#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bun s GLU 6 N 0.00 2.99 0.25 1.96 2.56 -1.26 -5.06 118.70 120.14 2bun s GLU 6 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 54.97 53.63 2bun s GLU 6 Cb 0.00 -2.61 -0.12 0.00 2.00 0.00 0.00 34.13 33.40 2bun s GLU 6 CO 0.00 0.38 1.56 0.00 -0.56 0.00 0.00 175.26 176.64 2bun n ALA 7 N -1.23 2.09 -2.12 6.30 0.00 -1.26 -4.93 120.51 119.36 2bun n ALA 7 Ca -0.07 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 2bun n ALA 7 Cb 0.58 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 2bun n ALA 7 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bun s ASP 8 N 0.59 7.40 0.39 0.00 -1.08 -1.26 -4.91 116.67 117.80 2bun s ASP 8 Ca 0.68 1.95 0.28 0.00 -0.52 0.00 0.00 52.55 54.95 2bun s ASP 8 Cb -0.56 -2.60 1.30 0.00 -1.46 0.00 0.00 42.92 39.61 2bun s ASP 8 CO 0.45 -0.12 1.84 -0.37 0.52 0.00 0.00 175.17 177.49 2bun h VAL 9 N 3.80 0.00 -0.58 1.11 -1.51 -2.07 -3.48 116.25 113.52 2bun h VAL 9 Ca -0.44 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2bun h VAL 9 Cb 1.21 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2bun h VAL 9 CO 0.72 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.41 2bun n THR 10 N -2.53 0.00 -3.51 7.19 -2.24 -1.26 -3.71 114.28 108.23 2bun n THR 10 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2bun n THR 10 Cb 0.17 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 2bun n THR 10 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2bun s MET 11 N 0.00 3.51 -0.07 -0.78 -1.94 -1.26 -4.71 119.30 114.04 2bun s MET 11 Ca 0.00 -3.01 -0.10 0.00 -1.71 0.00 0.00 55.69 50.86 2bun s MET 11 Cb 0.00 -4.19 -0.03 0.00 2.01 0.00 0.00 34.83 32.62 2bun s MET 11 CO 0.00 -1.25 -0.20 0.25 -0.01 0.00 0.00 175.02 173.81 2bun n THR 12 N 2.89 1.20 0.00 2.05 -2.24 -1.24 -4.93 114.28 112.01 2bun n THR 12 Ca 0.19 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 2bun n THR 12 Cb 0.39 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 2bun n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bun n GLY 13 N 2.15 2.52 0.00 3.38 0.00 -1.26 -4.58 105.19 107.40 2bun n GLY 13 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2bun n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bun n SER 14 N 9.88 0.00 -3.19 1.61 2.88 -1.26 -5.05 113.62 118.49 2bun n SER 14 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2bun n SER 14 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2bun n ASP 15 N 0.00 0.97 -4.58 -3.46 5.68 -1.26 -4.99 116.55 108.91 2bun n ASP 15 Ca 0.00 -2.93 -0.24 0.00 -0.50 0.00 0.00 54.79 51.13 2bun n ASP 15 Cb 0.00 -0.63 -0.08 0.00 -1.14 0.00 0.00 41.12 39.27 2bun n ASP 15 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2bun s LEU 16 N -1.88 2.97 0.00 -2.12 2.01 -1.22 -3.68 118.68 114.78 2bun s LEU 16 Ca 0.38 -0.77 -0.19 0.00 0.01 0.00 0.00 54.13 53.56 2bun s LEU 16 Cb 0.24 -1.50 0.04 0.00 0.01 0.00 0.00 46.19 44.97 2bun s LEU 16 CO -0.09 0.02 0.41 -0.69 1.01 0.00 0.00 176.35 177.01 2bun s VAL 17 N -2.35 0.05 -0.22 -1.59 1.01 0.15 -0.37 120.40 117.08 2bun s VAL 17 Ca 0.31 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2bun s VAL 17 Cb -0.06 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.55 2bun s VAL 17 CO 0.18 -0.22 -0.06 -0.44 0.00 0.00 0.00 175.10 174.57 2bun s SER 18 N -1.58 3.60 -0.40 3.32 0.01 0.15 -0.61 113.70 118.19 2bun s SER 18 Ca -0.10 -1.05 -0.22 0.00 1.31 0.00 0.00 55.95 55.89 2bun s SER 18 Cb -0.02 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 65.09 2bun s SER 18 CO 0.03 -0.22 0.73 0.00 0.41 0.00 0.00 173.24 174.19 2bun s TYR 21 N -0.21 0.45 0.17 0.00 -0.85 0.22 -3.18 117.35 113.95 2bun s TYR 21 Ca 0.07 -0.82 0.06 0.00 -0.52 0.00 0.00 57.07 55.86 2bun s TYR 21 Cb -0.12 -0.12 -0.05 0.00 0.38 0.00 0.00 41.96 42.05 2bun s TYR 21 CO 0.02 -0.67 -0.13 -0.98 -1.52 0.00 0.00 175.55 172.27 2bun s ARG 22 N -3.97 1.19 0.23 -3.49 3.03 0.39 -0.94 118.95 115.39 2bun s ARG 22 Ca 0.17 -1.51 -0.07 0.00 2.03 0.00 0.00 55.73 56.35 2bun s ARG 22 Cb 0.04 -0.89 -0.02 0.00 -1.03 0.00 0.00 34.95 33.05 2bun s ARG 22 CO -0.01 0.14 0.32 -1.12 -1.13 0.00 0.00 175.30 173.50 2bun s SER 23 N -3.20 0.02 -0.35 -2.89 0.01 0.13 -0.66 113.70 106.77 2bun s SER 23 Ca 0.19 -1.14 0.07 0.00 1.31 0.00 0.00 55.95 56.38 2bun s SER 23 Cb 0.00 0.49 0.48 0.00 0.21 0.00 0.00 66.02 67.20 2bun s SER 23 CO 0.04 -1.00 1.45 0.18 0.41 0.00 0.00 173.24 174.31 2bun n LEU 24 N -0.33 4.88 -0.31 2.44 7.99 -1.26 0.32 117.00 130.73 2bun n LEU 24 Ca 0.00 -4.21 0.00 0.00 -0.01 0.00 0.00 56.01 51.79 2bun n LEU 24 Cb 0.64 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2bun n LEU 24 CO 0.27 1.60 0.00 0.00 -1.51 0.00 0.00 177.39 177.75 2bun n ALA 25 N -0.95 -1.00 -1.68 -1.18 0.00 -0.83 -4.58 120.51 110.29 2bun n ALA 25 Ca 0.41 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.38 2bun n ALA 25 Cb 0.94 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 20.28 2bun n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bun n ALA 26 N 1.33 1.21 0.19 0.00 0.00 0.17 -4.70 120.51 118.71 2bun n ALA 26 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 53.44 53.82 2bun n ALA 26 Cb 0.00 -2.44 0.10 0.00 0.00 0.00 0.00 19.45 17.11 2bun n ALA 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bun n PRO 27 N 5.02 0.07 -0.65 0.00 -0.04 -1.26 -1.66 135.00 136.48 2bun n PRO 27 Ca 0.20 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2bun n PRO 27 Cb 0.30 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.61 2bun n PRO 27 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bun n ASP 28 N -1.23 4.83 -4.80 3.54 5.75 -1.26 -4.98 116.55 118.39 2bun n ASP 28 Ca 0.02 -2.62 -0.32 0.00 -0.01 0.00 0.00 54.79 51.86 2bun n ASP 28 Cb 0.03 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.56 2bun n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2bun s LEU 29 N -2.15 3.38 -0.15 -2.12 1.43 -0.66 -5.06 118.68 113.34 2bun s LEU 29 Ca 0.50 1.77 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 2bun s LEU 29 Cb 0.34 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 42.06 2bun s LEU 29 CO 0.20 -1.29 -0.19 0.42 0.23 0.00 0.00 176.35 175.72 2bun s THR 30 N -2.62 1.89 0.31 5.49 -4.23 -1.26 -5.02 115.64 110.19 2bun s THR 30 Ca 0.62 -0.85 0.08 0.00 -1.18 0.00 0.00 61.69 60.36 2bun s THR 30 Cb -0.16 -1.71 0.31 0.00 1.34 0.00 0.00 72.50 72.29 2bun s THR 30 CO 0.43 0.51 1.68 0.25 -0.54 0.00 0.00 174.62 176.95 2bun h LEU 31 N 7.73 0.38 -1.62 4.79 5.85 -1.99 0.53 115.31 130.99 2bun h LEU 31 Ca -0.39 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2bun h LEU 31 Cb 1.16 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2bun h LEU 31 CO 0.57 -0.06 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.31 2bun h ARG 32 N 0.37 0.00 0.00 1.25 9.65 -1.98 0.99 114.38 124.65 2bun h ARG 32 Ca 0.63 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.48 2bun h ARG 32 Cb 1.31 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.88 2bun h ARG 32 CO -0.57 0.21 -0.39 0.22 2.80 0.00 0.00 179.97 182.24 2bun h ASP 33 N 0.00 0.00 -0.28 -3.80 3.58 -1.33 0.37 116.42 114.96 2bun h ASP 33 Ca -0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 2bun h ASP 33 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2bun h ASP 33 CO 0.03 0.16 -0.51 -0.07 -2.88 0.00 0.00 179.24 175.96 2bun h LEU 34 N 0.00 0.94 -0.76 2.28 -0.00 -0.41 -1.36 115.31 116.01 2bun h LEU 34 Ca -0.01 -0.53 -0.13 0.00 -0.00 0.00 0.00 57.88 57.21 2bun h LEU 34 Cb 1.13 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 2bun h LEU 34 CO 0.02 1.29 -0.58 -0.07 -0.00 0.00 0.00 178.44 179.10 2bun h LEU 35 N 0.62 0.14 -0.88 1.67 -0.00 -1.11 -1.89 115.31 113.86 2bun h LEU 35 Ca 0.02 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 2bun h LEU 35 Cb 1.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 2bun h LEU 35 CO 0.11 0.69 0.20 0.44 -0.00 0.00 0.00 178.44 179.88 2bun h ASP 36 N 0.09 0.96 0.03 -0.43 3.32 -0.76 -2.93 116.42 116.69 2bun h ASP 36 Ca -0.00 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 56.90 2bun h ASP 36 Cb 1.05 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 2bun h ASP 36 CO 0.08 0.90 -0.35 0.40 -1.72 0.00 0.00 179.24 178.55 2bun h ILE 37 N 0.99 0.26 -0.61 0.35 2.04 -0.44 -1.65 117.51 118.44 2bun h ILE 37 Ca 0.22 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.08 2bun h ILE 37 Cb 0.29 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2bun h ILE 37 CO -0.01 0.00 0.40 1.62 0.00 0.00 0.00 178.15 180.17 2bun h VAL 38 N -0.52 1.15 -0.31 1.67 3.04 -1.46 0.93 116.25 120.76 2bun h VAL 38 Ca 0.05 -0.28 -0.07 0.00 -1.01 0.00 0.00 66.70 65.39 2bun h VAL 38 Cb 0.59 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.11 2bun h VAL 38 CO -0.26 0.15 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.03 2bun h GLU 39 N 0.83 0.51 0.00 4.17 5.08 -1.32 -2.60 114.58 121.24 2bun h GLU 39 Ca 0.23 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 2bun h GLU 39 Cb -0.09 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2bun h GLU 39 CO -0.05 0.60 -1.25 0.00 -1.00 0.00 0.00 179.01 177.30 2bun h THR 40 N 0.47 1.10 0.69 1.13 1.03 -0.89 -3.37 112.91 113.07 2bun h THR 40 Ca 0.09 -2.78 -0.03 0.00 -0.01 0.00 0.00 66.41 63.68 2bun h THR 40 Cb 0.45 2.51 0.01 0.00 -1.07 0.00 0.00 68.15 70.04 2bun h THR 40 CO 0.02 0.62 -0.33 -1.28 -0.01 0.00 0.00 175.52 174.55 2bun h SER 41 N 0.00 -0.79 -1.00 0.00 0.87 -0.46 -2.98 113.55 109.20 2bun h SER 41 Ca -0.13 0.03 0.19 0.00 -1.23 0.00 0.00 61.79 60.64 2bun h SER 41 Cb 1.78 0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 63.83 2bun h SER 41 CO 0.09 -0.44 0.61 1.56 -0.53 0.00 0.00 176.83 178.12 2bun h GLN 42 N -1.17 0.74 -0.46 2.24 4.20 -1.69 0.39 115.11 119.36 2bun h GLN 42 Ca -0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 2bun h GLN 42 Cb 0.71 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2bun h GLN 42 CO 0.16 0.49 0.23 0.00 -0.67 0.00 0.00 178.83 179.04 2bun h ALA 43 N 1.64 0.59 0.09 3.87 0.00 -1.72 0.20 119.26 123.94 2bun h ALA 43 Ca 0.57 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 55.13 2bun h ALA 43 Cb 0.90 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2bun h ALA 43 CO -0.37 0.14 -1.15 1.25 0.00 0.00 0.00 179.25 179.12 2bun h HIS 44 N 0.60 0.39 0.09 0.00 -0.00 -0.88 -2.45 115.15 112.90 2bun h HIS 44 Ca 0.16 -0.27 -0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2bun h HIS 44 Cb 0.09 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 2bun h HIS 44 CO -0.01 1.20 -0.06 -0.91 -0.00 0.00 0.00 177.93 178.14 2bun h ASN 45 N 0.07 -0.15 -0.50 3.26 4.21 -0.02 0.26 115.58 122.71 2bun h ASN 45 Ca -0.10 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 2bun h ASN 45 Cb 1.87 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 39.10 2bun h ASN 45 CO 0.18 -0.10 0.30 0.00 -1.29 0.00 0.00 177.43 176.52 2bun h ALA 46 N 0.76 0.64 0.24 -0.83 0.00 -0.65 0.39 119.26 119.81 2bun h ALA 46 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2bun h ALA 46 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2bun h ALA 46 CO 0.00 0.13 -0.12 -0.09 0.00 0.00 0.00 179.25 179.17 2bun h ARG 47 N 0.67 -0.32 -0.00 0.00 9.65 -1.22 -2.27 114.38 120.89 2bun h ARG 47 Ca 0.18 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2bun h ARG 47 Cb 0.00 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2bun h ARG 47 CO -0.03 -0.21 -0.01 0.00 2.80 0.00 0.00 179.97 182.52 2bun n ALA 48 N -2.23 2.62 -1.52 2.80 0.00 0.89 -4.86 120.51 118.22 2bun n ALA 48 Ca -0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 2bun n ALA 48 Cb 0.15 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 2bun n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bun n GLN 49 N -1.04 -0.52 -2.95 0.00 6.02 0.38 -4.68 117.38 114.59 2bun n GLN 49 Ca 0.20 0.62 -0.41 0.00 -0.01 0.00 0.00 57.00 57.40 2bun n GLN 49 Cb 0.18 -4.45 -0.04 0.00 1.02 0.00 0.00 30.24 26.94 2bun n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bun s LEU 50 N -1.78 4.25 0.09 1.08 1.02 0.11 -4.79 118.68 118.67 2bun s LEU 50 Ca 0.00 1.22 0.06 0.00 0.02 0.00 0.00 54.13 55.42 2bun s LEU 50 Cb 0.00 -3.19 -0.04 0.00 0.02 0.00 0.00 46.19 42.98 2bun s LEU 50 CO 0.00 -0.26 -0.04 0.42 0.02 0.00 0.00 176.35 176.49 2bun s THR 51 N 1.45 3.77 0.19 5.49 -4.23 0.61 -4.17 115.64 118.74 2bun s THR 51 Ca 0.39 -1.09 -0.22 0.00 -1.18 0.00 0.00 61.69 59.59 2bun s THR 51 Cb -0.17 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 70.96 2bun s THR 51 CO 0.16 0.12 1.03 -0.83 -0.54 0.00 0.00 174.62 174.56 2bun s GLY 52 N -2.26 0.09 -0.01 3.99 0.00 -0.94 0.90 107.32 109.09 2bun s GLY 52 Ca 0.24 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.37 2bun s GLY 52 CO 0.16 2.14 0.95 0.00 0.00 0.00 0.00 173.10 176.36 2bun s ALA 53 N -2.27 -1.84 -0.02 3.20 0.00 -1.15 -0.57 121.76 119.12 2bun s ALA 53 Ca 0.21 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.95 2bun s ALA 53 Cb -0.03 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2bun s ALA 53 CO 0.05 -0.74 0.35 -0.48 0.00 0.00 0.00 175.76 174.94 2bun s LEU 54 N -2.53 0.71 -0.25 0.00 0.05 -0.59 -2.64 118.68 113.43 2bun s LEU 54 Ca 0.07 0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.39 2bun s LEU 54 Cb -0.01 1.39 0.07 0.00 -2.05 0.00 0.00 46.19 45.59 2bun s LEU 54 CO -0.07 -0.47 -0.00 -0.36 -0.55 0.00 0.00 176.35 174.90 2bun s PHE 55 N -1.34 2.11 -0.27 3.48 0.08 0.14 -2.98 117.98 119.21 2bun s PHE 55 Ca -0.13 -1.66 -0.13 0.00 0.12 0.00 0.00 56.93 55.13 2bun s PHE 55 Cb -0.05 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2bun s PHE 55 CO 0.05 -0.77 0.27 -0.47 -0.10 0.00 0.00 175.22 174.20 2bun s TYR 56 N 1.49 3.24 -0.14 0.36 6.14 -1.26 -0.27 117.35 126.90 2bun s TYR 56 Ca -0.01 0.27 -0.04 0.00 0.64 0.00 0.00 57.07 57.93 2bun s TYR 56 Cb -0.18 -2.46 0.05 0.00 0.42 0.00 0.00 41.96 39.79 2bun s TYR 56 CO -0.10 -0.17 0.07 -1.12 0.64 0.00 0.00 175.55 174.87 2bun s SER 57 N 1.65 2.16 0.00 4.32 0.01 -0.60 -4.96 113.70 116.27 2bun s SER 57 Ca 0.11 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2bun s SER 57 Cb -0.16 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2bun s SER 57 CO 0.10 -0.31 0.00 1.67 0.41 0.00 0.00 173.24 175.11 2bun n GLN 58 N 5.23 0.00 0.00 12.44 7.27 -1.26 -2.14 117.38 138.91 2bun n GLN 58 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 2bun n GLN 58 Cb 0.49 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.14 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bun n GLY 59 N 0.00 0.11 3.67 1.69 0.00 -1.26 -5.08 105.19 104.32 2bun n GLY 59 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2bun n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bun s VAL 60 N -1.00 4.06 -0.20 1.61 0.11 -0.91 -1.97 120.40 122.10 2bun s VAL 60 Ca 0.00 1.32 -0.20 0.00 -2.93 0.00 0.00 61.98 60.17 2bun s VAL 60 Cb 0.00 -3.85 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 2bun s VAL 60 CO 0.00 -0.09 0.60 -0.36 -3.33 0.00 0.00 175.10 171.92 2bun s PHE 61 N 3.32 3.37 -0.23 1.54 0.08 0.15 -1.56 117.98 124.64 2bun s PHE 61 Ca 0.60 0.88 -0.01 0.00 0.12 0.00 0.00 56.93 58.51 2bun s PHE 61 Cb -0.26 -2.76 0.02 0.00 -0.57 0.00 0.00 43.02 39.45 2bun s PHE 61 CO 0.20 -0.16 -0.09 0.12 -0.10 0.00 0.00 175.22 175.20 2bun s PHE 62 N 1.85 3.01 -0.02 0.36 5.36 0.63 0.22 117.98 129.38 2bun s PHE 62 Ca 0.27 -1.53 -0.00 0.00 -0.96 0.00 0.00 56.93 54.71 2bun s PHE 62 Cb -0.16 -2.03 0.03 0.00 -0.34 0.00 0.00 43.02 40.52 2bun s PHE 62 CO 0.10 -0.73 0.03 -1.14 -1.46 0.00 0.00 175.22 172.02 2bun s GLN 63 N 1.33 0.01 0.13 10.12 -0.44 -0.12 0.28 119.66 130.98 2bun s GLN 63 Ca 0.01 0.20 -0.05 0.00 -2.50 0.00 0.00 55.36 53.02 2bun s GLN 63 Cb -0.16 -0.33 -0.02 0.00 -1.64 0.00 0.00 33.01 30.86 2bun s GLN 63 CO -0.06 -0.19 0.15 1.67 0.50 0.00 0.00 175.29 177.36 2bun s TRP 64 N 1.23 0.58 -0.01 1.67 -0.00 -1.08 -0.61 118.94 120.72 2bun s TRP 64 Ca -0.07 -0.97 -0.08 0.00 -0.00 0.00 0.00 56.10 54.97 2bun s TRP 64 Cb -0.13 -0.27 0.01 0.00 -0.00 0.00 0.00 33.47 33.08 2bun s TRP 64 CO -0.03 -0.58 0.17 -0.48 -0.00 0.00 0.00 176.95 176.03 2bun s LEU 65 N -2.98 1.41 -0.21 -4.66 2.34 -1.12 -2.93 118.68 110.53 2bun s LEU 65 Ca 0.18 -0.10 -0.06 0.00 0.06 0.00 0.00 54.13 54.21 2bun s LEU 65 Cb 0.06 0.77 -0.03 0.00 -0.56 0.00 0.00 46.19 46.43 2bun s LEU 65 CO -0.02 -0.35 0.03 -1.61 -1.06 0.00 0.00 176.35 173.34 2bun s GLU 66 N -1.23 3.68 0.16 1.48 2.02 0.26 -3.00 118.70 122.07 2bun s GLU 66 Ca -0.13 -0.48 -0.24 0.00 0.02 0.00 0.00 54.97 54.14 2bun s GLU 66 Cb -0.07 -3.16 0.08 0.00 0.10 0.00 0.00 34.13 31.08 2bun s GLU 66 CO 0.02 0.00 1.05 0.20 0.02 0.00 0.00 175.26 176.55 2bun s GLY 67 N 1.05 -0.01 0.11 -1.39 0.00 0.22 -0.29 107.32 107.01 2bun s GLY 67 Ca 0.03 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.29 2bun s GLY 67 CO 0.02 1.85 1.43 -1.58 0.00 0.00 0.00 173.10 174.83 2bun s HIS 68 N -2.44 3.12 0.15 1.90 2.46 -1.24 0.30 115.29 119.54 2bun s HIS 68 Ca 0.19 0.85 -0.10 0.00 0.47 0.00 0.00 55.06 56.47 2bun s HIS 68 Cb -0.02 -3.73 0.17 0.00 -0.13 0.00 0.00 32.58 28.87 2bun s HIS 68 CO 0.04 -2.63 0.98 -2.30 -2.47 0.00 0.00 174.74 168.35 2bun n PRO 69 N 4.22 -0.14 0.19 2.88 -0.01 -1.25 0.15 135.00 141.05 2bun n PRO 69 Ca 0.12 0.97 0.04 0.00 -0.01 0.00 0.00 63.50 64.63 2bun n PRO 69 Cb 0.42 -1.44 0.38 0.00 -0.01 0.00 0.00 33.50 32.84 2bun n PRO 69 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2bun h ALA 70 N 0.91 1.17 -0.36 3.55 0.00 -1.94 0.16 119.26 122.75 2bun h ALA 70 Ca 0.23 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2bun h ALA 70 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bun h ALA 70 CO -0.63 0.47 -0.41 0.00 0.00 0.00 0.00 179.25 178.67 2bun h ALA 71 N 1.63 0.59 -0.44 0.00 0.00 -0.66 0.33 119.26 120.71 2bun h ALA 71 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2bun h ALA 71 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2bun h ALA 71 CO 0.05 0.68 -0.16 0.28 0.00 0.00 0.00 179.25 180.09 2bun h VAL 72 N 0.72 1.27 -0.04 0.00 2.07 -0.81 -0.99 116.25 118.47 2bun h VAL 72 Ca 0.05 -1.27 -0.17 0.00 0.82 0.00 0.00 66.70 66.13 2bun h VAL 72 Cb 1.00 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2bun h VAL 72 CO 0.10 0.43 -0.74 0.00 0.02 0.00 0.00 177.57 177.38 2bun h ALA 73 N 1.08 0.67 -0.89 1.67 0.00 -0.40 0.59 119.26 121.98 2bun h ALA 73 Ca 0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2bun h ALA 73 Cb 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2bun h ALA 73 CO 0.05 0.81 0.54 1.49 0.00 0.00 0.00 179.25 182.14 2bun h GLU 74 N 0.16 1.21 0.27 0.00 4.81 -0.04 0.71 114.58 121.71 2bun h GLU 74 Ca -0.03 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2bun h GLU 74 Cb 1.31 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2bun h GLU 74 CO 0.12 0.85 -0.13 0.28 -0.73 0.00 0.00 179.01 179.40 2bun h VAL 75 N 1.23 0.77 -0.56 0.32 2.07 -0.85 -2.47 116.25 116.75 2bun h VAL 75 Ca 0.32 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.66 2bun h VAL 75 Cb -0.05 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 30.56 2bun h VAL 75 CO -0.06 0.06 -0.03 0.24 0.02 0.00 0.00 177.57 177.81 2bun h MET 76 N -0.52 0.09 -0.52 1.57 2.86 0.88 0.37 114.93 119.66 2bun h MET 76 Ca -0.04 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2bun h MET 76 Cb 0.38 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 2bun h MET 76 CO 0.06 0.06 0.22 1.03 1.06 0.00 0.00 176.91 179.34 2bun h SER 77 N 0.09 0.27 0.73 1.22 0.87 0.44 0.69 113.55 117.85 2bun h SER 77 Ca 0.29 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.76 2bun h SER 77 Cb 0.45 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2bun h SER 77 CO -0.50 0.18 -0.65 0.45 -0.53 0.00 0.00 176.83 175.79 2bun h HIS 78 N 0.42 0.00 0.01 2.24 3.86 -0.87 -3.05 115.15 117.77 2bun h HIS 78 Ca 0.24 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.40 2bun h HIS 78 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2bun h HIS 78 CO -0.14 0.65 -0.21 0.82 0.86 0.00 0.00 177.93 179.91 2bun h ILE 79 N 0.00 1.60 0.00 2.45 2.04 0.85 -3.22 117.51 121.24 2bun h ILE 79 Ca -0.01 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2bun h ILE 79 Cb 1.19 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 2bun h ILE 79 CO 0.08 0.55 0.00 1.56 0.00 0.00 0.00 178.15 180.35 2bun h GLN 80 N -0.63 0.00 -0.89 2.37 1.08 0.24 -2.56 115.11 114.72 2bun h GLN 80 Ca -0.03 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.56 2bun h GLN 80 Cb 1.02 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 28.12 2bun h GLN 80 CO 0.04 0.00 0.28 0.54 -0.95 0.00 0.00 178.83 178.74 2bun n ARG 81 N -2.80 2.94 0.00 1.46 1.74 -1.15 -4.96 116.66 113.89 2bun n ARG 81 Ca -0.00 -3.56 0.00 0.00 -0.77 0.00 0.00 57.85 53.51 2bun n ARG 81 Cb 0.18 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 2bun n ARG 81 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2bun n ASP 82 N -0.87 0.00 0.00 0.55 2.03 -0.97 -4.97 116.55 112.33 2bun n ASP 82 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2bun n ASP 82 Cb 0.81 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2bun n ARG 83 N 0.00 0.00 -0.02 -0.67 1.85 -1.26 -5.01 116.66 111.55 2bun n ARG 83 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 2bun n ARG 83 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 2bun n ARG 83 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bun h ARG 84 N 0.00 0.14 -4.91 2.89 -0.00 -1.96 -3.41 114.38 107.13 2bun h ARG 84 Ca 0.00 -0.23 -0.69 0.00 -0.50 0.00 0.00 59.98 58.56 2bun h ARG 84 Cb 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 29.97 29.87 2bun h ARG 84 CO 0.00 1.10 0.56 -3.38 0.00 0.00 0.00 179.97 178.25 2bun s HIS 85 N -2.36 3.08 0.10 3.04 -3.43 -1.26 0.43 115.29 114.89 2bun s HIS 85 Ca -0.17 -1.22 -0.01 0.00 -0.80 0.00 0.00 55.06 52.87 2bun s HIS 85 Cb -0.01 -4.18 0.21 0.00 -1.43 0.00 0.00 32.58 27.16 2bun s HIS 85 CO 0.75 -1.43 0.51 0.45 -2.00 0.00 0.00 174.74 173.03 2bun n SER 86 N 6.44 -0.07 0.00 7.38 2.88 -1.26 -1.82 113.62 127.17 2bun n SER 86 Ca 0.11 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 2bun n SER 86 Cb 0.47 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2bun n SER 86 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2bun n ASN 87 N -4.38 3.46 -3.65 -3.46 3.02 -1.26 -4.89 115.26 104.10 2bun n ASN 87 Ca 0.07 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 2bun n ASN 87 Cb 0.21 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2bun n VAL 88 N -1.36 -2.59 -2.99 2.41 3.14 -0.75 -4.89 118.33 111.30 2bun n VAL 88 Ca 0.00 -0.08 -0.44 0.00 -2.96 0.00 0.00 64.34 60.86 2bun n VAL 88 Cb 0.22 -2.29 -0.03 0.00 -1.06 0.00 0.00 33.84 30.68 2bun n VAL 88 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2bun s GLU 89 N -4.85 3.39 0.00 1.45 2.02 0.17 -4.89 118.70 115.98 2bun s GLU 89 Ca 0.06 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.50 2bun s GLU 89 Cb -0.03 -4.60 0.00 0.00 0.10 0.00 0.00 34.13 29.60 2bun s GLU 89 CO 0.76 -1.69 0.71 -0.89 0.02 0.00 0.00 175.26 174.16 2bun n ILE 90 N 5.45 0.00 0.00 -1.63 2.08 -1.26 -0.46 119.36 123.53 2bun n ILE 90 Ca 0.11 1.21 0.00 0.00 0.56 0.00 0.00 62.75 64.63 2bun n ILE 90 Cb 0.47 -1.91 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 2bun n ILE 90 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2bun n LEU 91 N -1.56 0.00 -3.64 1.39 4.77 -1.26 -3.89 117.00 112.81 2bun n LEU 91 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2bun n LEU 91 Cb 0.00 -0.18 -0.17 0.00 -2.33 0.00 0.00 43.42 40.73 2bun n LEU 91 CO 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 175.72 2bun s ALA 92 N -1.04 0.41 -0.22 -1.18 0.00 -1.19 -5.07 121.76 113.48 2bun s ALA 92 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2bun s ALA 92 Cb 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 23.12 22.27 2bun s ALA 92 CO 0.00 -0.94 -0.05 -1.21 0.00 0.00 0.00 175.76 173.56 2bun s GLU 93 N 2.12 1.56 -0.05 0.00 2.02 -1.26 0.17 118.70 123.27 2bun s GLU 93 Ca 0.03 -0.87 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2bun s GLU 93 Cb -0.15 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 2bun s GLU 93 CO -0.07 -0.56 -0.19 -1.83 0.02 0.00 0.00 175.26 172.63 2bun s GLU 94 N 1.46 2.50 -0.21 1.61 -1.05 -0.09 -4.96 118.70 117.96 2bun s GLU 94 Ca -0.04 -0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 53.71 2bun s GLU 94 Cb -0.18 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.23 2bun s GLU 94 CO -0.07 0.53 1.06 -1.12 0.95 0.00 0.00 175.26 176.61 2bun s SER 95 N -0.52 7.10 0.45 0.83 0.01 -1.26 0.29 113.70 120.61 2bun s SER 95 Ca 0.07 1.43 0.05 0.00 1.31 0.00 0.00 55.95 58.81 2bun s SER 95 Cb -0.11 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2bun s SER 95 CO 0.01 -0.65 0.11 0.27 0.41 0.00 0.00 173.24 173.39 2bun s ILE 96 N 3.07 1.85 -2.11 1.44 -4.36 0.51 -4.89 121.20 116.71 2bun s ILE 96 Ca 0.46 -1.84 0.17 0.00 -0.26 0.00 0.00 60.65 59.18 2bun s ILE 96 Cb -0.16 -2.69 0.12 0.00 1.25 0.00 0.00 42.46 40.98 2bun s ILE 96 CO 0.08 0.00 1.03 0.00 0.24 0.00 0.00 174.94 176.30 2bun n ALA 97 N -1.22 2.56 -0.87 2.27 0.00 -1.26 -3.39 120.51 118.60 2bun n ALA 97 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2bun n ALA 97 Cb 0.66 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2bun n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bun n LYS 98 N 0.85 0.00 -1.31 0.00 4.81 -1.26 -4.29 118.16 116.96 2bun n LYS 98 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2bun n LYS 98 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 2bun n LYS 98 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2bun n ARG 99 N -0.78 0.00 -0.02 1.64 0.63 -1.26 -4.96 116.66 111.91 2bun n ARG 99 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 2bun n ARG 99 Cb 0.00 -2.08 -0.13 0.00 0.45 0.00 0.00 32.46 30.70 2bun n ARG 99 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2bun n ARG 100 N -0.88 0.71 -4.37 -0.14 1.74 -1.26 -4.96 116.66 107.51 2bun n ARG 100 Ca 0.00 0.35 -0.19 0.00 -0.77 0.00 0.00 57.85 57.24 2bun n ARG 100 Cb 0.31 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 2bun n ARG 100 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2bun s PHE 101 N -2.51 1.71 -0.19 -1.55 0.40 -1.26 -5.04 117.98 109.54 2bun s PHE 101 Ca -0.24 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.29 2bun s PHE 101 Cb 0.06 -0.98 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 2bun s PHE 101 CO 0.72 0.10 0.27 0.00 0.70 0.00 0.00 175.22 177.01 2bun n ALA 102 N -0.47 2.38 -3.07 5.36 0.00 -1.26 -4.82 120.51 118.62 2bun n ALA 102 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 2bun n ALA 102 Cb 0.63 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 2bun n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bun s GLY 103 N -0.88 -0.23 0.30 0.00 0.00 -1.26 -4.84 107.32 100.40 2bun s GLY 103 Ca 0.02 0.13 -0.27 0.00 0.00 0.00 0.00 44.72 44.60 2bun s GLY 103 CO 0.08 -0.12 0.93 0.86 0.00 0.00 0.00 173.10 174.85 2bun s TRP 104 N -2.86 3.77 0.06 1.90 -0.00 -1.24 -2.23 118.94 118.34 2bun s TRP 104 Ca -0.03 1.80 0.08 0.00 -0.00 0.00 0.00 56.10 57.95 2bun s TRP 104 Cb 0.00 -2.92 -0.03 0.00 -0.00 0.00 0.00 33.47 30.52 2bun s TRP 104 CO -0.05 0.28 -0.21 -1.01 -0.00 0.00 0.00 176.95 175.96 2bun s HIS 105 N -1.50 1.83 0.41 5.86 3.76 0.27 -4.77 115.29 121.15 2bun s HIS 105 Ca 0.47 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 55.07 2bun s HIS 105 Cb -0.20 -1.06 -0.01 0.00 1.11 0.00 0.00 32.58 32.42 2bun s HIS 105 CO 0.26 0.14 0.44 1.41 -0.85 0.00 0.00 174.74 176.14 2bun s MET 106 N -1.44 2.67 0.04 1.40 1.75 -1.26 -1.55 119.30 120.91 2bun s MET 106 Ca 0.07 -1.40 -0.15 0.00 -1.25 0.00 0.00 55.69 52.97 2bun s MET 106 Cb -0.09 -2.53 -0.34 0.00 2.84 0.00 0.00 34.83 34.70 2bun s MET 106 CO 0.03 -0.19 1.03 0.37 -0.65 0.00 0.00 175.02 175.60 2bun h GLN 107 N 0.90 0.54 -3.39 4.11 5.75 -1.90 -3.37 115.11 117.75 2bun h GLN 107 Ca -0.41 -0.88 -0.76 0.00 -0.15 0.00 0.00 58.65 56.44 2bun h GLN 107 Cb 1.27 0.32 -0.16 0.00 1.07 0.00 0.00 27.48 29.98 2bun h GLN 107 CO 0.53 1.42 1.97 -0.11 -2.65 0.00 0.00 178.83 179.99 2bun n LEU 108 N -3.72 6.75 -0.04 -2.39 -0.00 -1.26 -3.91 117.00 112.43 2bun n LEU 108 Ca -0.16 -4.70 0.01 0.00 -0.00 0.00 0.00 56.01 51.16 2bun n LEU 108 Cb 1.08 -1.45 -0.13 0.00 -0.00 0.00 0.00 43.42 42.92 2bun n LEU 108 CO 0.60 1.45 -0.83 -1.20 -0.00 0.00 0.00 177.39 177.41 2bun n SER 109 N 3.53 1.21 0.00 1.96 7.64 -1.26 -5.05 113.62 121.64 2bun n SER 109 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2bun n SER 109 Cb 0.35 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.92 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bun n SER 111 N 1.11 -0.75 0.14 0.00 3.41 -1.26 -4.95 113.62 111.32 2bun n SER 111 Ca 0.00 -1.46 -0.13 0.00 -0.26 0.00 0.00 58.87 57.02 2bun n SER 111 Cb 0.00 1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 65.12 2bun n SER 111 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2bun h GLU 112 N 0.00 -0.45 0.00 4.33 3.07 -2.03 -3.45 114.58 116.04 2bun h GLU 112 Ca -0.11 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2bun h GLU 112 Cb 0.46 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2bun h GLU 112 CO 0.15 -0.30 0.00 0.00 -1.40 0.00 0.00 179.01 177.46 2bun n ALA 113 N -2.51 0.00 0.07 3.43 0.00 -1.26 -4.66 120.51 115.58 2bun n ALA 113 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 2bun n ALA 113 Cb 0.26 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 2bun n ALA 113 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2bun h ASP 114 N 0.00 0.45 -0.38 0.00 2.03 -2.06 -3.31 116.42 113.14 2bun h ASP 114 Ca 0.00 -0.63 -0.03 0.00 -0.73 0.00 0.00 57.03 55.64 2bun h ASP 114 Cb 0.00 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.34 2bun h ASP 114 CO 0.00 1.53 0.14 0.24 -1.03 0.00 0.00 179.24 180.12 2bun h MET 115 N 0.08 0.58 0.00 4.15 2.86 -2.00 -3.46 114.93 117.14 2bun h MET 115 Ca -0.27 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2bun h MET 115 Cb 2.04 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.61 2bun h MET 115 CO 0.17 0.57 0.00 0.54 1.06 0.00 0.00 176.91 179.24 2bun n ARG 116 N -4.64 0.00 0.00 1.72 1.74 -1.25 -4.72 116.66 109.50 2bun n ARG 116 Ca -0.01 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2bun n ARG 116 Cb 0.16 -1.67 0.27 0.00 -1.02 0.00 0.00 32.46 30.19 2bun n ARG 116 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bun n SER 117 N 0.25 0.00 0.00 0.55 3.41 -1.23 -0.09 113.62 116.51 2bun n SER 117 Ca 0.00 -0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.45 2bun n SER 117 Cb 0.00 -0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.57 2bun n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bun n LEU 118 N -1.00 0.00 0.00 1.04 -0.00 -1.26 -4.73 117.00 111.04 2bun n LEU 118 Ca 0.07 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 2bun n LEU 118 Cb 0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2bun n LEU 118 CO 0.05 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 2bun n GLY 119 N 0.56 0.70 0.07 1.47 0.00 -1.07 -4.91 105.19 102.00 2bun n GLY 119 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2bun n GLY 119 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bun h LEU 120 N 0.00 -0.03 -7.84 0.99 6.46 -1.53 -3.41 115.31 109.95 2bun h LEU 120 Ca 0.00 -0.10 -0.78 0.00 -0.12 0.00 0.00 57.88 56.88 2bun h LEU 120 Cb 0.00 0.01 -0.27 0.00 -0.73 0.00 0.00 40.66 39.67 2bun h LEU 120 CO 0.00 0.51 0.01 0.00 -0.62 0.00 0.00 178.44 178.34 2bun s ALA 121 N -2.62 3.98 0.03 1.25 0.00 0.87 -4.96 121.76 120.31 2bun s ALA 121 Ca -0.02 -3.21 -0.01 0.00 0.00 0.00 0.00 51.96 48.72 2bun s ALA 121 Cb -0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2bun s ALA 121 CO 0.09 -2.22 -0.02 -2.00 0.00 0.00 0.00 175.76 171.61 2bun s GLU 122 N 0.34 0.42 0.51 0.00 2.12 -1.26 -3.54 118.70 117.30 2bun s GLU 122 Ca 0.16 -0.80 -0.22 0.00 0.36 0.00 0.00 54.97 54.47 2bun s GLU 122 Cb -0.14 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.34 2bun s GLU 122 CO -0.07 -0.08 1.24 -1.12 -0.54 0.00 0.00 175.26 174.69 2bun s SER 123 N -1.95 5.71 -0.12 -1.70 0.01 -1.26 -4.93 113.70 109.46 2bun s SER 123 Ca -0.08 2.47 0.16 0.00 1.31 0.00 0.00 55.95 59.81 2bun s SER 123 Cb -0.04 -2.61 0.37 0.00 0.21 0.00 0.00 66.02 63.95 2bun s SER 123 CO -0.04 -1.25 1.18 -2.11 0.41 0.00 0.00 173.24 171.43 2bun n ARG 124 N -0.85 0.94 -0.57 12.44 0.00 -1.26 -5.21 116.66 122.15 2bun n ARG 124 Ca 0.09 -2.63 0.00 0.00 -0.00 0.00 0.00 57.85 55.31 2bun n ARG 124 Cb 0.47 -1.03 0.00 0.00 -0.00 0.00 0.00 32.46 31.90 2bun n ARG 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57