#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o4w s VAL 11 N 0.00 4.30 -0.07 3.15 1.01 -1.26 -5.03 120.40 122.50 1o4w s VAL 11 Ca 0.00 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.45 1o4w s VAL 11 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1o4w s VAL 11 CO 0.00 -0.37 0.12 -0.13 0.00 0.00 0.00 175.10 174.72 1o4w s ARG 12 N 3.81 3.31 0.15 2.72 1.81 -1.26 -5.00 118.95 124.49 1o4w s ARG 12 Ca 0.52 -0.27 0.11 0.00 -1.72 0.00 0.00 55.73 54.37 1o4w s ARG 12 Cb -0.17 -3.06 -0.04 0.00 -0.45 0.00 0.00 34.95 31.23 1o4w s ARG 12 CO 0.18 0.73 -0.25 0.00 -0.68 0.00 0.00 175.30 175.28 1o4w s ALA 14 N -1.35 1.17 -0.22 0.00 0.00 0.03 -2.15 121.76 119.24 1o4w s ALA 14 Ca 0.16 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1o4w s ALA 14 Cb -0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1o4w s ALA 14 CO 0.07 0.18 0.33 0.08 0.00 0.00 0.00 175.76 176.43 1o4w s VAL 15 N 0.23 5.24 -0.18 0.00 1.01 -0.05 -0.88 120.40 125.76 1o4w s VAL 15 Ca -0.05 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 1o4w s VAL 15 Cb -0.11 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1o4w s VAL 15 CO 0.02 0.27 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 1o4w s VAL 16 N 1.33 2.40 0.26 2.92 1.01 -1.16 -0.85 120.40 126.31 1o4w s VAL 16 Ca 0.15 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1o4w s VAL 16 Cb -0.15 -2.03 -0.13 0.00 0.00 0.00 0.00 36.38 34.08 1o4w s VAL 16 CO 0.07 0.51 1.45 -0.67 0.00 0.00 0.00 175.10 176.47 1o4w n ASP 17 N 4.57 3.05 0.27 3.32 -0.08 -0.25 -4.89 116.55 122.53 1o4w n ASP 17 Ca -0.20 1.15 0.11 0.00 -1.51 0.00 0.00 54.79 54.34 1o4w n ASP 17 Cb 0.50 -1.48 0.74 0.00 2.34 0.00 0.00 41.12 43.23 1o4w n ASP 17 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1o4w h THR 18 N 3.10 0.73 -0.36 5.18 1.35 -1.95 -1.65 112.91 119.32 1o4w h THR 18 Ca -0.46 -0.29 -0.08 0.00 -0.55 0.00 0.00 66.41 65.04 1o4w h THR 18 Cb 1.26 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 1o4w h THR 18 CO 0.76 0.07 -0.10 0.78 -0.25 0.00 0.00 175.52 176.78 1o4w h ASN 19 N 0.00 0.60 -0.52 5.36 2.35 -1.96 -2.58 115.58 118.82 1o4w h ASN 19 Ca -0.00 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1o4w h ASN 19 Cb 0.16 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1o4w h ASN 19 CO 0.01 0.74 0.16 0.58 -1.65 0.00 0.00 177.43 177.26 1o4w h VAL 20 N 0.57 1.23 0.00 2.81 2.07 -1.65 -3.19 116.25 118.08 1o4w h VAL 20 Ca 0.10 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1o4w h VAL 20 Cb 0.51 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1o4w h VAL 20 CO 0.03 0.29 0.03 0.18 0.02 0.00 0.00 177.57 178.12 1o4w n LEU 21 N -4.47 1.23 0.00 2.57 4.77 -0.98 -3.46 117.00 116.66 1o4w n LEU 21 Ca 0.02 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1o4w n LEU 21 Cb 0.20 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1o4w n LEU 21 CO 0.39 0.21 0.00 -1.22 -1.33 0.00 0.00 177.39 175.44 1o4w n TYR 23 N 1.98 0.00 0.25 -1.77 4.02 -1.21 -3.91 117.16 116.52 1o4w n TYR 23 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.74 1o4w n TYR 23 Cb 0.12 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.37 1o4w n TYR 23 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1o4w h VAL 24 N 0.00 0.45 -0.17 -0.72 2.07 -1.74 -0.54 116.25 115.60 1o4w h VAL 24 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1o4w h VAL 24 Cb 0.00 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1o4w h VAL 24 CO 0.00 0.00 -0.02 0.22 0.02 0.00 0.00 177.57 177.79 1o4w h TYR 25 N -0.66 0.35 0.00 1.57 3.20 -1.87 -1.32 116.97 118.25 1o4w h TYR 25 Ca -0.05 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.63 1o4w h TYR 25 Cb 0.54 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1o4w h TYR 25 CO -0.10 0.56 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.34 1o4w h LEU 26 N 0.05 0.00 -2.81 2.82 3.38 -1.87 -3.27 115.31 113.61 1o4w h LEU 26 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1o4w h LEU 26 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1o4w h LEU 26 CO 0.01 0.57 -0.01 0.59 0.09 0.00 0.00 178.44 179.70 1o4w n ASN 27 N -3.67 1.84 -3.99 -0.43 3.02 -0.22 -5.02 115.26 106.80 1o4w n ASN 27 Ca -0.01 -2.07 -0.30 0.00 -0.03 0.00 0.00 54.58 52.17 1o4w n ASN 27 Cb 0.61 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1o4w n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1o4w n LYS 28 N -0.58 -4.50 -3.64 3.52 4.01 -0.51 -4.95 118.16 111.52 1o4w n LYS 28 Ca 0.02 0.51 -0.38 0.00 -0.51 0.00 0.00 58.31 57.95 1o4w n LYS 28 Cb 0.33 -5.22 -0.11 0.00 -0.51 0.00 0.00 35.03 29.52 1o4w n LYS 28 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1o4w s ALA 29 N -3.42 3.36 -1.33 7.82 0.00 -1.15 -5.02 121.76 122.02 1o4w s ALA 29 Ca 0.53 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 1o4w s ALA 29 Cb -0.27 -2.38 0.09 0.00 0.00 0.00 0.00 23.12 20.56 1o4w s ALA 29 CO 0.86 -0.70 1.85 -3.47 0.00 0.00 0.00 175.76 174.31 1o4w n ASP 30 N 5.01 4.70 -0.23 0.00 2.03 -1.26 -4.28 116.55 122.52 1o4w n ASP 30 Ca -0.14 -2.94 -0.04 0.00 0.52 0.00 0.00 54.79 52.19 1o4w n ASP 30 Cb 0.51 -1.65 0.06 0.00 -0.72 0.00 0.00 41.12 39.32 1o4w n ASP 30 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1o4w h VAL 31 N 4.65 1.11 -0.17 5.18 2.07 -1.95 -0.75 116.25 126.38 1o4w h VAL 31 Ca 0.45 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 1o4w h VAL 31 Cb 0.76 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1o4w h VAL 31 CO 1.58 0.15 -0.04 0.58 0.02 0.00 0.00 177.57 179.86 1o4w h VAL 32 N 0.82 1.29 -0.96 2.57 2.07 -2.00 -1.04 116.25 119.00 1o4w h VAL 32 Ca 0.26 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1o4w h VAL 32 Cb -0.02 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1o4w h VAL 32 CO -0.09 0.30 0.63 1.23 0.02 0.00 0.00 177.57 179.66 1o4w h GLY 33 N 0.03 1.41 1.07 2.17 0.00 -1.93 -0.49 103.07 105.34 1o4w h GLY 33 Ca 0.04 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1o4w h GLY 33 CO 0.02 0.40 0.19 1.46 0.00 0.00 0.00 176.54 178.61 1o4w h GLN 34 N 1.21 1.15 -0.64 4.80 4.20 -1.00 -2.29 115.11 122.54 1o4w h GLN 34 Ca 0.38 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1o4w h GLN 34 Cb 0.01 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1o4w h GLN 34 CO -0.13 1.00 0.10 -0.07 -0.67 0.00 0.00 178.83 179.07 1o4w h LEU 35 N 1.10 1.02 -1.15 1.46 3.38 -0.71 -2.73 115.31 117.67 1o4w h LEU 35 Ca 0.23 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1o4w h LEU 35 Cb 0.36 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1o4w h LEU 35 CO -0.00 1.02 0.59 0.03 0.09 0.00 0.00 178.44 180.17 1o4w h ARG 36 N 0.98 0.97 -0.56 1.13 3.08 -0.88 -2.10 114.38 116.99 1o4w h ARG 36 Ca 0.19 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1o4w h ARG 36 Cb 0.44 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1o4w h ARG 36 CO 0.01 0.64 0.37 0.93 -1.07 0.00 0.00 179.97 180.86 1o4w h GLU 37 N 1.00 0.70 -0.00 0.04 5.08 -1.10 -0.51 114.58 119.79 1o4w h GLU 37 Ca 0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1o4w h GLU 37 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1o4w h GLU 37 CO -0.15 0.46 -0.00 1.19 -1.00 0.00 0.00 179.01 179.50 1o4w n PHE 38 N -4.46 0.00 0.00 4.33 3.72 -0.84 -4.91 117.46 115.30 1o4w n PHE 38 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1o4w n PHE 38 Cb 0.08 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1o4w n PHE 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o4w n GLY 39 N 1.09 1.00 3.64 1.37 0.00 -0.20 -5.08 105.19 107.02 1o4w n GLY 39 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1o4w n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1o4w s PHE 40 N -2.00 3.32 0.00 1.61 0.08 -0.91 -4.20 117.98 115.88 1o4w s PHE 40 Ca 0.00 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.86 1o4w s PHE 40 Cb 0.00 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.67 1o4w s PHE 40 CO 0.00 -0.24 0.31 -1.13 -0.10 0.00 0.00 175.22 174.06 1o4w n SER 41 N 5.35 0.63 -4.24 1.36 3.41 -0.49 -3.55 113.62 116.09 1o4w n SER 41 Ca -0.02 -0.85 -0.31 0.00 -0.26 0.00 0.00 58.87 57.43 1o4w n SER 41 Cb 0.49 0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.50 1o4w n SER 41 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1o4w s ARG 42 N -0.22 2.73 -0.11 4.33 0.52 -1.05 -5.04 118.95 120.10 1o4w s ARG 42 Ca 0.00 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.35 1o4w s ARG 42 Cb 0.00 -2.19 0.01 0.00 0.52 0.00 0.00 34.95 33.30 1o4w s ARG 42 CO 0.00 0.28 -0.17 -0.06 0.02 0.00 0.00 175.30 175.37 1o4w s PHE 43 N 0.08 2.15 0.02 -0.53 0.08 -1.26 -0.79 117.98 117.72 1o4w s PHE 43 Ca -0.10 -1.02 0.09 0.00 0.12 0.00 0.00 56.93 56.01 1o4w s PHE 43 Cb -0.16 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1o4w s PHE 43 CO 0.06 -0.50 -0.26 -0.51 -0.10 0.00 0.00 175.22 173.91 1o4w s LEU 44 N 0.90 2.12 0.11 -0.37 1.02 -0.06 0.09 118.68 122.49 1o4w s LEU 44 Ca -0.08 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.57 1o4w s LEU 44 Cb -0.15 -1.31 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 1o4w s LEU 44 CO -0.01 0.29 -0.08 -0.51 0.02 0.00 0.00 176.35 176.06 1o4w s ILE 45 N -0.72 0.88 0.29 -0.59 1.10 -0.05 -2.99 121.20 119.12 1o4w s ILE 45 Ca 0.11 -1.90 -0.07 0.00 -0.51 0.00 0.00 60.65 58.28 1o4w s ILE 45 Cb -0.10 -1.65 -0.06 0.00 0.15 0.00 0.00 42.46 40.80 1o4w s ILE 45 CO 0.01 -0.77 0.59 0.42 -2.11 0.00 0.00 174.94 173.07 1o4w s THR 46 N -3.28 4.96 0.26 4.00 -4.23 -1.26 -0.89 115.64 115.20 1o4w s THR 46 Ca 0.12 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1o4w s THR 46 Cb 0.03 -3.71 0.25 0.00 1.34 0.00 0.00 72.50 70.41 1o4w s THR 46 CO -0.02 -0.30 1.86 0.00 -0.54 0.00 0.00 174.62 175.62 1o4w h ALA 47 N 1.81 1.33 0.13 3.99 0.00 -1.49 -1.62 119.26 123.42 1o4w h ALA 47 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1o4w h ALA 47 Cb 1.18 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1o4w h ALA 47 CO 0.66 0.34 -0.06 1.03 0.00 0.00 0.00 179.25 181.22 1o4w h SER 48 N 1.06 -0.15 -0.39 0.00 0.87 -1.91 -1.54 113.55 111.49 1o4w h SER 48 Ca 0.42 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.79 1o4w h SER 48 Cb 0.23 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1o4w h SER 48 CO -0.19 -0.02 -0.20 0.58 -0.53 0.00 0.00 176.83 176.46 1o4w h VAL 49 N -0.26 1.27 -0.45 2.23 2.07 -1.80 -0.03 116.25 119.28 1o4w h VAL 49 Ca -0.02 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.19 1o4w h VAL 49 Cb 0.21 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1o4w h VAL 49 CO 0.03 0.46 0.26 0.50 0.02 0.00 0.00 177.57 178.83 1o4w h LYS 50 N 0.77 0.50 -0.75 1.57 3.64 -1.28 -1.02 116.57 120.01 1o4w h LYS 50 Ca 0.11 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1o4w h LYS 50 Cb 0.74 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1o4w h LYS 50 CO 0.06 0.33 0.24 -0.09 -2.27 0.00 0.00 179.45 177.72 1o4w h ARG 51 N 0.52 1.17 -0.79 1.90 9.65 -0.92 -1.09 114.38 124.81 1o4w h ARG 51 Ca 0.18 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1o4w h ARG 51 Cb 0.03 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.40 1o4w h ARG 51 CO -0.09 0.99 0.46 0.93 2.80 0.00 0.00 179.97 185.06 1o4w h GLU 52 N 1.12 1.08 -0.44 0.20 4.39 -0.72 -1.48 114.58 118.74 1o4w h GLU 52 Ca 0.24 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.69 1o4w h GLU 52 Cb 0.30 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1o4w h GLU 52 CO -0.01 0.78 -0.30 1.25 -1.16 0.00 0.00 179.01 179.56 1o4w h LEU 53 N 1.10 1.02 -1.05 1.33 5.85 -0.64 -0.39 115.31 122.53 1o4w h LEU 53 Ca 0.28 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1o4w h LEU 53 Cb -0.01 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 1o4w h LEU 53 CO -0.05 1.24 0.64 -0.33 -0.34 0.00 0.00 178.44 179.60 1o4w h GLU 54 N 0.82 1.21 -0.11 1.25 5.08 -0.85 -0.15 114.58 121.83 1o4w h GLU 54 Ca 0.09 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1o4w h GLU 54 Cb 0.89 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1o4w h GLU 54 CO 0.08 0.80 -0.09 0.87 -1.00 0.00 0.00 179.01 179.67 1o4w h LYS 55 N 1.25 0.26 -0.62 2.33 1.57 -1.07 -3.23 116.57 117.06 1o4w h LYS 55 Ca 0.38 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 1o4w h LYS 55 Cb -0.02 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 1o4w h LYS 55 CO -0.11 0.66 0.28 1.25 -0.57 0.00 0.00 179.45 180.96 1o4w h LEU 56 N -0.13 0.35 -3.33 2.94 5.85 -0.83 -3.24 115.31 116.92 1o4w h LEU 56 Ca 0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1o4w h LEU 56 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1o4w h LEU 56 CO 0.02 0.22 0.00 1.21 -0.34 0.00 0.00 178.44 179.55 1o4w n GLU 57 N -4.91 0.00 0.00 1.25 0.00 -0.09 -1.75 120.64 115.13 1o4w n GLU 57 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1o4w n GLU 57 Cb 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.44 1o4w n GLU 57 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1o4w n SER 59 N 1.33 0.00 -4.88 4.31 7.64 -1.23 -4.82 113.62 115.98 1o4w n SER 59 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1o4w n SER 59 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1o4w n SER 59 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1o4w s LEU 60 N 0.00 3.00 0.11 -3.43 1.43 -0.72 -5.09 118.68 113.98 1o4w s LEU 60 Ca 0.00 1.22 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1o4w s LEU 60 Cb 0.00 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 1o4w s LEU 60 CO 0.00 -1.21 -0.04 -0.13 0.23 0.00 0.00 176.35 175.21 1o4w s ARG 61 N -5.30 0.87 5.15 1.70 0.52 -1.26 -4.67 118.95 115.95 1o4w s ARG 61 Ca 0.57 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 1o4w s ARG 61 Cb -0.11 -0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.24 1o4w s ARG 61 CO 0.52 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.18 1o4w n GLY 62 N -0.07 2.51 0.21 -3.53 0.00 -1.26 -2.21 105.19 100.84 1o4w n GLY 62 Ca -0.11 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1o4w n GLY 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o4w h LYS 63 N 0.00 0.00 -0.69 1.61 2.10 -1.99 -1.83 116.57 115.77 1o4w h LYS 63 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1o4w h LYS 63 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1o4w h LYS 63 CO 0.00 0.25 0.25 0.93 -2.00 0.00 0.00 179.45 178.88 1o4w h GLU 64 N 0.00 1.03 -0.60 0.07 5.08 -1.92 -0.06 114.58 118.18 1o4w h GLU 64 Ca -0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1o4w h GLU 64 Cb 0.48 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1o4w h GLU 64 CO 0.03 0.86 0.20 -0.22 -1.00 0.00 0.00 179.01 178.88 1o4w h LYS 65 N 1.00 0.93 -0.72 2.33 3.64 -0.86 -1.04 116.57 121.85 1o4w h LYS 65 Ca 0.23 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1o4w h LYS 65 Cb 0.24 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1o4w h LYS 65 CO -0.01 0.82 0.24 0.28 -2.27 0.00 0.00 179.45 178.50 1o4w h VAL 66 N 0.85 1.26 -0.69 2.00 2.07 -1.05 -1.76 116.25 118.93 1o4w h VAL 66 Ca 0.20 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1o4w h VAL 66 Cb 0.27 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1o4w h VAL 66 CO -0.01 0.35 0.18 0.00 0.02 0.00 0.00 177.57 178.11 1o4w h ALA 67 N 1.12 1.01 -0.43 1.67 0.00 -0.65 0.25 119.26 122.22 1o4w h ALA 67 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1o4w h ALA 67 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1o4w h ALA 67 CO -0.01 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.91 1o4w h ALA 68 N 1.15 0.58 -0.81 0.00 0.00 -0.92 0.35 119.26 119.60 1o4w h ALA 68 Ca 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1o4w h ALA 68 Cb 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1o4w h ALA 68 CO -0.00 0.35 0.44 0.00 0.00 0.00 0.00 179.25 180.04 1o4w h ARG 69 N 0.59 1.14 -0.43 0.00 3.08 -0.90 0.51 114.38 118.36 1o4w h ARG 69 Ca 0.12 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1o4w h ARG 69 Cb 0.46 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1o4w h ARG 69 CO 0.02 0.84 0.04 0.35 -1.07 0.00 0.00 179.97 180.15 1o4w h PHE 70 N 1.13 0.79 -0.64 3.04 3.57 -0.76 -1.19 116.94 122.87 1o4w h PHE 70 Ca 0.29 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1o4w h PHE 70 Cb 0.04 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 1o4w h PHE 70 CO 0.00 0.77 0.34 0.00 -2.23 0.00 0.00 178.31 177.19 1o4w h ALA 71 N 0.92 0.86 -0.55 2.41 0.00 -0.69 -1.10 119.26 121.11 1o4w h ALA 71 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1o4w h ALA 71 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1o4w h ALA 71 CO 0.01 0.00 0.30 -0.07 0.00 0.00 0.00 179.25 179.50 1o4w h LEU 72 N 0.63 0.66 -0.43 0.00 3.38 -0.69 -1.80 115.31 117.06 1o4w h LEU 72 Ca 0.29 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1o4w h LEU 72 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1o4w h LEU 72 CO -0.20 0.53 -0.29 0.11 0.09 0.00 0.00 178.44 178.69 1o4w h LYS 73 N 0.76 0.96 -0.88 1.13 6.56 -0.34 -2.82 116.57 121.93 1o4w h LYS 73 Ca 0.20 -0.45 0.04 0.00 -1.06 0.00 0.00 60.65 59.38 1o4w h LYS 73 Cb 0.01 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.61 1o4w h LYS 73 CO -0.03 1.12 0.58 -0.07 -2.06 0.00 0.00 179.45 178.98 1o4w h LEU 74 N 0.79 0.93 -1.42 2.94 3.38 -0.62 -1.44 115.31 119.87 1o4w h LEU 74 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1o4w h LEU 74 Cb 0.87 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1o4w h LEU 74 CO 0.08 0.62 0.00 -0.07 0.09 0.00 0.00 178.44 179.16 1o4w h LEU 75 N 1.07 0.00 -2.27 1.67 3.38 -1.09 -1.29 115.31 116.77 1o4w h LEU 75 Ca 0.36 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.37 1o4w h LEU 75 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1o4w h LEU 75 CO -0.12 0.00 0.17 -0.33 0.09 0.00 0.00 178.44 178.26 1o4w h GLU 76 N 0.00 0.00 -0.48 1.13 5.08 -1.19 -1.75 114.58 117.37 1o4w h GLU 76 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1o4w h GLU 76 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1o4w h GLU 76 CO 0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 1o4w n HIS 77 N -3.77 1.29 -3.99 4.33 8.25 -0.49 -4.95 115.22 115.89 1o4w n HIS 77 Ca 0.01 -0.70 -0.30 0.00 -0.26 0.00 0.00 57.72 56.47 1o4w n HIS 77 Cb 0.29 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1o4w n HIS 77 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1o4w s PHE 78 N -2.19 3.34 0.12 4.41 0.40 -0.66 -4.71 117.98 118.69 1o4w s PHE 78 Ca 0.45 0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.62 1o4w s PHE 78 Cb 0.32 -1.67 -0.06 0.00 0.51 0.00 0.00 43.02 42.12 1o4w s PHE 78 CO 0.17 0.55 1.07 -1.21 0.70 0.00 0.00 175.22 176.50 1o4w s GLU 79 N -2.61 4.58 -0.26 0.44 2.02 0.11 -4.91 118.70 118.08 1o4w s GLU 79 Ca 0.32 1.63 -0.08 0.00 0.02 0.00 0.00 54.97 56.86 1o4w s GLU 79 Cb -0.12 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1o4w s GLU 79 CO 0.25 0.03 0.11 0.08 0.02 0.00 0.00 175.26 175.75 1o4w s VAL 80 N 0.20 4.64 0.10 2.63 1.01 -1.26 -0.87 120.40 126.85 1o4w s VAL 80 Ca 0.51 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.53 1o4w s VAL 80 Cb -0.27 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1o4w s VAL 80 CO 0.32 0.32 -0.23 0.68 0.00 0.00 0.00 175.10 176.18 1o4w s VAL 81 N 1.61 2.46 0.25 2.92 -7.23 -0.06 -4.85 120.40 115.50 1o4w s VAL 81 Ca 0.06 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 1o4w s VAL 81 Cb -0.15 -2.08 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 1o4w s VAL 81 CO 0.06 0.16 0.59 -1.61 -0.31 0.00 0.00 175.10 173.99 1o4w s GLU 82 N -1.90 3.84 0.06 4.82 0.41 -1.26 -1.22 118.70 123.46 1o4w s GLU 82 Ca 0.15 0.36 -0.00 0.00 -0.41 0.00 0.00 54.97 55.07 1o4w s GLU 82 Cb -0.10 -2.60 -0.04 0.00 -1.78 0.00 0.00 34.13 29.61 1o4w s GLU 82 CO 0.07 0.28 -0.04 0.95 -0.49 0.00 0.00 175.26 176.02 1o4w s THR 83 N -1.86 0.36 0.02 3.63 -4.23 -1.26 -4.97 115.64 107.33 1o4w s THR 83 Ca 0.49 -1.80 -0.24 0.00 -1.18 0.00 0.00 61.69 58.95 1o4w s THR 83 Cb -0.11 -1.51 -0.18 0.00 1.34 0.00 0.00 72.50 72.04 1o4w s THR 83 CO 0.20 -0.94 1.42 -0.33 -0.54 0.00 0.00 174.62 174.44 1o4w h GLU 84 N 3.17 0.05 -7.41 3.99 4.39 -1.98 -3.46 114.58 113.32 1o4w h GLU 84 Ca -0.34 -0.02 -0.46 0.00 0.34 0.00 0.00 59.36 58.88 1o4w h GLU 84 Cb 1.15 -0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.89 1o4w h GLU 84 CO 0.64 0.37 0.28 -1.54 -1.16 0.00 0.00 179.01 177.60 1o4w s SER 85 N -5.58 4.53 0.19 1.42 1.04 -1.26 -5.11 113.70 108.92 1o4w s SER 85 Ca -0.15 0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.81 1o4w s SER 85 Cb 0.03 -0.98 -0.05 0.00 0.10 0.00 0.00 66.02 65.13 1o4w s SER 85 CO 0.68 -1.81 -0.15 -1.61 0.98 0.00 0.00 173.24 171.33 1o4w s GLU 86 N -5.38 1.29 3.73 4.02 2.02 -1.26 -4.63 118.70 118.48 1o4w s GLU 86 Ca 0.62 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1o4w s GLU 86 Cb -0.10 -1.12 0.00 0.00 0.10 0.00 0.00 34.13 33.01 1o4w s GLU 86 CO 0.46 0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.35 1o4w n GLY 87 N -0.19 0.59 0.22 -1.39 0.00 -1.26 -3.82 105.19 99.34 1o4w n GLY 87 Ca -0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 1o4w n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1o4w h ASP 88 N 8.69 0.10 -0.56 1.61 3.32 -1.99 -0.97 116.42 126.63 1o4w h ASP 88 Ca 0.00 0.09 0.16 0.00 0.02 0.00 0.00 57.03 57.30 1o4w h ASP 88 Cb 0.00 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1o4w h ASP 88 CO 0.00 0.07 0.53 -0.65 -1.72 0.00 0.00 179.24 177.48 1o4w h PRO 89 N 0.31 0.00 0.00 3.56 0.11 -1.97 -1.16 132.00 132.85 1o4w h PRO 89 Ca 0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 1o4w h PRO 89 Cb 0.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1o4w h PRO 89 CO -0.32 0.00 -0.35 0.66 -0.21 0.00 0.00 178.00 177.78 1o4w h SER 90 N 0.00 0.00 -0.39 -2.05 4.64 -1.27 -2.01 113.55 112.47 1o4w h SER 90 Ca 0.27 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 1o4w h SER 90 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1o4w h SER 90 CO -0.00 0.35 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.16 1o4w h LEU 91 N 0.00 0.74 -0.20 5.97 3.38 -1.30 -0.02 115.31 123.87 1o4w h LEU 91 Ca -0.00 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1o4w h LEU 91 Cb 0.70 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1o4w h LEU 91 CO 0.05 0.92 0.09 0.40 0.09 0.00 0.00 178.44 179.99 1o4w h ILE 92 N 0.55 1.14 -0.35 1.22 2.04 -1.55 -0.81 117.51 119.75 1o4w h ILE 92 Ca 0.10 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1o4w h ILE 92 Cb 0.58 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1o4w h ILE 92 CO 0.03 0.14 0.08 -0.08 0.00 0.00 0.00 178.15 178.32 1o4w h GLU 93 N 0.20 0.19 -0.21 2.37 4.81 -1.11 -0.91 114.58 119.92 1o4w h GLU 93 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1o4w h GLU 93 Cb 0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1o4w h GLU 93 CO -0.01 0.13 0.07 0.00 -0.73 0.00 0.00 179.01 178.47 1o4w h ALA 94 N 1.26 0.27 -0.38 2.92 0.00 -0.98 -1.38 119.26 120.97 1o4w h ALA 94 Ca 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1o4w h ALA 94 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1o4w h ALA 94 CO -0.21 -0.13 0.25 0.00 0.00 0.00 0.00 179.25 179.15 1o4w h ALA 95 N 0.91 0.48 -0.30 0.00 0.00 -0.84 -1.20 119.26 118.31 1o4w h ALA 95 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1o4w h ALA 95 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1o4w h ALA 95 CO -0.00 -0.07 0.09 1.49 0.00 0.00 0.00 179.25 180.75 1o4w h GLU 96 N 0.50 0.46 -0.55 0.00 4.81 -1.14 0.96 114.58 119.63 1o4w h GLU 96 Ca 0.14 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1o4w h GLU 96 Cb -0.05 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1o4w h GLU 96 CO -0.04 0.52 0.34 -0.22 -0.73 0.00 0.00 179.01 178.88 1o4w h LYS 97 N 0.32 0.73 -0.01 1.92 3.64 -1.05 -3.12 116.57 119.01 1o4w h LYS 97 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1o4w h LYS 97 Cb 0.25 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1o4w h LYS 97 CO -0.00 0.52 -0.48 0.66 -2.27 0.00 0.00 179.45 177.87 1o4w n TYR 98 N -4.67 0.00 -2.70 1.91 4.01 -0.47 -4.97 117.16 110.27 1o4w n TYR 98 Ca 0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.71 1o4w n TYR 98 Cb 0.04 -0.09 0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1o4w n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o4w n GLY 99 N 1.42 0.43 3.90 2.72 0.00 -0.06 -4.93 105.19 108.67 1o4w n GLY 99 Ca 0.09 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1o4w n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o4w s ILE 101 N -2.05 3.63 -0.22 0.00 2.07 -0.91 -4.54 121.20 119.18 1o4w s ILE 101 Ca 0.33 1.14 -0.05 0.00 -1.41 0.00 0.00 60.65 60.66 1o4w s ILE 101 Cb -0.09 -3.53 -0.02 0.00 0.13 0.00 0.00 42.46 38.96 1o4w s ILE 101 CO 0.27 -0.10 -0.01 -0.22 -1.91 0.00 0.00 174.94 172.97 1o4w s LEU 102 N -3.09 3.11 -0.33 8.50 2.96 -0.48 -0.87 118.68 128.49 1o4w s LEU 102 Ca 0.63 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 54.15 1o4w s LEU 102 Cb -0.21 -1.80 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1o4w s LEU 102 CO 0.25 0.01 0.17 -0.63 -1.32 0.00 0.00 176.35 174.84 1o4w s ILE 103 N 1.30 4.66 -0.04 6.68 -1.09 -0.03 -1.32 121.20 131.37 1o4w s ILE 103 Ca 0.04 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 57.67 1o4w s ILE 103 Cb -0.15 -3.42 0.07 0.00 -1.58 0.00 0.00 42.46 37.38 1o4w s ILE 103 CO 0.00 0.00 0.68 0.28 -1.23 0.00 0.00 174.94 174.67 1o4w s THR 104 N 1.61 0.00 -2.31 2.92 -1.32 -0.67 -1.09 115.64 114.78 1o4w s THR 104 Ca 0.04 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.73 1o4w s THR 104 Cb -0.17 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.13 1o4w s THR 104 CO 0.07 0.00 1.28 0.59 -2.21 0.00 0.00 174.62 174.35 1o4w n ASN 105 N 0.81 3.11 -4.66 8.08 4.13 -1.26 -4.28 115.26 121.18 1o4w n ASN 105 Ca -0.19 -1.92 -0.43 0.00 1.68 0.00 0.00 54.58 53.72 1o4w n ASN 105 Cb 0.58 -0.16 -0.02 0.00 -1.54 0.00 0.00 39.78 38.64 1o4w n ASN 105 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1o4w s ASP 106 N -1.48 7.01 0.28 6.41 2.15 -1.26 -4.92 116.67 124.87 1o4w s ASP 106 Ca 0.31 1.61 -0.01 0.00 0.43 0.00 0.00 52.55 54.89 1o4w s ASP 106 Cb 0.19 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.67 1o4w s ASP 106 CO 0.28 -0.70 1.83 0.07 -0.17 0.00 0.00 175.17 176.48 1o4w h LYS 107 N 7.86 0.86 -0.26 4.34 2.10 -2.00 -1.50 116.57 127.96 1o4w h LYS 107 Ca -0.25 -0.16 -0.16 0.00 -2.00 0.00 0.00 60.65 58.07 1o4w h LYS 107 Cb 1.10 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1o4w h LYS 107 CO 0.96 0.75 -0.50 1.05 -2.00 0.00 0.00 179.45 179.71 1o4w h GLU 108 N 0.83 0.73 -0.50 0.07 4.11 -2.00 -2.57 114.58 115.25 1o4w h GLU 108 Ca 0.19 -0.43 -0.03 0.00 0.07 0.00 0.00 59.36 59.15 1o4w h GLU 108 Cb 0.26 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1o4w h GLU 108 CO -0.01 1.05 0.19 1.25 0.07 0.00 0.00 179.01 181.57 1o4w h LEU 109 N 0.57 0.70 -0.70 3.06 5.85 -1.87 -1.88 115.31 121.05 1o4w h LEU 109 Ca 0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1o4w h LEU 109 Cb 1.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1o4w h LEU 109 CO 0.10 0.69 0.40 0.11 -0.34 0.00 0.00 178.44 179.41 1o4w h LYS 110 N 0.67 0.96 0.27 1.25 1.57 -1.25 -1.07 116.57 118.96 1o4w h LYS 110 Ca 0.17 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1o4w h LYS 110 Cb 0.21 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1o4w h LYS 110 CO -0.01 0.69 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.34 1o4w h ARG 111 N 0.95 -0.35 -0.87 3.15 2.43 -1.25 0.01 114.38 118.45 1o4w h ARG 111 Ca 0.25 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 1o4w h ARG 111 Cb -0.00 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 1o4w h ARG 111 CO -0.04 -0.16 0.53 0.87 -1.51 0.00 0.00 179.97 179.65 1o4w h LYS 112 N -0.46 0.89 -0.45 0.20 6.56 -1.24 0.55 116.57 122.62 1o4w h LYS 112 Ca -0.04 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.43 1o4w h LYS 112 Cb 0.34 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 1o4w h LYS 112 CO 0.06 0.59 0.02 0.00 -2.06 0.00 0.00 179.45 178.06 1o4w h ALA 113 N 1.44 0.61 -0.48 3.86 0.00 -1.04 -2.31 119.26 121.34 1o4w h ALA 113 Ca 0.40 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1o4w h ALA 113 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1o4w h ALA 113 CO -0.21 0.38 0.28 1.57 0.00 0.00 0.00 179.25 181.27 1o4w h LYS 114 N 0.63 0.55 0.00 0.00 2.10 -0.41 0.10 116.57 119.55 1o4w h LYS 114 Ca 0.13 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 1o4w h LYS 114 Cb 0.47 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1o4w h LYS 114 CO 0.02 0.36 -0.04 -0.56 -2.00 0.00 0.00 179.45 177.23 1o4w h GLN 115 N 0.56 0.00 -0.56 0.07 -0.00 -0.76 -2.53 115.11 111.89 1o4w h GLN 115 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 1o4w h GLN 115 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 1o4w h GLN 115 CO -0.09 0.04 0.00 0.54 -0.00 0.00 0.00 178.83 179.32 1o4w n ARG 116 N -3.72 2.72 -1.51 0.06 1.74 -0.77 -4.97 116.66 110.21 1o4w n ARG 116 Ca -0.03 -2.40 -0.12 0.00 -0.77 0.00 0.00 57.85 54.54 1o4w n ARG 116 Cb 0.14 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 1o4w n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o4w n GLY 117 N 1.23 1.00 3.66 -0.13 0.00 -0.77 -5.02 105.19 105.17 1o4w n GLY 117 Ca 0.19 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1o4w n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o4w s ILE 118 N -2.46 5.07 0.55 -0.61 1.01 0.29 -5.01 121.20 120.03 1o4w s ILE 118 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 60.65 61.52 1o4w s ILE 118 Cb 0.00 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1o4w s ILE 118 CO 0.00 0.16 1.17 -2.16 0.00 0.00 0.00 174.94 174.11 1o4w s PRO 119 N 1.69 3.28 0.03 2.79 0.04 -1.26 -4.06 135.00 137.50 1o4w s PRO 119 Ca 0.26 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.09 1o4w s PRO 119 Cb -0.16 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1o4w s PRO 119 CO 0.10 -0.93 -0.15 0.08 0.04 0.00 0.00 177.00 176.14 1o4w s VAL 120 N -1.66 1.20 0.13 -0.36 1.01 -1.26 -1.38 120.40 118.08 1o4w s VAL 120 Ca 0.73 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1o4w s VAL 120 Cb -0.27 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1o4w s VAL 120 CO 0.31 0.12 -0.11 -0.83 0.00 0.00 0.00 175.10 174.59 1o4w s GLY 121 N -0.91 1.01 0.25 4.51 0.00 -0.43 -4.94 107.32 106.80 1o4w s GLY 121 Ca 0.04 -1.37 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 1o4w s GLY 121 CO 0.01 -1.46 0.45 -2.52 0.00 0.00 0.00 173.10 169.58 1o4w s TYR 122 N -2.86 0.45 -0.01 1.90 -0.85 -1.26 -1.68 117.35 113.04 1o4w s TYR 122 Ca 0.12 -0.80 -0.23 0.00 -0.52 0.00 0.00 57.07 55.65 1o4w s TYR 122 Cb -0.00 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.41 1o4w s TYR 122 CO 0.01 -0.97 0.67 -0.51 -1.52 0.00 0.00 175.55 173.22 1o4w s LEU 123 N -3.04 4.39 0.10 -3.49 1.43 -1.26 -5.00 118.68 111.81 1o4w s LEU 123 Ca 0.24 1.24 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 1o4w s LEU 123 Cb -0.00 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1o4w s LEU 123 CO 0.10 0.01 -0.21 -0.75 0.23 0.00 0.00 176.35 175.73 1o4w s LYS 124 N 0.16 1.13 -0.18 1.70 2.20 -1.26 -5.01 119.74 118.47 1o4w s LYS 124 Ca 0.35 -1.13 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1o4w s LYS 124 Cb -0.19 -1.38 -0.02 0.00 -1.51 0.00 0.00 37.83 34.73 1o4w s LYS 124 CO 0.19 0.32 -0.02 -2.00 -0.36 0.00 0.00 175.35 173.48 1o4w s GLU 125 N -1.83 3.62 -0.24 4.03 2.12 -1.26 -5.09 118.70 120.05 1o4w s GLU 125 Ca 0.06 -0.53 -0.07 0.00 0.36 0.00 0.00 54.97 54.79 1o4w s GLU 125 Cb -0.10 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 1o4w s GLU 125 CO 0.04 0.09 0.06 0.34 -0.54 0.00 0.00 175.26 175.25 1o4w s ASP 126 N 0.79 5.15 -0.21 -1.70 2.15 -1.26 -5.08 116.67 116.50 1o4w s ASP 126 Ca -0.00 -0.18 -0.04 0.00 0.43 0.00 0.00 52.55 52.76 1o4w s ASP 126 Cb -0.14 -1.92 -0.01 0.00 -0.30 0.00 0.00 42.92 40.55 1o4w s ASP 126 CO 0.02 -0.00 -0.03 -0.54 -0.17 0.00 0.00 175.17 174.45 1o4w s LYS 127 N 1.41 3.45 -0.01 4.34 1.02 -1.26 -5.10 119.74 123.58 1o4w s LYS 127 Ca 0.05 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.51 1o4w s LYS 127 Cb -0.15 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1o4w s LYS 127 CO 0.03 -0.12 -0.22 -0.98 -0.92 0.00 0.00 175.35 173.14 1o4w s ARG 128 N 1.31 1.75 -0.18 1.68 1.70 -1.26 -5.11 118.95 118.83 1o4w s ARG 128 Ca 0.04 -0.79 -0.06 0.00 -0.47 0.00 0.00 55.73 54.44 1o4w s ARG 128 Cb -0.14 -1.70 -0.04 0.00 -0.57 0.00 0.00 34.95 32.50 1o4w s ARG 128 CO -0.01 0.46 0.03 0.08 -1.08 0.00 0.00 175.30 174.78 1o4w s VAL 129 N -0.53 4.46 0.04 4.99 1.01 -1.26 -5.09 120.40 124.03 1o4w s VAL 129 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1o4w s VAL 129 Cb -0.08 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1o4w s VAL 129 CO -0.01 0.46 -0.02 0.72 0.00 0.00 0.00 175.10 176.25 1o4w s PHE 130 N 0.48 0.45 -0.16 5.22 -0.12 -1.26 -5.13 117.98 117.46 1o4w s PHE 130 Ca 0.01 -0.94 -0.29 0.00 -0.05 0.00 0.00 56.93 55.66 1o4w s PHE 130 Cb -0.13 -0.34 -0.00 0.00 -0.63 0.00 0.00 43.02 41.92 1o4w s PHE 130 CO 0.01 -0.34 1.02 0.08 -0.05 0.00 0.00 175.22 175.94 1o4w s VAL 131 N -3.37 4.74 -0.24 -2.49 1.01 -1.26 -5.04 120.40 113.74 1o4w s VAL 131 Ca 0.02 2.04 -0.09 0.00 0.00 0.00 0.00 61.98 63.95 1o4w s VAL 131 Cb 0.04 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1o4w s VAL 131 CO -0.08 -0.08 0.11 -0.70 0.00 0.00 0.00 175.10 174.35 1o4w s GLU 132 N 2.53 3.82 0.00 2.72 2.56 -1.26 -4.97 118.70 124.10 1o4w s GLU 132 Ca 0.46 -0.40 0.21 0.00 0.00 0.00 0.00 54.97 55.25 1o4w s GLU 132 Cb -0.17 -3.41 0.09 0.00 2.00 0.00 0.00 34.13 32.64 1o4w s GLU 132 CO 0.13 -0.08 1.10 1.28 -0.56 0.00 0.00 175.26 177.12 1o4w n LEU 133 N 4.65 2.37 -0.81 2.70 4.77 -1.26 -5.36 117.00 124.06 1o4w n LEU 133 Ca -0.16 -0.89 0.13 0.00 -0.03 0.00 0.00 56.01 55.06 1o4w n LEU 133 Cb 0.52 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.84 1o4w n LEU 133 CO 0.33 0.42 0.70 0.18 -1.33 0.00 0.00 177.39 177.69