#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n SER 7 N 0.00 0.00 -0.30 4.52 2.88 -1.26 -4.53 113.62 114.94 1nu1 n SER 7 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1nu1 n SER 7 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 1nu1 n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nu1 h ALA 8 N -2.00 0.70 -0.48 -1.46 0.00 -2.05 -2.53 119.26 111.44 1nu1 h ALA 8 Ca 0.00 0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.31 1nu1 h ALA 8 Cb 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1nu1 h ALA 8 CO 0.00 -0.43 0.03 0.77 0.00 0.00 0.00 179.25 179.62 1nu1 h SER 9 N 0.02 -0.13 0.78 0.00 0.02 -1.99 -0.96 113.55 111.29 1nu1 h SER 9 Ca 0.44 0.11 -0.20 0.00 -0.84 0.00 0.00 61.79 61.29 1nu1 h SER 9 Cb 0.74 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1nu1 h SER 9 CO -0.83 -0.04 -0.93 0.28 -1.14 0.00 0.00 176.83 174.17 1nu1 h SER 10 N 0.15 0.12 1.24 3.07 0.02 -1.71 -2.64 113.55 113.79 1nu1 h SER 10 Ca 0.24 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1nu1 h SER 10 Cb 0.35 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1nu1 h SER 10 CO -0.37 0.98 -0.25 0.03 -1.14 0.00 0.00 176.83 176.07 1nu1 h ARG 11 N 0.04 0.00 0.04 3.45 3.08 -1.36 0.43 114.38 120.06 1nu1 h ARG 11 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1nu1 h ARG 11 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.66 1nu1 h ARG 11 CO 0.13 0.25 -0.02 2.35 -1.07 0.00 0.00 179.97 181.61 1nu1 h TRP 12 N 0.00 -0.05 -0.69 3.04 -0.00 -1.07 0.50 115.95 117.67 1nu1 h TRP 12 Ca -0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.82 1nu1 h TRP 12 Cb 0.94 0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 30.09 1nu1 h TRP 12 CO 0.00 0.45 0.18 1.25 -0.00 0.00 0.00 178.44 180.32 1nu1 h LEU 13 N -0.58 1.03 -0.67 0.65 5.85 -1.38 -0.62 115.31 119.59 1nu1 h LEU 13 Ca -0.01 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1nu1 h LEU 13 Cb 0.52 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1nu1 h LEU 13 CO 0.01 0.99 0.37 -0.08 -0.34 0.00 0.00 178.44 179.38 1nu1 h GLU 14 N 1.02 0.64 0.00 1.25 4.57 -0.85 -0.67 114.58 120.55 1nu1 h GLU 14 Ca 0.22 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1nu1 h GLU 14 Cb 0.35 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1nu1 h GLU 14 CO -0.00 0.43 -0.26 0.78 -1.18 0.00 0.00 179.01 178.78 1nu1 h GLY 15 N 0.66 0.00 0.93 1.92 0.00 -0.61 0.33 103.07 106.30 1nu1 h GLY 15 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1nu1 h GLY 15 CO -0.20 0.00 0.01 -2.22 0.00 0.00 0.00 176.54 174.13 1nu1 h ILE 16 N 0.00 1.06 0.19 2.60 1.08 0.07 0.74 117.51 123.25 1nu1 h ILE 16 Ca -0.00 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1nu1 h ILE 16 Cb 1.09 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1nu1 h ILE 16 CO 0.03 0.05 -0.09 0.03 -0.69 0.00 0.00 178.15 177.48 1nu1 h ARG 17 N -0.04 -0.25 -0.09 2.37 3.08 -0.94 0.14 114.38 118.65 1nu1 h ARG 17 Ca 0.01 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1nu1 h ARG 17 Cb 0.07 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1nu1 h ARG 17 CO -0.00 -0.05 0.21 -0.22 -1.07 0.00 0.00 179.97 178.84 1nu1 h LYS 18 N -0.41 0.00 0.03 0.04 3.64 -0.21 0.88 116.57 120.54 1nu1 h LYS 18 Ca -0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nu1 h LYS 18 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1nu1 h LYS 18 CO 0.04 0.00 -0.01 2.35 -2.27 0.00 0.00 179.45 179.56 1nu1 h TRP 19 N 0.00 -0.03 -0.90 1.91 7.01 -0.25 -2.45 115.95 121.24 1nu1 h TRP 19 Ca 0.04 -0.00 0.24 0.00 2.11 0.00 0.00 58.89 61.28 1nu1 h TRP 19 Cb 0.47 0.01 -0.14 0.00 -2.10 0.00 0.00 29.16 27.40 1nu1 h TRP 19 CO 0.00 -0.02 0.31 -0.92 -2.79 0.00 0.00 178.44 175.02 1nu1 h TYR 20 N -0.33 0.49 0.14 2.65 3.20 0.48 1.01 116.97 124.61 1nu1 h TYR 20 Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1nu1 h TYR 20 Cb 0.03 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1nu1 h TYR 20 CO 0.01 -0.17 -0.27 -0.92 -1.64 0.00 0.00 178.16 175.17 1nu1 h TYR 21 N 0.26 -0.76 -0.65 -3.82 3.20 0.61 0.73 116.97 116.55 1nu1 h TYR 21 Ca 0.58 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.65 1nu1 h TYR 21 Cb 1.17 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.73 1nu1 h TYR 21 CO -0.21 -0.32 0.47 -0.97 -1.64 0.00 0.00 178.16 175.49 1nu1 h ASN 22 N -0.44 0.00 -0.21 -2.11 -1.24 0.21 0.29 115.58 112.08 1nu1 h ASN 22 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.84 1nu1 h ASN 22 Cb 0.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1nu1 h ASN 22 CO -0.10 0.00 -0.46 0.00 -1.29 0.00 0.00 177.43 175.58 1nu1 h ALA 23 N 1.67 0.34 -0.97 1.57 0.00 0.25 -3.18 119.26 118.93 1nu1 h ALA 23 Ca 0.31 -0.48 0.20 0.00 0.00 0.00 0.00 54.91 54.94 1nu1 h ALA 23 Cb 1.24 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1nu1 h ALA 23 CO -0.00 0.49 0.57 0.00 0.00 0.00 0.00 179.25 180.30 1nu1 h ALA 24 N 0.61 1.62 0.00 0.00 0.00 0.42 -3.46 119.26 118.45 1nu1 h ALA 24 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nu1 h ALA 24 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1nu1 h ALA 24 CO 0.10 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1nu1 n GLY 25 N -1.32 0.78 0.28 0.00 0.00 -1.19 -4.91 105.19 98.84 1nu1 n GLY 25 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 1nu1 n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1nu1 h PHE 26 N 0.00 0.72 -1.02 1.61 -0.00 -1.89 -2.64 116.94 113.72 1nu1 h PHE 26 Ca 0.00 -0.09 0.30 0.00 -0.00 0.00 0.00 57.97 58.18 1nu1 h PHE 26 Cb 0.00 -0.20 -0.14 0.00 -0.00 0.00 0.00 35.95 35.61 1nu1 h PHE 26 CO 0.00 0.68 0.60 -2.95 -0.00 0.00 0.00 178.31 176.64 1nu1 h ASN 27 N 0.65 0.55 0.49 -0.68 -1.07 -1.86 0.27 115.58 113.92 1nu1 h ASN 27 Ca 0.13 0.16 0.00 0.00 0.07 0.00 0.00 56.30 56.67 1nu1 h ASN 27 Cb 0.39 0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.73 1nu1 h ASN 27 CO 0.01 -0.05 0.00 0.29 0.07 0.00 0.00 177.43 177.76 1nu1 n LYS 28 N -4.95 0.09 -1.86 4.14 5.02 -1.00 -0.13 118.16 119.48 1nu1 n LYS 28 Ca 0.30 0.39 -0.26 0.00 -2.02 0.00 0.00 58.31 56.72 1nu1 n LYS 28 Cb 0.93 -1.70 0.03 0.00 -0.02 0.00 0.00 35.03 34.27 1nu1 n LYS 28 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nu1 n LEU 29 N -1.88 5.52 -0.64 -0.35 4.77 0.92 0.21 117.00 125.56 1nu1 n LEU 29 Ca 0.02 -4.64 -0.00 0.00 -0.03 0.00 0.00 56.01 51.35 1nu1 n LEU 29 Cb 0.16 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1nu1 n LEU 29 CO 0.14 1.97 -0.00 0.61 -1.33 0.00 0.00 177.39 178.77 1nu1 n GLY 30 N -0.76 0.05 3.69 -0.72 0.00 0.81 -4.45 105.19 103.81 1nu1 n GLY 30 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 1nu1 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nu1 s LEU 31 N -1.31 1.21 0.03 0.99 1.43 -1.12 -4.86 118.68 115.05 1nu1 s LEU 31 Ca 0.00 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1nu1 s LEU 31 Cb 0.00 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1nu1 s LEU 31 CO 0.00 -3.87 -0.06 -0.04 0.23 0.00 0.00 176.35 172.61 1nu1 s MET 32 N -5.62 0.46 0.29 1.70 -1.94 -1.26 -4.50 119.30 108.43 1nu1 s MET 32 Ca 0.73 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 54.09 1nu1 s MET 32 Cb -0.06 -0.24 0.70 0.00 2.01 0.00 0.00 34.83 37.24 1nu1 s MET 32 CO 0.55 0.04 1.62 -0.09 -0.01 0.00 0.00 175.02 177.13 1nu1 h ARG 33 N 4.79 0.11 0.00 2.03 2.43 -1.96 0.32 114.38 122.10 1nu1 h ARG 33 Ca -0.34 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1nu1 h ARG 33 Cb 1.20 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1nu1 h ARG 33 CO 0.42 0.07 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.38 1nu1 h ASP 34 N 0.11 0.00 0.50 -3.80 3.45 -1.96 -1.14 116.42 113.57 1nu1 h ASP 34 Ca 0.55 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.98 1nu1 h ASP 34 Cb 1.13 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 1nu1 h ASP 34 CO -0.75 0.13 -0.18 0.44 -1.57 0.00 0.00 179.24 177.31 1nu1 h ASP 35 N 0.00 0.00 0.19 6.45 3.45 -0.75 -2.99 116.42 122.77 1nu1 h ASP 35 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1nu1 h ASP 35 Cb 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1nu1 h ASP 35 CO 0.02 0.18 -0.41 0.35 -1.57 0.00 0.00 179.24 177.80 1nu1 n THR 36 N -3.64 0.00 -1.72 0.35 -2.24 -0.44 -4.93 114.28 101.66 1nu1 n THR 36 Ca -0.01 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1nu1 n THR 36 Cb 0.30 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1nu1 n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nu1 n ILE 37 N -0.70 0.06 -1.84 2.28 0.00 -1.13 -4.91 119.36 113.13 1nu1 n ILE 37 Ca 0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 62.75 62.41 1nu1 n ILE 37 Cb 0.37 -1.95 -0.03 0.00 0.00 0.00 0.00 39.64 38.04 1nu1 n ILE 37 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1nu1 s HIS 38 N 1.08 1.98 -0.39 9.51 5.65 -1.26 -4.93 115.29 126.94 1nu1 s HIS 38 Ca 0.75 0.03 -0.29 0.00 0.25 0.00 0.00 55.06 55.79 1nu1 s HIS 38 Cb -0.52 -4.07 0.01 0.00 -1.18 0.00 0.00 32.58 26.82 1nu1 s HIS 38 CO 0.34 -4.50 1.39 -1.21 -0.65 0.00 0.00 174.74 170.11 1nu1 s GLU 39 N 3.41 3.64 0.00 2.88 2.02 -1.26 -4.84 118.70 124.55 1nu1 s GLU 39 Ca 0.79 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.78 1nu1 s GLU 39 Cb -0.40 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 29.83 1nu1 s GLU 39 CO 0.35 -1.47 0.00 0.27 0.02 0.00 0.00 175.26 174.42 1nu1 n ASN 40 N 8.57 0.91 0.31 -0.19 0.23 -1.26 -4.88 115.26 118.96 1nu1 n ASN 40 Ca 0.16 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.06 1nu1 n ASN 40 Cb 0.48 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.10 1nu1 n ASN 40 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1nu1 h ASP 41 N 0.00 -0.69 -0.58 0.53 3.45 -1.98 0.25 116.42 117.39 1nu1 h ASP 41 Ca 0.00 -0.03 0.12 0.00 0.43 0.00 0.00 57.03 57.55 1nu1 h ASP 41 Cb 0.00 0.18 -0.09 0.00 -0.56 0.00 0.00 39.33 38.85 1nu1 h ASP 41 CO 0.00 -0.34 0.03 0.44 -1.57 0.00 0.00 179.24 177.80 1nu1 h ASP 42 N -1.07 -0.19 0.18 6.45 3.32 -1.97 0.31 116.42 123.45 1nu1 h ASP 42 Ca -0.08 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1nu1 h ASP 42 Cb 0.68 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1nu1 h ASP 42 CO 0.14 -0.07 -0.08 0.58 -1.72 0.00 0.00 179.24 178.08 1nu1 h VAL 43 N 0.15 0.83 -0.88 -1.35 2.07 -1.87 -2.42 116.25 112.78 1nu1 h VAL 43 Ca 0.30 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.95 1nu1 h VAL 43 Cb 0.48 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 1nu1 h VAL 43 CO -0.47 0.01 0.47 0.50 0.02 0.00 0.00 177.57 178.10 1nu1 h LYS 44 N -0.25 0.64 -0.32 1.57 3.64 0.16 0.30 116.57 122.31 1nu1 h LYS 44 Ca -0.02 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1nu1 h LYS 44 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1nu1 h LYS 44 CO 0.04 0.42 -0.20 1.49 -2.27 0.00 0.00 179.45 178.93 1nu1 h GLU 45 N 0.66 0.70 -0.91 1.90 4.57 -1.24 -1.61 114.58 118.65 1nu1 h GLU 45 Ca 0.48 -0.33 0.06 0.00 -1.18 0.00 0.00 59.36 58.40 1nu1 h GLU 45 Cb 0.68 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 1nu1 h GLU 45 CO -0.36 0.93 0.57 0.00 -1.18 0.00 0.00 179.01 178.97 1nu1 h ALA 46 N 0.75 1.25 -0.78 2.92 0.00 0.03 0.55 119.26 123.98 1nu1 h ALA 46 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nu1 h ALA 46 Cb 0.75 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1nu1 h ALA 46 CO 0.06 0.33 0.50 0.82 0.00 0.00 0.00 179.25 180.96 1nu1 h ILE 47 N 1.04 1.21 -0.13 0.00 1.08 -0.61 -1.37 117.51 118.73 1nu1 h ILE 47 Ca 0.39 -0.42 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1nu1 h ILE 47 Cb 0.17 0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 33.96 1nu1 h ILE 47 CO -0.17 0.21 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.29 1nu1 h ARG 48 N 1.07 -0.14 0.00 2.37 2.43 -0.09 -1.47 114.38 118.55 1nu1 h ARG 48 Ca 0.28 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1nu1 h ARG 48 Cb -0.09 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1nu1 h ARG 48 CO -0.06 -0.09 0.00 0.54 -1.51 0.00 0.00 179.97 178.85 1nu1 n ARG 49 N -5.27 0.04 -2.34 0.20 1.74 0.00 -4.73 116.66 106.31 1nu1 n ARG 49 Ca -0.03 0.31 -0.36 0.00 -0.77 0.00 0.00 57.85 57.00 1nu1 n ARG 49 Cb 0.19 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1nu1 n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nu1 s LEU 50 N -2.76 3.94 0.87 0.55 1.43 -0.56 -5.00 118.68 117.15 1nu1 s LEU 50 Ca 0.04 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 1nu1 s LEU 50 Cb 0.04 -4.37 0.11 0.00 0.03 0.00 0.00 46.19 42.00 1nu1 s LEU 50 CO 0.09 -0.92 1.10 -2.84 0.23 0.00 0.00 176.35 174.02 1nu1 s PRO 51 N -2.90 1.46 0.06 1.29 0.02 -1.26 -4.74 135.00 128.93 1nu1 s PRO 51 Ca 0.66 1.17 -0.20 0.00 0.02 0.00 0.00 61.00 62.65 1nu1 s PRO 51 Cb -0.25 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 1nu1 s PRO 51 CO 0.29 -2.20 1.32 1.49 -0.33 0.00 0.00 177.00 177.58 1nu1 h GLU 52 N -1.54 -0.38 -0.78 5.54 4.57 -1.96 -1.37 114.58 118.65 1nu1 h GLU 52 Ca -0.46 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 57.85 1nu1 h GLU 52 Cb 1.26 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 29.81 1nu1 h GLU 52 CO 0.49 -0.25 -0.45 -2.95 -1.18 0.00 0.00 179.01 174.67 1nu1 h ASN 53 N -0.40 -1.61 0.24 1.04 -0.00 -1.98 0.31 115.58 113.19 1nu1 h ASN 53 Ca 0.01 0.28 -0.01 0.00 -0.00 0.00 0.00 56.30 56.58 1nu1 h ASN 53 Cb 0.42 0.76 -0.01 0.00 -0.00 0.00 0.00 38.32 39.50 1nu1 h ASN 53 CO -0.21 -0.30 -0.19 -0.07 -0.00 0.00 0.00 177.43 176.66 1nu1 h LEU 54 N -0.12 -0.51 -0.96 6.14 3.38 -1.85 0.20 115.31 121.59 1nu1 h LEU 54 Ca 0.23 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1nu1 h LEU 54 Cb 0.54 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 1nu1 h LEU 54 CO -0.83 -0.27 -0.54 0.00 0.09 0.00 0.00 178.44 176.89 1nu1 n TYR 55 N -3.47 -0.37 -0.31 1.13 9.36 -0.55 0.75 117.16 123.70 1nu1 n TYR 55 Ca -0.05 1.19 0.11 0.00 3.32 0.00 0.00 57.90 62.47 1nu1 n TYR 55 Cb 0.18 -0.61 0.28 0.00 -0.63 0.00 0.00 39.34 38.57 1nu1 n TYR 55 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1nu1 h ASP 56 N 0.00 0.50 -0.02 2.98 3.45 0.14 -1.32 116.42 122.15 1nu1 h ASP 56 Ca 0.17 0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.75 1nu1 h ASP 56 Cb 0.41 0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1nu1 h ASP 56 CO -0.90 0.13 0.00 0.44 -1.57 0.00 0.00 179.24 177.34 1nu1 h ASP 57 N 0.55 0.03 -0.52 6.45 3.45 0.35 -2.88 116.42 123.85 1nu1 h ASP 57 Ca 0.53 -0.29 0.07 0.00 0.43 0.00 0.00 57.03 57.78 1nu1 h ASP 57 Cb 0.89 -0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 39.62 1nu1 h ASP 57 CO -0.44 0.31 0.35 -0.09 -1.57 0.00 0.00 179.24 177.80 1nu1 h ARG 58 N -0.25 0.39 -0.00 3.56 2.43 -0.09 -0.11 114.38 120.31 1nu1 h ARG 58 Ca 0.01 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1nu1 h ARG 58 Cb 0.29 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1nu1 h ARG 58 CO 0.00 0.26 -0.80 -0.39 -1.51 0.00 0.00 179.97 177.53 1nu1 h VAL 59 N 0.40 1.56 -0.03 0.20 -1.51 -1.19 -1.84 116.25 113.83 1nu1 h VAL 59 Ca 0.23 -2.69 -0.17 0.00 -1.23 0.00 0.00 66.70 62.84 1nu1 h VAL 59 Cb 0.40 2.46 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1nu1 h VAL 59 CO -0.06 0.77 -0.75 0.15 -1.23 0.00 0.00 177.57 176.45 1nu1 h PHE 60 N 0.02 0.28 0.44 5.19 3.04 -1.01 -1.80 116.94 123.09 1nu1 h PHE 60 Ca -0.01 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 61.78 1nu1 h PHE 60 Cb 1.41 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.88 1nu1 h PHE 60 CO 0.00 0.88 -0.21 0.00 -2.02 0.00 0.00 178.31 176.96 1nu1 h ARG 61 N 0.13 -0.57 -0.97 1.11 3.08 -0.87 -0.97 114.38 115.33 1nu1 h ARG 61 Ca -0.03 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.31 1nu1 h ARG 61 Cb 1.32 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.43 1nu1 h ARG 61 CO 0.11 -0.38 0.65 0.82 -1.07 0.00 0.00 179.97 180.10 1nu1 h ILE 62 N -0.61 0.59 -0.60 2.04 2.04 -1.40 0.24 117.51 119.81 1nu1 h ILE 62 Ca -0.06 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 1nu1 h ILE 62 Cb 0.45 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1nu1 h ILE 62 CO 0.10 0.06 0.03 0.50 0.00 0.00 0.00 178.15 178.84 1nu1 h LYS 63 N 0.31 1.02 -0.54 2.37 3.64 -1.17 0.20 116.57 122.39 1nu1 h LYS 63 Ca 0.51 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1nu1 h LYS 63 Cb 1.45 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1nu1 h LYS 63 CO -0.18 0.98 0.03 -0.09 -2.27 0.00 0.00 179.45 177.92 1nu1 h ARG 64 N 0.94 0.94 0.16 1.90 2.43 0.84 -1.46 114.38 120.14 1nu1 h ARG 64 Ca 0.18 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1nu1 h ARG 64 Cb 0.50 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1nu1 h ARG 64 CO 0.02 0.93 -0.08 0.00 -1.51 0.00 0.00 179.97 179.34 1nu1 h ALA 65 N 0.97 -0.22 -0.42 2.80 0.00 -0.76 0.22 119.26 121.85 1nu1 h ALA 65 Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1nu1 h ALA 65 Cb 0.49 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nu1 h ALA 65 CO 0.02 -0.49 0.28 -0.07 0.00 0.00 0.00 179.25 178.99 1nu1 h LEU 66 N -0.48 0.43 -0.65 0.00 3.38 -0.62 0.67 115.31 118.04 1nu1 h LEU 66 Ca -0.02 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1nu1 h LEU 66 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1nu1 h LEU 66 CO 0.04 0.31 -0.27 -0.78 0.09 0.00 0.00 178.44 177.83 1nu1 h ASP 67 N 0.51 0.80 0.54 -0.43 1.82 -0.67 -0.39 116.42 118.59 1nu1 h ASP 67 Ca 0.16 -0.31 -0.03 0.00 -0.39 0.00 0.00 57.03 56.47 1nu1 h ASP 67 Cb 0.04 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 39.83 1nu1 h ASP 67 CO -0.04 1.02 -0.26 -0.07 -1.61 0.00 0.00 179.24 178.28 1nu1 h LEU 68 N 0.67 -0.61 -1.55 2.28 3.38 0.15 -2.70 115.31 116.93 1nu1 h LEU 68 Ca 0.08 0.02 0.43 0.00 0.09 0.00 0.00 57.88 58.51 1nu1 h LEU 68 Cb 0.79 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1nu1 h LEU 68 CO 0.07 -0.33 0.92 -1.28 0.09 0.00 0.00 178.44 177.91 1nu1 h SER 69 N -0.94 0.20 0.12 -0.43 0.87 0.23 0.49 113.55 114.10 1nu1 h SER 69 Ca -0.07 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1nu1 h SER 69 Cb 0.55 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1nu1 h SER 69 CO 0.12 -0.11 -0.06 -0.03 -0.53 0.00 0.00 176.83 176.22 1nu1 h MET 70 N 0.09 -0.15 -0.56 2.24 1.85 -0.90 -3.17 114.93 114.33 1nu1 h MET 70 Ca 0.79 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.89 1nu1 h MET 70 Cb 2.62 0.04 0.00 0.00 0.43 0.00 0.00 31.60 34.69 1nu1 h MET 70 CO -0.30 -0.10 0.00 2.89 -0.40 0.00 0.00 176.91 178.99 1nu1 n ARG 71 N -2.52 0.83 -1.94 0.39 1.85 0.22 -4.83 116.66 110.65 1nu1 n ARG 71 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.75 1nu1 n ARG 71 Cb 0.06 -1.28 -0.02 0.00 -1.05 0.00 0.00 32.46 30.18 1nu1 n ARG 71 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1nu1 n GLN 72 N -0.11 -1.94 -0.68 2.89 6.02 0.15 -4.95 117.38 118.76 1nu1 n GLN 72 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1nu1 n GLN 72 Cb 0.14 -4.82 0.00 0.00 1.02 0.00 0.00 30.24 26.58 1nu1 n GLN 72 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nu1 n GLN 73 N -2.21 0.92 -3.63 -1.09 1.13 -1.17 -4.98 117.38 106.35 1nu1 n GLN 73 Ca -0.09 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.87 1nu1 n GLN 73 Cb 0.44 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.75 1nu1 n GLN 73 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1nu1 s ILE 74 N 0.60 0.05 0.43 5.09 2.07 -1.26 -4.48 121.20 123.70 1nu1 s ILE 74 Ca 0.00 -0.55 -0.22 0.00 -1.41 0.00 0.00 60.65 58.46 1nu1 s ILE 74 Cb 0.00 -1.25 -0.09 0.00 0.13 0.00 0.00 42.46 41.24 1nu1 s ILE 74 CO 0.00 -0.22 1.01 -0.76 -1.91 0.00 0.00 174.94 173.06 1nu1 s LEU 75 N -2.82 4.00 0.49 8.50 1.43 0.57 -5.00 118.68 125.86 1nu1 s LEU 75 Ca 0.04 1.90 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 1nu1 s LEU 75 Cb 0.01 -4.39 -0.14 0.00 0.03 0.00 0.00 46.19 41.69 1nu1 s LEU 75 CO -0.10 -0.53 0.03 -2.65 0.23 0.00 0.00 176.35 173.33 1nu1 n PRO 76 N -0.48 0.09 -0.09 1.29 -0.02 -1.26 -4.74 135.00 129.78 1nu1 n PRO 76 Ca 0.07 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1nu1 n PRO 76 Cb 0.52 -1.12 0.28 0.00 -0.02 0.00 0.00 33.50 33.16 1nu1 n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1nu1 h LYS 77 N 0.13 0.73 -0.62 -0.52 3.64 -1.97 -2.47 116.57 115.48 1nu1 h LYS 77 Ca -0.41 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 58.97 1nu1 h LYS 77 Cb 1.44 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1nu1 h LYS 77 CO 0.44 0.59 0.23 0.93 -2.27 0.00 0.00 179.45 179.37 1nu1 h GLU 78 N 0.73 0.39 -0.04 1.90 5.08 -2.03 -2.50 114.58 118.11 1nu1 h GLU 78 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1nu1 h GLU 78 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1nu1 h GLU 78 CO -0.02 0.26 0.00 1.04 -1.00 0.00 0.00 179.01 179.29 1nu1 n GLN 79 N -5.00 1.42 -0.64 2.33 6.02 -0.94 -4.90 117.38 115.67 1nu1 n GLN 79 Ca 0.09 -0.62 -0.31 0.00 -0.01 0.00 0.00 57.00 56.15 1nu1 n GLN 79 Cb 0.29 -1.44 0.18 0.00 1.02 0.00 0.00 30.24 30.29 1nu1 n GLN 79 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1nu1 n TRP 80 N -0.22 0.09 -3.12 1.08 7.02 -0.94 -4.67 117.44 116.68 1nu1 n TRP 80 Ca 0.19 0.25 -0.40 0.00 -1.02 0.00 0.00 57.50 56.52 1nu1 n TRP 80 Cb 0.25 -1.90 -0.06 0.00 -2.42 0.00 0.00 31.31 27.18 1nu1 n TRP 80 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1nu1 s THR 81 N -2.55 5.01 -0.15 -0.99 -1.32 -0.94 -4.98 115.64 109.71 1nu1 s THR 81 Ca 0.66 1.16 -0.29 0.00 -1.21 0.00 0.00 61.69 62.01 1nu1 s THR 81 Cb -0.23 -3.94 -0.02 0.00 -1.51 0.00 0.00 72.50 66.80 1nu1 s THR 81 CO 0.61 0.09 1.29 -0.54 -2.21 0.00 0.00 174.62 173.85 1nu1 s LYS 82 N 2.10 4.23 0.57 7.08 1.02 -1.26 -4.78 119.74 128.71 1nu1 s LYS 82 Ca 0.28 1.70 -0.18 0.00 0.02 0.00 0.00 55.97 57.79 1nu1 s LYS 82 Cb -0.16 -3.77 -0.11 0.00 -0.52 0.00 0.00 37.83 33.27 1nu1 s LYS 82 CO 0.10 -0.71 0.15 0.98 -0.92 0.00 0.00 175.35 174.96 1nu1 n TYR 83 N 6.58 -1.96 -3.71 3.18 4.19 -1.26 -1.53 117.16 122.65 1nu1 n TYR 83 Ca 0.14 0.42 -0.21 0.00 3.31 0.00 0.00 57.90 61.56 1nu1 n TYR 83 Cb 0.45 -1.80 -0.02 0.00 0.49 0.00 0.00 39.34 38.46 1nu1 n TYR 83 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1nu1 n GLU 84 N 0.74 -0.77 0.00 2.98 1.02 -1.26 -4.29 120.64 119.05 1nu1 n GLU 84 Ca 0.09 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1nu1 n GLU 84 Cb 0.48 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1nu1 n GLU 84 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1nu1 n GLU 85 N -3.01 0.00 -3.27 3.49 2.13 -0.58 -5.05 120.64 114.35 1nu1 n GLU 85 Ca -0.11 -0.02 -0.44 0.00 0.66 0.00 0.00 57.16 57.25 1nu1 n GLU 85 Cb 0.33 -0.04 -0.07 0.00 0.27 0.00 0.00 31.44 31.92 1nu1 n GLU 85 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1nu1 s ASP 86 N 0.00 6.20 -0.09 4.31 -1.08 -0.91 -4.82 116.67 120.28 1nu1 s ASP 86 Ca 0.00 -0.95 -0.30 0.00 -0.52 0.00 0.00 52.55 50.79 1nu1 s ASP 86 Cb 0.00 -2.24 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 1nu1 s ASP 86 CO 0.00 -0.73 1.42 -0.54 0.52 0.00 0.00 175.17 175.83 1nu1 s LYS 87 N 2.22 4.23 -1.33 4.34 -0.14 -1.26 -4.95 119.74 122.84 1nu1 s LYS 87 Ca 0.11 1.90 -0.08 0.00 -1.36 0.00 0.00 55.97 56.54 1nu1 s LYS 87 Cb -0.20 -3.79 0.12 0.00 -1.68 0.00 0.00 37.83 32.29 1nu1 s LYS 87 CO 0.11 -0.71 2.16 0.45 -0.76 0.00 0.00 175.35 176.60 1nu1 n SER 88 N 6.46 6.34 0.31 2.83 2.88 -1.26 -4.82 113.62 126.36 1nu1 n SER 88 Ca 0.15 -3.07 0.19 0.00 -1.33 0.00 0.00 58.87 54.81 1nu1 n SER 88 Cb 0.44 -1.45 1.01 0.00 -0.75 0.00 0.00 64.21 63.46 1nu1 n SER 88 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1nu1 h TYR 89 N 5.29 0.00 0.00 0.66 -0.00 -1.99 -3.15 116.97 117.78 1nu1 h TYR 89 Ca 0.55 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 58.93 1nu1 h TYR 89 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.15 1nu1 h TYR 89 CO 1.44 0.02 -2.19 -0.11 -0.00 0.00 0.00 178.16 177.31 1nu1 n LEU 90 N -3.30 0.35 -0.29 0.10 0.00 -1.26 -4.58 117.00 108.03 1nu1 n LEU 90 Ca -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 56.01 56.07 1nu1 n LEU 90 Cb 0.13 0.35 0.02 0.00 0.00 0.00 0.00 43.42 43.93 1nu1 n LEU 90 CO 0.24 0.48 0.60 -0.08 0.00 0.00 0.00 177.39 178.64 1nu1 h GLU 91 N 0.00 -0.09 -0.94 1.96 4.81 -1.97 0.10 114.58 118.46 1nu1 h GLU 91 Ca -0.47 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 1nu1 h GLU 91 Cb 2.17 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 31.49 1nu1 h GLU 91 CO 0.04 -0.06 0.57 -1.35 -0.73 0.00 0.00 179.01 177.48 1nu1 h PRO 92 N -0.09 0.87 -0.02 0.92 0.11 -1.81 0.71 132.00 132.69 1nu1 h PRO 92 Ca 0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1nu1 h PRO 92 Cb 0.57 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1nu1 h PRO 92 CO -0.83 0.58 -0.02 1.88 -0.21 0.00 0.00 178.00 179.40 1nu1 h TYR 93 N 0.90 0.07 -0.90 0.65 0.05 -1.28 -2.22 116.97 114.24 1nu1 h TYR 93 Ca 0.47 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.28 1nu1 h TYR 93 Cb 0.47 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 1nu1 h TYR 93 CO -0.03 0.53 0.56 1.25 -1.05 0.00 0.00 178.16 179.43 1nu1 h LEU 94 N -0.41 0.90 -0.02 3.88 6.46 0.60 0.36 115.31 127.08 1nu1 h LEU 94 Ca 0.00 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1nu1 h LEU 94 Cb 0.52 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1nu1 h LEU 94 CO 0.01 0.58 -0.08 0.50 -0.62 0.00 0.00 178.44 178.83 1nu1 h LYS 95 N 1.03 -0.12 -0.12 1.25 3.64 0.45 -1.15 116.57 121.56 1nu1 h LYS 95 Ca 0.39 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1nu1 h LYS 95 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1nu1 h LYS 95 CO -0.17 -0.08 -0.41 1.49 -2.27 0.00 0.00 179.45 178.02 1nu1 h GLU 96 N -0.12 0.27 -0.42 1.90 4.57 -0.32 0.16 114.58 120.62 1nu1 h GLU 96 Ca 0.04 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1nu1 h GLU 96 Cb 0.17 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1nu1 h GLU 96 CO -0.09 0.64 0.18 0.28 -1.18 0.00 0.00 179.01 178.84 1nu1 h VAL 97 N 0.23 1.19 -0.15 0.32 2.07 0.00 -0.93 116.25 118.98 1nu1 h VAL 97 Ca 0.02 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1nu1 h VAL 97 Cb 0.82 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1nu1 h VAL 97 CO 0.06 0.21 0.03 0.40 0.02 0.00 0.00 177.57 178.30 1nu1 h ILE 98 N 0.53 1.20 -0.91 4.57 2.04 -0.78 -2.46 117.51 121.71 1nu1 h ILE 98 Ca 0.14 -0.65 0.25 0.00 1.00 0.00 0.00 64.86 65.60 1nu1 h ILE 98 Cb 0.16 1.35 -0.14 0.00 -0.74 0.00 0.00 36.82 37.45 1nu1 h ILE 98 CO -0.01 0.19 0.33 -0.09 0.00 0.00 0.00 178.15 178.57 1nu1 h ARG 99 N 0.05 0.26 0.10 2.37 2.43 -0.40 0.24 114.38 119.42 1nu1 h ARG 99 Ca 0.05 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1nu1 h ARG 99 Cb 0.27 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1nu1 h ARG 99 CO 0.00 0.17 -0.05 0.93 -1.51 0.00 0.00 179.97 179.52 1nu1 h GLU 100 N 0.27 -0.12 -0.64 0.20 5.08 -0.78 -3.04 114.58 115.55 1nu1 h GLU 100 Ca 0.59 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 59.02 1nu1 h GLU 100 Cb 1.22 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1nu1 h GLU 100 CO -0.62 0.21 0.34 -0.09 -1.00 0.00 0.00 179.01 177.85 1nu1 h ARG 101 N -0.47 0.62 -0.56 2.33 2.43 -0.59 -0.18 114.38 117.97 1nu1 h ARG 101 Ca -0.01 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1nu1 h ARG 101 Cb 0.39 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1nu1 h ARG 101 CO 0.02 0.41 0.37 0.87 -1.51 0.00 0.00 179.97 180.13 1nu1 h LYS 102 N 0.64 0.67 -0.65 0.20 1.57 -1.09 0.94 116.57 118.84 1nu1 h LYS 102 Ca 0.29 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1nu1 h LYS 102 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1nu1 h LYS 102 CO -0.19 0.44 0.34 1.49 -0.57 0.00 0.00 179.45 180.96 1nu1 h GLU 103 N 0.69 0.93 -0.24 3.15 4.81 -0.91 0.36 114.58 123.37 1nu1 h GLU 103 Ca 0.22 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 1nu1 h GLU 103 Cb 0.03 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1nu1 h GLU 103 CO -0.06 0.72 -0.49 0.00 -0.73 0.00 0.00 179.01 178.45 1nu1 h ARG 104 N 0.90 0.65 -0.64 1.92 3.08 -1.19 0.69 114.38 119.78 1nu1 h ARG 104 Ca 0.23 -0.38 0.04 0.00 0.07 0.00 0.00 59.98 59.93 1nu1 h ARG 104 Cb 0.08 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1nu1 h ARG 104 CO -0.03 0.99 0.39 1.49 -1.07 0.00 0.00 179.97 181.74 1nu1 h GLU 105 N 0.51 0.73 -0.18 0.04 4.81 0.21 0.40 114.58 121.10 1nu1 h GLU 105 Ca 0.02 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 1nu1 h GLU 105 Cb 1.04 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1nu1 h GLU 105 CO 0.10 0.48 -0.54 0.93 -0.73 0.00 0.00 179.01 179.25 1nu1 h GLU 106 N 0.75 0.53 0.00 1.92 4.39 -0.06 -2.56 114.58 119.56 1nu1 h GLU 106 Ca 0.27 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1nu1 h GLU 106 Cb 0.06 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1nu1 h GLU 106 CO -0.12 0.94 -0.21 -1.49 -1.16 0.00 0.00 179.01 176.96 1nu1 h TRP 107 N 0.41 0.00 0.00 4.33 4.06 0.29 -2.69 115.95 122.36 1nu1 h TRP 107 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1nu1 h TRP 107 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1nu1 h TRP 107 CO 0.04 0.21 0.00 0.00 -3.56 0.00 0.00 178.44 175.14 1nu1 n ALA 108 N -2.38 2.08 0.08 1.49 0.00 0.13 -3.54 120.51 118.37 1nu1 n ALA 108 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1nu1 n ALA 108 Cb 0.30 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 1nu1 n ALA 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nu1 n LYS 109 N -1.81 0.62 0.00 0.00 5.02 -1.01 -5.09 118.16 115.88 1nu1 n LYS 109 Ca 0.05 0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.52 1nu1 n LYS 109 Cb 0.31 -1.77 0.68 0.00 -0.02 0.00 0.00 35.03 34.24 1nu1 n LYS 109 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24