#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 3.81 0.02 1.96 2.56 -1.26 -5.07 118.70 120.72 2bun s GLU 6 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 54.97 55.25 2bun s GLU 6 Cb 0.00 -2.83 -0.04 0.00 2.00 0.00 0.00 34.13 33.26 2bun s GLU 6 CO 0.00 0.44 -0.03 0.00 -0.56 0.00 0.00 175.26 175.11 2bun s ALA 7 N -1.60 3.16 -0.03 6.30 0.00 -1.26 -5.11 121.76 123.23 2bun s ALA 7 Ca 0.40 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2bun s ALA 7 Cb -0.13 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 2bun s ALA 7 CO 0.20 0.64 -0.13 0.34 0.00 0.00 0.00 175.76 176.82 2bun s ASP 8 N -1.63 1.60 0.00 0.00 2.15 -1.26 -5.00 116.67 112.53 2bun s ASP 8 Ca 0.19 -0.25 0.13 0.00 0.43 0.00 0.00 52.55 53.05 2bun s ASP 8 Cb -0.11 -0.35 0.57 0.00 -0.30 0.00 0.00 42.92 42.72 2bun s ASP 8 CO 0.10 0.12 1.39 1.33 -0.17 0.00 0.00 175.17 177.95 2bun n VAL 9 N 3.07 1.03 -1.65 1.11 0.24 -1.26 -4.87 118.33 116.00 2bun n VAL 9 Ca -0.17 0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 62.23 2bun n VAL 9 Cb 0.54 -1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 31.82 2bun n VAL 9 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bun n THR 10 N -1.46 -0.17 -3.11 3.34 -2.24 -1.26 -4.96 114.28 104.42 2bun n THR 10 Ca 0.04 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 2bun n THR 10 Cb 0.14 -1.82 -0.06 0.00 -2.10 0.00 0.00 70.33 66.49 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 -3.68 4.19 0.00 -0.78 -1.94 -1.26 -4.86 119.30 110.97 2bun s MET 11 Ca 0.00 0.60 0.16 0.00 -1.71 0.00 0.00 55.69 54.75 2bun s MET 11 Cb 0.00 -3.60 -0.01 0.00 2.01 0.00 0.00 34.83 33.23 2bun s MET 11 CO 0.00 -0.29 0.85 0.25 -0.01 0.00 0.00 175.02 175.82 2bun n THR 12 N 4.83 0.00 -3.41 2.05 -2.24 -1.26 -5.04 114.28 109.20 2bun n THR 12 Ca -0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2bun n THR 12 Cb 0.49 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 1.17 -1.25 0.00 3.38 0.00 -1.26 -4.96 105.19 102.27 2bun n GLY 13 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 1.14 2.52 -2.49 1.61 2.88 -1.26 -4.90 113.62 113.12 2bun n SER 14 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 2bun n SER 14 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 3.53 -4.36 -3.46 5.75 -1.26 -4.98 116.55 111.78 2bun n ASP 15 Ca 0.00 -3.28 -0.21 0.00 -0.01 0.00 0.00 54.79 51.29 2bun n ASP 15 Cb 0.00 -0.46 -0.11 0.00 -1.03 0.00 0.00 41.12 39.52 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 -3.46 2.49 -0.01 -2.12 2.01 -1.13 -3.84 118.68 112.63 2bun s LEU 16 Ca 0.41 -0.93 -0.15 0.00 0.01 0.00 0.00 54.13 53.46 2bun s LEU 16 Cb 0.41 -0.83 0.02 0.00 0.01 0.00 0.00 46.19 45.81 2bun s LEU 16 CO -0.07 -0.06 0.32 -0.69 1.01 0.00 0.00 176.35 176.85 2bun s VAL 17 N -2.38 0.06 -0.14 -1.59 1.01 0.14 -0.56 120.40 116.94 2bun s VAL 17 Ca 0.20 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2bun s VAL 17 Cb -0.04 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.71 2bun s VAL 17 CO 0.08 -0.27 -0.02 -0.55 0.00 0.00 0.00 175.10 174.34 2bun s SER 18 N -1.43 2.38 -0.20 3.32 0.15 0.17 -0.67 113.70 117.41 2bun s SER 18 Ca -0.12 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 2bun s SER 18 Cb -0.04 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.55 2bun s SER 18 CO 0.03 -0.21 0.29 0.00 1.20 0.00 0.00 173.24 174.55 2bun s TYR 21 N 1.21 1.22 0.18 0.00 -0.85 0.03 -3.27 117.35 115.88 2bun s TYR 21 Ca -0.04 -0.86 0.05 0.00 -0.52 0.00 0.00 57.07 55.70 2bun s TYR 21 Cb -0.18 -0.66 -0.05 0.00 0.38 0.00 0.00 41.96 41.45 2bun s TYR 21 CO -0.05 -0.03 -0.10 -0.98 -1.52 0.00 0.00 175.55 172.87 2bun s ARG 22 N -3.81 1.21 0.15 -3.49 3.03 0.14 -2.13 118.95 114.05 2bun s ARG 22 Ca 0.19 -1.55 -0.06 0.00 2.03 0.00 0.00 55.73 56.34 2bun s ARG 22 Cb 0.04 -0.80 -0.02 0.00 -1.03 0.00 0.00 34.95 33.14 2bun s ARG 22 CO 0.01 0.08 0.20 -1.12 -1.13 0.00 0.00 175.30 173.34 2bun s SER 23 N -3.25 0.14 -0.82 -2.89 0.01 0.12 -0.74 113.70 106.27 2bun s SER 23 Ca 0.21 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2bun s SER 23 Cb 0.02 0.38 0.23 0.00 0.21 0.00 0.00 66.02 66.86 2bun s SER 23 CO 0.04 -0.82 0.81 0.18 0.41 0.00 0.00 173.24 173.86 2bun n LEU 24 N -0.16 4.17 -0.69 2.44 7.99 -1.26 0.09 117.00 129.57 2bun n LEU 24 Ca -0.07 -5.25 -0.10 0.00 -0.01 0.00 0.00 56.01 50.58 2bun n LEU 24 Cb 0.63 -0.94 -0.02 0.00 -0.11 0.00 0.00 43.42 42.98 2bun n LEU 24 CO 0.26 1.75 0.27 0.00 -1.51 0.00 0.00 177.39 178.16 2bun n ALA 25 N 1.71 0.00 -1.67 -1.18 0.00 -0.92 -4.31 120.51 114.15 2bun n ALA 25 Ca 0.24 0.04 -0.46 0.00 0.00 0.00 0.00 53.44 53.26 2bun n ALA 25 Cb 0.37 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 1.14 1.10 0.00 0.00 0.00 -1.26 -4.80 120.51 116.68 2bun n ALA 26 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2bun n ALA 26 Cb -0.01 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 2.57 0.00 -0.24 0.00 -0.04 -1.26 -1.38 135.00 134.64 2bun n PRO 27 Ca 0.14 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 2bun n PRO 27 Cb 0.30 -1.51 0.17 0.00 -0.04 0.00 0.00 33.50 32.42 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 3.07 -4.82 3.54 5.75 -1.26 -5.01 116.55 116.58 2bun n ASP 28 Ca 0.00 -2.63 -0.33 0.00 -0.01 0.00 0.00 54.79 51.82 2bun n ASP 28 Cb 0.01 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 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 -2.12 3.76 -0.15 -2.12 1.43 -0.48 -5.04 118.68 113.96 2bun s LEU 29 Ca 0.29 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 2bun s LEU 29 Cb 0.23 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 2bun s LEU 29 CO 0.08 -0.62 0.24 0.42 0.23 0.00 0.00 176.35 176.69 2bun s THR 30 N -2.32 5.34 0.23 5.49 -4.23 -1.26 -4.99 115.64 113.91 2bun s THR 30 Ca 0.62 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 61.49 2bun s THR 30 Cb -0.12 -3.56 0.22 0.00 1.34 0.00 0.00 72.50 70.38 2bun s THR 30 CO 0.23 0.46 1.91 0.25 -0.54 0.00 0.00 174.62 176.94 2bun h LEU 31 N 6.19 1.05 -1.56 4.79 5.85 -2.00 -1.68 115.31 127.94 2bun h LEU 31 Ca -0.45 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2bun h LEU 31 Cb 1.18 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2bun h LEU 31 CO 0.71 0.76 0.09 -0.09 -0.34 0.00 0.00 178.44 179.57 2bun h ARG 32 N 1.24 0.38 -0.61 1.25 9.65 -1.97 0.66 114.38 124.97 2bun h ARG 32 Ca 0.33 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 59.10 2bun h ARG 32 Cb -0.14 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 2bun h ARG 32 CO -0.07 0.33 0.12 -0.44 2.80 0.00 0.00 179.97 182.71 2bun h ASP 33 N 0.38 0.93 -0.46 -3.80 5.19 -1.73 0.23 116.42 117.16 2bun h ASP 33 Ca 0.10 -0.20 -0.12 0.00 -0.62 0.00 0.00 57.03 56.19 2bun h ASP 33 Cb 0.11 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 2bun h ASP 33 CO -0.01 0.92 -0.16 -0.07 -3.12 0.00 0.00 179.24 176.80 2bun h LEU 34 N 0.93 0.94 -1.16 1.55 -0.00 -0.54 0.12 115.31 117.14 2bun h LEU 34 Ca 0.19 -0.38 -0.05 0.00 -0.00 0.00 0.00 57.88 57.64 2bun h LEU 34 Cb 0.38 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 2bun h LEU 34 CO 0.01 1.11 -0.24 -0.07 -0.00 0.00 0.00 178.44 179.24 2bun h LEU 35 N 0.76 0.00 0.21 1.67 -0.00 -0.94 -1.75 115.31 115.26 2bun h LEU 35 Ca 0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.66 2bun h LEU 35 Cb 0.72 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.41 2bun h LEU 35 CO 0.06 0.24 -1.53 -0.78 -0.00 0.00 0.00 178.44 176.43 2bun h ASP 36 N 0.00 0.68 -0.19 -0.43 1.82 -0.21 -3.34 116.42 114.74 2bun h ASP 36 Ca -0.00 -0.81 0.05 0.00 -0.39 0.00 0.00 57.03 55.88 2bun h ASP 36 Cb 0.73 -0.22 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 2bun h ASP 36 CO 0.03 1.65 -0.22 0.40 -1.61 0.00 0.00 179.24 179.50 2bun h ILE 37 N 0.12 0.45 -0.95 2.25 2.04 -0.17 0.04 117.51 121.29 2bun h ILE 37 Ca -0.26 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.77 2bun h ILE 37 Cb 2.11 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 38.54 2bun h ILE 37 CO 0.23 0.00 0.55 1.62 0.00 0.00 0.00 178.15 180.55 2bun h VAL 38 N -0.24 0.73 0.46 1.67 3.04 -1.49 0.32 116.25 120.73 2bun h VAL 38 Ca 0.12 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.54 2bun h VAL 38 Cb 0.43 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2bun h VAL 38 CO -0.34 0.13 -0.22 -0.33 -1.01 0.00 0.00 177.57 175.81 2bun h GLU 39 N 0.73 -0.59 -0.86 4.17 4.39 -1.52 -3.01 114.58 117.90 2bun h GLU 39 Ca 0.53 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.29 2bun h GLU 39 Cb 0.78 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 2bun h GLU 39 CO -0.37 -0.39 0.57 1.15 -1.16 0.00 0.00 179.01 178.80 2bun h THR 40 N -1.03 1.18 0.15 1.13 2.02 -0.68 -2.85 112.91 112.83 2bun h THR 40 Ca -0.06 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2bun h THR 40 Cb 0.47 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2bun h THR 40 CO 0.10 0.20 -0.07 0.77 0.37 0.00 0.00 175.52 176.89 2bun h SER 41 N 1.11 -0.17 -0.05 4.18 4.64 -0.46 -2.85 113.55 119.95 2bun h SER 41 Ca 0.33 -0.37 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 2bun h SER 41 Cb -0.05 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2bun h SER 41 CO -0.08 0.36 -0.15 0.06 -0.87 0.00 0.00 176.83 176.15 2bun h GLN 42 N -0.79 0.39 0.00 4.77 3.07 -1.51 0.55 115.11 121.58 2bun h GLN 42 Ca -0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 58.65 58.56 2bun h GLN 42 Cb 0.53 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 2bun h GLN 42 CO 0.03 0.54 -0.25 0.00 0.09 0.00 0.00 178.83 179.24 2bun h ALA 43 N 1.49 1.09 0.15 0.06 0.00 -1.58 0.35 119.26 120.82 2bun h ALA 43 Ca 0.07 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.39 2bun h ALA 43 Cb 0.48 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2bun h ALA 43 CO 0.03 0.31 -1.88 1.25 0.00 0.00 0.00 179.25 178.96 2bun h HIS 44 N 0.00 0.59 -0.36 0.00 -0.00 -0.95 -3.25 115.15 111.18 2bun h HIS 44 Ca -0.00 -0.43 -0.01 0.00 -0.00 0.00 0.00 60.37 59.92 2bun h HIS 44 Cb 0.69 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 2bun h HIS 44 CO 0.00 1.73 0.17 -0.91 -0.00 0.00 0.00 177.93 178.92 2bun h ASN 45 N 0.09 0.48 -0.88 3.26 2.35 0.46 0.38 115.58 121.71 2bun h ASN 45 Ca -0.39 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.25 2bun h ASN 45 Cb 2.07 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 40.27 2bun h ASN 45 CO 0.13 0.48 0.58 0.00 -1.65 0.00 0.00 177.43 176.97 2bun h ALA 46 N 1.02 1.13 -0.12 -0.83 0.00 -0.47 0.48 119.26 120.47 2bun h ALA 46 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2bun h ALA 46 Cb 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2bun h ALA 46 CO -0.01 0.50 -0.06 -0.09 0.00 0.00 0.00 179.25 179.58 2bun h ARG 47 N 1.18 0.24 -0.00 0.00 2.43 -1.50 -2.96 114.38 113.77 2bun h ARG 47 Ca 0.33 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2bun h ARG 47 Cb -0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2bun h ARG 47 CO -0.08 0.60 0.00 0.00 -1.51 0.00 0.00 179.97 178.98 2bun n ALA 48 N -2.36 2.67 -2.15 2.80 0.00 0.13 -4.88 120.51 116.72 2bun n ALA 48 Ca -0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 2bun n ALA 48 Cb 0.28 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.89 -0.55 -3.36 0.00 6.02 0.77 -4.55 117.38 114.81 2bun n GLN 49 Ca 0.22 0.26 -0.38 0.00 -0.01 0.00 0.00 57.00 57.10 2bun n GLN 49 Cb 0.12 -4.02 -0.06 0.00 1.02 0.00 0.00 30.24 27.30 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 -1.65 4.40 -0.01 1.08 1.02 0.13 -4.63 118.68 119.03 2bun s LEU 50 Ca 0.01 0.98 0.04 0.00 0.02 0.00 0.00 54.13 55.18 2bun s LEU 50 Cb -0.00 -2.72 -0.03 0.00 0.02 0.00 0.00 46.19 43.46 2bun s LEU 50 CO 0.01 0.17 -0.10 0.42 0.02 0.00 0.00 176.35 176.87 2bun s THR 51 N -0.33 3.37 0.19 5.49 -4.23 0.11 -3.96 115.64 116.28 2bun s THR 51 Ca 0.26 -0.81 -0.22 0.00 -1.18 0.00 0.00 61.69 59.74 2bun s THR 51 Cb -0.17 -2.42 0.08 0.00 1.34 0.00 0.00 72.50 71.32 2bun s THR 51 CO 0.14 0.44 1.03 -0.83 -0.54 0.00 0.00 174.62 174.86 2bun s GLY 52 N -1.23 0.10 -0.28 3.99 0.00 -0.89 0.30 107.32 109.31 2bun s GLY 52 Ca 0.15 -0.33 -0.20 0.00 0.00 0.00 0.00 44.72 44.35 2bun s GLY 52 CO 0.05 2.33 0.86 0.00 0.00 0.00 0.00 173.10 176.35 2bun s ALA 53 N -2.21 -2.01 -0.15 3.20 0.00 -1.21 -0.31 121.76 119.08 2bun s ALA 53 Ca 0.21 2.17 -0.01 0.00 0.00 0.00 0.00 51.96 54.33 2bun s ALA 53 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2bun s ALA 53 CO 0.05 -0.33 -0.12 -1.17 0.00 0.00 0.00 175.76 174.19 2bun s LEU 54 N 1.01 2.71 -0.07 0.00 1.98 0.15 -3.15 118.68 121.31 2bun s LEU 54 Ca -0.05 -0.36 0.03 0.00 -2.89 0.00 0.00 54.13 50.87 2bun s LEU 54 Cb -0.05 -1.62 -0.02 0.00 0.66 0.00 0.00 46.19 45.16 2bun s LEU 54 CO -0.12 0.13 -0.15 -0.36 -1.89 0.00 0.00 176.35 173.96 2bun s PHE 55 N 0.58 2.69 -0.22 5.38 0.08 0.14 -1.23 117.98 125.40 2bun s PHE 55 Ca -0.07 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.60 2bun s PHE 55 Cb -0.15 -1.68 0.11 0.00 -0.57 0.00 0.00 43.02 40.73 2bun s PHE 55 CO 0.03 0.04 0.31 -0.47 -0.10 0.00 0.00 175.22 175.03 2bun s TYR 56 N -0.40 -0.57 -0.09 0.36 6.14 -1.26 -0.01 117.35 121.52 2bun s TYR 56 Ca 0.04 0.60 -0.30 0.00 0.64 0.00 0.00 57.07 58.05 2bun s TYR 56 Cb -0.12 -0.14 0.11 0.00 0.42 0.00 0.00 41.96 42.23 2bun s TYR 56 CO 0.02 -0.64 0.90 -1.54 0.64 0.00 0.00 175.55 174.92 2bun s SER 57 N 2.45 -0.43 -1.06 4.32 1.04 -1.05 -4.85 113.70 114.12 2bun s SER 57 Ca 0.09 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2bun s SER 57 Cb -0.15 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2bun s SER 57 CO -0.14 -0.48 0.00 0.00 0.98 0.00 0.00 173.24 173.60 2bun n GLN 58 N 0.50 -1.14 0.00 4.02 6.02 -1.26 -1.36 117.38 124.17 2bun n GLN 58 Ca -0.12 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 2bun n GLN 58 Cb 0.59 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.95 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 -0.87 2.20 3.77 1.08 0.00 -1.26 -5.01 105.19 105.10 2bun n GLY 59 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.59 5.09 -0.22 1.61 -7.23 -0.46 -2.17 120.40 114.43 2bun s VAL 60 Ca 0.00 0.92 -0.07 0.00 -1.81 0.00 0.00 61.98 61.02 2bun s VAL 60 Cb 0.00 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 2bun s VAL 60 CO 0.00 0.44 0.07 0.12 -0.31 0.00 0.00 175.10 175.41 2bun s PHE 61 N -0.13 3.16 -0.07 2.82 2.19 0.11 -2.52 117.98 123.55 2bun s PHE 61 Ca 0.25 -0.16 0.01 0.00 0.33 0.00 0.00 56.93 57.36 2bun s PHE 61 Cb -0.16 -2.16 0.02 0.00 -1.31 0.00 0.00 43.02 39.41 2bun s PHE 61 CO 0.12 -0.10 -0.06 0.12 1.83 0.00 0.00 175.22 177.13 2bun s PHE 62 N 1.00 1.00 0.02 10.12 2.19 0.99 0.12 117.98 133.41 2bun s PHE 62 Ca 0.04 -0.36 0.00 0.00 0.33 0.00 0.00 56.93 56.94 2bun s PHE 62 Cb -0.14 -0.87 -0.02 0.00 -1.31 0.00 0.00 43.02 40.68 2bun s PHE 62 CO 0.03 -0.29 -0.03 -1.14 1.83 0.00 0.00 175.22 175.62 2bun s GLN 63 N 1.21 0.27 0.04 10.12 0.74 -0.90 0.23 119.66 131.36 2bun s GLN 63 Ca -0.06 -0.46 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 2bun s GLN 63 Cb -0.14 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 33.96 2bun s GLN 63 CO -0.02 -0.02 -0.01 1.67 -0.55 0.00 0.00 175.29 176.36 2bun s TRP 64 N -1.05 0.37 -0.02 1.67 -2.14 -1.19 -0.79 118.94 115.79 2bun s TRP 64 Ca -0.11 -0.77 -0.01 0.00 2.66 0.00 0.00 56.10 57.87 2bun s TRP 64 Cb -0.07 -0.27 0.01 0.00 -3.10 0.00 0.00 33.47 30.03 2bun s TRP 64 CO -0.01 -0.31 0.04 -0.48 -2.66 0.00 0.00 176.95 173.54 2bun s LEU 65 N -2.24 1.77 -0.18 -4.66 2.34 -0.20 -3.35 118.68 112.15 2bun s LEU 65 Ca -0.04 0.08 -0.01 0.00 0.06 0.00 0.00 54.13 54.23 2bun s LEU 65 Cb -0.00 0.12 0.00 0.00 -0.56 0.00 0.00 46.19 45.75 2bun s LEU 65 CO -0.06 -0.03 -0.13 -1.61 -1.06 0.00 0.00 176.35 173.47 2bun s GLU 66 N 0.13 3.22 0.19 1.48 2.02 0.15 -1.64 118.70 124.25 2bun s GLU 66 Ca -0.01 -0.73 -0.22 0.00 0.02 0.00 0.00 54.97 54.03 2bun s GLU 66 Cb -0.01 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.57 2bun s GLU 66 CO -0.00 -0.08 1.02 0.20 0.02 0.00 0.00 175.26 176.41 2bun s GLY 67 N 1.09 0.07 0.13 -1.39 0.00 0.15 0.07 107.32 107.44 2bun s GLY 67 Ca -0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 44.72 44.13 2bun s GLY 67 CO -0.04 1.93 1.42 -1.58 0.00 0.00 0.00 173.10 174.84 2bun s HIS 68 N -2.34 3.21 0.13 1.90 2.46 -1.25 0.23 115.29 119.63 2bun s HIS 68 Ca 0.20 0.91 -0.09 0.00 0.47 0.00 0.00 55.06 56.55 2bun s HIS 68 Cb -0.02 -3.73 0.15 0.00 -0.13 0.00 0.00 32.58 28.85 2bun s HIS 68 CO 0.05 -2.55 0.85 -2.30 -2.47 0.00 0.00 174.74 168.32 2bun n PRO 69 N 3.83 -0.12 0.24 2.88 -0.01 -1.25 0.19 135.00 140.75 2bun n PRO 69 Ca 0.11 0.84 0.12 0.00 -0.01 0.00 0.00 63.50 64.57 2bun n PRO 69 Cb 0.42 -1.25 0.48 0.00 -0.01 0.00 0.00 33.50 33.13 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 0.79 0.99 -0.15 3.55 0.00 -1.93 0.15 119.26 122.66 2bun h ALA 70 Ca 0.20 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2bun h ALA 70 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2bun h ALA 70 CO -0.54 0.18 -0.40 0.00 0.00 0.00 0.00 179.25 178.48 2bun h ALA 71 N 1.86 0.26 -0.57 0.00 0.00 -0.62 0.73 119.26 120.90 2bun h ALA 71 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2bun h ALA 71 Cb 0.73 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2bun h ALA 71 CO 0.02 0.36 0.23 0.28 0.00 0.00 0.00 179.25 180.13 2bun h VAL 72 N 0.18 1.22 -0.12 0.00 2.07 -1.06 -0.70 116.25 117.85 2bun h VAL 72 Ca -0.01 -0.70 -0.17 0.00 0.82 0.00 0.00 66.70 66.64 2bun h VAL 72 Cb 1.01 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2bun h VAL 72 CO 0.09 0.27 -0.65 0.00 0.02 0.00 0.00 177.57 177.29 2bun h ALA 73 N 1.07 0.65 -0.68 1.67 0.00 -0.70 0.49 119.26 121.76 2bun h ALA 73 Ca 0.19 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2bun h ALA 73 Cb 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2bun h ALA 73 CO -0.02 0.73 0.40 1.49 0.00 0.00 0.00 179.25 181.85 2bun h GLU 74 N 0.33 0.74 0.06 0.00 4.81 -0.50 0.67 114.58 120.69 2bun h GLU 74 Ca -0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2bun h GLU 74 Cb 1.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2bun h GLU 74 CO 0.12 0.49 -0.03 0.28 -0.73 0.00 0.00 179.01 179.13 2bun h VAL 75 N 0.76 1.03 -0.23 0.32 2.07 -0.81 -2.75 116.25 116.65 2bun h VAL 75 Ca 0.29 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2bun h VAL 75 Cb 0.11 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2bun h VAL 75 CO -0.15 0.08 -0.13 0.24 0.02 0.00 0.00 177.57 177.64 2bun h MET 76 N -0.23 -0.10 -0.66 1.57 2.86 0.11 0.18 114.93 118.65 2bun h MET 76 Ca -0.01 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2bun h MET 76 Cb 0.20 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 2bun h MET 76 CO 0.01 -0.07 0.34 0.77 1.06 0.00 0.00 176.91 179.03 2bun h SER 77 N -0.10 0.47 -0.45 1.22 0.02 0.28 0.76 113.55 115.75 2bun h SER 77 Ca 0.13 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2bun h SER 77 Cb 0.29 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2bun h SER 77 CO -0.30 0.29 -0.13 0.45 -1.14 0.00 0.00 176.83 176.01 2bun h HIS 78 N 0.62 0.99 -0.34 3.45 3.86 -1.13 -2.81 115.15 119.79 2bun h HIS 78 Ca 0.31 -0.22 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 2bun h HIS 78 Cb 0.26 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2bun h HIS 78 CO -0.10 0.99 -0.29 0.82 0.86 0.00 0.00 177.93 180.21 2bun h ILE 79 N 0.71 1.29 0.00 2.45 2.04 0.40 -2.49 117.51 121.90 2bun h ILE 79 Ca 0.11 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.52 2bun h ILE 79 Cb 0.68 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2bun h ILE 79 CO 0.05 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.67 2bun n GLN 80 N -4.21 0.79 -1.19 2.37 1.13 0.25 -1.20 117.38 115.32 2bun n GLN 80 Ca -0.03 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.82 2bun n GLN 80 Cb 0.48 -1.40 0.16 0.00 0.11 0.00 0.00 30.24 29.58 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 -0.90 2.29 0.00 -1.09 5.12 -0.94 -5.02 116.66 116.11 2bun n ARG 81 Ca 0.15 -3.16 0.00 0.00 -1.93 0.00 0.00 57.85 52.91 2bun n ARG 81 Cb 0.07 -2.12 0.00 0.00 -1.16 0.00 0.00 32.46 29.25 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 -1.08 0.00 0.00 0.55 5.75 -0.35 -4.97 116.55 116.45 2bun n ASP 82 Ca 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 2bun n ASP 82 Cb 1.31 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 2bun n ASP 82 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bun n ARG 83 N 0.00 0.00 -1.15 0.11 1.74 -1.26 -4.93 116.66 111.17 2bun n ARG 83 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2bun n ARG 83 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 2bun n ARG 83 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bun n ARG 84 N -2.43 2.12 -3.74 5.56 3.00 -1.26 -4.82 116.66 115.09 2bun n ARG 84 Ca 0.00 -2.07 -0.01 0.00 -0.01 0.00 0.00 57.85 55.76 2bun n ARG 84 Cb 0.00 -1.87 -0.00 0.00 0.00 0.00 0.00 32.46 30.58 2bun n ARG 84 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2bun s HIS 85 N -2.12 -0.06 0.00 -1.55 -3.43 -1.26 -4.83 115.29 102.04 2bun s HIS 85 Ca 0.44 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 2bun s HIS 85 Cb 0.32 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 32.08 2bun s HIS 85 CO -0.08 -0.61 0.00 0.45 -2.00 0.00 0.00 174.74 172.50 2bun n SER 86 N -0.61 0.00 -0.54 7.38 2.88 -1.26 -4.49 113.62 116.97 2bun n SER 86 Ca -0.06 0.00 0.44 0.00 -1.33 0.00 0.00 58.87 57.92 2bun n SER 86 Cb 0.61 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.80 2bun n SER 86 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2bun h ASN 87 N 0.00 0.13 -6.37 -3.46 2.35 -1.89 -3.46 115.58 102.88 2bun h ASN 87 Ca 0.00 0.08 -0.35 0.00 -0.55 0.00 0.00 56.30 55.48 2bun h ASN 87 Cb 0.00 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2bun h ASN 87 CO 0.00 -0.12 -0.86 0.55 -1.65 0.00 0.00 177.43 175.35 2bun n VAL 88 N -4.39 -5.21 -2.90 2.81 3.14 -1.25 -4.89 118.33 105.63 2bun n VAL 88 Ca 0.40 -0.01 -0.44 0.00 -2.96 0.00 0.00 64.34 61.34 2bun n VAL 88 Cb 1.67 -4.06 -0.03 0.00 -1.06 0.00 0.00 33.84 30.37 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 -4.11 3.59 0.00 1.45 2.02 0.08 -4.85 118.70 116.88 2bun s GLU 89 Ca 0.06 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.36 2bun s GLU 89 Cb -0.01 -4.93 0.00 0.00 0.10 0.00 0.00 34.13 29.29 2bun s GLU 89 CO 0.86 -1.81 0.86 -0.89 0.02 0.00 0.00 175.26 174.30 2bun n ILE 90 N 5.61 0.00 0.00 -1.63 2.08 -1.26 -0.68 119.36 123.48 2bun n ILE 90 Ca 0.24 1.36 0.00 0.00 0.56 0.00 0.00 62.75 64.91 2bun n ILE 90 Cb 0.49 -2.08 0.00 0.00 -0.75 0.00 0.00 39.64 37.30 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 -2.04 0.00 -3.95 1.39 4.77 -1.26 -3.99 117.00 111.93 2bun n LEU 91 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2bun n LEU 91 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2bun n LEU 91 CO 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 177.39 175.62 2bun s ALA 92 N -0.09 1.82 -0.20 -1.18 0.00 -1.20 -5.06 121.76 115.85 2bun s ALA 92 Ca 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 2bun s ALA 92 Cb 0.00 -1.27 0.05 0.00 0.00 0.00 0.00 23.12 21.91 2bun s ALA 92 CO 0.00 -0.90 -0.02 -1.21 0.00 0.00 0.00 175.76 173.63 2bun s GLU 93 N 1.47 1.25 -0.02 0.00 2.02 -1.26 -0.08 118.70 122.08 2bun s GLU 93 Ca -0.02 -0.67 0.08 0.00 0.02 0.00 0.00 54.97 54.38 2bun s GLU 93 Cb -0.17 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 2bun s GLU 93 CO -0.08 -0.57 -0.25 -1.83 0.02 0.00 0.00 175.26 172.56 2bun s GLU 94 N 1.61 2.14 -0.11 1.61 -1.05 0.20 -4.96 118.70 118.14 2bun s GLU 94 Ca -0.02 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 53.59 2bun s GLU 94 Cb -0.17 -2.07 -0.02 0.00 -0.44 0.00 0.00 34.13 31.43 2bun s GLU 94 CO -0.07 0.57 1.21 -1.54 0.95 0.00 0.00 175.26 176.37 2bun s SER 95 N -0.63 7.02 0.37 0.83 1.04 -1.26 0.41 113.70 121.48 2bun s SER 95 Ca 0.10 1.73 0.06 0.00 0.48 0.00 0.00 55.95 58.32 2bun s SER 95 Cb -0.10 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 2bun s SER 95 CO -0.01 -0.65 0.02 0.27 0.98 0.00 0.00 173.24 173.85 2bun s ILE 96 N 2.77 1.65 -1.83 -1.02 -4.36 0.27 -4.88 121.20 113.81 2bun s ILE 96 Ca 0.54 -2.01 0.16 0.00 -0.26 0.00 0.00 60.65 59.08 2bun s ILE 96 Cb -0.23 -2.88 0.09 0.00 1.25 0.00 0.00 42.46 40.69 2bun s ILE 96 CO 0.18 -0.02 0.95 0.00 0.24 0.00 0.00 174.94 176.29 2bun n ALA 97 N -0.83 2.63 -0.94 2.27 0.00 -1.26 -2.83 120.51 119.55 2bun n ALA 97 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2bun n ALA 97 Cb 0.67 -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 0.63 0.00 -1.07 0.00 4.81 -1.26 -4.90 118.16 116.38 2bun n LYS 98 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2bun n LYS 98 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 2bun n LYS 98 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2bun n ARG 99 N 0.00 0.00 0.16 1.64 3.00 -1.26 -5.03 116.66 115.16 2bun n ARG 99 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 57.85 58.18 2bun n ARG 99 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 31.39 2bun n ARG 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2bun n ARG 100 N -0.73 0.00 -4.23 5.56 1.74 -1.26 -5.10 116.66 112.63 2bun n ARG 100 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 2bun n ARG 100 Cb 0.36 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.72 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 -1.95 2.80 -0.41 -1.55 0.40 -1.26 -5.03 117.98 110.98 2bun s PHE 101 Ca 0.00 -0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.22 2bun s PHE 101 Cb 0.00 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 2bun s PHE 101 CO 0.00 0.56 0.37 0.00 0.70 0.00 0.00 175.22 176.85 2bun n ALA 102 N -0.50 2.66 -2.93 5.36 0.00 -1.26 -4.81 120.51 119.03 2bun n ALA 102 Ca -0.08 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 2bun n ALA 102 Cb 0.57 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.23 -0.18 0.16 0.00 0.00 -1.26 -4.81 107.32 99.99 2bun s GLY 103 Ca 0.04 -0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.36 2bun s GLY 103 CO 0.18 -0.35 0.87 0.86 0.00 0.00 0.00 173.10 174.66 2bun s TRP 104 N -3.48 3.89 0.32 1.90 -0.00 -1.24 -2.10 118.94 118.23 2bun s TRP 104 Ca 0.01 1.74 0.10 0.00 -0.00 0.00 0.00 56.10 57.96 2bun s TRP 104 Cb 0.02 -2.91 -0.06 0.00 -0.00 0.00 0.00 33.47 30.52 2bun s TRP 104 CO -0.09 0.40 -0.14 -1.01 -0.00 0.00 0.00 176.95 176.10 2bun s HIS 105 N -0.75 2.34 -0.16 5.86 3.76 0.58 -4.78 115.29 122.14 2bun s HIS 105 Ca 0.40 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.76 2bun s HIS 105 Cb -0.24 -1.21 0.05 0.00 1.11 0.00 0.00 32.58 32.29 2bun s HIS 105 CO 0.28 0.63 0.41 1.41 -0.85 0.00 0.00 174.74 176.62 2bun s MET 106 N -3.57 0.43 0.16 1.40 1.75 -1.26 0.30 119.30 118.50 2bun s MET 106 Ca 0.31 0.68 -0.14 0.00 -1.25 0.00 0.00 55.69 55.30 2bun s MET 106 Cb -0.01 0.09 0.04 0.00 2.84 0.00 0.00 34.83 37.79 2bun s MET 106 CO 0.16 -0.11 1.71 1.96 -0.65 0.00 0.00 175.02 178.09 2bun h GLN 107 N 6.38 0.76 -4.46 4.11 1.08 -1.54 -3.35 115.11 118.08 2bun h GLN 107 Ca -0.32 -0.13 -0.73 0.00 -1.45 0.00 0.00 58.65 56.01 2bun h GLN 107 Cb 1.18 -0.12 -0.21 0.00 -0.05 0.00 0.00 27.48 28.27 2bun h GLN 107 CO 0.28 0.66 0.28 -0.51 -0.95 0.00 0.00 178.83 178.59 2bun s LEU 108 N -9.79 5.80 0.00 1.46 1.43 -1.26 -4.71 118.68 111.62 2bun s LEU 108 Ca -0.13 -2.03 0.00 0.00 -1.03 0.00 0.00 54.13 50.94 2bun s LEU 108 Cb 0.12 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2bun s LEU 108 CO 0.77 -0.91 0.00 -0.24 0.23 0.00 0.00 176.35 176.21 2bun n SER 109 N 5.55 0.02 0.00 2.29 2.88 -1.26 -4.84 113.62 118.26 2bun n SER 109 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2bun n SER 109 Cb 0.46 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bun n SER 111 N -0.27 -6.70 0.17 0.00 3.41 -1.26 -4.65 113.62 104.32 2bun n SER 111 Ca 0.00 0.92 0.09 0.00 -0.26 0.00 0.00 58.87 59.63 2bun n SER 111 Cb 0.00 -3.78 0.09 0.00 -0.26 0.00 0.00 64.21 60.26 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 -1.11 0.00 -1.94 4.33 5.08 -2.02 -3.47 114.58 115.46 2bun h GLU 112 Ca -0.10 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.88 2bun h GLU 112 Cb 1.08 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 2bun h GLU 112 CO 0.05 0.11 -0.40 0.00 -1.00 0.00 0.00 179.01 177.76 2bun n ALA 113 N -2.16 -0.44 0.00 3.43 0.00 -1.26 -4.74 120.51 115.35 2bun n ALA 113 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2bun n ALA 113 Cb 0.59 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.47 2.33 0.06 0.00 2.03 -1.26 -4.72 116.55 113.52 2bun n ASP 114 Ca -0.20 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.98 2bun n ASP 114 Cb 0.64 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.96 2bun n ASP 114 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2bun h MET 115 N 0.00 -0.11 0.00 -0.67 4.05 -2.00 -3.45 114.93 112.75 2bun h MET 115 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2bun h MET 115 Cb 0.75 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 2bun h MET 115 CO 0.00 0.07 0.00 0.54 0.23 0.00 0.00 176.91 177.75 2bun n ARG 116 N -5.06 0.00 -0.34 0.39 1.74 -1.26 -4.60 116.66 107.53 2bun n ARG 116 Ca -0.08 0.00 0.27 0.00 -0.77 0.00 0.00 57.85 57.26 2bun n ARG 116 Cb 0.14 -0.20 0.51 0.00 -1.02 0.00 0.00 32.46 31.89 2bun n ARG 116 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2bun h SER 117 N 0.00 0.45 -0.49 0.55 0.87 -1.93 0.28 113.55 113.29 2bun h SER 117 Ca 0.00 0.20 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 2bun h SER 117 Cb 0.00 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2bun h SER 117 CO 0.00 -0.20 0.43 0.17 -0.53 0.00 0.00 176.83 176.70 2bun h LEU 118 N 0.24 0.00 0.00 2.23 8.10 -1.92 -1.00 115.31 122.96 2bun h LEU 118 Ca 0.76 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.75 2bun h LEU 118 Cb 1.87 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.09 2bun h LEU 118 CO -0.62 0.00 -0.19 0.61 -4.11 0.00 0.00 178.44 174.13 2bun n GLY 119 N -1.55 0.49 0.13 0.17 0.00 0.01 -4.82 105.19 99.62 2bun n GLY 119 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2bun n GLY 119 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bun n LEU 120 N -0.46 1.93 -1.96 0.99 7.94 0.79 -4.52 117.00 121.71 2bun n LEU 120 Ca 0.00 0.36 -0.20 0.00 -1.11 0.00 0.00 56.01 55.07 2bun n LEU 120 Cb 0.00 -0.86 0.12 0.00 0.53 0.00 0.00 43.42 43.21 2bun n LEU 120 CO 0.00 0.48 1.14 0.00 -1.11 0.00 0.00 177.39 177.89 2bun n ALA 121 N -4.03 5.00 -4.03 1.96 0.00 -0.39 -4.66 120.51 114.37 2bun n ALA 121 Ca -0.48 -2.26 -0.31 0.00 0.00 0.00 0.00 53.44 50.39 2bun n ALA 121 Cb 0.82 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 2bun n ALA 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2bun s GLU 122 N -2.55 2.02 0.22 0.00 2.12 -1.19 -4.92 118.70 114.40 2bun s GLU 122 Ca 0.44 -1.25 -0.20 0.00 0.36 0.00 0.00 54.97 54.32 2bun s GLU 122 Cb 0.37 -2.80 -0.08 0.00 0.26 0.00 0.00 34.13 31.87 2bun s GLU 122 CO 0.07 -0.59 0.74 -1.54 -0.54 0.00 0.00 175.26 173.40 2bun s SER 123 N 1.19 7.09 -0.11 -1.70 1.04 -1.26 -4.97 113.70 114.98 2bun s SER 123 Ca -0.07 1.45 -0.04 0.00 0.48 0.00 0.00 55.95 57.77 2bun s SER 123 Cb -0.20 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.55 2bun s SER 123 CO -0.06 0.04 0.23 0.00 0.98 0.00 0.00 173.24 174.44 2bun s ARG 124 N -1.93 0.13 0.00 4.02 3.03 -1.26 -5.22 118.95 117.72 2bun s ARG 124 Ca 0.43 0.67 0.00 0.00 2.03 0.00 0.00 55.73 58.86 2bun s ARG 124 Cb -0.17 -0.10 0.00 0.00 -1.03 0.00 0.00 34.95 33.65 2bun s ARG 124 CO 0.21 -0.27 0.46 0.94 -1.13 0.00 0.00 175.30 175.51