#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3n h ILE 3 N 0.00 1.15 0.03 1.53 6.09 -1.98 -2.68 117.51 121.65 1d3n h ILE 3 Ca 0.00 -0.38 -0.00 0.00 -1.37 0.00 0.00 64.86 63.11 1d3n h ILE 3 Cb 0.00 0.54 0.00 0.00 0.47 0.00 0.00 36.82 37.83 1d3n h ILE 3 CO 0.00 0.16 -0.02 -0.26 -3.07 0.00 0.00 178.15 174.97 1d3n h PHE 4 N 0.63 -0.04 0.00 2.19 -1.00 -2.02 0.10 116.94 116.80 1d3n h PHE 4 Ca 0.16 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1d3n h PHE 4 Cb 0.03 0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1d3n h PHE 4 CO 0.00 0.29 0.00 0.39 -1.61 0.00 0.00 178.31 177.39 1d3n n GLU 5 N -4.95 0.25 0.00 1.51 1.02 -1.01 -1.04 120.64 116.42 1d3n n GLU 5 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1d3n n GLU 5 Cb 0.19 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1d3n n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1d3n n LEU 7 N 0.69 0.00 0.21 -4.62 4.77 0.35 -1.77 117.00 116.62 1d3n n LEU 7 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1d3n n LEU 7 Cb 0.10 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.63 1d3n n LEU 7 CO 0.00 0.00 0.80 -0.09 -1.33 0.00 0.00 177.39 176.77 1d3n h ARG 8 N 0.00 0.00 0.02 3.23 9.65 -1.31 0.11 114.38 126.07 1d3n h ARG 8 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1d3n h ARG 8 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1d3n h ARG 8 CO 0.00 0.29 -0.01 0.82 2.80 0.00 0.00 179.97 183.87 1d3n h ILE 9 N 0.00 1.42 -0.36 1.20 2.04 -1.61 -1.39 117.51 118.82 1d3n h ILE 9 Ca -0.00 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 1d3n h ILE 9 Cb 0.52 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1d3n h ILE 9 CO 0.04 0.35 0.01 0.44 0.00 0.00 0.00 178.15 178.99 1d3n h ASP 10 N -0.62 0.53 0.10 1.72 3.32 -1.77 -3.27 116.42 116.42 1d3n h ASP 10 Ca -0.00 -0.10 -0.36 0.00 0.02 0.00 0.00 57.03 56.59 1d3n h ASP 10 Cb 0.59 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.94 1d3n h ASP 10 CO 0.00 0.59 -2.26 -0.62 -1.72 0.00 0.00 179.24 175.24 1d3n n GLU 11 N -4.28 0.68 0.00 3.56 -0.58 0.34 -5.08 120.64 115.29 1d3n n GLU 11 Ca 0.02 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1d3n n GLU 11 Cb 0.25 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1d3n n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d3n n GLY 12 N 1.75 -0.86 2.92 0.62 0.00 -0.52 -4.59 105.19 104.51 1d3n n GLY 12 Ca -0.31 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 1d3n n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d3n s LEU 13 N -2.12 1.25 -0.01 0.99 2.96 -1.26 -4.24 118.68 116.25 1d3n s LEU 13 Ca 0.00 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1d3n s LEU 13 Cb 0.00 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.96 1d3n s LEU 13 CO 0.00 -0.08 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.80 1d3n s ARG 14 N 1.37 0.22 0.00 1.98 0.52 -0.41 -4.99 118.95 117.65 1d3n s ARG 14 Ca -0.02 -0.03 0.24 0.00 -0.52 0.00 0.00 55.73 55.40 1d3n s ARG 14 Cb -0.14 -0.29 0.45 0.00 0.52 0.00 0.00 34.95 35.49 1d3n s ARG 14 CO -0.04 -0.01 1.40 1.28 0.02 0.00 0.00 175.30 177.95 1d3n n LEU 15 N 3.40 2.79 -4.14 2.53 4.77 -1.26 0.33 117.00 125.43 1d3n n LEU 15 Ca -0.18 -1.05 -0.20 0.00 -0.03 0.00 0.00 56.01 54.55 1d3n n LEU 15 Cb 0.56 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1d3n n LEU 15 CO 0.25 0.53 -0.47 -0.75 -1.33 0.00 0.00 177.39 175.62 1d3n s LYS 16 N -1.82 0.97 0.25 3.23 2.47 -1.26 -1.58 119.74 122.00 1d3n s LYS 16 Ca 0.33 -0.74 -0.30 0.00 -1.56 0.00 0.00 55.97 53.71 1d3n s LYS 16 Cb 0.21 -0.98 -0.14 0.00 -1.46 0.00 0.00 37.83 35.46 1d3n s LYS 16 CO 0.31 0.24 1.09 -0.89 0.16 0.00 0.00 175.35 176.26 1d3n n ILE 17 N 1.97 1.60 -4.06 5.43 5.41 -0.94 -4.75 119.36 124.03 1d3n n ILE 17 Ca -0.18 -0.40 -0.10 0.00 1.00 0.00 0.00 62.75 63.07 1d3n n ILE 17 Cb 0.55 -1.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.40 1d3n n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1d3n s TYR 18 N -0.73 0.60 -0.16 1.39 -0.85 0.60 -4.97 117.35 113.22 1d3n s TYR 18 Ca 0.63 -0.92 -0.10 0.00 -0.52 0.00 0.00 57.07 56.17 1d3n s TYR 18 Cb -0.74 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 41.52 1d3n s TYR 18 CO 0.57 -0.89 0.17 0.15 -1.52 0.00 0.00 175.55 174.03 1d3n s LYS 19 N -4.06 3.99 0.00 -3.49 1.02 -1.26 -0.70 119.74 115.23 1d3n s LYS 19 Ca 0.27 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1d3n s LYS 19 Cb 0.02 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1d3n s LYS 19 CO 0.10 0.44 0.00 -0.40 -0.92 0.00 0.00 175.35 174.56 1d3n n ASP 20 N 3.05 -0.33 0.22 2.83 3.85 0.21 -4.81 116.55 121.58 1d3n n ASP 20 Ca -0.16 -0.69 0.15 0.00 -0.71 0.00 0.00 54.79 53.38 1d3n n ASP 20 Cb 0.53 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.84 1d3n n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1d3n h THR 21 N -1.05 0.00 -0.01 2.12 1.35 -1.99 -2.00 112.91 111.33 1d3n h THR 21 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1d3n h THR 21 Cb 0.00 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1d3n h THR 21 CO 0.00 0.00 -0.19 -0.62 -0.25 0.00 0.00 175.52 174.46 1d3n n GLU 22 N -2.85 1.19 -0.60 4.72 -0.58 -1.26 -4.95 120.64 116.31 1d3n n GLU 22 Ca 0.02 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 56.00 1d3n n GLU 22 Cb 0.34 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1d3n n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d3n n GLY 23 N 1.30 0.71 3.87 0.62 0.00 -0.75 -5.06 105.19 105.88 1d3n n GLY 23 Ca 0.14 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1d3n n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d3n s TYR 24 N -2.00 3.41 0.04 1.61 4.12 -1.26 -4.62 117.35 118.65 1d3n s TYR 24 Ca 0.00 0.21 -0.30 0.00 0.02 0.00 0.00 57.07 57.00 1d3n s TYR 24 Cb 0.00 -1.73 -0.08 0.00 -1.52 0.00 0.00 41.96 38.63 1d3n s TYR 24 CO 0.00 0.57 1.73 0.71 0.02 0.00 0.00 175.55 178.58 1d3n s TYR 25 N -1.43 2.09 0.15 2.71 1.51 -1.21 0.66 117.35 121.83 1d3n s TYR 25 Ca 0.31 0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 56.49 1d3n s TYR 25 Cb -0.13 -4.03 -0.04 0.00 -0.11 0.00 0.00 41.96 37.66 1d3n s TYR 25 CO 0.24 -4.27 0.05 0.99 -1.11 0.00 0.00 175.55 171.45 1d3n s THR 26 N 3.28 0.22 0.19 -0.71 2.01 0.12 0.38 115.64 121.14 1d3n s THR 26 Ca 0.77 -1.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.67 1d3n s THR 26 Cb -0.39 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.03 1d3n s THR 26 CO 0.34 -0.42 0.51 -0.51 -0.69 0.00 0.00 174.62 173.85 1d3n s ILE 27 N -3.97 0.03 0.00 1.82 2.07 -0.41 -0.29 121.20 120.44 1d3n s ILE 27 Ca 0.26 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 1d3n s ILE 27 Cb 0.07 -1.58 0.00 0.00 0.13 0.00 0.00 42.46 41.08 1d3n s ILE 27 CO 0.03 -0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 1d3n n GLY 28 N -0.33 2.65 2.71 1.50 0.00 0.15 -1.52 105.19 110.35 1d3n n GLY 28 Ca -0.10 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1d3n n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1d3n n ILE 29 N 0.00 3.54 -1.06 -0.61 5.41 -1.26 -1.29 119.36 124.10 1d3n n ILE 29 Ca 0.00 -5.48 -0.02 0.00 1.00 0.00 0.00 62.75 58.25 1d3n n ILE 29 Cb 0.00 -2.12 -0.01 0.00 -0.71 0.00 0.00 39.64 36.80 1d3n n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1d3n n GLY 30 N 1.18 0.54 3.56 7.39 0.00 -1.24 -4.91 105.19 111.70 1d3n n GLY 30 Ca 0.28 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1d3n n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1d3n s HIS 31 N -2.06 2.81 -0.02 1.61 5.04 -0.58 -4.91 115.29 117.18 1d3n s HIS 31 Ca 0.00 0.28 -0.30 0.00 -1.54 0.00 0.00 55.06 53.50 1d3n s HIS 31 Cb 0.00 -4.14 -0.06 0.00 0.04 0.00 0.00 32.58 28.42 1d3n s HIS 31 CO 0.00 -1.28 1.60 -1.17 -2.34 0.00 0.00 174.74 171.54 1d3n s LEU 32 N 4.09 4.32 -0.09 8.88 2.96 -1.26 -1.28 118.68 136.29 1d3n s LEU 32 Ca 0.37 2.25 -0.11 0.00 -0.22 0.00 0.00 54.13 56.42 1d3n s LEU 32 Cb -0.10 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.77 1d3n s LEU 32 CO 0.24 -0.88 0.51 -0.07 -1.32 0.00 0.00 176.35 174.84 1d3n h LEU 33 N 9.57 0.47 -7.00 -0.68 3.38 -0.41 -3.48 115.31 117.15 1d3n h LEU 33 Ca -0.39 -0.91 0.04 0.00 0.09 0.00 0.00 57.88 56.71 1d3n h LEU 33 Cb 1.18 -0.15 -0.23 0.00 0.09 0.00 0.00 40.66 41.55 1d3n h LEU 33 CO 0.94 1.77 0.44 0.28 0.09 0.00 0.00 178.44 181.96 1d3n s THR 34 N -2.54 0.00 -2.35 0.22 -1.32 -1.11 -4.90 115.64 103.65 1d3n s THR 34 Ca -0.20 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.57 1d3n s THR 34 Cb 0.06 -1.00 0.64 0.00 -1.51 0.00 0.00 72.50 70.69 1d3n s THR 34 CO 0.79 0.00 1.87 0.29 -2.21 0.00 0.00 174.62 175.36 1d3n n LYS 35 N 1.25 1.47 -2.73 7.08 5.02 -1.26 -3.31 118.16 125.68 1d3n n LYS 35 Ca -0.13 -0.69 -0.33 0.00 -2.02 0.00 0.00 58.31 55.15 1d3n n LYS 35 Cb 0.57 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1d3n n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1d3n s SER 36 N -1.98 6.82 0.36 4.39 1.04 -1.26 -4.94 113.70 118.14 1d3n s SER 36 Ca 0.40 1.60 0.27 0.00 0.48 0.00 0.00 55.95 58.70 1d3n s SER 36 Cb 0.21 -2.51 0.96 0.00 0.10 0.00 0.00 66.02 64.78 1d3n s SER 36 CO 0.34 -0.41 1.79 1.55 0.98 0.00 0.00 173.24 177.49 1d3n h PRO 37 N 1.64 0.00 -6.27 4.02 0.13 -1.94 -3.43 132.00 126.15 1d3n h PRO 37 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1d3n h PRO 37 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1d3n h PRO 37 CO 0.62 0.00 0.51 0.45 -0.23 0.00 0.00 178.00 179.35 1d3n s SER 38 N -5.04 7.25 0.35 1.44 0.15 -1.26 -4.89 113.70 111.71 1d3n s SER 38 Ca 0.05 1.53 0.11 0.00 0.70 0.00 0.00 55.95 58.34 1d3n s SER 38 Cb 0.09 -2.55 0.64 0.00 -1.71 0.00 0.00 66.02 62.49 1d3n s SER 38 CO 0.52 -0.40 1.79 0.25 1.20 0.00 0.00 173.24 176.61 1d3n h LEU 39 N 7.76 0.09 -0.37 3.45 5.85 -2.00 -1.93 115.31 128.15 1d3n h LEU 39 Ca -0.33 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.19 1d3n h LEU 39 Cb 1.16 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1d3n h LEU 39 CO 0.83 0.45 -0.47 0.78 -0.34 0.00 0.00 178.44 179.69 1d3n h ASN 40 N 0.07 0.95 -0.45 1.25 2.35 -1.98 -0.05 115.58 117.72 1d3n h ASN 40 Ca 0.01 -0.47 0.05 0.00 -0.55 0.00 0.00 56.30 55.33 1d3n h ASN 40 Cb 0.69 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1d3n h ASN 40 CO 0.05 1.26 0.20 0.00 -1.65 0.00 0.00 177.43 177.29 1d3n h ALA 41 N 0.77 0.56 -0.58 -0.83 0.00 -1.90 0.11 119.26 117.40 1d3n h ALA 41 Ca 0.04 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1d3n h ALA 41 Cb 1.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1d3n h ALA 41 CO 0.11 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.54 1d3n h ALA 42 N 1.27 0.75 -0.33 0.00 0.00 -0.93 0.75 119.26 120.76 1d3n h ALA 42 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1d3n h ALA 42 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1d3n h ALA 42 CO -0.18 0.08 -0.11 0.87 0.00 0.00 0.00 179.25 179.91 1d3n h LYS 43 N 0.70 0.57 -0.41 0.00 1.57 -0.19 0.31 116.57 119.12 1d3n h LYS 43 Ca 0.24 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1d3n h LYS 43 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1d3n h LYS 43 CO -0.10 0.68 -0.11 1.03 -0.57 0.00 0.00 179.45 180.38 1d3n h SER 44 N 0.53 0.80 -0.84 0.86 0.87 -0.03 0.10 113.55 115.83 1d3n h SER 44 Ca 0.10 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1d3n h SER 44 Cb 0.51 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 1d3n h SER 44 CO 0.03 0.98 0.45 -0.33 -0.53 0.00 0.00 176.83 177.43 1d3n h GLU 45 N 0.60 1.19 -0.60 2.24 4.39 -0.19 -1.13 114.58 121.08 1d3n h GLU 45 Ca 0.10 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1d3n h GLU 45 Cb 0.63 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1d3n h GLU 45 CO 0.04 0.88 0.34 1.25 -1.16 0.00 0.00 179.01 180.36 1d3n h LEU 46 N 1.18 0.52 -0.60 1.33 5.85 0.43 -0.31 115.31 123.71 1d3n h LEU 46 Ca 0.30 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.90 1d3n h LEU 46 Cb 0.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1d3n h LEU 46 CO -0.05 0.35 -0.37 0.44 -0.34 0.00 0.00 178.44 178.47 1d3n h ASP 47 N 0.65 0.73 -0.93 1.25 3.32 0.40 -1.54 116.42 120.30 1d3n h ASP 47 Ca 0.26 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1d3n h ASP 47 Cb 0.11 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 1d3n h ASP 47 CO -0.14 1.03 0.60 0.50 -1.72 0.00 0.00 179.24 179.50 1d3n h LYS 48 N 0.57 1.12 0.04 3.56 3.64 -1.12 0.31 116.57 124.70 1d3n h LYS 48 Ca 0.05 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 1d3n h LYS 48 Cb 0.90 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1d3n h LYS 48 CO 0.08 0.74 -1.02 0.00 -2.27 0.00 0.00 179.45 176.98 1d3n h ALA 49 N 1.39 0.32 0.04 5.00 0.00 -0.11 -3.30 119.26 122.60 1d3n h ALA 49 Ca 0.37 -0.78 -0.25 0.00 0.00 0.00 0.00 54.91 54.25 1d3n h ALA 49 Cb 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1d3n h ALA 49 CO -0.13 0.92 -1.28 0.82 0.00 0.00 0.00 179.25 179.58 1d3n h ILE 50 N 0.13 1.40 0.00 0.00 1.08 -1.15 -3.48 117.51 115.49 1d3n h ILE 50 Ca -0.08 -3.11 0.00 0.00 -0.39 0.00 0.00 64.86 61.28 1d3n h ILE 50 Cb 1.69 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 38.20 1d3n h ILE 50 CO 0.17 0.83 0.00 0.61 -0.69 0.00 0.00 178.15 179.07 1d3n n GLY 51 N 1.48 1.14 3.81 5.37 0.00 0.10 -5.06 105.19 112.03 1d3n n GLY 51 Ca -0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 1d3n n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1d3n s ARG 52 N -1.57 1.45 -0.78 1.61 1.70 -0.88 -5.04 118.95 115.44 1d3n s ARG 52 Ca 0.00 -0.86 -0.24 0.00 -0.47 0.00 0.00 55.73 54.16 1d3n s ARG 52 Cb 0.00 0.45 0.06 0.00 -0.57 0.00 0.00 34.95 34.89 1d3n s ARG 52 CO 0.00 -0.67 1.17 1.21 -1.08 0.00 0.00 175.30 175.93 1d3n s ASN 53 N -3.09 6.27 -0.07 -2.89 2.47 -1.26 -4.36 114.94 112.00 1d3n s ASN 53 Ca 0.15 -0.98 0.13 0.00 0.42 0.00 0.00 52.86 52.58 1d3n s ASN 53 Cb -0.03 -2.49 -0.23 0.00 -1.45 0.00 0.00 41.25 37.05 1d3n s ASN 53 CO 0.05 -1.56 0.57 0.35 -3.72 0.00 0.00 177.10 172.79 1d3n n THR 54 N 6.19 1.58 -2.44 -5.21 -2.24 -1.26 -4.98 114.28 105.93 1d3n n THR 54 Ca 0.08 -0.80 -0.19 0.00 -2.27 0.00 0.00 64.05 60.86 1d3n n THR 54 Cb 0.48 -0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1d3n n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1d3n n ASN 55 N -3.02 -5.59 0.00 3.42 5.15 -1.26 -2.88 115.26 111.08 1d3n n ASN 55 Ca -0.20 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1d3n n ASN 55 Cb 1.07 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.71 1d3n n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1d3n n GLY 56 N -1.08 0.75 3.01 8.20 0.00 -1.26 -5.02 105.19 109.79 1d3n n GLY 56 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1d3n n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d3n s VAL 57 N -2.88 0.61 0.35 1.61 1.01 -1.14 -2.22 120.40 117.75 1d3n s VAL 57 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1d3n s VAL 57 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1d3n s VAL 57 CO 0.00 0.15 0.10 0.27 0.00 0.00 0.00 175.10 175.62 1d3n s ILE 58 N -0.24 0.79 0.57 2.22 -4.36 -0.61 -4.78 121.20 114.78 1d3n s ILE 58 Ca 0.02 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 1d3n s ILE 58 Cb -0.03 -2.56 0.06 0.00 1.25 0.00 0.00 42.46 41.17 1d3n s ILE 58 CO -0.00 0.00 0.79 0.42 0.24 0.00 0.00 174.94 176.39 1d3n s THR 59 N -3.35 2.55 0.08 8.37 -4.23 -1.26 -4.83 115.64 112.97 1d3n s THR 59 Ca 0.31 -0.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.86 1d3n s THR 59 Cb 0.06 -2.81 -0.13 0.00 1.34 0.00 0.00 72.50 70.96 1d3n s THR 59 CO 0.15 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.37 1d3n h LYS 60 N 0.05 0.11 -0.73 3.99 3.64 -1.99 -1.45 116.57 120.20 1d3n h LYS 60 Ca -0.39 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1d3n h LYS 60 Cb 1.29 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 1d3n h LYS 60 CO 0.47 0.20 0.35 -0.44 -2.27 0.00 0.00 179.45 177.76 1d3n h ASP 61 N -0.00 0.43 -0.79 4.20 3.45 -1.99 -0.88 116.42 120.84 1d3n h ASP 61 Ca 0.03 0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.56 1d3n h ASP 61 Cb 0.12 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.85 1d3n h ASP 61 CO -0.00 0.23 0.52 -0.33 -1.57 0.00 0.00 179.24 178.09 1d3n h GLU 62 N 0.58 1.04 -0.72 3.56 5.08 -1.81 -0.14 114.58 122.17 1d3n h GLU 62 Ca 0.37 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1d3n h GLU 62 Cb 0.43 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1d3n h GLU 62 CO -0.30 0.70 0.45 0.00 -1.00 0.00 0.00 179.01 178.86 1d3n h ALA 63 N 1.29 0.95 -0.18 3.43 0.00 -0.33 0.47 119.26 124.89 1d3n h ALA 63 Ca 0.29 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1d3n h ALA 63 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1d3n h ALA 63 CO -0.06 0.22 -0.36 0.93 0.00 0.00 0.00 179.25 179.99 1d3n h GLU 64 N 0.87 0.39 -0.10 0.00 5.08 -0.99 0.03 114.58 119.86 1d3n h GLU 64 Ca 0.29 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1d3n h GLU 64 Cb 0.03 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1d3n h GLU 64 CO -0.12 0.69 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.37 1d3n h LYS 65 N 0.33 0.18 -0.86 2.33 3.64 -0.22 -0.51 116.57 121.46 1d3n h LYS 65 Ca 0.04 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1d3n h LYS 65 Cb 0.78 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 1d3n h LYS 65 CO 0.06 0.44 0.51 -0.07 -2.27 0.00 0.00 179.45 178.12 1d3n h LEU 66 N -0.10 0.75 -0.50 5.20 3.38 -0.62 -2.51 115.31 120.92 1d3n h LEU 66 Ca 0.03 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1d3n h LEU 66 Cb 0.36 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1d3n h LEU 66 CO 0.01 0.44 0.02 0.15 0.09 0.00 0.00 178.44 179.15 1d3n h PHE 67 N 0.87 0.93 -0.35 1.13 -0.00 -0.62 0.25 116.94 119.15 1d3n h PHE 67 Ca 0.40 -0.15 0.03 0.00 -0.00 0.00 0.00 57.97 58.25 1d3n h PHE 67 Cb 0.32 -0.25 -0.03 0.00 -0.00 0.00 0.00 35.95 35.99 1d3n h PHE 67 CO -0.05 0.87 0.15 -0.91 -0.00 0.00 0.00 178.31 178.37 1d3n h ASN 68 N 0.73 0.19 -0.34 0.41 2.35 -0.75 0.13 115.58 118.30 1d3n h ASN 68 Ca 0.14 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1d3n h ASN 68 Cb 0.48 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1d3n h ASN 68 CO 0.02 0.15 0.19 1.56 -1.65 0.00 0.00 177.43 177.69 1d3n h GLN 69 N 0.31 0.37 -0.77 0.81 4.20 -1.03 -1.28 115.11 117.72 1d3n h GLN 69 Ca 0.15 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1d3n h GLN 69 Cb 0.10 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1d3n h GLN 69 CO -0.13 0.25 0.30 -0.44 -0.67 0.00 0.00 178.83 178.13 1d3n h ASP 70 N 0.38 1.06 -0.48 1.46 3.32 0.33 0.63 116.42 123.12 1d3n h ASP 70 Ca 0.14 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1d3n h ASP 70 Cb 0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1d3n h ASP 70 CO -0.08 0.95 0.09 0.58 -1.72 0.00 0.00 179.24 179.06 1d3n h VAL 71 N 1.12 1.25 -0.41 -1.35 2.07 -0.54 -1.68 116.25 116.70 1d3n h VAL 71 Ca 0.26 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1d3n h VAL 71 Cb 0.22 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1d3n h VAL 71 CO -0.02 0.32 0.27 -0.78 0.02 0.00 0.00 177.57 177.38 1d3n h ASP 72 N 0.66 0.46 -0.88 0.57 -0.00 -1.01 -1.41 116.42 114.81 1d3n h ASP 72 Ca 0.15 -0.01 0.01 0.00 -0.00 0.00 0.00 57.03 57.17 1d3n h ASP 72 Cb 0.37 -0.11 -0.04 0.00 -0.00 0.00 0.00 39.33 39.55 1d3n h ASP 72 CO 0.01 0.34 0.57 0.00 -0.00 0.00 0.00 179.24 180.16 1d3n h ALA 73 N 1.16 1.12 -0.38 -0.78 0.00 -0.51 -2.48 119.26 117.39 1d3n h ALA 73 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1d3n h ALA 73 Cb -0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.32 1d3n h ALA 73 CO -0.04 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.82 1d3n h ALA 74 N 1.32 0.40 -0.55 0.00 0.00 -0.72 0.36 119.26 120.06 1d3n h ALA 74 Ca 0.32 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1d3n h ALA 74 Cb -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1d3n h ALA 74 CO -0.07 -0.33 0.33 0.28 0.00 0.00 0.00 179.25 179.46 1d3n h VAL 75 N 0.19 1.05 -0.20 0.00 2.07 -0.93 -1.29 116.25 117.15 1d3n h VAL 75 Ca 0.18 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1d3n h VAL 75 Cb 0.22 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1d3n h VAL 75 CO -0.25 0.12 -0.48 0.03 0.02 0.00 0.00 177.57 177.01 1d3n h ARG 76 N 0.65 0.52 -0.59 1.57 3.08 -1.16 0.33 114.38 118.78 1d3n h ARG 76 Ca 0.22 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1d3n h ARG 76 Cb 0.03 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1d3n h ARG 76 CO -0.10 0.88 0.32 0.78 -1.07 0.00 0.00 179.97 180.78 1d3n h GLY 77 N 1.10 0.85 0.67 0.04 0.00 0.24 0.27 103.07 106.24 1d3n h GLY 77 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1d3n h GLY 77 CO 0.09 0.14 -0.07 -2.22 0.00 0.00 0.00 176.54 174.48 1d3n h ILE 78 N 0.61 0.78 0.00 2.60 2.04 -0.21 -2.09 117.51 121.23 1d3n h ILE 78 Ca 0.26 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.10 1d3n h ILE 78 Cb 0.15 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1d3n h ILE 78 CO -0.16 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 177.83 1d3n h LEU 79 N -0.08 0.00 0.00 1.44 3.38 0.62 -1.41 115.31 119.26 1d3n h LEU 79 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1d3n h LEU 79 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1d3n h LEU 79 CO -0.16 0.09 -0.79 0.03 0.09 0.00 0.00 178.44 177.70 1d3n h ARG 80 N 0.00 0.00 -5.88 1.13 3.08 -0.62 -3.44 114.38 108.64 1d3n h ARG 80 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1d3n h ARG 80 Cb 0.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 1d3n h ARG 80 CO 0.01 0.77 0.55 1.21 -1.07 0.00 0.00 179.97 181.43 1d3n s ASN 81 N -6.58 6.85 0.55 7.04 3.84 -0.53 -4.96 114.94 121.15 1d3n s ASN 81 Ca 0.02 1.02 0.23 0.00 0.21 0.00 0.00 52.86 54.35 1d3n s ASN 81 Cb 0.09 -2.46 1.49 0.00 -0.55 0.00 0.00 41.25 39.82 1d3n s ASN 81 CO 0.79 -0.59 2.13 0.00 -2.79 0.00 0.00 177.10 176.63 1d3n h ALA 82 N 7.76 1.97 -0.68 1.71 0.00 -1.88 -0.37 119.26 127.78 1d3n h ALA 82 Ca -0.22 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.28 1d3n h ALA 82 Cb 1.08 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.68 1d3n h ALA 82 CO 0.91 -0.20 0.51 1.63 0.00 0.00 0.00 179.25 182.11 1d3n n LYS 83 N -4.21 1.98 0.00 0.00 4.01 -1.26 -4.59 118.16 114.09 1d3n n LYS 83 Ca 0.01 -2.12 0.00 0.00 -0.51 0.00 0.00 58.31 55.68 1d3n n LYS 83 Cb 0.24 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 1d3n n LYS 83 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1d3n n LYS 85 N -0.40 0.00 0.04 1.97 4.81 -0.15 -4.23 118.16 120.20 1d3n n LYS 85 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1d3n n LYS 85 Cb 0.98 0.00 0.31 0.00 0.02 0.00 0.00 35.03 36.34 1d3n n LYS 85 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1d3n h PRO 86 N 0.00 0.42 -0.03 1.64 0.11 -1.83 0.42 132.00 132.73 1d3n h PRO 86 Ca 0.00 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1d3n h PRO 86 Cb 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1d3n h PRO 86 CO 0.00 0.52 0.00 0.28 -0.21 0.00 0.00 178.00 178.59 1d3n h VAL 87 N 0.40 1.23 -0.89 3.15 2.07 -1.94 -1.76 116.25 118.52 1d3n h VAL 87 Ca 0.08 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1d3n h VAL 87 Cb 0.40 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1d3n h VAL 87 CO 0.02 0.19 0.48 0.22 0.02 0.00 0.00 177.57 178.50 1d3n h TYR 88 N -0.23 1.22 0.00 1.57 5.03 -1.68 -1.86 116.97 121.02 1d3n h TYR 88 Ca 0.01 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 1d3n h TYR 88 Cb 0.30 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 1d3n h TYR 88 CO 0.02 0.85 -0.24 -0.44 -1.32 0.00 0.00 178.16 177.03 1d3n h ASP 89 N 1.24 0.00 0.00 -2.11 3.45 -0.07 -3.45 116.42 115.48 1d3n h ASP 89 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1d3n h ASP 89 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1d3n h ASP 89 CO -0.05 0.24 0.00 -1.54 -1.57 0.00 0.00 179.24 176.32 1d3n n SER 90 N -3.65 0.72 -4.78 6.45 3.41 -0.67 -5.08 113.62 110.02 1d3n n SER 90 Ca -0.01 -1.48 -0.24 0.00 -0.26 0.00 0.00 58.87 56.88 1d3n n SER 90 Cb 0.37 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1d3n n SER 90 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1d3n s ASP 92 N -0.28 4.58 0.27 4.04 1.47 -1.26 -5.08 116.67 120.40 1d3n s ASP 92 Ca 0.00 -1.02 -0.04 0.00 1.18 0.00 0.00 52.55 52.68 1d3n s ASP 92 Cb 0.00 -0.45 0.36 0.00 -0.34 0.00 0.00 42.92 42.49 1d3n s ASP 92 CO 0.00 -0.60 1.92 0.00 0.68 0.00 0.00 175.17 177.18 1d3n h ALA 93 N 1.30 1.36 -0.01 2.11 0.00 -1.97 0.28 119.26 122.33 1d3n h ALA 93 Ca -0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1d3n h ALA 93 Cb 1.26 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1d3n h ALA 93 CO 0.67 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 180.74 1d3n h VAL 94 N 1.24 1.36 -0.40 0.00 2.07 -1.99 -2.73 116.25 115.79 1d3n h VAL 94 Ca 0.38 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1d3n h VAL 94 Cb -0.03 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1d3n h VAL 94 CO -0.11 0.28 0.13 0.03 0.02 0.00 0.00 177.57 177.92 1d3n h ARG 95 N -0.41 0.59 -0.83 1.57 3.08 -1.81 -0.75 114.38 115.81 1d3n h ARG 95 Ca 0.00 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1d3n h ARG 95 Cb 0.47 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1d3n h ARG 95 CO 0.00 0.52 0.54 0.00 -1.07 0.00 0.00 179.97 179.96 1d3n h ARG 96 N 0.58 0.92 -0.55 0.04 3.08 -0.85 -1.43 114.38 116.18 1d3n h ARG 96 Ca 0.14 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1d3n h ARG 96 Cb 0.18 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1d3n h ARG 96 CO -0.01 0.61 0.04 0.00 -1.07 0.00 0.00 179.97 179.55 1d3n h ALA 97 N 1.54 1.05 0.00 0.04 0.00 -0.85 -0.33 119.26 120.71 1d3n h ALA 97 Ca 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1d3n h ALA 97 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1d3n h ALA 97 CO -0.12 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1d3n n ALA 98 N -2.47 1.48 0.00 0.00 0.00 -0.54 -0.77 120.51 118.21 1d3n n ALA 98 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1d3n n ALA 98 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1d3n n ALA 98 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1d3n n ILE 100 N 0.90 0.00 0.00 0.00 5.41 -0.13 -4.74 119.36 120.80 1d3n n ILE 100 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1d3n n ILE 100 Cb 0.02 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 1d3n n ILE 100 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1d3n n ASN 101 N 0.00 0.00 0.00 4.38 2.85 0.05 0.01 115.26 122.55 1d3n n ASN 101 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1d3n n ASN 101 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1d3n n ASN 101 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1d3n n VAL 103 N 0.33 0.00 -0.21 3.44 0.31 -1.26 -1.85 118.33 119.09 1d3n n VAL 103 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1d3n n VAL 103 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 1d3n n VAL 103 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1d3n h PHE 104 N 0.00 0.61 0.00 3.52 3.04 -0.80 0.37 116.94 123.69 1d3n h PHE 104 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1d3n h PHE 104 Cb 0.00 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.32 1d3n h PHE 104 CO 0.00 0.30 0.00 0.94 -2.02 0.00 0.00 178.31 177.53 1d3n n GLN 105 N -4.81 0.97 0.00 1.11 7.27 -0.77 -5.07 117.38 116.08 1d3n n GLN 105 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1d3n n GLN 105 Cb 0.15 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.54 1d3n n GLN 105 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1d3n n GLY 107 N 0.72 1.80 0.36 1.69 0.00 0.13 -5.12 105.19 104.76 1d3n n GLY 107 Ca 0.12 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.88 1d3n n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1d3n h GLU 108 N 0.00 0.62 0.78 1.61 4.81 -1.98 0.23 114.58 120.64 1d3n h GLU 108 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1d3n h GLU 108 Cb 0.00 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.25 1d3n h GLU 108 CO 0.00 0.41 -0.37 1.15 -0.73 0.00 0.00 179.01 179.46 1d3n h THR 109 N 0.63 0.03 -0.30 0.32 2.02 -1.98 0.91 112.91 114.54 1d3n h THR 109 Ca 0.61 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.63 1d3n h THR 109 Cb 1.12 0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 1d3n h THR 109 CO -0.41 0.00 -0.41 1.23 0.37 0.00 0.00 175.52 176.31 1d3n h GLY 110 N -1.27 -0.56 2.00 2.16 0.00 -1.59 0.35 103.07 104.16 1d3n h GLY 110 Ca -0.11 0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1d3n h GLY 110 CO 0.18 -0.20 -0.01 -2.08 0.00 0.00 0.00 176.54 174.42 1d3n h VAL 111 N -0.37 0.07 0.00 4.60 2.07 -0.59 -1.96 116.25 120.06 1d3n h VAL 111 Ca 0.12 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1d3n h VAL 111 Cb 0.59 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1d3n h VAL 111 CO -0.50 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.10 1d3n h ALA 112 N 1.99 1.00 0.00 1.67 0.00 0.14 -2.92 119.26 121.14 1d3n h ALA 112 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d3n h ALA 112 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1d3n h ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1d3n n GLY 113 N -0.03 -0.90 2.33 0.00 0.00 -0.74 -3.42 105.19 102.43 1d3n n GLY 113 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1d3n n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d3n n PHE 114 N -1.18 2.65 -0.16 1.61 3.72 -1.10 -4.65 117.46 118.35 1d3n n PHE 114 Ca 0.13 -2.58 -0.02 0.00 -0.05 0.00 0.00 57.45 54.93 1d3n n PHE 114 Cb 0.14 -1.29 0.07 0.00 -0.94 0.00 0.00 39.48 37.46 1d3n n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1d3n h THR 115 N 1.24 0.74 -0.51 4.37 2.02 -1.82 -2.60 112.91 116.34 1d3n h THR 115 Ca 0.51 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.54 1d3n h THR 115 Cb 0.71 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1d3n h THR 115 CO 1.31 0.05 0.06 0.78 0.37 0.00 0.00 175.52 178.09 1d3n h ASN 116 N 0.25 0.83 0.00 4.18 2.35 -1.93 -2.43 115.58 118.83 1d3n h ASN 116 Ca 0.25 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1d3n h ASN 116 Cb 0.32 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1d3n h ASN 116 CO -0.31 0.89 0.00 -1.20 -1.65 0.00 0.00 177.43 175.16 1d3n n SER 117 N -4.38 0.36 -1.86 5.81 7.64 -0.98 -5.03 113.62 115.18 1d3n n SER 117 Ca 0.01 -0.28 -0.11 0.00 1.01 0.00 0.00 58.87 59.50 1d3n n SER 117 Cb 0.27 -0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.42 1d3n n SER 117 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1d3n n ARG 119 N 0.99 -0.55 0.00 1.43 0.63 -0.92 -4.86 116.66 113.38 1d3n n ARG 119 Ca 0.00 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1d3n n ARG 119 Cb 0.06 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.38 1d3n n ARG 119 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1d3n n GLN 122 N -0.17 0.00 -0.05 -0.14 7.27 -1.26 -4.59 117.38 118.44 1d3n n GLN 122 Ca -0.03 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.12 1d3n n GLN 122 Cb 0.20 0.00 0.40 0.00 2.41 0.00 0.00 30.24 33.25 1d3n n GLN 122 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1d3n n GLN 123 N 0.00 1.39 -2.62 3.69 6.02 -1.26 -4.90 117.38 119.69 1d3n n GLN 123 Ca 0.00 -0.58 -0.17 0.00 -0.01 0.00 0.00 57.00 56.24 1d3n n GLN 123 Cb 0.00 -1.31 0.01 0.00 1.02 0.00 0.00 30.24 29.96 1d3n n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1d3n n LYS 124 N -0.17 -2.76 -3.02 -1.09 5.02 -1.26 -4.92 118.16 109.96 1d3n n LYS 124 Ca 0.14 0.74 -0.44 0.00 -2.02 0.00 0.00 58.31 56.72 1d3n n LYS 124 Cb 0.19 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 1d3n n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1d3n n ARG 125 N -2.98 3.73 0.19 1.97 1.74 -1.26 -4.87 116.66 115.17 1d3n n ARG 125 Ca -0.13 -4.20 -0.15 0.00 -0.77 0.00 0.00 57.85 52.61 1d3n n ARG 125 Cb 0.62 -2.72 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 1d3n n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1d3n h TRP 126 N 6.36 -0.83 -0.16 -1.55 4.06 -1.91 -0.53 115.95 121.39 1d3n h TRP 126 Ca 0.25 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.16 1d3n h TRP 126 Cb 0.78 0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 29.25 1d3n h TRP 126 CO 0.97 -0.44 -0.13 -0.44 -3.56 0.00 0.00 178.44 174.84 1d3n h ASP 127 N -0.62 0.25 -0.06 -3.49 5.19 -1.89 -1.70 116.42 114.08 1d3n h ASP 127 Ca -0.01 -0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 56.17 1d3n h ASP 127 Cb 0.58 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1d3n h ASP 127 CO -0.08 0.41 -0.66 -0.33 -3.12 0.00 0.00 179.24 175.45 1d3n h GLU 128 N 0.25 0.56 -0.71 3.56 5.08 -1.93 -2.56 114.58 118.83 1d3n h GLU 128 Ca 0.05 -0.52 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1d3n h GLU 128 Cb 0.39 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1d3n h GLU 128 CO 0.02 1.15 0.47 0.00 -1.00 0.00 0.00 179.01 179.64 1d3n h ALA 129 N 0.43 1.65 -0.51 3.43 0.00 -0.95 -0.73 119.26 122.58 1d3n h ALA 129 Ca -0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1d3n h ALA 129 Cb 1.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1d3n h ALA 129 CO 0.13 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.57 1d3n h ALA 130 N 1.60 0.89 -0.42 0.00 0.00 -1.00 0.51 119.26 120.85 1d3n h ALA 130 Ca 0.29 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1d3n h ALA 130 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1d3n h ALA 130 CO -0.09 0.64 -0.26 0.28 0.00 0.00 0.00 179.25 179.82 1d3n h VAL 131 N 0.84 1.27 -0.70 0.00 2.07 -1.07 -2.79 116.25 115.88 1d3n h VAL 131 Ca 0.14 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1d3n h VAL 131 Cb 0.60 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1d3n h VAL 131 CO 0.04 0.48 0.43 -1.13 0.02 0.00 0.00 177.57 177.41 1d3n h ASN 132 N 0.74 0.82 0.05 0.57 -0.73 -0.21 -2.45 115.58 114.39 1d3n h ASN 132 Ca 0.09 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 1d3n h ASN 132 Cb 0.84 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.22 1d3n h ASN 132 CO 0.07 0.63 -0.05 -0.07 -0.37 0.00 0.00 177.43 177.64 1d3n h LEU 133 N 0.95 0.00 -1.06 0.34 3.38 0.18 -2.61 115.31 116.49 1d3n h LEU 133 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1d3n h LEU 133 Cb -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1d3n h LEU 133 CO -0.05 0.05 -0.08 0.00 0.09 0.00 0.00 178.44 178.45 1d3n h ALA 134 N 1.95 1.00 -0.43 1.53 0.00 -1.17 -3.34 119.26 118.79 1d3n h ALA 134 Ca -0.00 -0.07 -0.73 0.00 0.00 0.00 0.00 54.91 54.11 1d3n h ALA 134 Cb 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1d3n h ALA 134 CO 0.01 0.10 2.63 1.63 0.00 0.00 0.00 179.25 183.61 1d3n n LYS 135 N -3.18 3.19 -3.66 0.00 5.02 -0.98 -4.69 118.16 113.85 1d3n n LYS 135 Ca 0.01 -3.02 -0.15 0.00 -2.02 0.00 0.00 58.31 53.13 1d3n n LYS 135 Cb 0.39 -3.14 -0.08 0.00 -0.02 0.00 0.00 35.03 32.19 1d3n n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1d3n s SER 136 N 2.26 -0.43 0.37 4.39 1.04 -1.26 -5.01 113.70 115.07 1d3n s SER 136 Ca 0.44 0.48 0.08 0.00 0.48 0.00 0.00 55.95 57.43 1d3n s SER 136 Cb 0.12 0.52 0.79 0.00 0.10 0.00 0.00 66.02 67.55 1d3n s SER 136 CO -0.04 -0.47 1.94 -0.09 0.98 0.00 0.00 173.24 175.56 1d3n h ARG 137 N 3.77 0.68 -0.35 4.02 2.43 -1.92 -1.65 114.38 121.35 1d3n h ARG 137 Ca -0.28 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1d3n h ARG 137 Cb 1.16 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.47 1d3n h ARG 137 CO 0.36 0.45 -0.30 2.35 -1.51 0.00 0.00 179.97 181.32 1d3n h TRP 138 N 0.70 -0.82 -0.52 2.20 7.01 -1.94 0.64 115.95 123.21 1d3n h TRP 138 Ca 0.33 0.05 -0.11 0.00 2.11 0.00 0.00 58.89 61.27 1d3n h TRP 138 Cb 0.39 0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 1d3n h TRP 138 CO -0.00 -0.37 -0.11 -0.92 -2.79 0.00 0.00 178.44 174.25 1d3n h TYR 139 N -0.25 1.13 0.00 2.65 3.20 -1.62 -1.51 116.97 120.57 1d3n h TYR 139 Ca 0.16 -0.24 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 1d3n h TYR 139 Cb 0.52 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1d3n h TYR 139 CO -0.50 1.05 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.91 1d3n h ASN 140 N 0.87 0.00 0.14 -2.11 4.21 -0.28 -2.56 115.58 115.86 1d3n h ASN 140 Ca 0.13 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.30 1d3n h ASN 140 Cb 0.68 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 1d3n h ASN 140 CO 0.05 0.26 -1.81 1.56 -1.29 0.00 0.00 177.43 176.20 1d3n h GLN 141 N 0.00 0.30 -2.30 0.81 1.08 0.52 -3.41 115.11 112.10 1d3n h GLN 141 Ca -0.00 -0.51 -0.59 0.00 -1.45 0.00 0.00 58.65 56.09 1d3n h GLN 141 Cb 0.48 0.19 -0.41 0.00 -0.05 0.00 0.00 27.48 27.69 1d3n h GLN 141 CO 0.03 1.25 -0.71 0.25 -0.95 0.00 0.00 178.83 178.70 1d3n n THR 142 N -3.62 1.45 -0.14 -0.54 -2.24 -0.59 -4.97 114.28 103.62 1d3n n THR 142 Ca -0.29 -4.83 -0.09 0.00 -2.27 0.00 0.00 64.05 56.57 1d3n n THR 142 Cb 1.03 -2.06 -0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1d3n n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1d3n h PRO 143 N 4.41 0.62 -0.38 -0.78 0.13 -1.67 -1.05 132.00 133.27 1d3n h PRO 143 Ca 0.17 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1d3n h PRO 143 Cb 0.73 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 1d3n h PRO 143 CO 0.72 0.58 0.16 -0.91 -0.23 0.00 0.00 178.00 178.32 1d3n h ASN 144 N 0.52 0.52 0.03 1.44 2.35 -1.93 -0.31 115.58 118.20 1d3n h ASN 144 Ca 0.14 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1d3n h ASN 144 Cb 0.20 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1d3n h ASN 144 CO -0.01 0.53 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.19 1d3n h ARG 145 N 0.47 -0.06 -0.50 0.81 2.43 -1.97 -1.03 114.38 114.55 1d3n h ARG 145 Ca 0.13 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1d3n h ARG 145 Cb 0.17 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 1d3n h ARG 145 CO -0.01 -0.04 0.08 0.00 -1.51 0.00 0.00 179.97 178.49 1d3n h ALA 146 N 0.91 0.54 -0.33 2.80 0.00 -1.06 -0.46 119.26 121.66 1d3n h ALA 146 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1d3n h ALA 146 Cb 0.06 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1d3n h ALA 146 CO -0.01 -0.33 -0.03 0.87 0.00 0.00 0.00 179.25 179.75 1d3n h LYS 147 N 0.21 0.05 -0.51 0.00 1.57 -0.83 0.24 116.57 117.30 1d3n h LYS 147 Ca 0.25 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1d3n h LYS 147 Cb 0.35 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1d3n h LYS 147 CO -0.35 0.04 0.33 0.00 -0.57 0.00 0.00 179.45 178.90 1d3n h ARG 148 N 0.05 0.66 -0.34 3.15 3.08 0.23 -1.92 114.38 119.30 1d3n h ARG 148 Ca 0.16 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1d3n h ARG 148 Cb 0.23 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1d3n h ARG 148 CO -0.30 0.44 0.10 0.28 -1.07 0.00 0.00 179.97 179.42 1d3n h VAL 149 N 0.68 0.88 -0.64 2.04 2.07 -0.52 -2.12 116.25 118.65 1d3n h VAL 149 Ca 0.19 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1d3n h VAL 149 Cb -0.07 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1d3n h VAL 149 CO -0.05 0.04 0.23 0.40 0.02 0.00 0.00 177.57 178.22 1d3n h ILE 150 N 0.24 1.24 -0.64 4.57 2.04 -0.35 -1.20 117.51 123.41 1d3n h ILE 150 Ca 0.15 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1d3n h ILE 150 Cb 0.14 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1d3n h ILE 150 CO -0.17 0.31 0.20 0.74 0.00 0.00 0.00 178.15 179.23 1d3n h THR 151 N 0.91 1.24 -0.48 -0.27 2.02 -1.31 0.68 112.91 115.70 1d3n h THR 151 Ca 0.21 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.58 1d3n h THR 151 Cb 0.24 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1d3n h THR 151 CO -0.01 0.32 0.30 0.74 0.37 0.00 0.00 175.52 177.24 1d3n h THR 152 N 0.95 1.10 -0.20 3.16 2.02 -0.64 0.87 112.91 120.17 1d3n h THR 152 Ca 0.21 -0.21 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 1d3n h THR 152 Cb 0.27 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1d3n h THR 152 CO -0.01 0.11 -0.60 -0.26 0.37 0.00 0.00 175.52 175.13 1d3n h PHE 153 N 0.62 0.86 -0.76 3.16 0.05 -0.31 0.47 116.94 121.03 1d3n h PHE 153 Ca 0.18 -0.33 -0.05 0.00 3.82 0.00 0.00 57.97 61.60 1d3n h PHE 153 Cb -0.04 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 37.72 1d3n h PHE 153 CO -0.05 1.11 0.28 -0.09 -0.18 0.00 0.00 178.31 179.38 1d3n h ARG 154 N 0.50 1.15 0.00 1.51 2.43 0.75 -3.35 114.38 117.37 1d3n h ARG 154 Ca -0.00 -0.22 -0.28 0.00 -0.81 0.00 0.00 59.98 58.67 1d3n h ARG 154 Cb 1.18 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 1d3n h ARG 154 CO 0.12 0.94 -2.22 0.25 -1.51 0.00 0.00 179.97 177.55 1d3n n THR 155 N -4.27 1.12 -1.10 0.20 -2.24 0.30 -4.79 114.28 103.50 1d3n n THR 155 Ca 0.07 -0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 61.04 1d3n n THR 155 Cb 0.20 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 1d3n n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d3n n GLY 156 N 1.62 0.59 3.48 3.38 0.00 0.16 -4.99 105.19 109.44 1d3n n GLY 156 Ca -0.25 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1d3n n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d3n s THR 157 N -1.90 1.85 -0.71 2.61 -4.23 -1.26 -4.78 115.64 107.21 1d3n s THR 157 Ca 0.00 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 58.46 1d3n s THR 157 Cb 0.00 -2.58 0.47 0.00 1.34 0.00 0.00 72.50 71.72 1d3n s THR 157 CO 0.00 -0.22 1.23 0.79 -0.54 0.00 0.00 174.62 175.88 1d3n n TRP 158 N -0.69 1.15 -0.34 3.99 7.02 -1.26 -4.61 117.44 122.69 1d3n n TRP 158 Ca -0.05 -0.41 0.07 0.00 -1.02 0.00 0.00 57.50 56.09 1d3n n TRP 158 Cb 0.64 -0.31 0.23 0.00 -2.42 0.00 0.00 31.31 29.46 1d3n n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1d3n h ASP 159 N 2.34 0.79 0.28 -0.99 3.45 -1.96 0.97 116.42 121.30 1d3n h ASP 159 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1d3n h ASP 159 Cb 1.28 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1d3n h ASP 159 CO 0.26 0.40 0.00 0.00 -1.57 0.00 0.00 179.24 178.32 1d3n n ALA 160 N -2.36 1.31 0.43 3.45 0.00 -1.26 -2.12 120.51 119.95 1d3n n ALA 160 Ca 0.18 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.72 1d3n n ALA 160 Cb 0.38 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1d3n n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1d3n n TYR 161 N -1.85 0.00 1.33 0.00 4.01 0.30 -4.97 117.16 115.97 1d3n n TYR 161 Ca 0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.88 1d3n n TYR 161 Cb 0.10 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.51 1d3n n TYR 161 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03