0.04 -1.58 5.18 -2.24 -0.49 -4.85 114.28 105.93 1d3a n THR 265 Ca -0.10 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 1d3a n THR 265 Cb 0.58 0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.48 1.81 3.77 3.38 0.00 0.18 -4.95 105.19 110.87 1d3a n GLY 266 Ca 0.06 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.68 4.07 -0.37 1.61 2.12 -1.23 -4.57 118.70 116.66 1d3a s GLU 267 Ca 0.00 1.69 -0.13 0.00 0.36 0.00 0.00 54.97 56.89 1d3a s GLU 267 Cb 0.00 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.80 1d3a s GLU 267 CO 0.00 -0.26 0.25 0.08 -0.54 0.00 0.00 175.26 174.79 1d3a s VAL 268 N -1.52 5.08 0.17 3.70 1.01 -1.26 -0.82 120.40 126.75 1d3a s VAL 268 Ca 0.58 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1d3a s VAL 268 Cb -0.27 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1d3a s VAL 268 CO 0.33 -0.15 -0.16 -0.76 0.00 0.00 0.00 175.10 174.36 1d3a s LEU 269 N 1.67 2.47 0.01 3.92 1.43 -0.42 -4.88 118.68 122.87 1d3a s LEU 269 Ca 0.05 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 1d3a s LEU 269 Cb -0.18 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 1d3a s LEU 269 CO 0.09 -0.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.48 1d3a s PRO 270 N -3.05 4.49 0.05 1.29 0.04 -1.26 -0.88 135.00 135.68 1d3a s PRO 270 Ca 0.16 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 1d3a s PRO 270 Cb -0.04 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1d3a s PRO 270 CO 0.06 -0.16 0.20 0.00 0.04 0.00 0.00 177.00 177.13 1d3a s ALA 271 N 1.17 -0.35 -0.30 8.56 0.00 -0.14 -3.27 121.76 127.43 1d3a s ALA 271 Ca 0.54 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1d3a s ALA 271 Cb -0.24 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1d3a s ALA 271 CO 0.27 -0.39 0.25 0.45 0.00 0.00 0.00 175.76 176.34 1d3a s SER 272 N -2.24 6.08 0.16 0.00 0.15 -0.84 -0.67 113.70 116.34 1d3a s SER 272 Ca -0.03 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1d3a s SER 272 Cb 0.00 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1d3a s SER 272 CO -0.05 -0.16 0.03 0.68 1.20 0.00 0.00 173.24 174.94 1d3a s VAL 273 N 1.82 0.41 -0.07 4.45 -7.23 -1.10 -0.89 120.40 117.79 1d3a s VAL 273 Ca 0.08 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1d3a s VAL 273 Cb -0.16 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1d3a s VAL 273 CO 0.11 -0.45 1.33 -0.75 -0.31 0.00 0.00 175.10 175.03 1d3a s LYS 274 N -3.98 4.28 0.35 4.82 2.47 -1.26 -3.63 119.74 122.78 1d3a s LYS 274 Ca 0.25 1.81 -0.13 0.00 -1.56 0.00 0.00 55.97 56.34 1d3a s LYS 274 Cb 0.07 -3.67 -0.08 0.00 -1.46 0.00 0.00 37.83 32.69 1d3a s LYS 274 CO 0.03 -0.61 0.73 -0.51 0.16 0.00 0.00 175.35 175.16 1d3a s LEU 275 N 2.86 3.99 -0.37 5.43 1.43 -0.30 -5.00 118.68 126.71 1d3a s LEU 275 Ca 0.60 1.20 0.13 0.00 -1.03 0.00 0.00 54.13 55.02 1d3a s LEU 275 Cb -0.27 -4.03 0.39 0.00 0.03 0.00 0.00 46.19 42.32 1d3a s LEU 275 CO 0.22 -0.27 0.93 -0.62 0.23 0.00 0.00 176.35 176.84 1d3a n GLU 276 N -0.70 1.06 0.00 1.70 1.02 -1.26 -3.42 120.64 119.04 1d3a n GLU 276 Ca 0.03 -2.99 0.00 0.00 -0.02 0.00 0.00 57.16 54.18 1d3a n GLU 276 Cb 0.53 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.07 2.44 3.61 0.62 0.00 0.14 -4.97 105.19 107.10 1d3a n GLY 277 Ca 0.14 -0.80 -0.46 0.00 0.00 0.00 0.00 46.02 44.89 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 1.46 -0.79 1.61 4.71 -1.24 0.43 120.64 126.81 1d3a n GLU 278 Ca 0.00 0.52 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 1d3a n GLU 278 Cb 0.00 -2.01 0.00 0.00 -1.01 0.00 0.00 31.44 28.42 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 1.14 0.00 -0.34 -0.32 3.72 -1.26 -2.54 117.46 117.86 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 0.29 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.94 0.73 3.75 1.37 0.00 0.17 -5.07 105.19 104.20 1d3a n GLY 280 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.44 2.77 0.14 1.61 3.76 -1.05 -4.93 115.29 115.16 1d3a s HIS 282 Ca 0.00 -0.32 -0.25 0.00 -0.15 0.00 0.00 55.06 54.35 1d3a s HIS 282 Cb 0.00 -1.57 0.06 0.00 1.11 0.00 0.00 32.58 32.18 1d3a s HIS 282 CO 0.00 0.37 0.81 -1.83 -0.85 0.00 0.00 174.74 173.24 1d3a s GLU 283 N -3.84 1.26 -1.38 1.40 -1.05 -1.26 0.28 118.70 114.10 1d3a s GLU 283 Ca 0.37 -0.60 -0.03 0.00 -0.15 0.00 0.00 54.97 54.56 1d3a s GLU 283 Cb -0.04 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 1d3a s GLU 283 CO 0.23 -0.57 0.65 -3.47 0.95 0.00 0.00 175.26 173.05 1d3a n ASP 284 N -0.39 -1.44 -3.77 0.83 2.03 -1.22 -4.95 116.55 107.64 1d3a n ASP 284 Ca -0.09 -0.88 -0.08 0.00 0.52 0.00 0.00 54.79 54.26 1d3a n ASP 284 Cb 0.62 -3.66 -0.02 0.00 -0.72 0.00 0.00 41.12 37.33 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 -3.70 0.00 -0.29 5.18 -1.32 -1.26 -4.61 115.64 109.65 1d3a s THR 285 Ca 0.12 -0.80 -0.05 0.00 -1.21 0.00 0.00 61.69 59.75 1d3a s THR 285 Cb -0.06 -1.77 0.15 0.00 -1.51 0.00 0.00 72.50 69.31 1d3a s THR 285 CO 0.84 -0.01 0.58 0.00 -2.21 0.00 0.00 174.62 173.83 1d3a s ALA 286 N -3.89 -1.97 0.00 11.08 0.00 -1.26 -1.16 121.76 124.57 1d3a s ALA 286 Ca 0.09 1.90 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1d3a s ALA 286 Cb -0.04 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1d3a s ALA 286 CO 0.02 -1.13 0.00 1.97 0.00 0.00 0.00 175.76 176.62 1d3a n PHE 287 N 5.43 -0.08 -2.97 0.00 -1.74 -1.24 -4.76 117.46 112.11 1d3a n PHE 287 Ca -0.06 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.42 1d3a n PHE 287 Cb 0.50 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.45 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 -0.48 1.86 0.21 4.97 0.00 0.03 -2.72 107.32 111.18 1d3a s GLY 288 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.58 1d3a s GLY 288 CO 0.00 1.64 -0.07 -1.34 0.00 0.00 0.00 173.10 173.33 1d3a s VAL 289 N 2.54 1.36 0.01 1.40 -7.23 0.15 -1.05 120.40 117.58 1d3a s VAL 289 Ca 0.33 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 1d3a s VAL 289 Cb -0.16 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1d3a s VAL 289 CO 0.09 -0.49 1.34 -2.84 -0.31 0.00 0.00 175.10 172.88 1d3a s PRO 290 N -3.75 4.32 0.09 4.82 0.02 -1.26 -0.97 135.00 138.27 1d3a s PRO 290 Ca 0.24 1.90 0.08 0.00 0.02 0.00 0.00 61.00 63.25 1d3a s PRO 290 Cb 0.03 -3.50 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 1d3a s PRO 290 CO 0.07 -0.50 -0.21 0.08 -0.33 0.00 0.00 177.00 176.11 1d3a s VAL 291 N 2.05 1.70 -0.30 3.83 1.01 -0.06 -2.08 120.40 126.55 1d3a s VAL 291 Ca 0.62 -1.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1d3a s VAL 291 Cb -0.31 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1d3a s VAL 291 CO 0.26 -0.01 0.17 -0.60 0.00 0.00 0.00 175.10 174.92 1d3a s ARG 292 N -1.77 3.64 0.16 2.72 3.52 0.08 -1.31 118.95 125.99 1d3a s ARG 292 Ca 0.07 -0.52 -0.18 0.00 -0.13 0.00 0.00 55.73 54.96 1d3a s ARG 292 Cb -0.10 -3.62 -0.07 0.00 -1.56 0.00 0.00 34.95 29.60 1d3a s ARG 292 CO 0.04 -0.30 0.63 -0.51 -0.81 0.00 0.00 175.30 174.35 1d3a s LEU 293 N 1.69 4.40 0.00 -0.88 1.43 -0.00 -0.09 118.68 125.23 1d3a s LEU 293 Ca 0.06 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1d3a s LEU 293 Cb -0.16 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1d3a s LEU 293 CO 0.08 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1d3a n GLY 294 N 1.03 2.75 0.23 -3.19 0.00 -0.64 -0.64 105.19 104.74 1d3a n GLY 294 Ca -0.05 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.41 1.61 0.02 -1.83 -2.62 113.55 110.32 1d3a h SER 295 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1d3a h SER 295 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1d3a h SER 295 CO 0.00 0.18 0.00 0.59 -1.14 0.00 0.00 176.83 176.46 1d3a n ASN 296 N -4.27 3.70 0.00 3.07 3.02 -1.26 -4.95 115.26 114.57 1d3a n ASN 296 Ca -0.02 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1d3a n ASN 296 Cb 0.25 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.66 1.89 3.60 7.41 0.00 -0.99 -4.66 105.19 113.11 1d3a n GLY 297 Ca 0.18 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 4.14 -0.89 1.61 1.01 -0.74 -1.61 120.40 123.92 1d3a s VAL 298 Ca 0.00 1.14 0.27 0.00 0.00 0.00 0.00 61.98 63.39 1d3a s VAL 298 Cb 0.00 -4.58 0.17 0.00 0.00 0.00 0.00 36.38 31.97 1d3a s VAL 298 CO 0.00 -1.03 1.69 -0.62 0.00 0.00 0.00 175.10 175.14 1d3a n GLU 299 N 7.96 0.10 0.00 2.72 -0.58 0.87 -4.83 120.64 126.88 1d3a n GLU 299 Ca 0.12 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1d3a n GLU 299 Cb 0.49 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 -1.76 0.00 -3.52 3.49 2.13 -1.23 -4.95 120.64 114.80 1d3a n GLU 301 Ca 0.06 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.46 1d3a n GLU 301 Cb 0.37 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.00 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 -1.94 4.36 -0.24 6.31 1.01 -1.26 -0.74 121.20 128.70 1d3a s ILE 302 Ca 0.00 -1.70 -0.29 0.00 0.00 0.00 0.00 60.65 58.66 1d3a s ILE 302 Cb 0.00 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 1d3a s ILE 302 CO 0.00 -0.76 1.38 -0.69 0.00 0.00 0.00 174.94 174.87 1d3a s VAL 303 N 1.40 4.05 -0.46 2.92 1.01 -0.88 -4.98 120.40 123.46 1d3a s VAL 303 Ca 0.05 1.21 -0.21 0.00 0.00 0.00 0.00 61.98 63.04 1d3a s VAL 303 Cb -0.26 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.16 1d3a s VAL 303 CO 0.00 -0.33 0.66 -1.61 0.00 0.00 0.00 175.10 173.82 1d3a s GLU 304 N 4.11 3.25 0.74 2.72 2.02 -1.26 -4.29 118.70 125.98 1d3a s GLU 304 Ca 0.60 -0.48 -0.09 0.00 0.02 0.00 0.00 54.97 55.02 1d3a s GLU 304 Cb -0.21 -3.99 0.06 0.00 0.10 0.00 0.00 34.13 30.10 1d3a s GLU 304 CO 0.23 -1.09 1.07 -1.58 0.02 0.00 0.00 175.26 173.91 1d3a s TRP 305 N 2.86 2.98 -0.42 1.61 0.51 -1.26 -5.02 118.94 120.19 1d3a s TRP 305 Ca 0.21 0.61 -0.10 0.00 -2.12 0.00 0.00 56.10 54.70 1d3a s TRP 305 Cb -0.15 -3.27 0.07 0.00 -0.81 0.00 0.00 33.47 29.31 1d3a s TRP 305 CO 0.17 -1.50 0.27 0.34 -0.51 0.00 0.00 176.95 175.73 1d3a s ASP 306 N -4.52 5.71 0.39 2.95 2.15 -1.26 -5.06 116.67 117.03 1d3a s ASP 306 Ca 0.60 -1.40 -0.02 0.00 0.43 0.00 0.00 52.55 52.16 1d3a s ASP 306 Cb -0.11 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.46 1d3a s ASP 306 CO 0.47 -0.53 0.64 -0.76 -0.17 0.00 0.00 175.17 174.82 1d3a s LEU 307 N 1.47 3.88 0.00 -1.34 1.43 -1.26 -5.01 118.68 117.84 1d3a s LEU 307 Ca 0.03 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 53.69 1d3a s LEU 307 Cb -0.23 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.58 1d3a s LEU 307 CO 0.03 -0.39 0.78 -0.90 0.23 0.00 0.00 176.35 176.11 1d3a n ASP 308 N -1.88 0.19 0.44 2.29 5.68 -1.26 -4.74 116.55 117.28 1d3a n ASP 308 Ca -0.03 -1.37 -0.20 0.00 -0.50 0.00 0.00 54.79 52.70 1d3a n ASP 308 Cb 0.56 -0.59 -0.10 0.00 -1.14 0.00 0.00 41.12 39.85 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 -0.95 -1.19 -0.86 -1.12 5.19 -1.98 0.50 116.42 116.01 1d3a h ASP 309 Ca -0.25 0.06 0.19 0.00 -0.62 0.00 0.00 57.03 56.41 1d3a h ASP 309 Cb 0.73 0.34 -0.16 0.00 0.18 0.00 0.00 39.33 40.42 1d3a h ASP 309 CO 0.19 -0.75 -0.12 0.22 -3.12 0.00 0.00 179.24 175.67 1d3a h TYR 310 N -1.20 -0.28 -0.24 4.55 3.20 -2.00 0.76 116.97 121.75 1d3a h TYR 310 Ca -0.11 0.07 -0.18 0.00 3.14 0.00 0.00 58.73 61.65 1d3a h TYR 310 Cb 0.96 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1d3a h TYR 310 CO -0.08 -0.35 -0.54 0.93 -1.64 0.00 0.00 178.16 176.47 1d3a h GLU 311 N 0.03 0.80 -0.59 1.82 5.08 -1.91 -2.71 114.58 117.10 1d3a h GLU 311 Ca 0.45 -0.53 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1d3a h GLU 311 Cb 0.77 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1d3a h GLU 311 CO -0.84 1.16 0.40 1.96 -1.00 0.00 0.00 179.01 180.68 1d3a h GLN 312 N 0.55 0.35 0.23 2.33 4.20 0.12 -1.42 115.11 121.47 1d3a h GLN 312 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1d3a h GLN 312 Cb 1.15 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1d3a h GLN 312 CO 0.12 0.23 -0.11 -0.44 -0.67 0.00 0.00 178.83 177.96 1d3a h ASP 313 N 0.36 -0.26 -0.86 1.46 3.32 -0.79 -2.89 116.42 116.76 1d3a h ASP 313 Ca 0.27 -0.26 0.17 0.00 0.02 0.00 0.00 57.03 57.23 1d3a h ASP 313 Cb 0.60 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1d3a h ASP 313 CO -0.07 0.20 0.57 -0.07 -1.72 0.00 0.00 179.24 178.14 1d3a h LEU 314 N -0.80 0.47 -1.01 1.55 3.38 -1.12 0.20 115.31 117.98 1d3a h LEU 314 Ca -0.03 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1d3a h LEU 314 Cb 0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1d3a h LEU 314 CO 0.05 0.21 -0.11 -0.03 0.09 0.00 0.00 178.44 178.65 1d3a h MET 315 N 0.48 0.59 -0.50 1.13 4.05 -1.24 -2.42 114.93 117.02 1d3a h MET 315 Ca 0.44 -0.17 -0.03 0.00 -0.28 0.00 0.00 59.70 59.65 1d3a h MET 315 Cb 0.97 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 1d3a h MET 315 CO -0.17 0.69 0.19 0.00 0.23 0.00 0.00 176.91 177.84 1d3a h ALA 316 N 1.34 0.66 0.60 0.39 0.00 -0.39 0.23 119.26 122.09 1d3a h ALA 316 Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1d3a h ALA 316 Cb 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1d3a h ALA 316 CO 0.03 0.28 -0.35 -0.44 0.00 0.00 0.00 179.25 178.77 1d3a h ASP 317 N 0.68 -0.87 -0.98 0.00 5.19 -1.30 -0.80 116.42 118.33 1d3a h ASP 317 Ca 0.17 0.05 0.22 0.00 -0.62 0.00 0.00 57.03 56.85 1d3a h ASP 317 Cb 0.22 0.25 -0.12 0.00 0.18 0.00 0.00 39.33 39.86 1d3a h ASP 317 CO -0.01 -0.56 0.56 0.00 -3.12 0.00 0.00 179.24 176.11 1d3a h ALA 318 N -0.55 1.68 0.19 3.45 0.00 -1.32 0.33 119.26 123.04 1d3a h ALA 318 Ca -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1d3a h ALA 318 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1d3a h ALA 318 CO 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 179.25 179.03 1d3a h ALA 319 N 1.70 -0.25 0.60 0.00 0.00 -0.12 -2.83 119.26 118.36 1d3a h ALA 319 Ca 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1d3a h ALA 319 Cb 1.10 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1d3a h ALA 319 CO -0.46 -0.63 -0.29 0.93 0.00 0.00 0.00 179.25 178.81 1d3a h GLU 320 N -0.27 -0.78 -0.95 0.00 5.08 0.25 -2.31 114.58 115.60 1d3a h GLU 320 Ca -0.03 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1d3a h GLU 320 Cb 0.21 0.18 -0.17 0.00 0.50 0.00 0.00 28.75 29.47 1d3a h GLU 320 CO 0.04 -0.52 -0.29 1.17 -1.00 0.00 0.00 179.01 178.41 1d3a n LYS 321 N -4.65 -0.14 0.03 2.33 4.81 -0.04 0.08 118.16 120.57 1d3a n LYS 321 Ca -0.10 1.47 -0.05 0.00 -0.87 0.00 0.00 58.31 58.77 1d3a n LYS 321 Cb 0.32 -2.19 0.17 0.00 0.02 0.00 0.00 35.03 33.34 1d3a n LYS 321 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1d3a h LEU 322 N 0.00 0.46 -0.00 3.14 4.07 -1.56 0.14 115.31 121.56 1d3a h LEU 322 Ca 0.40 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 1d3a h LEU 322 Cb 0.64 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1d3a h LEU 322 CO -0.96 0.79 -0.00 -1.28 -1.08 0.00 0.00 178.44 175.90 1d3a h SER 323 N 0.37 0.00 0.27 -0.43 0.87 0.24 -2.12 113.55 112.75 1d3a h SER 323 Ca 0.04 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1d3a h SER 323 Cb 0.81 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1d3a h SER 323 CO 0.07 0.42 -0.16 0.44 -0.53 0.00 0.00 176.83 177.06 1d3a h ASP 324 N -0.41 -0.41 -1.50 6.23 3.45 -0.52 -2.70 116.42 120.56 1d3a h ASP 324 Ca 0.00 0.02 0.50 0.00 0.43 0.00 0.00 57.03 57.98 1d3a h ASP 324 Cb 0.42 0.12 -0.12 0.00 -0.56 0.00 0.00 39.33 39.18 1d3a h ASP 324 CO 0.00 -0.25 1.00 0.00 -1.57 0.00 0.00 179.24 178.42 1d3a n GLN 325 N -3.25 -0.03 -0.05 3.56 6.02 0.49 0.53 117.38 124.65 1d3a n GLN 325 Ca -0.05 1.21 -0.12 0.00 -0.01 0.00 0.00 57.00 58.02 1d3a n GLN 325 Cb 0.17 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 28.97 1d3a n GLN 325 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1d3a h TYR 326 N 0.00 0.95 -0.78 1.08 3.20 -1.05 -3.11 116.97 117.26 1d3a h TYR 326 Ca 0.89 -0.33 0.04 0.00 3.14 0.00 0.00 58.73 62.47 1d3a h TYR 326 Cb 3.03 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 41.06 1d3a h TYR 326 CO -0.00 1.12 0.49 -0.44 -1.64 0.00 0.00 178.16 177.68 1d3a h ASP 327 N 0.60 0.79 -0.81 -2.11 5.19 0.22 -2.13 116.42 118.17 1d3a h ASP 327 Ca 0.02 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.53 1d3a h ASP 327 Cb 1.10 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.37 1d3a h ASP 327 CO 0.11 0.53 0.45 0.11 -3.12 0.00 0.00 179.24 177.32 1d3a h LYS 328 N 0.93 0.73 -1.16 3.56 1.57 -1.46 0.17 116.57 120.91 1d3a h LYS 328 Ca 0.32 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.84 1d3a h LYS 328 Cb 0.07 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.10 1d3a h LYS 328 CO -0.14 0.48 0.28 0.44 -0.57 0.00 0.00 179.45 179.95 1d3a n ILE 329 N -4.77 2.06 -0.81 1.86 -5.35 -0.82 -5.12 119.36 106.42 1d3a n ILE 329 Ca 0.13 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1d3a n ILE 329 Cb 0.28 -0.94 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 1d3a n ILE 329 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55