#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 1.90 0.15 3.23 2.56 -1.26 -5.11 118.70 120.17 2bun s GLU 6 Ca 0.00 -1.08 -0.28 0.00 0.00 0.00 0.00 54.97 53.61 2bun s GLU 6 Cb 0.00 -2.11 -0.07 0.00 2.00 0.00 0.00 34.13 33.95 2bun s GLU 6 CO 0.00 0.51 0.88 0.00 -0.56 0.00 0.00 175.26 176.10 2bun s ALA 7 N -0.96 3.34 0.51 6.30 0.00 -1.26 -5.04 121.76 124.65 2bun s ALA 7 Ca 0.15 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 2bun s ALA 7 Cb -0.10 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2bun s ALA 7 CO 0.06 0.13 0.98 0.34 0.00 0.00 0.00 175.76 177.27 2bun s ASP 8 N -0.61 6.63 0.61 0.00 2.15 -1.26 -4.95 116.67 119.25 2bun s ASP 8 Ca 0.41 1.57 0.38 0.00 0.43 0.00 0.00 52.55 55.34 2bun s ASP 8 Cb -0.24 -2.51 1.95 0.00 -0.30 0.00 0.00 42.92 41.83 2bun s ASP 8 CO 0.29 -0.57 2.21 -0.37 -0.17 0.00 0.00 175.17 176.55 2bun h VAL 9 N 0.96 0.11 -0.81 1.11 -1.51 -2.03 -3.48 116.25 110.59 2bun h VAL 9 Ca -0.47 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2bun h VAL 9 Cb 1.18 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2bun h VAL 9 CO 0.61 0.02 0.00 0.35 -1.23 0.00 0.00 177.57 177.32 2bun n THR 10 N -3.20 0.00 -2.24 7.19 -2.24 -1.26 -4.35 114.28 108.17 2bun n THR 10 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 2bun n THR 10 Cb 0.16 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.95 -0.40 -0.78 -1.94 -1.26 -4.89 119.30 112.97 2bun s MET 11 Ca 0.00 -0.53 -0.03 0.00 -1.71 0.00 0.00 55.69 53.42 2bun s MET 11 Cb 0.00 -5.10 0.11 0.00 2.01 0.00 0.00 34.83 31.85 2bun s MET 11 CO 0.00 -2.89 0.19 0.95 -0.01 0.00 0.00 175.02 173.26 2bun s THR 12 N 8.08 3.24 -0.37 2.05 -4.23 -1.26 -4.96 115.64 118.18 2bun s THR 12 Ca 0.60 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2bun s THR 12 Cb -0.05 -3.21 0.18 0.00 1.34 0.00 0.00 72.50 70.76 2bun s THR 12 CO -0.02 -0.67 0.81 -0.83 -0.54 0.00 0.00 174.62 173.37 2bun s GLY 13 N 1.76 -1.39 0.00 3.99 0.00 -1.25 -4.89 107.32 105.55 2bun s GLY 13 Ca 0.08 0.67 -0.13 0.00 0.00 0.00 0.00 44.72 45.33 2bun s GLY 13 CO -0.04 3.95 0.88 1.76 0.00 0.00 0.00 173.10 179.64 2bun h SER 14 N 6.28 0.75 -2.10 1.64 0.02 -1.83 -3.34 113.55 114.97 2bun h SER 14 Ca 0.01 -0.90 -0.57 0.00 -0.84 0.00 0.00 61.79 59.49 2bun h SER 14 Cb 1.20 -0.24 -0.42 0.00 0.14 0.00 0.00 62.40 63.08 2bun h SER 14 CO 0.02 1.73 -0.73 -0.90 -1.14 0.00 0.00 176.83 175.81 2bun n ASP 15 N -3.66 4.08 -4.59 3.07 5.68 -1.26 -4.89 116.55 114.98 2bun n ASP 15 Ca -0.20 -3.60 -0.24 0.00 -0.50 0.00 0.00 54.79 50.25 2bun n ASP 15 Cb 1.09 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 40.44 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 -3.37 3.01 -0.03 -2.12 2.01 -1.11 -3.83 118.68 113.24 2bun s LEU 16 Ca 0.47 -0.73 -0.16 0.00 0.01 0.00 0.00 54.13 53.73 2bun s LEU 16 Cb 0.31 -1.56 0.03 0.00 0.01 0.00 0.00 46.19 44.98 2bun s LEU 16 CO -0.14 0.03 0.34 -0.69 1.01 0.00 0.00 176.35 176.90 2bun s VAL 17 N -2.26 0.05 -0.19 -1.59 1.01 0.15 -0.11 120.40 117.45 2bun s VAL 17 Ca 0.30 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2bun s VAL 17 Cb -0.06 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.74 2bun s VAL 17 CO 0.18 -0.21 -0.02 -0.55 0.00 0.00 0.00 175.10 174.50 2bun s SER 18 N -1.13 3.12 -0.20 3.32 0.15 0.17 -0.16 113.70 118.96 2bun s SER 18 Ca -0.12 -0.86 -0.17 0.00 0.70 0.00 0.00 55.95 55.50 2bun s SER 18 Cb -0.05 -0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 2bun s SER 18 CO 0.04 -0.25 0.47 0.00 1.20 0.00 0.00 173.24 174.71 2bun s TYR 21 N 1.11 2.46 -0.15 0.00 -0.85 -0.03 -3.74 117.35 116.16 2bun s TYR 21 Ca -0.09 -0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.19 2bun s TYR 21 Cb -0.20 -1.12 0.01 0.00 0.38 0.00 0.00 41.96 41.03 2bun s TYR 21 CO -0.05 0.63 -0.19 0.50 -1.52 0.00 0.00 175.55 174.91 2bun s ARG 22 N -3.33 3.09 0.23 -3.49 3.00 0.10 -2.09 118.95 116.47 2bun s ARG 22 Ca 0.28 -0.82 0.01 0.00 -1.00 0.00 0.00 55.73 54.21 2bun s ARG 22 Cb -0.06 -2.51 -0.05 0.00 0.00 0.00 0.00 34.95 32.33 2bun s ARG 22 CO 0.16 -0.01 0.08 0.45 0.00 0.00 0.00 175.30 175.98 2bun s SER 23 N 0.84 1.00 -0.26 -2.12 0.15 0.30 -0.49 113.70 113.11 2bun s SER 23 Ca -0.06 -1.34 0.12 0.00 0.70 0.00 0.00 55.95 55.38 2bun s SER 23 Cb -0.15 0.19 0.47 0.00 -1.71 0.00 0.00 66.02 64.81 2bun s SER 23 CO -0.02 -0.72 1.17 0.18 1.20 0.00 0.00 173.24 175.06 2bun n LEU 24 N -0.38 3.69 -0.50 3.45 7.99 -1.26 0.14 117.00 130.13 2bun n LEU 24 Ca -0.01 -4.12 0.00 0.00 -0.01 0.00 0.00 56.01 51.87 2bun n LEU 24 Cb 0.66 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 2bun n LEU 24 CO 0.36 1.70 0.00 0.00 -1.51 0.00 0.00 177.39 177.94 2bun n ALA 25 N -0.68 -1.00 -1.77 -1.18 0.00 -1.06 -4.39 120.51 110.43 2bun n ALA 25 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.37 2bun n ALA 25 Cb 0.91 -0.10 -0.00 0.00 0.00 0.00 0.00 19.45 20.25 2bun n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bun s ALA 26 N 0.00 3.06 -1.37 0.00 0.00 -0.24 -4.57 121.76 118.64 2bun s ALA 26 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.05 2bun s ALA 26 Cb 0.00 -3.43 0.11 0.00 0.00 0.00 0.00 23.12 19.80 2bun s ALA 26 CO 0.00 -0.76 0.90 -0.35 0.00 0.00 0.00 175.76 175.56 2bun n PRO 27 N -0.27 0.03 0.02 0.00 -0.04 -1.26 -0.79 135.00 132.68 2bun n PRO 27 Ca 0.06 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 2bun n PRO 27 Cb 0.46 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.81 2bun n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bun n ASP 28 N -1.32 0.37 -4.77 3.54 9.92 -1.26 -4.87 116.55 118.17 2bun n ASP 28 Ca 0.01 0.14 -0.39 0.00 -0.53 0.00 0.00 54.79 54.02 2bun n ASP 28 Cb 0.02 -0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.33 2bun n ASP 28 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2bun s LEU 29 N -3.30 4.41 0.21 0.64 1.43 0.03 -5.04 118.68 117.05 2bun s LEU 29 Ca 0.11 2.17 0.10 0.00 -1.03 0.00 0.00 54.13 55.49 2bun s LEU 29 Cb 0.17 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2bun s LEU 29 CO 0.63 -0.25 -0.15 0.42 0.23 0.00 0.00 176.35 177.23 2bun s THR 30 N -1.34 2.82 0.33 5.49 -4.23 -1.26 -5.00 115.64 112.46 2bun s THR 30 Ca 0.49 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 2bun s THR 30 Cb -0.28 -2.41 0.30 0.00 1.34 0.00 0.00 72.50 71.45 2bun s THR 30 CO 0.36 -0.18 1.89 0.25 -0.54 0.00 0.00 174.62 176.40 2bun h LEU 31 N 2.83 0.76 -1.18 4.79 5.85 -1.99 0.39 115.31 126.75 2bun h LEU 31 Ca -0.45 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 2bun h LEU 31 Cb 1.22 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2bun h LEU 31 CO 0.53 0.44 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.77 2bun h ARG 32 N 0.84 0.30 -0.51 1.25 9.65 -1.98 0.47 114.38 124.40 2bun h ARG 32 Ca 0.41 -0.09 -0.07 0.00 -1.10 0.00 0.00 59.98 59.12 2bun h ARG 32 Cb 0.46 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2bun h ARG 32 CO -0.18 0.51 0.03 0.22 2.80 0.00 0.00 179.97 183.35 2bun h ASP 33 N 0.28 0.86 -0.59 -3.80 1.82 -1.36 -0.03 116.42 113.60 2bun h ASP 33 Ca 0.05 -0.29 -0.06 0.00 -0.39 0.00 0.00 57.03 56.34 2bun h ASP 33 Cb 0.54 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 2bun h ASP 33 CO 0.04 0.94 0.14 -0.07 -1.61 0.00 0.00 179.24 178.68 2bun h LEU 34 N 0.75 0.89 -1.27 2.28 -0.00 -0.18 0.18 115.31 117.96 2bun h LEU 34 Ca 0.15 -0.23 -0.07 0.00 -0.00 0.00 0.00 57.88 57.73 2bun h LEU 34 Cb 0.48 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 2bun h LEU 34 CO 0.02 0.90 -0.32 -0.07 -0.00 0.00 0.00 178.44 178.97 2bun h LEU 35 N 0.85 0.00 0.07 1.67 -0.00 -0.76 0.26 115.31 117.40 2bun h LEU 35 Ca 0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.92 2bun h LEU 35 Cb 0.35 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.03 2bun h LEU 35 CO 0.00 0.32 -0.61 -0.78 -0.00 0.00 0.00 178.44 177.37 2bun h ASP 36 N 0.00 0.41 -0.12 -0.43 3.58 -0.63 -3.23 116.42 116.01 2bun h ASP 36 Ca -0.00 -0.89 0.05 0.00 0.42 0.00 0.00 57.03 56.60 2bun h ASP 36 Cb 0.69 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.54 2bun h ASP 36 CO 0.04 1.26 -0.32 0.40 -2.88 0.00 0.00 179.24 177.74 2bun h ILE 37 N -0.38 0.29 -0.26 2.25 2.04 0.10 -1.23 117.51 120.32 2bun h ILE 37 Ca -0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.82 2bun h ILE 37 Cb 1.42 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 2bun h ILE 37 CO 0.12 0.00 -0.09 1.62 0.00 0.00 0.00 178.15 179.79 2bun h VAL 38 N -0.40 0.67 -0.41 1.67 3.04 -0.66 0.11 116.25 120.27 2bun h VAL 38 Ca 0.09 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.77 2bun h VAL 38 Cb 0.55 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2bun h VAL 38 CO -0.34 0.00 0.20 -0.33 -1.01 0.00 0.00 177.57 176.09 2bun h GLU 39 N -0.04 0.58 -0.04 4.17 4.39 -1.51 -1.95 114.58 120.18 2bun h GLU 39 Ca 0.13 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 2bun h GLU 39 Cb 0.24 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2bun h GLU 39 CO -0.30 0.50 -0.76 0.00 -1.16 0.00 0.00 179.01 177.30 2bun h THR 40 N 0.52 1.44 -0.36 1.13 1.03 -0.91 -3.11 112.91 112.64 2bun h THR 40 Ca 0.14 -2.31 -0.14 0.00 -0.01 0.00 0.00 66.41 64.09 2bun h THR 40 Cb 0.10 2.24 -0.01 0.00 -1.07 0.00 0.00 68.15 69.42 2bun h THR 40 CO -0.02 0.68 -0.33 0.77 -0.01 0.00 0.00 175.52 176.61 2bun h SER 41 N 0.16 0.92 -0.56 0.00 4.64 -0.57 -1.34 113.55 116.80 2bun h SER 41 Ca -0.03 -0.46 0.04 0.00 -0.47 0.00 0.00 61.79 60.87 2bun h SER 41 Cb 1.33 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 2bun h SER 41 CO 0.12 1.19 0.32 1.56 -0.87 0.00 0.00 176.83 179.14 2bun h GLN 42 N 0.66 0.60 -0.57 4.77 4.20 -1.41 0.43 115.11 123.78 2bun h GLN 42 Ca 0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2bun h GLN 42 Cb 0.92 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 2bun h GLN 42 CO 0.08 0.39 0.15 0.00 -0.67 0.00 0.00 178.83 178.79 2bun h ALA 43 N 1.27 0.75 -0.18 3.87 0.00 -1.45 0.27 119.26 123.80 2bun h ALA 43 Ca 0.24 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2bun h ALA 43 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2bun h ALA 43 CO -0.13 0.45 -0.30 1.25 0.00 0.00 0.00 179.25 180.52 2bun h HIS 44 N 0.82 0.65 -0.75 0.00 -0.00 -0.85 -2.73 115.15 112.28 2bun h HIS 44 Ca 0.18 -0.22 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2bun h HIS 44 Cb 0.33 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2bun h HIS 44 CO 0.02 0.94 0.37 -0.91 -0.00 0.00 0.00 177.93 178.35 2bun h ASN 45 N 0.18 0.98 -0.60 3.26 4.21 0.14 0.55 115.58 124.29 2bun h ASN 45 Ca 0.01 -0.13 0.03 0.00 1.21 0.00 0.00 56.30 57.43 2bun h ASN 45 Cb 0.88 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 37.79 2bun h ASN 45 CO 0.07 0.83 0.36 0.00 -1.29 0.00 0.00 177.43 177.39 2bun h ALA 46 N 1.19 0.78 0.03 -0.83 0.00 -0.48 0.29 119.26 120.25 2bun h ALA 46 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bun h ALA 46 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bun h ALA 46 CO -0.03 0.07 -0.01 -0.09 0.00 0.00 0.00 179.25 179.18 2bun h ARG 47 N 0.69 -0.04 0.00 0.00 1.12 -1.11 -3.19 114.38 111.86 2bun h ARG 47 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.12 2bun h ARG 47 Cb 0.06 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2bun h ARG 47 CO -0.12 0.45 0.00 0.00 -3.11 0.00 0.00 179.97 177.19 2bun n ALA 48 N -2.38 2.02 -1.46 2.80 0.00 0.19 -4.84 120.51 116.84 2bun n ALA 48 Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 2bun n ALA 48 Cb 0.26 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.35 -0.23 -3.36 0.00 6.02 0.76 -4.57 117.38 114.65 2bun n GLN 49 Ca 0.08 0.44 -0.38 0.00 -0.01 0.00 0.00 57.00 57.13 2bun n GLN 49 Cb 0.18 -4.09 -0.06 0.00 1.02 0.00 0.00 30.24 27.29 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 -0.79 4.32 0.10 1.08 1.02 0.35 -4.58 118.68 120.18 2bun s LEU 50 Ca 0.00 0.84 0.08 0.00 0.02 0.00 0.00 54.13 55.06 2bun s LEU 50 Cb 0.00 -2.66 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 2bun s LEU 50 CO 0.00 0.08 -0.14 0.42 0.02 0.00 0.00 176.35 176.73 2bun s THR 51 N 0.23 3.12 0.20 5.49 -4.23 0.11 -4.31 115.64 116.25 2bun s THR 51 Ca 0.25 -1.33 -0.22 0.00 -1.18 0.00 0.00 61.69 59.22 2bun s THR 51 Cb -0.15 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.33 2bun s THR 51 CO 0.11 0.14 1.01 -0.83 -0.54 0.00 0.00 174.62 174.51 2bun s GLY 52 N -2.07 0.12 0.13 3.99 0.00 -0.99 0.34 107.32 108.84 2bun s GLY 52 Ca 0.19 -0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.31 2bun s GLY 52 CO 0.11 2.04 0.89 0.00 0.00 0.00 0.00 173.10 176.13 2bun s ALA 53 N -2.25 -1.63 -0.04 3.20 0.00 -1.23 -0.75 121.76 119.06 2bun s ALA 53 Ca 0.21 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 2bun s ALA 53 Cb -0.03 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2bun s ALA 53 CO 0.06 -0.94 0.09 -1.17 0.00 0.00 0.00 175.76 173.80 2bun s LEU 54 N -2.82 1.24 -0.26 0.00 0.20 -0.96 -3.00 118.68 113.08 2bun s LEU 54 Ca 0.10 0.19 -0.02 0.00 0.69 0.00 0.00 54.13 55.08 2bun s LEU 54 Cb -0.02 0.25 0.03 0.00 -0.43 0.00 0.00 46.19 46.02 2bun s LEU 54 CO -0.01 -0.09 -0.03 -0.36 -0.29 0.00 0.00 176.35 175.57 2bun s PHE 55 N 0.62 3.12 -0.13 5.38 0.08 0.14 -4.14 117.98 123.05 2bun s PHE 55 Ca -0.05 -1.55 -0.00 0.00 0.12 0.00 0.00 56.93 55.45 2bun s PHE 55 Cb -0.07 -2.09 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2bun s PHE 55 CO -0.03 -0.73 -0.10 -0.47 -0.10 0.00 0.00 175.22 173.80 2bun s TYR 56 N 1.33 1.74 -0.16 0.36 6.14 -1.26 0.08 117.35 125.58 2bun s TYR 56 Ca -0.01 -0.94 -0.25 0.00 0.64 0.00 0.00 57.07 56.51 2bun s TYR 56 Cb -0.17 -1.37 0.06 0.00 0.42 0.00 0.00 41.96 40.90 2bun s TYR 56 CO -0.03 -0.58 0.65 -1.12 0.64 0.00 0.00 175.55 175.11 2bun s SER 57 N 1.63 -0.65 -1.30 4.32 0.01 -0.92 -4.93 113.70 111.86 2bun s SER 57 Ca 0.05 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2bun s SER 57 Cb -0.13 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.10 2bun s SER 57 CO -0.09 -0.38 0.00 0.00 0.41 0.00 0.00 173.24 173.18 2bun n GLN 58 N 1.98 -1.18 -0.98 12.44 6.02 -1.26 -0.85 117.38 133.55 2bun n GLN 58 Ca -0.16 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 2bun n GLN 58 Cb 0.56 -5.06 0.00 0.00 1.02 0.00 0.00 30.24 26.76 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bun n GLY 59 N -0.82 0.71 3.77 1.08 0.00 -1.26 -5.03 105.19 103.64 2bun n GLY 59 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2bun n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bun s VAL 60 N -2.82 4.63 -0.16 1.61 -7.23 -0.03 -2.57 120.40 113.83 2bun s VAL 60 Ca 0.00 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.65 2bun s VAL 60 Cb 0.00 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 2bun s VAL 60 CO 0.00 0.32 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.68 2bun s PHE 61 N -1.21 2.94 -0.21 2.82 0.08 0.12 -2.17 117.98 120.34 2bun s PHE 61 Ca 0.24 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.76 2bun s PHE 61 Cb -0.12 -1.95 0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2bun s PHE 61 CO 0.15 -0.20 -0.14 0.12 -0.10 0.00 0.00 175.22 175.05 2bun s PHE 62 N 0.59 2.79 -0.01 0.36 5.36 0.11 -0.54 117.98 126.64 2bun s PHE 62 Ca -0.04 -1.82 0.00 0.00 -0.96 0.00 0.00 56.93 54.10 2bun s PHE 62 Cb -0.15 -1.82 0.01 0.00 -0.34 0.00 0.00 43.02 40.73 2bun s PHE 62 CO 0.03 -0.80 0.00 -1.14 -1.46 0.00 0.00 175.22 171.85 2bun s GLN 63 N 1.27 0.08 0.12 10.12 -0.44 -0.89 0.28 119.66 130.21 2bun s GLN 63 Ca -0.01 0.04 -0.03 0.00 -2.50 0.00 0.00 55.36 52.85 2bun s GLN 63 Cb -0.16 -0.18 -0.03 0.00 -1.64 0.00 0.00 33.01 31.00 2bun s GLN 63 CO -0.09 -0.05 0.10 1.67 0.50 0.00 0.00 175.29 177.42 2bun s TRP 64 N 0.42 0.65 -0.02 1.67 -2.14 -1.16 -0.85 118.94 117.52 2bun s TRP 64 Ca -0.04 -1.05 -0.00 0.00 2.66 0.00 0.00 56.10 57.67 2bun s TRP 64 Cb -0.06 -0.34 0.02 0.00 -3.10 0.00 0.00 33.47 30.00 2bun s TRP 64 CO -0.01 -0.54 0.03 -0.48 -2.66 0.00 0.00 176.95 173.28 2bun s LEU 65 N -3.00 1.34 -0.20 -4.66 2.34 -0.13 -3.50 118.68 110.88 2bun s LEU 65 Ca 0.18 0.04 -0.05 0.00 0.06 0.00 0.00 54.13 54.37 2bun s LEU 65 Cb 0.06 -0.03 -0.02 0.00 -0.56 0.00 0.00 46.19 45.64 2bun s LEU 65 CO -0.01 -0.09 -0.01 -1.61 -1.06 0.00 0.00 176.35 173.56 2bun s GLU 66 N 0.75 3.59 0.18 1.48 2.02 0.15 -1.13 118.70 125.74 2bun s GLU 66 Ca -0.06 -0.54 -0.23 0.00 0.02 0.00 0.00 54.97 54.17 2bun s GLU 66 Cb -0.09 -3.05 0.07 0.00 0.10 0.00 0.00 34.13 31.16 2bun s GLU 66 CO -0.02 0.01 1.02 0.20 0.02 0.00 0.00 175.26 176.48 2bun s GLY 67 N 1.00 0.05 0.09 -1.39 0.00 0.77 0.03 107.32 107.88 2bun s GLY 67 Ca 0.01 -0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.18 2bun s GLY 67 CO 0.01 1.80 1.44 -1.58 0.00 0.00 0.00 173.10 174.77 2bun s HIS 68 N -2.39 3.07 0.10 1.90 2.46 -1.25 0.30 115.29 119.48 2bun s HIS 68 Ca 0.20 0.83 -0.15 0.00 0.47 0.00 0.00 55.06 56.41 2bun s HIS 68 Cb -0.02 -3.73 0.02 0.00 -0.13 0.00 0.00 32.58 28.71 2bun s HIS 68 CO 0.05 -2.65 0.85 -2.30 -2.47 0.00 0.00 174.74 168.22 2bun n PRO 69 N 4.39 -0.21 0.24 2.88 -0.01 -1.25 0.20 135.00 141.24 2bun n PRO 69 Ca 0.12 0.84 0.12 0.00 -0.01 0.00 0.00 63.50 64.57 2bun n PRO 69 Cb 0.42 -1.24 0.55 0.00 -0.01 0.00 0.00 33.50 33.22 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 0.43 1.05 -0.23 3.55 0.00 -1.95 0.69 119.26 122.81 2bun h ALA 70 Ca 0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2bun h ALA 70 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bun h ALA 70 CO -0.53 0.21 -0.46 0.00 0.00 0.00 0.00 179.25 178.47 2bun h ALA 71 N 1.83 0.36 -0.54 0.00 0.00 -0.60 0.27 119.26 120.59 2bun h ALA 71 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2bun h ALA 71 Cb 0.64 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2bun h ALA 71 CO 0.02 0.51 0.23 0.28 0.00 0.00 0.00 179.25 180.29 2bun h VAL 72 N 0.43 1.21 -0.14 0.00 2.07 -0.81 0.17 116.25 119.18 2bun h VAL 72 Ca 0.01 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 2bun h VAL 72 Cb 1.07 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2bun h VAL 72 CO 0.10 0.25 -0.59 0.00 0.02 0.00 0.00 177.57 177.35 2bun h ALA 73 N 1.07 0.70 -0.40 1.67 0.00 -0.82 0.69 119.26 122.18 2bun h ALA 73 Ca 0.18 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2bun h ALA 73 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2bun h ALA 73 CO -0.02 0.71 0.23 1.49 0.00 0.00 0.00 179.25 181.66 2bun h GLU 74 N 0.36 0.45 0.22 0.00 4.22 -0.00 0.41 114.58 120.24 2bun h GLU 74 Ca -0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 2bun h GLU 74 Cb 1.14 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2bun h GLU 74 CO 0.11 0.30 -0.12 0.28 -2.18 0.00 0.00 179.01 177.39 2bun h VAL 75 N 0.46 0.75 -0.39 0.32 2.07 -0.42 -1.54 116.25 117.49 2bun h VAL 75 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 2bun h VAL 75 Cb 0.02 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.45 2bun h VAL 75 CO -0.08 0.00 -0.22 0.24 0.02 0.00 0.00 177.57 177.53 2bun h MET 76 N -0.32 -0.14 -0.16 1.57 2.86 0.11 0.23 114.93 119.08 2bun h MET 76 Ca -0.03 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2bun h MET 76 Cb 0.25 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2bun h MET 76 CO 0.04 -0.10 -0.01 0.77 1.06 0.00 0.00 176.91 178.67 2bun h SER 77 N -0.15 0.21 0.59 1.22 0.02 -0.11 0.61 113.55 115.94 2bun h SER 77 Ca 0.19 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 2bun h SER 77 Cb 0.44 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2bun h SER 77 CO -0.48 0.27 -0.79 0.45 -1.14 0.00 0.00 176.83 175.14 2bun h HIS 78 N 0.23 0.22 0.03 3.45 3.86 -0.11 -3.35 115.15 119.48 2bun h HIS 78 Ca 0.06 -0.11 -0.14 0.00 -1.16 0.00 0.00 60.37 59.02 2bun h HIS 78 Cb 0.19 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2bun h HIS 78 CO 0.00 0.88 -0.72 0.82 0.86 0.00 0.00 177.93 179.77 2bun h ILE 79 N 0.09 1.36 0.00 2.45 2.04 0.84 -3.37 117.51 120.92 2bun h ILE 79 Ca -0.03 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.51 2bun h ILE 79 Cb 1.38 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.35 2bun h ILE 79 CO 0.12 0.54 0.00 0.00 0.00 0.00 0.00 178.15 178.80 2bun n GLN 80 N -4.39 0.04 -0.65 2.37 1.13 0.20 -0.51 117.38 115.55 2bun n GLN 80 Ca -0.20 0.04 0.07 0.00 -1.94 0.00 0.00 57.00 54.97 2bun n GLN 80 Cb 0.65 -1.50 0.34 0.00 0.11 0.00 0.00 30.24 29.83 2bun n GLN 80 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2bun n ARG 81 N -1.04 3.86 0.00 -1.09 5.12 -1.26 -4.95 116.66 117.30 2bun n ARG 81 Ca 0.01 -2.63 0.00 0.00 -1.93 0.00 0.00 57.85 53.30 2bun n ARG 81 Cb 0.00 -1.98 0.00 0.00 -1.16 0.00 0.00 32.46 29.33 2bun n ARG 81 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2bun n ASP 82 N 0.80 0.00 0.00 0.55 5.75 0.33 -4.99 116.55 118.98 2bun n ASP 82 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 2bun n ASP 82 Cb 0.92 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2bun n ARG 83 N 0.00 0.00 0.25 0.11 1.85 -1.26 -5.02 116.66 112.60 2bun n ARG 83 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 2bun n ARG 83 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 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 -0.68 -4.17 2.89 3.08 -1.95 -3.42 114.38 110.13 2bun h ARG 84 Ca 0.00 0.05 -0.75 0.00 0.07 0.00 0.00 59.98 59.35 2bun h ARG 84 Cb 0.00 0.15 -0.25 0.00 0.08 0.00 0.00 29.97 29.95 2bun h ARG 84 CO 0.00 -0.45 -0.28 -3.38 -1.07 0.00 0.00 179.97 174.79 2bun s HIS 85 N -4.68 3.30 0.00 3.04 -3.43 -1.26 -1.08 115.29 111.18 2bun s HIS 85 Ca -0.11 -1.42 0.00 0.00 -0.80 0.00 0.00 55.06 52.73 2bun s HIS 85 Cb 0.02 -3.65 0.00 0.00 -1.43 0.00 0.00 32.58 27.52 2bun s HIS 85 CO 0.34 -0.99 0.00 0.43 -2.00 0.00 0.00 174.74 172.52 2bun n SER 86 N 5.15 0.00 0.00 7.38 7.64 -1.26 -2.09 113.62 130.44 2bun n SER 86 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2bun n SER 86 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2bun n SER 86 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2bun n ASN 87 N -1.12 1.41 -3.47 6.43 3.02 -1.26 -4.90 115.26 115.36 2bun n ASN 87 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2bun n ASN 87 Cb 0.00 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.70 -2.46 -2.78 2.41 3.14 -0.89 -4.86 118.33 112.20 2bun n VAL 88 Ca 0.00 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2bun n VAL 88 Cb 0.08 -2.19 -0.02 0.00 -1.06 0.00 0.00 33.84 30.65 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 -4.17 3.77 0.00 1.45 2.02 0.36 -4.81 118.70 117.31 2bun s GLU 89 Ca 0.01 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.19 2bun s GLU 89 Cb -0.00 -5.17 0.00 0.00 0.10 0.00 0.00 34.13 29.06 2bun s GLU 89 CO 0.68 -1.97 0.88 -0.89 0.02 0.00 0.00 175.26 173.98 2bun n ILE 90 N 5.82 0.00 0.00 -1.63 2.08 -1.26 0.03 119.36 124.40 2bun n ILE 90 Ca 0.33 1.38 0.00 0.00 0.56 0.00 0.00 62.75 65.02 2bun n ILE 90 Cb 0.48 -2.09 0.00 0.00 -0.75 0.00 0.00 39.64 37.28 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 -2.15 0.00 -3.83 1.39 4.77 -1.26 -4.01 117.00 111.91 2bun n LEU 91 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 2bun n LEU 91 Cb 0.00 -0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 40.66 2bun n LEU 91 CO 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 175.66 2bun s ALA 92 N -0.52 1.27 -0.19 -1.18 0.00 -1.25 -5.06 121.76 114.83 2bun s ALA 92 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 2bun s ALA 92 Cb 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 22.05 2bun s ALA 92 CO 0.00 -0.93 0.02 -1.21 0.00 0.00 0.00 175.76 173.64 2bun s GLU 93 N 1.73 0.78 -0.02 0.00 2.02 -1.26 -0.40 118.70 121.56 2bun s GLU 93 Ca -0.00 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.55 2bun s GLU 93 Cb -0.16 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 2bun s GLU 93 CO -0.07 -0.62 -0.12 -1.83 0.02 0.00 0.00 175.26 172.63 2bun s GLU 94 N 1.80 1.08 -0.18 1.61 -1.05 -0.45 -4.95 118.70 116.57 2bun s GLU 94 Ca -0.01 -0.43 -0.29 0.00 -0.15 0.00 0.00 54.97 54.08 2bun s GLU 94 Cb -0.17 -1.02 -0.01 0.00 -0.44 0.00 0.00 34.13 32.48 2bun s GLU 94 CO -0.08 0.23 1.25 0.45 0.95 0.00 0.00 175.26 178.06 2bun s SER 95 N -0.15 6.94 0.46 0.83 0.15 -1.26 0.41 113.70 121.08 2bun s SER 95 Ca 0.02 1.64 0.05 0.00 0.70 0.00 0.00 55.95 58.36 2bun s SER 95 Cb -0.06 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2bun s SER 95 CO -0.00 -0.78 0.15 0.27 1.20 0.00 0.00 173.24 174.08 2bun s ILE 96 N 3.54 1.84 -0.11 6.45 -4.36 0.84 -4.87 121.20 124.53 2bun s ILE 96 Ca 0.54 -1.78 0.20 0.00 -0.26 0.00 0.00 60.65 59.35 2bun s ILE 96 Cb -0.21 -2.63 -0.25 0.00 1.25 0.00 0.00 42.46 40.63 2bun s ILE 96 CO 0.14 0.00 0.51 0.00 0.24 0.00 0.00 174.94 175.83 2bun n ALA 97 N -1.30 2.35 -1.23 2.27 0.00 -1.25 -2.76 120.51 118.57 2bun n ALA 97 Ca -0.06 -0.67 0.16 0.00 0.00 0.00 0.00 53.44 52.86 2bun n ALA 97 Cb 0.66 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.52 -2.48 0.00 0.00 4.81 -1.26 -3.74 118.16 112.97 2bun n LYS 98 Ca -0.11 1.76 0.00 0.00 -0.87 0.00 0.00 58.31 59.09 2bun n LYS 98 Cb 0.74 -3.04 0.00 0.00 0.02 0.00 0.00 35.03 32.75 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 -3.73 0.00 -0.28 1.64 3.00 -1.26 -4.82 116.66 111.21 2bun n ARG 99 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.86 2bun n ARG 99 Cb 0.64 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.20 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bun h ARG 100 N 0.00 -0.01 -5.79 -0.14 3.08 -2.02 -3.41 114.38 106.09 2bun h ARG 100 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 2bun h ARG 100 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.88 2bun h ARG 100 CO 0.00 -0.01 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.06 2bun s PHE 101 N -6.23 1.72 -0.18 3.04 0.40 -1.26 -5.00 117.98 110.47 2bun s PHE 101 Ca -0.15 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.71 2bun s PHE 101 Cb 0.22 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 2bun s PHE 101 CO 0.75 0.30 0.27 0.00 0.70 0.00 0.00 175.22 177.24 2bun n ALA 102 N 0.26 2.37 -3.00 5.36 0.00 -1.26 -4.80 120.51 119.43 2bun n ALA 102 Ca -0.13 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 2bun n ALA 102 Cb 0.57 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.86 -0.19 0.19 0.00 0.00 -1.26 -4.86 107.32 100.33 2bun s GLY 103 Ca 0.02 0.01 -0.20 0.00 0.00 0.00 0.00 44.72 44.55 2bun s GLY 103 CO 0.07 -0.23 0.70 0.86 0.00 0.00 0.00 173.10 174.50 2bun s TRP 104 N -3.07 3.70 0.24 1.90 -0.00 -1.24 -2.34 118.94 118.13 2bun s TRP 104 Ca -0.01 1.38 0.11 0.00 -0.00 0.00 0.00 56.10 57.58 2bun s TRP 104 Cb 0.01 -2.60 -0.05 0.00 -0.00 0.00 0.00 33.47 30.83 2bun s TRP 104 CO -0.07 0.40 -0.20 -1.01 -0.00 0.00 0.00 176.95 176.07 2bun s HIS 105 N -1.42 2.19 -0.09 5.86 3.76 0.07 -4.81 115.29 120.85 2bun s HIS 105 Ca 0.40 -0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 54.86 2bun s HIS 105 Cb -0.18 -0.99 0.03 0.00 1.11 0.00 0.00 32.58 32.54 2bun s HIS 105 CO 0.21 0.60 0.23 1.41 -0.85 0.00 0.00 174.74 176.35 2bun s MET 106 N -3.29 0.26 0.01 1.40 1.75 -1.26 -2.25 119.30 115.92 2bun s MET 106 Ca 0.26 0.35 -0.19 0.00 -1.25 0.00 0.00 55.69 54.86 2bun s MET 106 Cb -0.05 0.10 -0.26 0.00 2.84 0.00 0.00 34.83 37.46 2bun s MET 106 CO 0.12 -0.05 1.07 1.96 -0.65 0.00 0.00 175.02 177.48 2bun h GLN 107 N 5.96 0.47 -6.19 4.11 4.20 -1.96 -3.44 115.11 118.26 2bun h GLN 107 Ca -0.28 -0.57 -0.56 0.00 0.06 0.00 0.00 58.65 57.30 2bun h GLN 107 Cb 1.19 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 29.11 2bun h GLN 107 CO 0.36 1.21 0.89 -0.51 -0.67 0.00 0.00 178.83 180.12 2bun s LEU 108 N -8.13 4.21 0.00 1.46 1.43 -1.26 -4.94 118.68 111.45 2bun s LEU 108 Ca -0.12 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2bun s LEU 108 Cb 0.04 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2bun s LEU 108 CO 0.86 -0.75 0.00 -1.54 0.23 0.00 0.00 176.35 175.14 2bun n SER 109 N 6.43 0.79 -4.56 2.29 3.41 -1.26 -4.88 113.62 115.85 2bun n SER 109 Ca 0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 2bun n SER 109 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bun n SER 111 N 15.16 -3.81 -0.06 0.00 7.64 -1.26 -4.86 113.62 126.43 2bun n SER 111 Ca 0.42 0.47 -0.07 0.00 1.01 0.00 0.00 58.87 60.70 2bun n SER 111 Cb 0.46 -2.07 -0.10 0.00 -1.01 0.00 0.00 64.21 61.49 2bun n SER 111 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2bun n GLU 112 N -3.29 1.79 -1.15 1.43 -0.00 -1.26 -4.93 120.64 113.23 2bun n GLU 112 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 2bun n GLU 112 Cb 0.30 -1.32 0.00 0.00 -0.00 0.00 0.00 31.44 30.41 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bun n ALA 113 N -2.52 -2.69 0.00 -1.84 0.00 -1.26 -4.72 120.51 107.48 2bun n ALA 113 Ca -0.21 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2bun n ALA 113 Cb 0.90 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2bun n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bun n ASP 114 N 0.60 0.00 -0.04 0.00 2.03 -1.26 -4.61 116.55 113.26 2bun n ASP 114 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 2bun n ASP 114 Cb 0.00 0.00 0.79 0.00 -0.72 0.00 0.00 41.12 41.19 2bun n ASP 114 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2bun n MET 115 N 0.00 1.06 0.10 -0.67 0.00 -1.26 -3.67 117.12 112.68 2bun n MET 115 Ca 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 57.70 57.81 2bun n MET 115 Cb 0.00 -1.43 0.75 0.00 0.00 0.00 0.00 33.22 32.54 2bun n MET 115 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2bun h ARG 116 N 0.19 0.00 0.00 3.17 0.11 -1.94 -0.28 114.38 115.63 2bun h ARG 116 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bun h ARG 116 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2bun h ARG 116 CO 0.00 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 178.94 2bun n SER 117 N -3.96 0.10 -1.26 0.08 3.41 -1.24 0.29 113.62 111.04 2bun n SER 117 Ca 0.06 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 2bun n SER 117 Cb 0.51 -0.54 0.30 0.00 -0.26 0.00 0.00 64.21 64.21 2bun n SER 117 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bun n LEU 118 N -1.61 3.67 0.00 1.04 4.77 -0.11 -4.78 117.00 119.98 2bun n LEU 118 Ca 0.03 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 2bun n LEU 118 Cb 0.18 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2bun n LEU 118 CO 0.14 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2bun n GLY 119 N 1.59 0.41 0.43 -0.72 0.00 -0.99 -4.89 105.19 101.02 2bun n GLY 119 Ca 0.23 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.93 -7.36 0.99 5.85 -1.53 -3.33 115.31 109.00 2bun h LEU 120 Ca 0.00 0.03 -0.78 0.00 0.84 0.00 0.00 57.88 57.97 2bun h LEU 120 Cb 0.00 0.24 -0.30 0.00 0.37 0.00 0.00 40.66 40.97 2bun h LEU 120 CO 0.00 -0.62 0.41 0.00 -0.34 0.00 0.00 178.44 177.89 2bun n ALA 121 N -2.60 4.35 0.01 1.25 0.00 0.15 -4.83 120.51 118.84 2bun n ALA 121 Ca -0.14 -4.69 -0.13 0.00 0.00 0.00 0.00 53.44 48.49 2bun n ALA 121 Cb 0.43 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 2bun n ALA 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2bun h GLU 122 N 6.24 -0.07 -4.26 0.00 4.57 -1.78 -3.40 114.58 115.88 2bun h GLU 122 Ca 0.18 0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.19 2bun h GLU 122 Cb 0.81 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.28 2bun h GLU 122 CO 1.05 0.42 -0.47 -1.12 -1.18 0.00 0.00 179.01 177.71 2bun s SER 123 N -5.63 0.11 -0.24 1.04 0.01 -1.26 -5.06 113.70 102.67 2bun s SER 123 Ca -0.15 -1.19 -0.16 0.00 1.31 0.00 0.00 55.95 55.76 2bun s SER 123 Cb 0.01 0.42 -0.10 0.00 0.21 0.00 0.00 66.02 66.56 2bun s SER 123 CO 0.63 -0.89 -0.34 0.54 0.41 0.00 0.00 173.24 173.59 2bun n ARG 124 N -0.26 0.56 0.00 12.44 5.12 -1.26 -5.19 116.66 128.07 2bun n ARG 124 Ca -0.01 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 2bun n ARG 124 Cb 0.64 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 2bun n ARG 124 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64