#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 1.57 0.48 3.23 2.56 -1.26 -5.12 118.70 120.16 2bun s GLU 6 Ca 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 54.97 53.30 2bun s GLU 6 Cb 0.00 -1.89 -0.09 0.00 2.00 0.00 0.00 34.13 34.15 2bun s GLU 6 CO 0.00 0.41 1.02 0.00 -0.56 0.00 0.00 175.26 176.13 2bun s ALA 7 N -1.59 2.91 0.62 6.30 0.00 -1.26 -5.03 121.76 123.71 2bun s ALA 7 Ca 0.20 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.56 2bun s ALA 7 Cb -0.08 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2bun s ALA 7 CO 0.10 -0.22 1.08 0.34 0.00 0.00 0.00 175.76 177.05 2bun s ASP 8 N -2.05 5.55 0.46 0.00 2.15 -1.26 -4.94 116.67 116.59 2bun s ASP 8 Ca 0.66 1.88 0.31 0.00 0.43 0.00 0.00 52.55 55.83 2bun s ASP 8 Cb -0.15 -2.54 1.22 0.00 -0.30 0.00 0.00 42.92 41.16 2bun s ASP 8 CO 0.19 -1.33 1.90 -0.37 -0.17 0.00 0.00 175.17 175.39 2bun h VAL 9 N 0.30 0.00 -5.71 1.11 -1.51 -2.09 -3.48 116.25 104.87 2bun h VAL 9 Ca -0.47 -0.45 -0.13 0.00 -1.23 0.00 0.00 66.70 64.42 2bun h VAL 9 Cb 1.23 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2bun h VAL 9 CO 0.56 0.00 -0.55 0.35 -1.23 0.00 0.00 177.57 176.70 2bun n THR 10 N -2.85 -8.65 -2.19 7.19 -2.24 -1.26 -4.89 114.28 99.39 2bun n THR 10 Ca 0.01 0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.68 2bun n THR 10 Cb 0.30 -6.02 -0.03 0.00 -2.10 0.00 0.00 70.33 62.48 2bun n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bun s MET 11 N -2.99 4.30 0.21 -0.78 0.23 -1.26 -4.88 119.30 114.13 2bun s MET 11 Ca 0.17 2.03 0.25 0.00 -1.03 0.00 0.00 55.69 57.12 2bun s MET 11 Cb -0.04 -3.40 0.64 0.00 -1.53 0.00 0.00 34.83 30.50 2bun s MET 11 CO 0.80 -0.50 1.63 1.79 -2.03 0.00 0.00 175.02 176.71 2bun h THR 12 N 4.57 0.00 -4.91 3.16 1.35 -1.95 -3.49 112.91 111.64 2bun h THR 12 Ca -0.40 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2bun h THR 12 Cb 1.20 1.42 -0.05 0.00 -1.73 0.00 0.00 68.15 68.98 2bun h THR 12 CO 0.88 0.00 -1.15 0.61 -0.25 0.00 0.00 175.52 175.61 2bun n GLY 13 N 1.30 -4.59 0.13 5.82 0.00 -1.26 -4.42 105.19 102.16 2bun n GLY 13 Ca 0.05 0.92 -0.22 0.00 0.00 0.00 0.00 46.02 46.77 2bun n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bun n SER 14 N 1.02 2.02 -2.50 1.61 3.41 -1.26 -3.96 113.62 113.96 2bun n SER 14 Ca -0.16 0.17 -0.36 0.00 -0.26 0.00 0.00 58.87 58.27 2bun n SER 14 Cb 0.25 -0.76 0.06 0.00 -0.26 0.00 0.00 64.21 63.50 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bun n ASP 15 N -3.70 7.37 -4.38 4.04 5.75 -1.26 -4.78 116.55 119.60 2bun n ASP 15 Ca -0.39 -3.80 -0.27 0.00 -0.01 0.00 0.00 54.79 50.33 2bun n ASP 15 Cb 0.94 -0.95 -0.12 0.00 -1.03 0.00 0.00 41.12 39.96 2bun n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2bun s LEU 16 N -3.88 2.37 -0.05 -2.12 2.01 -1.21 -3.85 118.68 111.94 2bun s LEU 16 Ca 0.59 -0.79 -0.16 0.00 0.01 0.00 0.00 54.13 53.79 2bun s LEU 16 Cb 0.48 -1.11 0.03 0.00 0.01 0.00 0.00 46.19 45.60 2bun s LEU 16 CO -0.14 0.12 0.36 -0.69 1.01 0.00 0.00 176.35 177.00 2bun s VAL 17 N -1.38 0.04 -0.10 -1.59 1.01 0.12 -0.17 120.40 118.34 2bun s VAL 17 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2bun s VAL 17 Cb -0.09 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2bun s VAL 17 CO 0.07 -0.17 -0.08 -0.94 0.00 0.00 0.00 175.10 173.98 2bun s SER 18 N -0.91 1.97 -0.19 3.32 1.04 0.11 -0.87 113.70 118.18 2bun s SER 18 Ca -0.10 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 2bun s SER 18 Cb -0.04 -0.79 -0.05 0.00 0.10 0.00 0.00 66.02 65.24 2bun s SER 18 CO 0.04 -0.08 0.21 0.00 0.98 0.00 0.00 173.24 174.38 2bun s TYR 21 N 1.21 2.43 -0.21 0.00 -0.85 -0.33 -3.49 117.35 116.11 2bun s TYR 21 Ca -0.05 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 2bun s TYR 21 Cb -0.20 -1.28 0.02 0.00 0.38 0.00 0.00 41.96 40.89 2bun s TYR 21 CO -0.02 0.40 -0.15 0.50 -1.52 0.00 0.00 175.55 174.76 2bun s ARG 22 N -2.25 2.89 0.42 -3.49 3.00 0.14 -1.66 118.95 118.01 2bun s ARG 22 Ca 0.18 -0.91 0.07 0.00 -1.00 0.00 0.00 55.73 54.06 2bun s ARG 22 Cb -0.10 -2.72 -0.06 0.00 0.00 0.00 0.00 34.95 32.07 2bun s ARG 22 CO 0.09 -0.29 0.07 -1.12 0.00 0.00 0.00 175.30 174.05 2bun s SER 23 N 1.28 4.09 -0.40 -2.12 0.01 0.17 -1.36 113.70 115.38 2bun s SER 23 Ca 0.02 -1.30 0.08 0.00 1.31 0.00 0.00 55.95 56.06 2bun s SER 23 Cb -0.15 -0.33 0.43 0.00 0.21 0.00 0.00 66.02 66.18 2bun s SER 23 CO -0.10 -0.53 1.09 0.18 0.41 0.00 0.00 173.24 174.30 2bun n LEU 24 N -1.10 4.17 0.00 2.44 7.99 -1.26 -0.18 117.00 129.06 2bun n LEU 24 Ca -0.05 -4.90 0.00 0.00 -0.01 0.00 0.00 56.01 51.05 2bun n LEU 24 Cb 0.66 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 2bun n LEU 24 CO 0.47 2.10 0.00 0.00 -1.51 0.00 0.00 177.39 178.45 2bun n ALA 25 N -0.44 -0.43 -1.75 -1.18 0.00 -0.88 -4.42 120.51 111.42 2bun n ALA 25 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 2bun n ALA 25 Cb 0.72 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.18 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 0.53 1.90 0.00 0.00 0.00 0.14 -4.73 120.51 118.36 2bun n ALA 26 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2bun n ALA 26 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 -0.16 0.00 -0.69 0.00 -0.04 -1.26 -1.39 135.00 131.46 2bun n PRO 27 Ca 0.05 0.48 0.09 0.00 -0.04 0.00 0.00 63.50 64.08 2bun n PRO 27 Cb 0.41 -1.52 0.37 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.48 5.02 -4.84 3.54 5.75 -1.26 -4.92 116.55 118.35 2bun n ASP 28 Ca -0.00 -2.61 -0.33 0.00 -0.01 0.00 0.00 54.79 51.85 2bun n ASP 28 Cb 0.02 -0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 39.44 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 3.99 0.33 -2.12 1.43 -0.48 -5.05 118.68 114.62 2bun s LEU 29 Ca 0.52 1.45 0.10 0.00 -1.03 0.00 0.00 54.13 55.16 2bun s LEU 29 Cb 0.35 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 2bun s LEU 29 CO 0.22 -0.29 -0.10 0.42 0.23 0.00 0.00 176.35 176.83 2bun s THR 30 N -2.10 2.40 0.31 5.49 -4.23 -1.26 -5.00 115.64 111.25 2bun s THR 30 Ca 0.57 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 2bun s THR 30 Cb -0.10 -2.60 0.24 0.00 1.34 0.00 0.00 72.50 71.39 2bun s THR 30 CO 0.17 -0.25 1.95 0.25 -0.54 0.00 0.00 174.62 176.20 2bun h LEU 31 N 2.04 0.88 -1.17 4.79 5.85 -1.99 -1.12 115.31 124.59 2bun h LEU 31 Ca -0.42 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 2bun h LEU 31 Cb 1.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2bun h LEU 31 CO 0.67 0.67 -0.33 -0.09 -0.34 0.00 0.00 178.44 179.02 2bun h ARG 32 N 1.01 0.00 -0.06 1.25 9.65 -1.97 -0.23 114.38 124.04 2bun h ARG 32 Ca 0.27 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.98 2bun h ARG 32 Cb -0.05 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2bun h ARG 32 CO -0.05 0.33 -0.68 0.22 2.80 0.00 0.00 179.97 182.59 2bun h ASP 33 N 0.00 0.30 -0.59 -3.80 3.58 -1.64 0.19 116.42 114.45 2bun h ASP 33 Ca -0.00 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.15 2bun h ASP 33 Cb 0.76 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2bun h ASP 33 CO 0.04 0.89 -0.04 -0.07 -2.88 0.00 0.00 179.24 177.19 2bun h LEU 34 N 0.18 1.06 -0.47 2.28 -0.00 0.01 0.44 115.31 118.81 2bun h LEU 34 Ca -0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2bun h LEU 34 Cb 1.22 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2bun h LEU 34 CO 0.11 1.13 0.00 -0.07 -0.00 0.00 0.00 178.44 179.60 2bun h LEU 35 N 0.97 0.00 0.08 1.67 -0.00 -1.01 -0.29 115.31 116.74 2bun h LEU 35 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.90 2bun h LEU 35 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2bun h LEU 35 CO 0.04 0.00 -0.69 -0.78 -0.00 0.00 0.00 178.44 177.01 2bun h ASP 36 N 0.00 0.28 -0.45 -0.43 1.82 -0.01 -3.33 116.42 114.30 2bun h ASP 36 Ca 0.00 -0.92 0.09 0.00 -0.39 0.00 0.00 57.03 55.81 2bun h ASP 36 Cb 0.67 -0.09 -0.09 0.00 0.68 0.00 0.00 39.33 40.50 2bun h ASP 36 CO 0.00 1.31 -0.20 0.40 -1.61 0.00 0.00 179.24 179.14 2bun h ILE 37 N -0.60 0.39 -0.83 2.25 2.04 0.32 0.13 117.51 121.21 2bun h ILE 37 Ca -0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2bun h ILE 37 Cb 1.44 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2bun h ILE 37 CO 0.07 0.00 0.54 1.62 0.00 0.00 0.00 178.15 180.38 2bun h VAL 38 N -0.11 1.05 -0.00 1.67 3.04 -1.23 -0.96 116.25 119.72 2bun h VAL 38 Ca 0.21 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 2bun h VAL 38 Cb 0.44 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 2bun h VAL 38 CO -0.52 0.17 -0.16 -0.33 -1.01 0.00 0.00 177.57 175.72 2bun h GLU 39 N 0.92 0.11 0.00 4.17 4.39 -1.34 -2.18 114.58 120.65 2bun h GLU 39 Ca 0.36 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 2bun h GLU 39 Cb 0.22 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2bun h GLU 39 CO -0.13 0.87 -0.07 0.00 -1.16 0.00 0.00 179.01 178.53 2bun h THR 40 N -0.60 0.37 0.00 1.13 1.03 -0.58 -1.70 112.91 112.55 2bun h THR 40 Ca -0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 2bun h THR 40 Cb 0.93 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 2bun h THR 40 CO 0.03 0.07 -0.11 0.77 -0.01 0.00 0.00 175.52 176.27 2bun h SER 41 N 0.00 0.00 -0.96 0.00 4.64 -1.21 -3.35 113.55 112.67 2bun h SER 41 Ca -0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2bun h SER 41 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 2bun h SER 41 CO 0.01 0.48 0.62 0.06 -0.87 0.00 0.00 176.83 177.12 2bun h GLN 42 N -0.85 1.10 -0.51 4.77 -0.00 -1.32 0.42 115.11 118.72 2bun h GLN 42 Ca 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.50 2bun h GLN 42 Cb 0.11 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.48 27.32 2bun h GLN 42 CO 0.00 0.73 -0.00 0.00 -0.00 0.00 0.00 178.83 179.56 2bun h ALA 43 N 1.43 1.04 0.10 0.06 0.00 -1.51 0.49 119.26 120.86 2bun h ALA 43 Ca 0.41 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 2bun h ALA 43 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2bun h ALA 43 CO -0.16 0.60 -1.41 1.25 0.00 0.00 0.00 179.25 179.52 2bun h HIS 44 N 0.80 0.37 -0.34 0.00 -0.00 -1.57 -3.08 115.15 111.33 2bun h HIS 44 Ca 0.15 -0.27 -0.10 0.00 -0.00 0.00 0.00 60.37 60.16 2bun h HIS 44 Cb 0.48 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2bun h HIS 44 CO 0.03 1.28 -0.17 -0.91 -0.00 0.00 0.00 177.93 178.15 2bun h ASN 45 N 0.05 0.74 -0.67 3.26 4.21 -0.55 0.22 115.58 122.85 2bun h ASN 45 Ca -0.19 -0.41 0.03 0.00 1.21 0.00 0.00 56.30 56.94 2bun h ASN 45 Cb 1.97 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 38.93 2bun h ASN 45 CO 0.16 0.98 0.41 0.00 -1.29 0.00 0.00 177.43 177.69 2bun h ALA 46 N 0.77 0.87 -0.48 -0.83 0.00 -0.14 0.53 119.26 119.99 2bun h ALA 46 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2bun h ALA 46 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2bun h ALA 46 CO 0.05 0.15 0.19 -0.09 0.00 0.00 0.00 179.25 179.56 2bun h ARG 47 N 0.79 0.71 0.00 0.00 2.43 -1.40 -1.73 114.38 115.18 2bun h ARG 47 Ca 0.27 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2bun h ARG 47 Cb 0.05 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2bun h ARG 47 CO -0.12 0.64 0.00 0.00 -1.51 0.00 0.00 179.97 178.98 2bun n ALA 48 N -2.33 2.46 -1.76 2.80 0.00 0.76 -4.88 120.51 117.56 2bun n ALA 48 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 2bun n ALA 48 Cb 0.15 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.19 -0.53 -3.30 0.00 6.02 0.10 -4.73 117.38 113.75 2bun n GLN 49 Ca 0.16 0.50 -0.38 0.00 -0.01 0.00 0.00 57.00 57.27 2bun n GLN 49 Cb 0.18 -4.35 -0.06 0.00 1.02 0.00 0.00 30.24 27.03 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 -1.84 4.49 0.18 1.08 1.02 0.14 -4.80 118.68 118.97 2bun s LEU 50 Ca 0.00 1.22 0.11 0.00 0.02 0.00 0.00 54.13 55.47 2bun s LEU 50 Cb 0.00 -2.94 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 2bun s LEU 50 CO 0.00 0.25 -0.23 0.42 0.02 0.00 0.00 176.35 176.81 2bun s THR 51 N -1.17 2.22 0.23 5.49 -4.23 0.42 -4.07 115.64 114.53 2bun s THR 51 Ca 0.30 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.61 2bun s THR 51 Cb -0.19 -2.05 0.07 0.00 1.34 0.00 0.00 72.50 71.68 2bun s THR 51 CO 0.19 -0.15 0.97 -0.83 -0.54 0.00 0.00 174.62 174.25 2bun s GLY 52 N -2.64 0.11 0.04 3.99 0.00 -1.09 0.33 107.32 108.06 2bun s GLY 52 Ca 0.19 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.29 2bun s GLY 52 CO 0.09 1.38 0.80 0.00 0.00 0.00 0.00 173.10 175.37 2bun s ALA 53 N -2.42 -1.76 -0.00 3.20 0.00 -0.88 0.16 121.76 120.05 2bun s ALA 53 Ca 0.19 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.85 2bun s ALA 53 Cb -0.03 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.63 2bun s ALA 53 CO 0.06 -0.69 0.40 -0.48 0.00 0.00 0.00 175.76 175.05 2bun s LEU 54 N -2.48 0.46 -0.22 0.00 0.05 0.89 -1.71 118.68 115.67 2bun s LEU 54 Ca 0.03 0.17 -0.01 0.00 0.05 0.00 0.00 54.13 54.36 2bun s LEU 54 Cb -0.01 1.63 0.07 0.00 -2.05 0.00 0.00 46.19 45.82 2bun s LEU 54 CO -0.09 -0.54 0.02 -0.36 -0.55 0.00 0.00 176.35 174.82 2bun s PHE 55 N -1.66 1.55 -0.43 3.48 0.08 0.99 -1.09 117.98 120.90 2bun s PHE 55 Ca -0.11 -1.26 -0.17 0.00 0.12 0.00 0.00 56.93 55.52 2bun s PHE 55 Cb -0.03 -1.29 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 2bun s PHE 55 CO 0.03 -0.70 0.44 -0.47 -0.10 0.00 0.00 175.22 174.43 2bun s TYR 56 N 1.68 3.17 -0.34 0.36 6.14 -0.56 -1.23 117.35 126.57 2bun s TYR 56 Ca -0.01 -0.42 0.03 0.00 0.64 0.00 0.00 57.07 57.31 2bun s TYR 56 Cb -0.18 -2.93 0.10 0.00 0.42 0.00 0.00 41.96 39.37 2bun s TYR 56 CO -0.10 -0.72 0.07 -1.54 0.64 0.00 0.00 175.55 173.90 2bun s SER 57 N 1.89 4.53 0.00 4.32 1.04 -0.46 -4.74 113.70 120.27 2bun s SER 57 Ca 0.12 -2.02 0.00 0.00 0.48 0.00 0.00 55.95 54.52 2bun s SER 57 Cb -0.18 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2bun s SER 57 CO 0.13 -0.39 0.00 1.67 0.98 0.00 0.00 173.24 175.63 2bun n GLN 58 N 4.40 0.00 0.00 4.02 -0.06 -1.26 -2.08 117.38 122.40 2bun n GLN 58 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2bun n GLN 58 Cb 0.42 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.60 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bun n GLY 59 N 0.00 0.01 3.65 1.69 0.00 -1.26 -5.04 105.19 104.24 2bun n GLY 59 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 4.17 -0.39 1.61 0.11 -0.88 -2.06 120.40 121.95 2bun s VAL 60 Ca 0.00 1.37 -0.11 0.00 -2.93 0.00 0.00 61.98 60.31 2bun s VAL 60 Cb 0.00 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 2bun s VAL 60 CO 0.00 -0.29 0.23 0.12 -3.33 0.00 0.00 175.10 171.83 2bun s PHE 61 N 4.00 3.26 -0.18 1.54 5.36 0.75 -1.36 117.98 131.35 2bun s PHE 61 Ca 0.57 -1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 55.41 2bun s PHE 61 Cb -0.20 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.85 2bun s PHE 61 CO 0.19 -0.71 -0.04 0.12 -1.46 0.00 0.00 175.22 173.33 2bun s PHE 62 N 1.53 2.98 -0.02 10.12 5.36 -0.37 0.45 117.98 138.03 2bun s PHE 62 Ca 0.02 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 2bun s PHE 62 Cb -0.20 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.48 2bun s PHE 62 CO 0.06 -0.26 0.01 -1.14 -1.46 0.00 0.00 175.22 172.43 2bun s GLN 63 N 0.86 0.13 0.01 10.12 -0.44 -0.66 -0.01 119.66 129.67 2bun s GLN 63 Ca -0.01 0.09 -0.03 0.00 -2.50 0.00 0.00 55.36 52.91 2bun s GLN 63 Cb -0.15 -0.32 -0.01 0.00 -1.64 0.00 0.00 33.01 30.90 2bun s GLN 63 CO 0.01 -0.11 0.05 1.67 0.50 0.00 0.00 175.29 177.41 2bun s TRP 64 N 0.82 0.13 -0.01 1.67 -2.14 -0.70 -1.18 118.94 117.54 2bun s TRP 64 Ca -0.08 -0.28 0.03 0.00 2.66 0.00 0.00 56.10 58.43 2bun s TRP 64 Cb -0.11 -0.11 -0.01 0.00 -3.10 0.00 0.00 33.47 30.15 2bun s TRP 64 CO -0.02 -0.21 -0.11 -0.48 -2.66 0.00 0.00 176.95 173.47 2bun s LEU 65 N -1.23 2.02 -0.21 -4.66 2.34 -0.84 -2.07 118.68 114.03 2bun s LEU 65 Ca -0.13 -0.20 -0.05 0.00 0.06 0.00 0.00 54.13 53.80 2bun s LEU 65 Cb -0.08 -0.57 -0.03 0.00 -0.56 0.00 0.00 46.19 44.95 2bun s LEU 65 CO 0.00 0.14 0.01 -1.83 -1.06 0.00 0.00 176.35 173.61 2bun s GLU 66 N -0.26 3.63 0.18 1.48 -1.05 0.15 -2.04 118.70 120.80 2bun s GLU 66 Ca 0.04 -0.51 -0.22 0.00 -0.15 0.00 0.00 54.97 54.13 2bun s GLU 66 Cb -0.04 -3.12 0.08 0.00 -0.44 0.00 0.00 34.13 30.60 2bun s GLU 66 CO -0.00 -0.02 1.04 0.20 0.95 0.00 0.00 175.26 177.43 2bun s GLY 67 N 1.09 0.09 0.14 -3.83 0.00 -0.04 -0.43 107.32 104.32 2bun s GLY 67 Ca 0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.14 2bun s GLY 67 CO 0.02 2.27 1.39 -1.58 0.00 0.00 0.00 173.10 175.20 2bun s HIS 68 N -2.24 3.23 0.17 1.90 2.46 -1.26 0.14 115.29 119.68 2bun s HIS 68 Ca 0.21 0.98 -0.11 0.00 0.47 0.00 0.00 55.06 56.61 2bun s HIS 68 Cb -0.02 -3.69 0.20 0.00 -0.13 0.00 0.00 32.58 28.93 2bun s HIS 68 CO 0.05 -2.38 1.08 -2.30 -2.47 0.00 0.00 174.74 168.73 2bun n PRO 69 N 3.66 -0.14 0.18 2.88 -0.01 -1.25 -0.14 135.00 140.18 2bun n PRO 69 Ca 0.11 1.07 0.04 0.00 -0.01 0.00 0.00 63.50 64.70 2bun n PRO 69 Cb 0.42 -1.60 0.35 0.00 -0.01 0.00 0.00 33.50 32.67 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 1.05 1.18 -0.34 3.55 0.00 -1.93 0.74 119.26 123.50 2bun h ALA 70 Ca 0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2bun h ALA 70 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2bun h ALA 70 CO -0.70 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.00 2bun h ALA 71 N 1.60 0.47 -0.36 0.00 0.00 -0.92 0.21 119.26 120.26 2bun h ALA 71 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2bun h ALA 71 Cb 0.78 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2bun h ALA 71 CO 0.05 0.28 0.20 0.28 0.00 0.00 0.00 179.25 180.06 2bun h VAL 72 N 0.43 1.02 -0.22 0.00 2.07 -0.93 0.11 116.25 118.73 2bun h VAL 72 Ca 0.09 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 2bun h VAL 72 Cb 0.54 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2bun h VAL 72 CO 0.03 0.07 -0.45 0.00 0.02 0.00 0.00 177.57 177.24 2bun h ALA 73 N 1.17 0.82 -0.56 1.67 0.00 -0.61 0.65 119.26 122.41 2bun h ALA 73 Ca 0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2bun h ALA 73 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2bun h ALA 73 CO -0.08 0.66 0.18 1.49 0.00 0.00 0.00 179.25 181.50 2bun h GLU 74 N 0.44 0.86 -0.52 0.00 4.22 -0.20 0.47 114.58 119.85 2bun h GLU 74 Ca 0.03 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.29 2bun h GLU 74 Cb 0.96 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2bun h GLU 74 CO 0.09 0.78 0.34 0.28 -2.18 0.00 0.00 179.01 178.32 2bun h VAL 75 N 0.78 1.14 -0.28 0.32 2.07 -0.36 -1.17 116.25 118.75 2bun h VAL 75 Ca 0.18 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2bun h VAL 75 Cb 0.27 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2bun h VAL 75 CO -0.01 0.14 0.01 0.24 0.02 0.00 0.00 177.57 177.97 2bun h MET 76 N 0.71 0.09 -0.80 1.57 2.86 0.10 0.19 114.93 119.65 2bun h MET 76 Ca 0.19 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.90 2bun h MET 76 Cb -0.07 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 2bun h MET 76 CO -0.04 0.06 0.52 0.77 1.06 0.00 0.00 176.91 179.28 2bun h SER 77 N 0.09 0.73 0.84 1.22 0.02 0.27 0.54 113.55 117.26 2bun h SER 77 Ca 0.13 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2bun h SER 77 Cb 0.17 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.57 2bun h SER 77 CO -0.22 0.46 -0.40 0.45 -1.14 0.00 0.00 176.83 175.98 2bun h HIS 78 N 0.82 -1.04 -0.15 3.45 3.86 -0.41 -3.34 115.15 118.34 2bun h HIS 78 Ca 0.35 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 2bun h HIS 78 Cb 0.31 0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 2bun h HIS 78 CO -0.00 -0.64 0.07 0.82 0.86 0.00 0.00 177.93 179.04 2bun h ILE 79 N -1.19 1.14 0.00 2.45 2.04 0.33 -3.03 117.51 119.24 2bun h ILE 79 Ca -0.11 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2bun h ILE 79 Cb 0.87 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2bun h ILE 79 CO 0.19 0.13 0.00 1.56 0.00 0.00 0.00 178.15 180.03 2bun h GLN 80 N 0.10 0.00 -0.61 2.37 1.08 -0.12 -2.28 115.11 115.65 2bun h GLN 80 Ca 0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2bun h GLN 80 Cb 0.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2bun h GLN 80 CO -0.01 0.00 0.01 0.54 -0.95 0.00 0.00 178.83 178.42 2bun n ARG 81 N -2.47 4.65 0.00 1.46 1.74 -1.14 -4.94 116.66 115.96 2bun n ARG 81 Ca 0.00 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.11 2bun n ARG 81 Cb 0.15 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 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 0.57 0.00 0.00 0.55 2.03 -0.86 -5.06 116.55 113.77 2bun n ASP 82 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2bun n ASP 82 Cb 1.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 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 0.10 -0.67 1.85 -1.26 -4.99 116.66 111.68 2bun n ARG 83 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 2bun n ARG 83 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 2bun n ARG 83 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2bun n ARG 84 N -1.22 0.57 -3.12 2.89 -4.01 -1.26 -3.94 116.66 106.57 2bun n ARG 84 Ca 0.00 0.11 -0.45 0.00 -1.04 0.00 0.00 57.85 56.47 2bun n ARG 84 Cb 0.00 -1.80 -0.01 0.00 -3.04 0.00 0.00 32.46 27.61 2bun n ARG 84 CO 0.00 0.00 0.00 -3.38 -3.04 0.00 0.00 177.63 171.21 2bun s HIS 85 N -3.34 3.67 0.00 2.89 -3.43 -1.26 0.24 115.29 114.06 2bun s HIS 85 Ca 0.00 -2.10 0.00 0.00 -0.80 0.00 0.00 55.06 52.16 2bun s HIS 85 Cb 0.10 -4.09 0.00 0.00 -1.43 0.00 0.00 32.58 27.16 2bun s HIS 85 CO 0.79 -1.23 0.00 0.45 -2.00 0.00 0.00 174.74 172.75 2bun n SER 86 N 4.76 0.00 -0.00 7.38 2.88 -1.25 -1.27 113.62 126.12 2bun n SER 86 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2bun n SER 86 Cb 0.44 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.71 4.95 -3.72 -3.46 3.02 -1.26 -4.75 115.26 108.33 2bun n ASN 87 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 2bun n ASN 87 Cb 0.00 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 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 -1.52 -2.52 -2.78 2.41 3.14 -0.39 -4.87 118.33 111.79 2bun n VAL 88 Ca -0.00 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 60.81 2bun n VAL 88 Cb 0.02 -2.22 -0.03 0.00 -1.06 0.00 0.00 33.84 30.55 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 -5.24 3.57 0.00 1.45 2.02 -0.46 -4.86 118.70 115.18 2bun s GLU 89 Ca 0.12 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.65 2bun s GLU 89 Cb -0.07 -5.04 0.00 0.00 0.10 0.00 0.00 34.13 29.12 2bun s GLU 89 CO 0.77 -1.94 0.66 -0.89 0.02 0.00 0.00 175.26 173.88 2bun n ILE 90 N 6.05 0.00 -0.22 -1.63 2.08 -1.26 0.28 119.36 124.66 2bun n ILE 90 Ca 0.26 1.16 0.00 0.00 0.56 0.00 0.00 62.75 64.73 2bun n ILE 90 Cb 0.50 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 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 -1.34 0.44 -3.70 1.39 4.77 -1.26 -4.04 117.00 113.26 2bun n LEU 91 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2bun n LEU 91 Cb 0.00 -0.89 -0.17 0.00 -2.33 0.00 0.00 43.42 40.03 2bun n LEU 91 CO 0.00 -0.22 -0.36 0.00 -1.33 0.00 0.00 177.39 175.48 2bun s ALA 92 N -0.90 0.66 -0.20 -1.18 0.00 -1.23 -5.05 121.76 113.87 2bun s ALA 92 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 2bun s ALA 92 Cb 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.21 2bun s ALA 92 CO 0.00 -0.93 0.00 -1.21 0.00 0.00 0.00 175.76 173.62 2bun s GLU 93 N 2.01 0.96 0.03 0.00 2.02 -1.26 0.11 118.70 122.56 2bun s GLU 93 Ca 0.02 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.54 2bun s GLU 93 Cb -0.15 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 2bun s GLU 93 CO -0.07 -0.60 -0.23 -1.83 0.02 0.00 0.00 175.26 172.55 2bun s GLU 94 N 1.73 1.62 0.01 1.61 -1.05 -0.41 -4.99 118.70 117.23 2bun s GLU 94 Ca -0.02 -0.95 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 2bun s GLU 94 Cb -0.17 -1.71 -0.03 0.00 -0.44 0.00 0.00 34.13 31.78 2bun s GLU 94 CO -0.07 0.45 0.99 0.45 0.95 0.00 0.00 175.26 178.02 2bun s SER 95 N -1.02 7.37 0.44 0.83 0.15 -1.26 0.07 113.70 120.28 2bun s SER 95 Ca 0.09 1.69 0.03 0.00 0.70 0.00 0.00 55.95 58.46 2bun s SER 95 Cb -0.09 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 2bun s SER 95 CO 0.01 -0.26 0.10 0.27 1.20 0.00 0.00 173.24 174.57 2bun s ILE 96 N 0.94 0.70 -1.77 6.45 -4.36 0.76 -4.87 121.20 119.06 2bun s ILE 96 Ca 0.52 -2.00 0.15 0.00 -0.26 0.00 0.00 60.65 59.06 2bun s ILE 96 Cb -0.22 -2.27 0.08 0.00 1.25 0.00 0.00 42.46 41.31 2bun s ILE 96 CO 0.28 0.00 0.94 0.00 0.24 0.00 0.00 174.94 176.40 2bun n ALA 97 N -1.02 2.67 -0.81 2.27 0.00 -1.25 -3.32 120.51 119.04 2bun n ALA 97 Ca -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2bun n ALA 97 Cb 0.65 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.56 0.00 -1.91 0.00 0.00 -1.26 -4.65 118.16 110.90 2bun n LYS 98 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.38 2bun n LYS 98 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.40 2bun n LYS 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2bun n ARG 99 N -0.79 -0.13 -0.08 1.64 5.12 -1.26 -4.95 116.66 116.20 2bun n ARG 99 Ca 0.00 0.14 -0.22 0.00 -1.93 0.00 0.00 57.85 55.84 2bun n ARG 99 Cb 0.00 -3.73 -0.12 0.00 -1.16 0.00 0.00 32.46 27.45 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bun h ARG 100 N 0.00 0.06 0.00 5.56 3.08 -1.98 -3.42 114.38 117.68 2bun h ARG 100 Ca -0.04 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 2bun h ARG 100 Cb 0.92 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 2bun h ARG 100 CO 0.05 1.05 -1.74 1.19 -1.07 0.00 0.00 179.97 179.44 2bun n PHE 101 N -4.23 0.00 -0.06 3.04 3.01 -1.26 -4.98 117.46 112.97 2bun n PHE 101 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.14 2bun n PHE 101 Cb 0.76 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 2bun n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bun n ALA 102 N -2.25 0.00 -3.15 4.37 0.00 -1.26 -4.77 120.51 113.45 2bun n ALA 102 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 2bun n ALA 102 Cb 0.67 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.00 -0.05 0.45 0.00 0.00 -1.26 -4.90 107.32 99.56 2bun s GLY 103 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.22 2bun s GLY 103 CO 0.00 -0.35 1.12 0.66 0.00 0.00 0.00 173.10 174.52 2bun s TRP 104 N -3.87 2.99 -0.38 1.90 -2.14 -1.24 -2.66 118.94 113.55 2bun s TRP 104 Ca 0.09 1.57 0.01 0.00 2.66 0.00 0.00 56.10 60.43 2bun s TRP 104 Cb 0.00 -3.27 0.12 0.00 -3.10 0.00 0.00 33.47 27.22 2bun s TRP 104 CO -0.05 -1.19 0.17 -1.01 -2.66 0.00 0.00 176.95 172.21 2bun s HIS 105 N -1.63 1.94 -0.34 1.66 3.76 0.12 -4.86 115.29 115.96 2bun s HIS 105 Ca 0.63 -2.15 -0.19 0.00 -0.15 0.00 0.00 55.06 53.20 2bun s HIS 105 Cb -0.25 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 2bun s HIS 105 CO 0.31 -0.83 0.55 1.41 -0.85 0.00 0.00 174.74 175.32 2bun s MET 106 N 0.94 3.71 -0.51 1.40 0.00 -1.26 -0.08 119.30 123.50 2bun s MET 106 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 55.69 55.75 2bun s MET 106 Cb -0.21 -3.78 0.13 0.00 0.00 0.00 0.00 34.83 30.97 2bun s MET 106 CO -0.11 -0.62 0.34 -0.65 0.00 0.00 0.00 175.02 173.98 2bun s GLN 107 N 2.46 2.37 -0.09 4.11 -1.52 -0.25 -4.94 119.66 121.81 2bun s GLN 107 Ca 0.21 -2.03 -0.04 0.00 -1.95 0.00 0.00 55.36 51.55 2bun s GLN 107 Cb -0.15 -3.77 0.05 0.00 -0.22 0.00 0.00 33.01 28.92 2bun s GLN 107 CO 0.13 -1.15 0.18 -1.17 -0.25 0.00 0.00 175.29 173.03 2bun s LEU 108 N 0.83 -0.01 0.30 2.90 1.98 -1.26 -1.50 118.68 121.92 2bun s LEU 108 Ca 0.10 0.38 0.00 0.00 -2.89 0.00 0.00 54.13 51.72 2bun s LEU 108 Cb -0.22 0.37 0.00 0.00 0.66 0.00 0.00 46.19 47.00 2bun s LEU 108 CO -0.03 -0.23 0.00 -1.20 -1.89 0.00 0.00 176.35 173.00 2bun n SER 109 N 5.16 -6.10 -4.77 3.68 7.64 -1.26 -4.79 113.62 113.17 2bun n SER 109 Ca -0.08 0.60 -0.38 0.00 1.01 0.00 0.00 58.87 60.02 2bun n SER 109 Cb 0.50 -3.21 -0.05 0.00 -1.01 0.00 0.00 64.21 60.44 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bun h SER 111 N 3.05 0.99 0.00 0.00 0.02 -1.99 -3.36 113.55 112.26 2bun h SER 111 Ca -0.47 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2bun h SER 111 Cb 1.21 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2bun h SER 111 CO 0.64 0.78 0.00 -0.62 -1.14 0.00 0.00 176.83 176.49 2bun n GLU 112 N -4.36 0.00 -0.45 3.45 1.02 -1.26 -4.90 120.64 114.13 2bun n GLU 112 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2bun n GLU 112 Cb 0.08 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bun n ALA 113 N -1.26 0.00 0.02 0.62 0.00 -1.26 -4.81 120.51 113.82 2bun n ALA 113 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2bun n ALA 113 Cb 0.00 -0.73 0.22 0.00 0.00 0.00 0.00 19.45 18.93 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 0.48 0.80 0.00 2.03 -1.92 -0.87 116.42 116.94 2bun h ASP 114 Ca 0.00 -0.15 -0.02 0.00 -0.73 0.00 0.00 57.03 56.13 2bun h ASP 114 Cb 0.00 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 38.37 2bun h ASP 114 CO 0.00 0.70 -0.08 0.24 -1.03 0.00 0.00 179.24 179.08 2bun h MET 115 N 0.43 0.00 0.00 4.15 2.86 -2.03 -3.46 114.93 116.88 2bun h MET 115 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2bun h MET 115 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2bun h MET 115 CO 0.04 0.08 0.00 2.89 1.06 0.00 0.00 176.91 180.98 2bun n ARG 116 N -3.26 0.00 0.09 1.72 1.85 -0.33 -4.74 116.66 111.99 2bun n ARG 116 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.93 2bun n ARG 116 Cb 0.31 -3.66 0.39 0.00 -1.05 0.00 0.00 32.46 28.45 2bun n ARG 116 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2bun n SER 117 N 0.00 0.38 0.29 2.89 3.41 -1.26 -0.53 113.62 118.80 2bun n SER 117 Ca 0.00 0.63 0.15 0.00 -0.26 0.00 0.00 58.87 59.39 2bun n SER 117 Cb 0.00 -0.69 0.90 0.00 -0.26 0.00 0.00 64.21 64.15 2bun n SER 117 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2bun h LEU 118 N 0.00 0.00 0.00 1.04 3.38 -1.92 -3.44 115.31 114.36 2bun h LEU 118 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bun h LEU 118 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2bun h LEU 118 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2bun n GLY 119 N -1.06 -0.74 0.15 0.83 0.00 -0.87 -4.98 105.19 98.51 2bun n GLY 119 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -8.00 0.99 5.85 -1.52 -3.40 115.31 109.23 2bun h LEU 120 Ca 0.00 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 58.08 2bun h LEU 120 Cb 0.00 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 40.91 2bun h LEU 120 CO 0.00 0.29 1.52 0.00 -0.34 0.00 0.00 178.44 179.91 2bun s ALA 121 N -3.10 3.05 -0.36 1.25 0.00 0.31 -4.95 121.76 117.96 2bun s ALA 121 Ca 0.02 -2.57 -0.29 0.00 0.00 0.00 0.00 51.96 49.12 2bun s ALA 121 Cb 0.08 -4.44 -0.00 0.00 0.00 0.00 0.00 23.12 18.75 2bun s ALA 121 CO 0.75 -3.38 1.53 -2.00 0.00 0.00 0.00 175.76 172.66 2bun s GLU 122 N 4.16 3.55 0.15 0.00 2.12 -1.26 -4.96 118.70 122.46 2bun s GLU 122 Ca 0.45 1.16 -0.30 0.00 0.36 0.00 0.00 54.97 56.64 2bun s GLU 122 Cb -0.00 -4.06 -0.07 0.00 0.26 0.00 0.00 34.13 30.25 2bun s GLU 122 CO -0.05 -1.59 1.19 -1.12 -0.54 0.00 0.00 175.26 173.15 2bun s SER 123 N 4.46 7.10 -0.05 -1.70 0.01 -1.26 -5.02 113.70 117.24 2bun s SER 123 Ca 0.67 2.15 0.00 0.00 1.31 0.00 0.00 55.95 60.09 2bun s SER 123 Cb -0.17 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.48 2bun s SER 123 CO 0.32 -0.39 -0.03 0.00 0.41 0.00 0.00 173.24 173.55 2bun s ARG 124 N 0.15 0.74 0.00 12.44 3.03 -1.26 -5.26 118.95 128.79 2bun s ARG 124 Ca 0.54 -0.04 0.27 0.00 2.03 0.00 0.00 55.73 58.53 2bun s ARG 124 Cb -0.31 -0.85 0.77 0.00 -1.03 0.00 0.00 34.95 33.52 2bun s ARG 124 CO 0.34 -0.14 1.59 0.00 -1.13 0.00 0.00 175.30 175.95