#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwb s PRO 2 N 0.00 2.10 0.58 0.00 0.02 -1.26 -4.89 135.00 131.55 1lwb s PRO 2 Ca 0.00 1.86 0.31 0.00 0.02 0.00 0.00 61.00 63.19 1lwb s PRO 2 Cb 0.00 -1.82 1.77 0.00 0.02 0.00 0.00 34.50 34.47 1lwb s PRO 2 CO 0.00 -1.89 2.20 0.00 -0.33 0.00 0.00 177.00 176.98 1lwb h ALA 3 N -0.22 1.34 -0.55 -1.55 0.00 -2.04 -1.92 119.26 114.32 1lwb h ALA 3 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1lwb h ALA 3 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1lwb h ALA 3 CO 0.50 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.40 1lwb n ASP 4 N -3.63 3.50 -0.18 0.00 5.75 -1.26 -4.56 116.55 116.18 1lwb n ASP 4 Ca -0.02 -2.18 -0.01 0.00 -0.01 0.00 0.00 54.79 52.57 1lwb n ASP 4 Cb 0.14 -0.45 0.08 0.00 -1.03 0.00 0.00 41.12 39.86 1lwb n ASP 4 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1lwb h LYS 5 N 3.33 0.18 -0.61 0.11 3.64 -1.71 -0.12 116.57 121.38 1lwb h LYS 5 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1lwb h LYS 5 Cb 0.99 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1lwb h LYS 5 CO 0.10 0.12 0.37 -1.35 -2.27 0.00 0.00 179.45 176.41 1lwb h PRO 6 N 0.18 0.82 -0.21 1.90 0.11 -1.85 -0.49 132.00 132.47 1lwb h PRO 6 Ca 0.28 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.14 1lwb h PRO 6 Cb 0.42 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1lwb h PRO 6 CO -0.41 0.58 -0.59 1.96 -0.21 0.00 0.00 178.00 179.33 1lwb h GLN 7 N 0.84 0.70 -0.34 1.05 7.50 -1.52 -2.06 115.11 121.27 1lwb h GLN 7 Ca 0.22 -0.46 -0.02 0.00 0.50 0.00 0.00 58.65 58.89 1lwb h GLN 7 Cb -0.04 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 1lwb h GLN 7 CO -0.04 1.08 0.12 0.28 -1.50 0.00 0.00 178.83 178.77 1lwb h VAL 8 N 0.52 1.20 -0.72 -0.54 2.07 -0.62 -0.99 116.25 117.17 1lwb h VAL 8 Ca 0.00 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1lwb h VAL 8 Cb 1.17 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1lwb h VAL 8 CO 0.12 0.22 0.44 0.25 0.02 0.00 0.00 177.57 178.61 1lwb h LEU 9 N 0.40 0.85 -0.72 2.57 5.85 -1.06 -1.53 115.31 121.67 1lwb h LEU 9 Ca 0.11 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1lwb h LEU 9 Cb 0.22 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1lwb h LEU 9 CO -0.01 0.66 0.47 0.00 -0.34 0.00 0.00 178.44 179.22 1lwb h ALA 10 N 1.23 0.93 0.00 1.25 0.00 -1.17 -2.69 119.26 118.81 1lwb h ALA 10 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1lwb h ALA 10 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1lwb h ALA 10 CO -0.05 0.30 -0.20 0.77 0.00 0.00 0.00 179.25 180.07 1lwb h SER 11 N 0.95 0.00 0.61 0.00 0.02 -0.28 -1.97 113.55 112.88 1lwb h SER 11 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1lwb h SER 11 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1lwb h SER 11 CO -0.08 0.20 -0.04 0.49 -1.14 0.00 0.00 176.83 176.26 1lwb n PHE 12 N -4.03 0.00 -2.09 3.45 0.99 -0.66 -4.26 117.46 110.86 1lwb n PHE 12 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.44 1lwb n PHE 12 Cb 0.28 -0.31 0.11 0.00 -1.00 0.00 0.00 39.48 38.56 1lwb n PHE 12 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1lwb n THR 13 N -1.28 1.35 -2.97 4.37 -2.24 -0.74 -4.76 114.28 108.00 1lwb n THR 13 Ca 0.12 -2.50 -0.22 0.00 -2.27 0.00 0.00 64.05 59.19 1lwb n THR 13 Cb 0.27 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1lwb n THR 13 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1lwb s GLN 14 N -2.14 2.95 0.13 -0.78 -1.52 -1.22 -4.59 119.66 112.49 1lwb s GLN 14 Ca 0.37 -0.64 0.27 0.00 -1.95 0.00 0.00 55.36 53.40 1lwb s GLN 14 Cb 0.38 -2.58 0.96 0.00 -0.22 0.00 0.00 33.01 31.55 1lwb s GLN 14 CO -0.09 -0.32 1.82 0.25 -0.25 0.00 0.00 175.29 176.70 1lwb n THR 15 N -2.07 0.40 -1.86 -0.19 -2.24 -1.26 -4.56 114.28 102.50 1lwb n THR 15 Ca 0.03 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1lwb n THR 15 Cb 0.58 -0.58 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1lwb n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1lwb s SER 16 N -3.96 5.45 0.32 3.42 1.04 -1.26 -4.82 113.70 113.90 1lwb s SER 16 Ca 0.12 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1lwb s SER 16 Cb 0.14 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 64.27 1lwb s SER 16 CO 0.56 -1.39 1.97 0.00 0.98 0.00 0.00 173.24 175.36 1lwb h ALA 17 N 0.12 1.49 -0.50 5.32 0.00 -1.99 -2.18 119.26 121.51 1lwb h ALA 17 Ca -0.46 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1lwb h ALA 17 Cb 1.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1lwb h ALA 17 CO 0.56 0.45 0.12 0.66 0.00 0.00 0.00 179.25 181.04 1lwb h SER 18 N 1.00 0.71 -0.29 0.00 4.64 -1.96 0.23 113.55 117.88 1lwb h SER 18 Ca 0.29 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1lwb h SER 18 Cb -0.04 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1lwb h SER 18 CO -0.07 0.70 0.06 -1.28 -0.87 0.00 0.00 176.83 175.37 1lwb h SER 19 N 0.74 0.45 -0.56 4.97 0.87 -1.68 -1.22 113.55 117.12 1lwb h SER 19 Ca 0.16 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1lwb h SER 19 Cb 0.28 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1lwb h SER 19 CO -0.00 0.57 0.35 -0.61 -0.53 0.00 0.00 176.83 176.62 1lwb h GLN 20 N 0.30 0.69 -0.74 2.24 4.15 -1.06 -0.85 115.11 119.84 1lwb h GLN 20 Ca 0.09 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1lwb h GLN 20 Cb 0.31 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1lwb h GLN 20 CO 0.00 0.46 0.39 -0.91 -1.93 0.00 0.00 178.83 176.84 1lwb h ASN 21 N 0.71 0.94 -0.43 -0.69 2.35 -0.38 0.18 115.58 118.26 1lwb h ASN 21 Ca 0.21 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1lwb h ASN 21 Cb -0.03 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1lwb h ASN 21 CO -0.07 0.78 0.27 0.00 -1.65 0.00 0.00 177.43 176.75 1lwb h ALA 22 N 1.20 0.55 -0.47 -0.83 0.00 -1.03 -1.99 119.26 116.69 1lwb h ALA 22 Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1lwb h ALA 22 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1lwb h ALA 22 CO -0.04 -0.04 0.08 2.35 0.00 0.00 0.00 179.25 181.60 1lwb h TRP 23 N 0.54 0.82 -0.72 0.00 7.01 -0.69 -1.84 115.95 121.06 1lwb h TRP 23 Ca 0.17 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1lwb h TRP 23 Cb -0.02 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 1lwb h TRP 23 CO -0.06 0.76 0.42 -0.07 -2.79 0.00 0.00 178.44 176.70 1lwb h LEU 24 N 0.64 0.87 -0.70 0.65 3.38 -0.43 0.16 115.31 119.88 1lwb h LEU 24 Ca 0.14 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1lwb h LEU 24 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1lwb h LEU 24 CO 0.01 0.68 -0.06 0.00 0.09 0.00 0.00 178.44 179.16 1lwb h ALA 25 N 1.46 0.90 -0.32 1.53 0.00 -1.18 -2.08 119.26 119.58 1lwb h ALA 25 Ca 0.26 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1lwb h ALA 25 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1lwb h ALA 25 CO -0.05 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.54 1lwb h ALA 26 N 1.07 0.87 -0.41 0.00 0.00 -0.61 -2.43 119.26 117.75 1lwb h ALA 26 Ca 0.15 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1lwb h ALA 26 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1lwb h ALA 26 CO 0.04 0.63 0.09 -0.97 0.00 0.00 0.00 179.25 179.04 1lwb h ASN 27 N 0.58 0.56 1.24 0.00 -1.24 -0.46 -0.54 115.58 115.71 1lwb h ASN 27 Ca 0.07 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1lwb h ASN 27 Cb 0.81 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1lwb h ASN 27 CO 0.07 0.57 0.00 0.03 -1.29 0.00 0.00 177.43 176.80 1lwb h ARG 28 N 0.59 0.00 -0.96 6.67 3.08 -1.12 -3.34 114.38 119.31 1lwb h ARG 28 Ca 0.14 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.75 1lwb h ARG 28 Cb 0.24 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.88 1lwb h ARG 28 CO -0.00 0.00 -0.97 0.09 -1.07 0.00 0.00 179.97 178.01 1lwb n ASN 29 N -2.69 3.09 -0.34 7.04 3.02 -0.35 -4.94 115.26 120.09 1lwb n ASN 29 Ca 0.03 -3.05 0.02 0.00 -0.03 0.00 0.00 54.58 51.55 1lwb n ASN 29 Cb 0.36 -0.46 0.16 0.00 -0.61 0.00 0.00 39.78 39.23 1lwb n ASN 29 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1lwb h GLN 30 N 2.63 1.06 -0.15 3.52 4.20 -1.30 -0.94 115.11 124.12 1lwb h GLN 30 Ca 0.10 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1lwb h GLN 30 Cb 1.20 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1lwb h GLN 30 CO 0.58 0.70 0.11 0.66 -0.67 0.00 0.00 178.83 180.21 1lwb h SER 31 N 1.09 0.00 0.52 1.46 4.64 -1.92 -0.41 113.55 118.93 1lwb h SER 31 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1lwb h SER 31 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1lwb h SER 31 CO -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.79 1lwb h ALA 32 N 1.91 1.00 -0.44 5.18 0.00 -1.53 -2.55 119.26 122.83 1lwb h ALA 32 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1lwb h ALA 32 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1lwb h ALA 32 CO -0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.16 1lwb n TRP 33 N -2.66 0.87 -0.26 0.00 7.02 -0.17 -4.72 117.44 117.53 1lwb n TRP 33 Ca -0.00 -0.61 0.11 0.00 -1.02 0.00 0.00 57.50 55.98 1lwb n TRP 33 Cb 0.18 -0.14 0.37 0.00 -2.42 0.00 0.00 31.31 29.30 1lwb n TRP 33 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lwb h ALA 34 N 2.71 1.81 -0.61 6.99 0.00 -1.40 -1.32 119.26 127.45 1lwb h ALA 34 Ca 0.00 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1lwb h ALA 34 Cb 1.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1lwb h ALA 34 CO 0.11 -0.03 0.43 0.00 0.00 0.00 0.00 179.25 179.75 1lwb h ALA 35 N 1.60 2.46 0.00 0.00 0.00 -1.85 -2.47 119.26 119.00 1lwb h ALA 35 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1lwb h ALA 35 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1lwb h ALA 35 CO -0.19 -0.63 -0.10 1.88 0.00 0.00 0.00 179.25 180.21 1lwb h TYR 36 N 0.08 0.00 -6.08 0.00 -1.99 -1.62 -3.39 116.97 103.97 1lwb h TYR 36 Ca 0.29 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.60 1lwb h TYR 36 Cb 1.04 0.00 0.05 0.00 2.00 0.00 0.00 36.73 39.82 1lwb h TYR 36 CO -0.00 0.00 -0.78 0.39 -0.00 0.00 0.00 178.16 177.77 1lwb n GLU 37 N -2.52 -5.78 -1.77 4.88 1.02 -0.93 -4.92 120.64 110.63 1lwb n GLU 37 Ca 0.05 0.67 -0.33 0.00 -0.02 0.00 0.00 57.16 57.53 1lwb n GLU 37 Cb 0.47 -5.47 0.05 0.00 -0.02 0.00 0.00 31.44 26.46 1lwb n GLU 37 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1lwb s PHE 38 N -3.46 2.64 -0.38 -0.32 0.08 -1.26 -5.01 117.98 110.27 1lwb s PHE 38 Ca 0.32 1.55 -0.24 0.00 0.12 0.00 0.00 56.93 58.68 1lwb s PHE 38 Cb -0.15 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.15 1lwb s PHE 38 CO 0.80 -1.67 0.81 0.34 -0.10 0.00 0.00 175.22 175.41 1lwb s ASP 39 N -2.59 6.55 0.00 1.36 -1.08 -1.26 -4.91 116.67 114.74 1lwb s ASP 39 Ca 0.67 0.33 0.23 0.00 -0.52 0.00 0.00 52.55 53.25 1lwb s ASP 39 Cb -0.20 -2.41 0.58 0.00 -1.46 0.00 0.00 42.92 39.43 1lwb s ASP 39 CO 0.41 -0.79 1.50 0.79 0.52 0.00 0.00 175.17 177.60 1lwb n TRP 40 N 6.55 0.83 -2.42 -5.34 7.02 -1.26 -4.78 117.44 118.05 1lwb n TRP 40 Ca 0.04 -0.42 -0.36 0.00 -1.02 0.00 0.00 57.50 55.74 1lwb n TRP 40 Cb 0.48 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.35 1lwb n TRP 40 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1lwb s SER 41 N -1.15 6.32 -0.15 -0.99 1.04 -1.26 -5.04 113.70 112.47 1lwb s SER 41 Ca 0.46 2.10 -0.27 0.00 0.48 0.00 0.00 55.95 58.73 1lwb s SER 41 Cb 0.25 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.85 1lwb s SER 41 CO 0.33 -0.80 0.67 0.28 0.98 0.00 0.00 173.24 174.69 1lwb s THR 42 N -1.73 0.00 -1.92 2.02 -1.32 -1.26 -4.61 115.64 106.82 1lwb s THR 42 Ca 0.64 -0.02 0.21 0.00 -1.21 0.00 0.00 61.69 61.31 1lwb s THR 42 Cb -0.23 -0.96 0.62 0.00 -1.51 0.00 0.00 72.50 70.42 1lwb s THR 42 CO 0.27 -0.01 1.52 0.47 -2.21 0.00 0.00 174.62 174.66 1lwb n ASP 43 N 1.79 3.78 0.00 8.08 10.43 -1.26 -5.06 116.55 134.30 1lwb n ASP 43 Ca -0.17 -2.04 0.00 0.00 2.57 0.00 0.00 54.79 55.15 1lwb n ASP 43 Cb 0.56 -0.47 0.00 0.00 1.84 0.00 0.00 41.12 43.05 1lwb n ASP 43 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1lwb n LEU 44 N 1.47 0.00 -1.85 0.64 4.77 -1.26 -1.77 117.00 119.01 1lwb n LEU 44 Ca 0.23 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1lwb n LEU 44 Cb 0.61 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 42.09 1lwb n LEU 44 CO 0.16 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 177.08 1lwb h THR 46 N 3.92 0.00 -0.36 0.00 1.35 -1.77 -1.87 112.91 114.19 1lwb h THR 46 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1lwb h THR 46 Cb 1.92 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1lwb h THR 46 CO 0.47 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.74 1lwb n GLN 47 N -2.44 3.15 -2.82 4.72 6.02 -1.26 -4.97 117.38 119.77 1lwb n GLN 47 Ca 0.02 -2.64 -0.20 0.00 -0.01 0.00 0.00 57.00 54.17 1lwb n GLN 47 Cb 0.24 -1.71 0.04 0.00 1.02 0.00 0.00 30.24 29.84 1lwb n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lwb s ALA 48 N -2.15 4.23 1.19 -1.58 0.00 -0.70 -5.11 121.76 117.63 1lwb s ALA 48 Ca 0.39 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.54 1lwb s ALA 48 Cb 0.28 -1.81 0.28 0.00 0.00 0.00 0.00 23.12 21.87 1lwb s ALA 48 CO 0.13 -0.71 1.04 -2.14 0.00 0.00 0.00 175.76 174.08 1lwb s PRO 49 N -4.66 -1.13 0.65 0.00 0.02 -1.26 -4.96 135.00 123.66 1lwb s PRO 49 Ca 0.59 0.42 -0.18 0.00 0.02 0.00 0.00 61.00 61.85 1lwb s PRO 49 Cb -0.09 -1.56 -0.01 0.00 0.02 0.00 0.00 34.50 32.86 1lwb s PRO 49 CO 0.38 -3.75 1.24 -0.25 -0.33 0.00 0.00 177.00 174.28 1lwb n ASP 50 N -4.88 1.83 -3.35 2.53 10.43 -1.26 -4.98 116.55 116.87 1lwb n ASP 50 Ca 0.07 0.81 -0.26 0.00 2.57 0.00 0.00 54.79 57.98 1lwb n ASP 50 Cb 0.57 -1.53 -0.08 0.00 1.84 0.00 0.00 41.12 41.92 1lwb n ASP 50 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1lwb n ASN 51 N -1.83 2.02 0.30 -2.24 5.15 -1.26 -5.00 115.26 112.40 1lwb n ASN 51 Ca 0.16 -3.07 0.18 0.00 -0.60 0.00 0.00 54.58 51.24 1lwb n ASN 51 Cb 0.48 -0.66 0.96 0.00 -0.53 0.00 0.00 39.78 40.04 1lwb n ASN 51 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1lwb h PRO 52 N 4.23 0.00 -0.01 1.20 0.13 -2.00 -2.12 132.00 133.43 1lwb h PRO 52 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1lwb h PRO 52 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1lwb h PRO 52 CO 0.65 0.03 -0.43 1.19 -0.23 0.00 0.00 178.00 179.21 1lwb n PHE 53 N -3.45 0.00 -2.33 1.56 0.99 -1.26 -4.99 117.46 107.97 1lwb n PHE 53 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.34 1lwb n PHE 53 Cb 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 1lwb n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lwb n GLY 54 N 1.40 0.12 3.77 1.37 0.00 -0.80 -5.00 105.19 106.05 1lwb n GLY 54 Ca 0.10 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1lwb n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lwb s PHE 55 N -2.57 2.76 -1.14 1.61 0.08 -1.26 -4.90 117.98 112.56 1lwb s PHE 55 Ca 0.05 1.48 -0.18 0.00 0.12 0.00 0.00 56.93 58.40 1lwb s PHE 55 Cb -0.02 -3.51 0.10 0.00 -0.57 0.00 0.00 43.02 39.01 1lwb s PHE 55 CO 0.07 -1.87 1.49 -1.25 -0.10 0.00 0.00 175.22 173.55 1lwb s PRO 56 N -2.63 3.84 0.00 0.24 0.04 -1.26 -4.75 135.00 130.48 1lwb s PRO 56 Ca 0.64 -1.86 0.21 0.00 0.04 0.00 0.00 61.00 60.02 1lwb s PRO 56 Cb -0.33 -5.27 0.41 0.00 0.04 0.00 0.00 34.50 29.35 1lwb s PRO 56 CO 0.40 -2.05 1.36 1.19 0.04 0.00 0.00 177.00 177.94 1lwb n PHE 57 N 7.57 0.51 -0.24 0.56 3.72 -1.26 -4.65 117.46 123.66 1lwb n PHE 57 Ca 0.38 -0.28 -0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1lwb n PHE 57 Cb 0.47 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.08 1lwb n PHE 57 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1lwb h ASN 58 N 4.04 0.67 0.41 4.37 2.35 -1.97 -1.36 115.58 124.08 1lwb h ASN 58 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1lwb h ASN 58 Cb 0.92 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1lwb h ASN 58 CO 0.00 0.46 -0.35 0.74 -1.65 0.00 0.00 177.43 176.63 1lwb h THR 59 N 0.81 1.18 -0.04 2.81 2.02 -1.99 -0.45 112.91 117.24 1lwb h THR 59 Ca 0.28 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1lwb h THR 59 Cb 0.04 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1lwb h THR 59 CO -0.12 0.35 0.00 0.00 0.37 0.00 0.00 175.52 176.12 1lwb h ALA 60 N 1.65 0.06 -0.94 6.16 0.00 -1.66 -2.21 119.26 122.32 1lwb h ALA 60 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1lwb h ALA 60 Cb 0.65 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1lwb h ALA 60 CO 0.05 -0.28 0.62 0.00 0.00 0.00 0.00 179.25 179.63 1lwb h ALA 62 N 1.37 1.17 -0.03 0.00 0.00 -0.89 -1.05 119.26 119.82 1lwb h ALA 62 Ca 0.36 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1lwb h ALA 62 Cb -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1lwb h ALA 62 CO -0.10 0.62 -0.72 -0.09 0.00 0.00 0.00 179.25 178.96 1lwb h ARG 63 N 1.10 0.19 -0.39 0.00 2.43 -1.21 -1.52 114.38 114.97 1lwb h ARG 63 Ca 0.26 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1lwb h ARG 63 Cb 0.14 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1lwb h ARG 63 CO -0.03 0.83 -0.18 1.25 -1.51 0.00 0.00 179.97 180.33 1lwb h HIS 64 N 0.13 0.94 -0.71 2.20 2.76 -1.01 -1.27 115.15 118.19 1lwb h HIS 64 Ca -0.02 -0.23 0.04 0.00 -2.20 0.00 0.00 60.37 57.96 1lwb h HIS 64 Cb 1.27 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.97 1lwb h HIS 64 CO 0.02 0.98 0.44 -0.44 -1.30 0.00 0.00 177.93 177.63 1lwb h ASP 65 N 0.62 0.70 -0.39 3.26 3.45 -1.07 -1.37 116.42 121.62 1lwb h ASP 65 Ca 0.09 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1lwb h ASP 65 Cb 0.73 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 1lwb h ASP 65 CO 0.05 0.48 0.23 0.15 -1.57 0.00 0.00 179.24 178.58 1lwb h PHE 66 N 0.84 0.53 -0.04 4.55 3.04 -0.91 -0.09 116.94 124.86 1lwb h PHE 66 Ca 0.29 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1lwb h PHE 66 Cb 0.06 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 1lwb h PHE 66 CO -0.05 0.40 0.02 0.78 -2.02 0.00 0.00 178.31 177.44 1lwb h GLY 67 N 0.51 0.07 0.69 2.40 0.00 -0.91 -2.09 103.07 103.74 1lwb h GLY 67 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1lwb h GLY 67 CO -0.02 0.03 -0.07 -0.97 0.00 0.00 0.00 176.54 175.51 1lwb h TYR 68 N -0.08 -0.18 -0.51 5.60 0.99 -1.06 -1.69 116.97 120.04 1lwb h TYR 68 Ca 0.01 0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.63 1lwb h TYR 68 Cb 0.15 0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.96 1lwb h TYR 68 CO -0.02 -0.12 -0.18 0.00 -0.00 0.00 0.00 178.16 177.84 1lwb h ARG 69 N -0.08 1.02 0.01 4.88 3.08 -1.01 -0.93 114.38 121.34 1lwb h ARG 69 Ca 0.06 -0.42 -0.21 0.00 0.07 0.00 0.00 59.98 59.48 1lwb h ARG 69 Cb 0.18 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1lwb h ARG 69 CO -0.15 1.10 -0.92 -0.91 -1.07 0.00 0.00 179.97 178.03 1lwb h ASN 70 N 0.89 0.41 0.47 7.04 2.35 -1.36 -1.84 115.58 123.54 1lwb h ASN 70 Ca 0.12 -0.33 -0.17 0.00 -0.55 0.00 0.00 56.30 55.37 1lwb h ASN 70 Cb 0.76 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1lwb h ASN 70 CO 0.06 1.13 -0.72 1.88 -1.65 0.00 0.00 177.43 178.14 1lwb h TYR 71 N 0.17 0.29 -0.63 1.19 0.05 -1.24 -2.49 116.97 114.31 1lwb h TYR 71 Ca -0.07 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.56 1lwb h TYR 71 Cb 1.56 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 39.23 1lwb h TYR 71 CO 0.05 0.85 0.29 0.87 -1.05 0.00 0.00 178.16 179.17 1lwb h LYS 72 N 0.14 0.91 0.00 4.88 1.57 -1.15 -2.38 116.57 120.55 1lwb h LYS 72 Ca -0.02 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1lwb h LYS 72 Cb 1.27 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1lwb h LYS 72 CO 0.11 0.74 -0.15 0.00 -0.57 0.00 0.00 179.45 179.58 1lwb h ALA 73 N 1.12 1.25 -0.00 3.86 0.00 -1.17 -2.03 119.26 122.28 1lwb h ALA 73 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lwb h ALA 73 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1lwb h ALA 73 CO -0.02 0.19 -0.30 0.00 0.00 0.00 0.00 179.25 179.11 1lwb n ALA 74 N -2.28 3.07 -1.21 0.00 0.00 -0.95 -4.94 120.51 114.20 1lwb n ALA 74 Ca -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 1lwb n ALA 74 Cb 0.28 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1lwb n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lwb n GLY 75 N 1.48 0.46 2.73 0.00 0.00 -0.77 -4.94 105.19 104.16 1lwb n GLY 75 Ca 0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 1lwb n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lwb n SER 76 N 1.76 1.63 -0.01 1.61 2.88 -0.95 -4.91 113.62 115.63 1lwb n SER 76 Ca -0.01 -2.40 -0.12 0.00 -1.33 0.00 0.00 58.87 55.00 1lwb n SER 76 Cb 0.13 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.02 1lwb n SER 76 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1lwb h PHE 77 N 2.78 0.13 -0.84 0.66 3.57 -1.87 -3.27 116.94 118.10 1lwb h PHE 77 Ca -0.10 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.39 1lwb h PHE 77 Cb 1.23 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1lwb h PHE 77 CO 0.51 0.29 0.56 -0.44 -2.23 0.00 0.00 178.31 177.00 1lwb h ASP 78 N -0.07 0.96 0.97 0.41 3.32 -1.92 -0.67 116.42 119.42 1lwb h ASP 78 Ca 0.03 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1lwb h ASP 78 Cb 0.22 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1lwb h ASP 78 CO -0.00 0.69 -0.12 0.00 -1.72 0.00 0.00 179.24 178.09 1lwb h ALA 79 N 1.48 1.02 0.00 3.45 0.00 -1.98 -3.26 119.26 119.98 1lwb h ALA 79 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1lwb h ALA 79 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1lwb h ALA 79 CO -0.07 0.15 -0.82 0.09 0.00 0.00 0.00 179.25 178.59 1lwb n ASN 80 N -3.26 0.92 -0.15 0.00 3.02 -0.62 -4.71 115.26 110.45 1lwb n ASN 80 Ca 0.00 -0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 53.91 1lwb n ASN 80 Cb 0.37 1.14 0.06 0.00 -0.61 0.00 0.00 39.78 40.73 1lwb n ASN 80 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1lwb h LYS 81 N 0.00 0.29 -0.63 3.52 3.64 -1.20 -2.57 116.57 119.62 1lwb h LYS 81 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1lwb h LYS 81 Cb 0.37 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1lwb h LYS 81 CO 0.00 0.19 0.41 0.77 -2.27 0.00 0.00 179.45 178.55 1lwb h SER 82 N 0.29 0.70 -0.55 4.20 0.02 -1.84 -0.66 113.55 115.72 1lwb h SER 82 Ca 0.24 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1lwb h SER 82 Cb 0.28 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1lwb h SER 82 CO -0.27 0.50 0.27 -0.09 -1.14 0.00 0.00 176.83 176.10 1lwb h ARG 83 N 0.83 0.79 -0.62 3.45 2.43 -1.83 -0.88 114.38 118.56 1lwb h ARG 83 Ca 0.23 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1lwb h ARG 83 Cb -0.07 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1lwb h ARG 83 CO -0.06 0.65 0.36 0.82 -1.51 0.00 0.00 179.97 180.23 1lwb h ILE 84 N 0.74 1.19 -0.34 1.20 2.04 -1.06 0.48 117.51 121.76 1lwb h ILE 84 Ca 0.19 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1lwb h ILE 84 Cb 0.12 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1lwb h ILE 84 CO -0.02 0.20 0.17 0.44 0.00 0.00 0.00 178.15 178.93 1lwb h ASP 85 N 0.85 0.44 -0.87 1.72 3.45 -1.02 -1.65 116.42 119.34 1lwb h ASP 85 Ca 0.22 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 1lwb h ASP 85 Cb 0.00 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 1lwb h ASP 85 CO -0.04 0.44 0.52 -1.28 -1.57 0.00 0.00 179.24 177.30 1lwb h SER 86 N 0.42 1.05 -0.74 6.45 0.87 -0.78 -2.14 113.55 118.67 1lwb h SER 86 Ca 0.12 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1lwb h SER 86 Cb 0.11 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 1lwb h SER 86 CO -0.02 0.81 0.40 0.00 -0.53 0.00 0.00 176.83 177.50 1lwb h ALA 87 N 1.28 1.29 -0.36 6.23 0.00 -0.64 -0.50 119.26 126.56 1lwb h ALA 87 Ca 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1lwb h ALA 87 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1lwb h ALA 87 CO -0.06 0.57 0.22 0.35 0.00 0.00 0.00 179.25 180.34 1lwb h PHE 88 N 1.06 0.47 -0.53 0.00 3.57 -0.90 -0.29 116.94 120.32 1lwb h PHE 88 Ca 0.27 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1lwb h PHE 88 Cb 0.04 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1lwb h PHE 88 CO 0.01 0.33 0.34 -0.92 -2.23 0.00 0.00 178.31 175.84 1lwb h TYR 89 N 0.48 0.64 -0.49 0.41 3.20 -0.98 -1.49 116.97 118.74 1lwb h TYR 89 Ca 0.13 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1lwb h TYR 89 Cb -0.01 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1lwb h TYR 89 CO -0.04 0.39 -0.01 0.93 -1.64 0.00 0.00 178.16 177.79 1lwb h GLU 90 N 0.69 0.82 -0.66 1.82 4.39 -0.87 -0.31 114.58 120.46 1lwb h GLU 90 Ca 0.20 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1lwb h GLU 90 Cb -0.05 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1lwb h GLU 90 CO -0.06 0.83 0.18 -0.44 -1.16 0.00 0.00 179.01 178.37 1lwb h ASP 91 N 0.76 0.99 -0.39 1.42 3.32 -0.70 -1.75 116.42 120.08 1lwb h ASP 91 Ca 0.15 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1lwb h ASP 91 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1lwb h ASP 91 CO 0.02 0.95 -0.21 0.24 -1.72 0.00 0.00 179.24 178.53 1lwb h MET 92 N 0.98 0.83 -0.67 3.56 2.86 -0.92 -2.90 114.93 118.67 1lwb h MET 92 Ca 0.21 -0.37 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1lwb h MET 92 Cb 0.34 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1lwb h MET 92 CO -0.00 1.00 0.44 0.87 1.06 0.00 0.00 176.91 180.28 1lwb h LYS 93 N 0.63 0.84 -0.99 1.72 1.57 -0.81 -1.27 116.57 118.27 1lwb h LYS 93 Ca 0.08 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1lwb h LYS 93 Cb 0.76 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1lwb h LYS 93 CO 0.06 0.56 0.65 0.00 -0.57 0.00 0.00 179.45 180.15 1lwb h ARG 94 N 0.86 1.24 -0.82 3.15 3.08 -1.12 -1.62 114.38 119.17 1lwb h ARG 94 Ca 0.25 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1lwb h ARG 94 Cb -0.04 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.69 1lwb h ARG 94 CO -0.06 0.82 0.54 0.28 -1.07 0.00 0.00 179.97 180.48 1lwb h VAL 95 N 1.28 1.19 0.00 2.04 2.07 -1.15 -2.88 116.25 118.81 1lwb h VAL 95 Ca 0.38 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1lwb h VAL 95 Cb -0.05 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 1lwb h VAL 95 CO -0.11 0.20 -0.06 0.00 0.02 0.00 0.00 177.57 177.62 1lwb n THR 97 N -3.25 1.07 1.50 0.00 -2.24 -0.96 -1.95 114.28 108.45 1lwb n THR 97 Ca -0.01 0.31 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1lwb n THR 97 Cb 0.26 -1.17 0.76 0.00 -2.10 0.00 0.00 70.33 68.08 1lwb n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lwb n GLY 98 N -0.29 -1.11 3.50 3.38 0.00 -0.79 -4.83 105.19 105.06 1lwb n GLY 98 Ca 0.02 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1lwb n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lwb s TYR 99 N -2.37 2.42 0.32 1.61 2.02 -0.82 -5.09 117.35 115.43 1lwb s TYR 99 Ca 0.32 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.79 1lwb s TYR 99 Cb 0.19 -1.13 -0.06 0.00 -0.40 0.00 0.00 41.96 40.56 1lwb s TYR 99 CO 0.40 0.59 -0.03 0.95 -1.57 0.00 0.00 175.55 175.89 1lwb s THR 100 N -2.05 1.66 0.00 -0.71 -4.23 -1.26 -4.41 115.64 104.64 1lwb s THR 100 Ca 0.26 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1lwb s THR 100 Cb -0.07 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1lwb s THR 100 CO 0.14 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1lwb n GLY 101 N -0.69 1.91 0.36 3.99 0.00 -1.26 -2.89 105.19 106.61 1lwb n GLY 101 Ca -0.05 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1lwb n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lwb h GLU 102 N 0.00 0.81 -0.20 1.61 4.81 -2.00 -0.99 114.58 118.62 1lwb h GLU 102 Ca 0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1lwb h GLU 102 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1lwb h GLU 102 CO 0.00 0.54 -0.28 0.87 -0.73 0.00 0.00 179.01 179.41 1lwb h LYS 103 N 0.83 0.39 -0.16 1.92 1.57 -1.92 0.44 116.57 119.65 1lwb h LYS 103 Ca 0.56 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1lwb h LYS 103 Cb 0.78 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1lwb h LYS 103 CO -0.35 0.64 0.06 -0.97 -0.57 0.00 0.00 179.45 178.26 1lwb h ASN 104 N 0.35 0.07 -0.42 0.86 -0.73 -1.07 -0.51 115.58 114.13 1lwb h ASN 104 Ca 0.05 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1lwb h ASN 104 Cb 0.67 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 1lwb h ASN 104 CO 0.05 0.06 0.21 0.74 -0.37 0.00 0.00 177.43 178.12 1lwb h THR 105 N 0.14 1.17 -0.80 -3.57 2.02 -1.04 -0.72 112.91 110.12 1lwb h THR 105 Ca 0.07 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1lwb h THR 105 Cb 0.04 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1lwb h THR 105 CO -0.07 0.19 0.39 0.00 0.37 0.00 0.00 175.52 176.40 1lwb h ALA 106 N 1.06 1.03 -0.26 6.16 0.00 -0.83 -0.92 119.26 125.50 1lwb h ALA 106 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1lwb h ALA 106 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1lwb h ALA 106 CO -0.02 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.92 1lwb h ASN 108 N 0.27 0.56 -0.42 0.00 2.35 -0.92 -0.63 115.58 116.79 1lwb h ASN 108 Ca 0.09 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1lwb h ASN 108 Cb 0.19 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1lwb h ASN 108 CO -0.01 0.58 -0.07 0.28 -1.65 0.00 0.00 177.43 176.57 1lwb h SER 109 N 0.59 0.78 -0.55 5.81 0.02 -0.91 -0.42 113.55 118.88 1lwb h SER 109 Ca 0.14 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1lwb h SER 109 Cb 0.25 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1lwb h SER 109 CO -0.00 0.94 0.20 0.74 -1.14 0.00 0.00 176.83 177.57 1lwb h THR 110 N 0.61 1.23 -0.25 -2.27 2.02 -0.76 -1.10 112.91 112.38 1lwb h THR 110 Ca 0.11 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.57 1lwb h THR 110 Cb 0.58 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1lwb h THR 110 CO 0.03 0.28 0.11 0.00 0.37 0.00 0.00 175.52 176.31 1lwb h ALA 111 N 1.05 0.30 -0.53 6.16 0.00 -0.94 -0.68 119.26 124.62 1lwb h ALA 111 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lwb h ALA 111 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1lwb h ALA 111 CO -0.01 -0.30 0.34 2.35 0.00 0.00 0.00 179.25 181.63 1lwb h TRP 112 N 0.24 0.67 -0.79 0.00 7.01 -0.80 -1.16 115.95 121.12 1lwb h TRP 112 Ca 0.11 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 1lwb h TRP 112 Cb 0.05 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 1lwb h TRP 112 CO -0.11 0.44 0.34 1.15 -2.79 0.00 0.00 178.44 177.47 1lwb h THR 113 N 0.71 1.25 -0.39 2.65 2.02 -0.74 0.30 112.91 118.72 1lwb h THR 113 Ca 0.19 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1lwb h THR 113 Cb -0.06 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1lwb h THR 113 CO -0.04 0.32 0.16 1.88 0.37 0.00 0.00 175.52 178.21 1lwb h TYR 114 N 1.13 0.58 -0.37 3.16 -1.99 -0.83 -2.19 116.97 116.46 1lwb h TYR 114 Ca 0.27 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 1lwb h TYR 114 Cb 0.17 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1lwb h TYR 114 CO 0.02 0.52 0.17 -0.92 -0.00 0.00 0.00 178.16 177.95 1lwb h TYR 115 N 0.48 0.53 -0.09 4.88 -0.00 -0.93 -2.96 116.97 118.88 1lwb h TYR 115 Ca 0.13 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.73 58.76 1lwb h TYR 115 Cb 0.18 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 36.73 1lwb h TYR 115 CO -0.00 0.46 -0.27 1.96 -0.00 0.00 0.00 178.16 180.31 1lwb h GLN 116 N 0.46 0.16 0.00 1.82 1.08 -0.83 -1.15 115.11 116.64 1lwb h GLN 116 Ca 0.13 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1lwb h GLN 116 Cb 0.13 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1lwb h GLN 116 CO -0.02 0.42 0.00 0.00 -0.95 0.00 0.00 178.83 178.28 1lwb h ALA 117 N 1.59 1.00 0.00 3.87 0.00 -1.23 -2.03 119.26 122.46 1lwb h ALA 117 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 1lwb h ALA 117 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1lwb h ALA 117 CO 0.04 0.00 -2.37 1.33 0.00 0.00 0.00 179.25 178.25 1lwb n VAL 118 N -2.36 1.37 0.27 0.00 0.24 -0.83 -4.40 118.33 112.63 1lwb n VAL 118 Ca 0.02 -0.80 0.12 0.00 -2.04 0.00 0.00 64.34 61.65 1lwb n VAL 118 Cb 0.27 -0.62 0.75 0.00 -1.47 0.00 0.00 33.84 32.77 1lwb n VAL 118 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1lwb h LYS 119 N 0.00 0.00 0.00 7.34 1.57 -1.01 -2.62 116.57 121.85 1lwb h LYS 119 Ca -0.54 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1lwb h LYS 119 Cb 2.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.48 1lwb h LYS 119 CO 0.01 0.09 -0.01 0.97 -0.57 0.00 0.00 179.45 179.95 1lwb h ILE 120 N 0.00 0.11 0.00 1.86 6.09 -1.58 -2.11 117.51 121.88 1lwb h ILE 120 Ca -0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1lwb h ILE 120 Cb 0.24 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1lwb h ILE 120 CO 0.01 0.01 -0.30 0.49 -3.07 0.00 0.00 178.15 175.29 1lwb n PHE 121 N -3.22 0.14 0.00 2.19 3.01 -0.99 -5.15 117.46 113.45 1lwb n PHE 121 Ca -0.02 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1lwb n PHE 121 Cb 0.11 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 1lwb n PHE 121 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18