#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 3.56 0.33 1.96 2.56 -1.26 -5.06 118.70 120.79 2bun s GLU 6 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 54.97 54.47 2bun s GLU 6 Cb 0.00 -2.77 -0.09 0.00 2.00 0.00 0.00 34.13 33.26 2bun s GLU 6 CO 0.00 0.34 1.11 0.00 -0.56 0.00 0.00 175.26 176.15 2bun s ALA 7 N -1.94 3.30 0.01 6.30 0.00 -1.26 -4.99 121.76 123.18 2bun s ALA 7 Ca 0.40 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 53.15 2bun s ALA 7 Cb -0.11 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2bun s ALA 7 CO 0.29 -0.26 1.08 0.22 0.00 0.00 0.00 175.76 177.10 2bun h ASP 8 N 3.30 -0.28 0.00 0.00 3.58 -2.03 -3.40 116.42 117.60 2bun h ASP 8 Ca -0.47 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2bun h ASP 8 Cb 1.22 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2bun h ASP 8 CO 0.65 -0.19 -0.08 1.33 -2.88 0.00 0.00 179.24 178.07 2bun n VAL 9 N -2.92 0.26 -0.67 2.25 0.24 -1.26 -5.13 118.33 111.09 2bun n VAL 9 Ca -0.04 -0.27 0.09 0.00 -2.04 0.00 0.00 64.34 62.08 2bun n VAL 9 Cb 0.13 0.78 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 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 -0.15 0.00 -1.11 3.34 -2.24 -1.26 -4.75 114.28 108.11 2bun n THR 10 Ca 0.01 0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 2bun n THR 10 Cb 0.49 -0.30 0.17 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.91 0.56 0.00 -0.78 -1.94 -1.26 -3.55 119.30 110.42 2bun s MET 11 Ca 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 2bun s MET 11 Cb 0.00 -1.74 0.00 0.00 2.01 0.00 0.00 34.83 35.10 2bun s MET 11 CO 0.00 -2.68 0.00 0.25 -0.01 0.00 0.00 175.02 172.58 2bun n THR 12 N -4.16 0.00 0.00 2.05 -2.24 -1.26 -4.76 114.28 103.90 2bun n THR 12 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2bun n THR 12 Cb 0.56 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2bun n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bun n GLY 13 N -2.00 2.04 2.05 3.38 0.00 -1.23 -4.34 105.19 105.08 2bun n GLY 13 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 5.63 -0.85 -2.74 1.61 3.41 -1.26 -4.79 113.62 114.63 2bun n SER 14 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2bun n SER 14 Cb 0.00 1.11 0.01 0.00 -0.26 0.00 0.00 64.21 65.07 2bun n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bun s ASP 15 N -1.82 -0.30 0.25 4.04 2.15 -1.26 -5.15 116.67 114.58 2bun s ASP 15 Ca 0.00 -0.21 0.09 0.00 0.43 0.00 0.00 52.55 52.86 2bun s ASP 15 Cb 0.00 0.39 -0.04 0.00 -0.30 0.00 0.00 42.92 42.97 2bun s ASP 15 CO 0.00 -0.03 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.20 2bun s LEU 16 N 1.69 3.17 0.00 -1.34 2.01 -1.12 -3.80 118.68 119.30 2bun s LEU 16 Ca 0.17 -0.63 -0.10 0.00 0.01 0.00 0.00 54.13 53.58 2bun s LEU 16 Cb 0.06 -1.72 0.01 0.00 0.01 0.00 0.00 46.19 44.55 2bun s LEU 16 CO -0.14 0.02 0.20 -0.69 1.01 0.00 0.00 176.35 176.75 2bun s VAL 17 N -2.23 0.08 -0.14 -1.59 1.01 0.15 -0.13 120.40 117.55 2bun s VAL 17 Ca 0.30 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2bun s VAL 17 Cb -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.78 2bun s VAL 17 CO 0.19 -0.37 0.02 -0.55 0.00 0.00 0.00 175.10 174.39 2bun s SER 18 N -1.50 2.35 -0.28 3.32 0.15 0.18 -0.82 113.70 117.10 2bun s SER 18 Ca -0.13 -0.51 -0.15 0.00 0.70 0.00 0.00 55.95 55.87 2bun s SER 18 Cb -0.06 -0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2bun s SER 18 CO 0.01 -0.25 0.38 0.00 1.20 0.00 0.00 173.24 174.58 2bun s TYR 21 N 1.32 2.84 -0.33 0.00 -0.85 0.34 -3.68 117.35 116.99 2bun s TYR 21 Ca -0.01 -0.07 -0.09 0.00 -0.52 0.00 0.00 57.07 56.39 2bun s TYR 21 Cb -0.20 -1.60 0.02 0.00 0.38 0.00 0.00 41.96 40.56 2bun s TYR 21 CO 0.01 0.35 0.14 0.50 -1.52 0.00 0.00 175.55 175.03 2bun s ARG 22 N -1.36 2.98 0.28 -3.49 3.00 0.10 -1.62 118.95 118.84 2bun s ARG 22 Ca 0.16 -0.95 0.05 0.00 -1.00 0.00 0.00 55.73 53.99 2bun s ARG 22 Cb -0.11 -3.55 -0.06 0.00 0.00 0.00 0.00 34.95 31.23 2bun s ARG 22 CO 0.07 -0.56 -0.01 0.45 0.00 0.00 0.00 175.30 175.25 2bun s SER 23 N 1.53 2.43 0.49 -2.12 0.15 0.10 -0.88 113.70 115.40 2bun s SER 23 Ca 0.02 -1.25 0.06 0.00 0.70 0.00 0.00 55.95 55.48 2bun s SER 23 Cb -0.18 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 2bun s SER 23 CO 0.05 -0.46 0.38 -0.76 1.20 0.00 0.00 173.24 173.64 2bun s LEU 24 N -3.42 2.97 -0.02 3.45 2.01 0.64 0.35 118.68 124.65 2bun s LEU 24 Ca 0.31 -1.07 0.07 0.00 0.01 0.00 0.00 54.13 53.45 2bun s LEU 24 Cb 0.06 -1.48 -0.02 0.00 0.01 0.00 0.00 46.19 44.76 2bun s LEU 24 CO 0.12 -0.91 -0.22 0.00 1.01 0.00 0.00 176.35 176.36 2bun s ALA 25 N -2.66 1.83 0.13 4.21 0.00 0.13 0.39 121.76 125.78 2bun s ALA 25 Ca 0.40 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 2bun s ALA 25 Cb -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 2bun s ALA 25 CO 0.24 0.44 1.30 0.00 0.00 0.00 0.00 175.76 177.74 2bun s ALA 26 N -0.49 3.50 -1.37 0.00 0.00 -1.25 -4.71 121.76 117.44 2bun s ALA 26 Ca 0.08 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.07 2bun s ALA 26 Cb -0.09 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.61 2bun s ALA 26 CO -0.01 -0.52 0.87 -0.35 0.00 0.00 0.00 175.76 175.76 2bun n PRO 27 N 3.49 0.02 -0.06 0.00 -0.04 -1.26 -1.31 135.00 135.83 2bun n PRO 27 Ca 0.09 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2bun n PRO 27 Cb 0.44 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.31 2.21 -4.74 3.54 5.75 -1.26 -5.03 116.55 115.71 2bun n ASP 28 Ca 0.01 -2.80 -0.42 0.00 -0.01 0.00 0.00 54.79 51.57 2bun n ASP 28 Cb 0.01 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.37 4.39 0.27 -2.12 1.43 -0.43 -4.97 118.68 114.88 2bun s LEU 29 Ca 0.24 2.57 -0.29 0.00 -1.03 0.00 0.00 54.13 55.62 2bun s LEU 29 Cb 0.21 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 2bun s LEU 29 CO 0.02 -0.68 1.00 0.42 0.23 0.00 0.00 176.35 177.35 2bun s THR 30 N 0.31 3.85 0.30 5.49 -4.23 -1.26 -4.93 115.64 115.18 2bun s THR 30 Ca 0.61 1.80 0.02 0.00 -1.18 0.00 0.00 61.69 62.94 2bun s THR 30 Cb -0.40 -4.12 0.29 0.00 1.34 0.00 0.00 72.50 69.60 2bun s THR 30 CO 0.39 0.38 1.88 0.25 -0.54 0.00 0.00 174.62 176.98 2bun h LEU 31 N 3.82 0.89 -1.89 4.79 5.85 -2.00 0.62 115.31 127.39 2bun h LEU 31 Ca -0.46 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2bun h LEU 31 Cb 1.20 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 2bun h LEU 31 CO 0.67 0.53 -0.09 -0.09 -0.34 0.00 0.00 178.44 179.11 2bun h ARG 32 N 0.99 0.00 -0.12 1.25 9.65 -1.98 0.15 114.38 124.31 2bun h ARG 32 Ca 0.44 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 59.15 2bun h ARG 32 Cb 0.36 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2bun h ARG 32 CO -0.19 0.09 -0.61 -0.44 2.80 0.00 0.00 179.97 181.62 2bun h ASP 33 N 0.00 0.49 0.25 -3.80 5.19 -1.26 0.35 116.42 117.63 2bun h ASP 33 Ca -0.00 -0.28 -0.18 0.00 -0.62 0.00 0.00 57.03 55.94 2bun h ASP 33 Cb 0.18 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 2bun h ASP 33 CO 0.01 0.98 -0.73 -0.07 -3.12 0.00 0.00 179.24 176.31 2bun h LEU 34 N 0.32 0.49 -0.27 1.55 -0.00 -0.33 -1.05 115.31 116.02 2bun h LEU 34 Ca -0.01 -0.32 -0.20 0.00 -0.00 0.00 0.00 57.88 57.35 2bun h LEU 34 Cb 1.15 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 2bun h LEU 34 CO 0.11 1.06 -0.62 -0.07 -0.00 0.00 0.00 178.44 178.92 2bun h LEU 35 N 0.28 0.94 -1.04 1.67 -0.00 -0.97 -1.98 115.31 114.22 2bun h LEU 35 Ca -0.03 -0.54 0.04 0.00 -0.00 0.00 0.00 57.88 57.35 2bun h LEU 35 Cb 1.31 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 41.64 2bun h LEU 35 CO 0.13 1.34 0.64 -0.78 -0.00 0.00 0.00 178.44 179.77 2bun h ASP 36 N 0.62 1.06 0.55 -0.43 3.58 -0.11 0.16 116.42 121.84 2bun h ASP 36 Ca -0.01 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2bun h ASP 36 Cb 1.23 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2bun h ASP 36 CO 0.13 0.71 -0.40 0.40 -2.88 0.00 0.00 179.24 177.21 2bun h ILE 37 N 1.22 0.00 -0.38 2.25 2.04 -0.87 -1.84 117.51 119.92 2bun h ILE 37 Ca 0.40 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.24 2bun h ILE 37 Cb 0.05 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 2bun h ILE 37 CO -0.13 0.00 0.17 1.62 0.00 0.00 0.00 178.15 179.81 2bun h VAL 38 N -0.91 1.18 0.00 1.67 3.04 -0.95 0.20 116.25 120.49 2bun h VAL 38 Ca -0.07 -0.53 -0.07 0.00 -1.01 0.00 0.00 66.70 65.02 2bun h VAL 38 Cb 0.75 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 2bun h VAL 38 CO 0.03 0.19 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.12 2bun h GLU 39 N 0.48 0.00 0.00 4.17 5.08 -0.75 -3.08 114.58 120.48 2bun h GLU 39 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2bun h GLU 39 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2bun h GLU 39 CO -0.01 0.33 -0.69 1.15 -1.00 0.00 0.00 179.01 178.79 2bun h THR 40 N 0.00 1.14 -0.15 1.13 2.02 -1.03 -3.39 112.91 112.63 2bun h THR 40 Ca -0.00 -2.11 0.05 0.00 0.77 0.00 0.00 66.41 65.12 2bun h THR 40 Cb 0.61 2.40 -0.07 0.00 -1.74 0.00 0.00 68.15 69.36 2bun h THR 40 CO 0.04 0.38 -0.36 0.77 0.37 0.00 0.00 175.52 176.73 2bun h SER 41 N -1.00 -1.12 -0.65 4.18 4.64 -0.56 -0.92 113.55 118.13 2bun h SER 41 Ca -0.18 0.16 0.12 0.00 -0.47 0.00 0.00 61.79 61.42 2bun h SER 41 Cb 1.08 0.47 -0.09 0.00 -0.31 0.00 0.00 62.40 63.55 2bun h SER 41 CO -0.11 -0.38 0.18 1.56 -0.87 0.00 0.00 176.83 177.21 2bun h GLN 42 N -0.42 0.31 -0.06 4.77 4.20 -1.78 0.72 115.11 122.85 2bun h GLN 42 Ca 0.09 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 2bun h GLN 42 Cb 0.58 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2bun h GLN 42 CO -0.38 0.20 -0.61 0.00 -0.67 0.00 0.00 178.83 177.38 2bun h ALA 43 N 1.50 0.87 0.26 3.87 0.00 -1.57 0.21 119.26 124.39 2bun h ALA 43 Ca 0.34 -0.55 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 2bun h ALA 43 Cb 0.51 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.25 2bun h ALA 43 CO -0.40 0.73 -1.50 1.25 0.00 0.00 0.00 179.25 179.34 2bun h HIS 44 N 0.15 0.98 -0.26 0.00 -0.00 -0.35 -3.08 115.15 112.61 2bun h HIS 44 Ca -0.01 -0.72 -0.12 0.00 -0.00 0.00 0.00 60.37 59.53 2bun h HIS 44 Cb 1.11 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.46 2bun h HIS 44 CO 0.02 1.57 -0.33 -0.91 -0.00 0.00 0.00 177.93 178.28 2bun h ASN 45 N 0.14 0.57 -0.54 3.26 4.21 0.61 0.47 115.58 124.29 2bun h ASN 45 Ca -0.26 -0.22 0.03 0.00 1.21 0.00 0.00 56.30 57.05 2bun h ASN 45 Cb 2.17 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 39.18 2bun h ASN 45 CO 0.27 0.86 0.32 0.00 -1.29 0.00 0.00 177.43 177.59 2bun h ALA 46 N 1.18 0.70 0.31 -0.83 0.00 -0.67 0.27 119.26 120.21 2bun h ALA 46 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bun h ALA 46 Cb 0.80 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2bun h ALA 46 CO 0.07 0.03 -0.15 -0.09 0.00 0.00 0.00 179.25 179.11 2bun h ARG 47 N 0.63 -0.40 0.00 0.00 2.43 -1.26 -2.91 114.38 112.87 2bun h ARG 47 Ca 0.22 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2bun h ARG 47 Cb 0.04 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2bun h ARG 47 CO -0.11 -0.13 0.00 0.00 -1.51 0.00 0.00 179.97 178.23 2bun n ALA 48 N -2.40 1.84 -1.71 2.80 0.00 0.16 -4.83 120.51 116.37 2bun n ALA 48 Ca -0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2bun n ALA 48 Cb 0.24 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.41 -0.64 -3.29 0.00 6.02 0.62 -4.68 117.38 114.01 2bun n GLN 49 Ca 0.06 0.61 -0.38 0.00 -0.01 0.00 0.00 57.00 57.27 2bun n GLN 49 Cb 0.17 -4.52 -0.06 0.00 1.02 0.00 0.00 30.24 26.85 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 -2.20 4.45 0.22 1.08 1.02 0.61 -4.75 118.68 119.11 2bun s LEU 50 Ca 0.00 1.12 0.11 0.00 0.02 0.00 0.00 54.13 55.38 2bun s LEU 50 Cb 0.00 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 43.33 2bun s LEU 50 CO 0.00 0.18 -0.16 0.42 0.02 0.00 0.00 176.35 176.81 2bun s THR 51 N -0.54 2.75 0.18 5.49 -4.23 0.56 -4.34 115.64 115.51 2bun s THR 51 Ca 0.29 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.58 2bun s THR 51 Cb -0.18 -2.38 0.08 0.00 1.34 0.00 0.00 72.50 71.36 2bun s THR 51 CO 0.16 -0.21 1.04 -0.83 -0.54 0.00 0.00 174.62 174.24 2bun s GLY 52 N -3.02 0.09 -0.04 3.99 0.00 -0.37 0.82 107.32 108.80 2bun s GLY 52 Ca 0.25 -0.31 -0.31 0.00 0.00 0.00 0.00 44.72 44.36 2bun s GLY 52 CO 0.14 2.28 1.12 0.00 0.00 0.00 0.00 173.10 176.64 2bun s ALA 53 N -2.23 -2.00 0.10 3.20 0.00 -1.13 -0.53 121.76 119.16 2bun s ALA 53 Ca 0.21 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 2bun s ALA 53 Cb -0.02 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2bun s ALA 53 CO 0.05 -0.83 0.36 -0.48 0.00 0.00 0.00 175.76 174.85 2bun s LEU 54 N -2.62 0.63 -0.23 0.00 0.05 -1.03 -2.46 118.68 113.03 2bun s LEU 54 Ca 0.10 -0.31 -0.02 0.00 0.05 0.00 0.00 54.13 53.95 2bun s LEU 54 Cb 0.01 1.64 0.07 0.00 -2.05 0.00 0.00 46.19 45.85 2bun s LEU 54 CO -0.04 -0.78 0.02 -0.36 -0.55 0.00 0.00 176.35 174.64 2bun s PHE 55 N -3.49 1.52 -0.14 3.48 0.08 0.14 -3.68 117.98 115.88 2bun s PHE 55 Ca 0.01 -1.26 0.01 0.00 0.12 0.00 0.00 56.93 55.82 2bun s PHE 55 Cb 0.02 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2bun s PHE 55 CO -0.10 -0.70 -0.18 -0.47 -0.10 0.00 0.00 175.22 173.68 2bun s TYR 56 N 1.69 2.39 -0.26 0.36 5.04 -1.26 -0.63 117.35 124.68 2bun s TYR 56 Ca -0.00 -1.29 -0.23 0.00 -2.44 0.00 0.00 57.07 53.11 2bun s TYR 56 Cb -0.18 -1.69 0.07 0.00 0.35 0.00 0.00 41.96 40.52 2bun s TYR 56 CO -0.11 -0.65 0.69 0.45 -1.34 0.00 0.00 175.55 174.60 2bun s SER 57 N 1.17 -0.74 0.00 4.32 0.15 -1.06 -4.87 113.70 112.67 2bun s SER 57 Ca -0.00 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2bun s SER 57 Cb -0.14 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 2bun s SER 57 CO -0.07 -0.24 0.00 0.00 1.20 0.00 0.00 173.24 174.13 2bun n GLN 58 N 2.88 -0.87 0.00 5.44 1.13 -1.26 -1.97 117.38 122.72 2bun n GLN 58 Ca -0.15 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2bun n GLN 58 Cb 0.56 -4.27 0.00 0.00 0.11 0.00 0.00 30.24 26.64 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bun n GLY 59 N -0.85 1.22 3.68 1.08 0.00 -1.26 -5.04 105.19 104.01 2bun n GLY 59 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.05 5.06 -0.26 1.61 0.11 -0.83 0.19 120.40 124.23 2bun s VAL 60 Ca 0.00 0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 2bun s VAL 60 Cb 0.00 -3.30 -0.05 0.00 -1.53 0.00 0.00 36.38 31.51 2bun s VAL 60 CO 0.00 0.45 0.16 -0.36 -3.33 0.00 0.00 175.10 172.02 2bun s PHE 61 N 0.38 3.23 -0.24 1.54 0.08 0.15 -2.55 117.98 120.57 2bun s PHE 61 Ca 0.05 0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 2bun s PHE 61 Cb -0.12 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 2bun s PHE 61 CO -0.01 -0.11 -0.09 0.12 -0.10 0.00 0.00 175.22 175.03 2bun s PHE 62 N 1.50 3.03 -0.02 0.36 5.36 0.20 0.02 117.98 128.43 2bun s PHE 62 Ca 0.07 -1.64 0.00 0.00 -0.96 0.00 0.00 56.93 54.41 2bun s PHE 62 Cb -0.15 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 2bun s PHE 62 CO 0.08 -0.75 0.01 -1.14 -1.46 0.00 0.00 175.22 171.95 2bun s GLN 63 N 1.30 0.17 0.11 10.12 -0.44 -0.64 0.25 119.66 130.52 2bun s GLN 63 Ca 0.00 0.08 -0.03 0.00 -2.50 0.00 0.00 55.36 52.91 2bun s GLN 63 Cb -0.16 -0.35 -0.03 0.00 -1.64 0.00 0.00 33.01 30.83 2bun s GLN 63 CO -0.06 -0.11 0.09 1.67 0.50 0.00 0.00 175.29 177.38 2bun s TRP 64 N 0.83 0.58 0.01 1.67 -2.14 -1.03 -0.51 118.94 118.36 2bun s TRP 64 Ca -0.08 -1.01 -0.01 0.00 2.66 0.00 0.00 56.10 57.65 2bun s TRP 64 Cb -0.11 -0.32 -0.01 0.00 -3.10 0.00 0.00 33.47 29.92 2bun s TRP 64 CO -0.02 -0.52 0.01 -0.48 -2.66 0.00 0.00 176.95 173.28 2bun s LEU 65 N -2.97 2.08 -0.19 -4.66 2.34 -0.95 -2.85 118.68 111.48 2bun s LEU 65 Ca 0.15 -0.39 -0.04 0.00 0.06 0.00 0.00 54.13 53.91 2bun s LEU 65 Cb 0.07 0.21 -0.02 0.00 -0.56 0.00 0.00 46.19 45.88 2bun s LEU 65 CO -0.04 -0.29 -0.04 -1.61 -1.06 0.00 0.00 176.35 173.31 2bun s GLU 66 N -1.31 3.49 0.17 1.48 2.02 0.24 -2.52 118.70 122.27 2bun s GLU 66 Ca -0.14 -0.59 -0.23 0.00 0.02 0.00 0.00 54.97 54.03 2bun s GLU 66 Cb -0.09 -2.95 0.07 0.00 0.10 0.00 0.00 34.13 31.27 2bun s GLU 66 CO -0.00 0.00 1.02 0.20 0.02 0.00 0.00 175.26 176.50 2bun s GLY 67 N 0.98 -0.01 0.08 -1.39 0.00 -0.00 -0.32 107.32 106.65 2bun s GLY 67 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.26 2bun s GLY 67 CO 0.01 1.55 1.38 -1.58 0.00 0.00 0.00 173.10 174.46 2bun s HIS 68 N -2.52 3.16 0.07 1.90 2.46 -1.26 0.35 115.29 119.45 2bun s HIS 68 Ca 0.19 0.94 -0.05 0.00 0.47 0.00 0.00 55.06 56.60 2bun s HIS 68 Cb -0.02 -3.66 0.06 0.00 -0.13 0.00 0.00 32.58 28.83 2bun s HIS 68 CO 0.04 -2.34 0.45 -2.30 -2.47 0.00 0.00 174.74 168.13 2bun n PRO 69 N 4.29 -0.07 0.17 2.88 -0.01 -1.25 0.27 135.00 141.28 2bun n PRO 69 Ca 0.12 0.45 0.04 0.00 -0.01 0.00 0.00 63.50 64.10 2bun n PRO 69 Cb 0.43 -0.67 0.23 0.00 -0.01 0.00 0.00 33.50 33.48 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 0.39 0.88 -0.25 3.55 0.00 -1.93 0.39 119.26 122.28 2bun h ALA 70 Ca 0.10 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2bun h ALA 70 Cb 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2bun h ALA 70 CO -0.29 0.55 -0.33 0.00 0.00 0.00 0.00 179.25 179.18 2bun h ALA 71 N 1.56 0.38 -0.53 0.00 0.00 -0.55 0.30 119.26 120.42 2bun h ALA 71 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bun h ALA 71 Cb 1.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2bun h ALA 71 CO 0.06 0.42 0.33 0.28 0.00 0.00 0.00 179.25 180.34 2bun h VAL 72 N 0.38 1.15 -0.24 0.00 2.07 -1.03 0.69 116.25 119.27 2bun h VAL 72 Ca 0.03 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 2bun h VAL 72 Cb 0.91 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2bun h VAL 72 CO 0.08 0.15 -0.46 0.00 0.02 0.00 0.00 177.57 177.36 2bun h ALA 73 N 1.17 0.74 -0.39 1.67 0.00 -0.77 0.71 119.26 122.38 2bun h ALA 73 Ca 0.19 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2bun h ALA 73 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2bun h ALA 73 CO -0.04 0.67 0.16 1.49 0.00 0.00 0.00 179.25 181.52 2bun h GLU 74 N 0.51 0.32 0.02 0.00 4.22 0.12 0.53 114.58 120.29 2bun h GLU 74 Ca 0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 2bun h GLU 74 Cb 0.99 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2bun h GLU 74 CO 0.09 0.21 -0.01 0.28 -2.18 0.00 0.00 179.01 177.40 2bun h VAL 75 N 0.33 1.04 -0.35 0.32 2.07 -0.60 -1.36 116.25 117.68 2bun h VAL 75 Ca 0.18 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2bun h VAL 75 Cb 0.14 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2bun h VAL 75 CO -0.17 0.04 -0.19 0.24 0.02 0.00 0.00 177.57 177.52 2bun h MET 76 N -0.10 -0.13 -0.65 1.57 2.86 0.12 0.55 114.93 119.15 2bun h MET 76 Ca -0.00 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2bun h MET 76 Cb 0.09 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 2bun h MET 76 CO 0.00 -0.09 0.34 1.03 1.06 0.00 0.00 176.91 179.26 2bun h SER 77 N -0.13 0.48 0.42 1.22 0.87 0.19 0.83 113.55 117.42 2bun h SER 77 Ca 0.18 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2bun h SER 77 Cb 0.41 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2bun h SER 77 CO -0.44 0.30 -0.31 0.45 -0.53 0.00 0.00 176.83 176.31 2bun h HIS 78 N 0.62 0.00 0.06 2.24 -0.00 -0.06 -3.16 115.15 114.85 2bun h HIS 78 Ca 0.30 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.33 2bun h HIS 78 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 2bun h HIS 78 CO -0.10 0.31 -1.95 -0.89 -0.00 0.00 0.00 177.93 175.30 2bun n ILE 79 N -3.95 1.67 0.31 2.45 5.41 0.06 -4.38 119.36 120.94 2bun n ILE 79 Ca -0.02 -0.72 0.12 0.00 1.00 0.00 0.00 62.75 63.14 2bun n ILE 79 Cb 0.37 -1.37 0.56 0.00 -0.71 0.00 0.00 39.64 38.49 2bun n ILE 79 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2bun h GLN 80 N 0.04 0.00 0.00 0.38 1.08 0.65 0.11 115.11 117.37 2bun h GLN 80 Ca -0.39 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.78 2bun h GLN 80 Cb 2.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.46 2bun h GLN 80 CO 0.07 0.00 -0.12 0.00 -0.95 0.00 0.00 178.83 177.83 2bun h ARG 81 N 0.00 0.00 -3.94 1.46 -0.00 -1.76 -3.49 114.38 106.66 2bun h ARG 81 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2bun h ARG 81 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.20 2bun h ARG 81 CO 0.00 0.12 -0.93 -3.47 0.00 0.00 0.00 179.97 175.69 2bun n ASP 82 N -4.10 -8.73 0.00 7.04 2.03 0.37 -5.07 116.55 108.09 2bun n ASP 82 Ca -0.02 1.28 0.00 0.00 0.52 0.00 0.00 54.79 56.56 2bun n ASP 82 Cb 0.20 -5.12 0.00 0.00 -0.72 0.00 0.00 41.12 35.48 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 -0.89 0.00 -0.79 -0.67 1.85 -1.26 -4.96 116.66 109.95 2bun n ARG 83 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 2bun n ARG 83 Cb 0.00 0.00 0.27 0.00 -1.05 0.00 0.00 32.46 31.68 2bun n ARG 83 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2bun n ARG 84 N -1.73 3.45 -0.19 2.89 3.00 -1.26 -4.94 116.66 117.88 2bun n ARG 84 Ca 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 57.85 55.40 2bun n ARG 84 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.41 2bun n ARG 84 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2bun n HIS 85 N 0.11 -0.09 -3.69 -1.55 1.44 -1.26 -4.81 115.22 105.36 2bun n HIS 85 Ca 0.29 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.82 2bun n HIS 85 Cb 1.13 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 31.06 2bun n HIS 85 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2bun s SER 86 N 1.58 0.81 0.00 4.39 0.01 0.16 -3.97 113.70 116.69 2bun s SER 86 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2bun s SER 86 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2bun s SER 86 CO 0.00 -0.22 0.00 0.59 0.41 0.00 0.00 173.24 174.02 2bun n ASN 87 N 5.03 0.00 -2.11 2.44 3.02 -1.26 -0.26 115.26 122.11 2bun n ASN 87 Ca -0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.37 2bun n ASN 87 Cb 0.50 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.00 -1.46 -3.34 2.41 3.14 -1.26 -4.90 118.33 112.92 2bun n VAL 88 Ca 0.00 0.18 -0.47 0.00 -2.96 0.00 0.00 64.34 61.09 2bun n VAL 88 Cb 0.00 -1.73 -0.02 0.00 -1.06 0.00 0.00 33.84 31.04 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 -0.84 3.65 0.00 1.45 2.02 -0.06 -4.89 118.70 120.04 2bun s GLU 89 Ca 0.08 -2.55 0.00 0.00 0.02 0.00 0.00 54.97 52.52 2bun s GLU 89 Cb -0.01 -4.43 0.00 0.00 0.10 0.00 0.00 34.13 29.79 2bun s GLU 89 CO 0.18 -1.28 0.80 -0.89 0.02 0.00 0.00 175.26 174.09 2bun n ILE 90 N 3.82 0.00 0.00 -1.63 2.08 -1.26 0.02 119.36 122.38 2bun n ILE 90 Ca 0.15 1.30 0.00 0.00 0.56 0.00 0.00 62.75 64.76 2bun n ILE 90 Cb 0.46 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.40 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 -1.97 0.00 -4.01 1.39 4.77 -1.26 -4.01 117.00 111.91 2bun n LEU 91 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 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 -0.46 0.00 -1.33 0.00 0.00 177.39 175.60 2bun s ALA 92 N -0.10 2.14 -0.20 -1.18 0.00 -1.24 -5.05 121.76 116.13 2bun s ALA 92 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 2bun s ALA 92 Cb 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.81 2bun s ALA 92 CO 0.00 -0.94 0.01 -1.21 0.00 0.00 0.00 175.76 173.61 2bun s GLU 93 N 1.33 0.95 0.07 0.00 2.02 -1.26 0.03 118.70 121.84 2bun s GLU 93 Ca -0.03 -0.57 0.10 0.00 0.02 0.00 0.00 54.97 54.48 2bun s GLU 93 Cb -0.17 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2bun s GLU 93 CO -0.07 -0.61 -0.26 -1.83 0.02 0.00 0.00 175.26 172.51 2bun s GLU 94 N 1.73 1.71 -0.20 1.61 -1.05 0.01 -4.93 118.70 117.57 2bun s GLU 94 Ca -0.02 -1.17 -0.29 0.00 -0.15 0.00 0.00 54.97 53.34 2bun s GLU 94 Cb -0.17 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 2bun s GLU 94 CO -0.07 0.50 1.03 0.45 0.95 0.00 0.00 175.26 178.11 2bun s SER 95 N -1.52 7.13 0.47 0.83 0.15 -1.26 0.52 113.70 120.02 2bun s SER 95 Ca 0.13 1.41 0.05 0.00 0.70 0.00 0.00 55.95 58.23 2bun s SER 95 Cb -0.10 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 2bun s SER 95 CO 0.04 -0.62 0.15 0.27 1.20 0.00 0.00 173.24 174.28 2bun s ILE 96 N 2.92 1.77 -1.94 6.45 -4.36 0.81 -4.87 121.20 121.98 2bun s ILE 96 Ca 0.45 -1.78 0.16 0.00 -0.26 0.00 0.00 60.65 59.21 2bun s ILE 96 Cb -0.16 -2.55 0.14 0.00 1.25 0.00 0.00 42.46 41.15 2bun s ILE 96 CO 0.09 0.00 1.02 0.00 0.24 0.00 0.00 174.94 176.29 2bun n ALA 97 N -1.33 2.46 -0.88 2.27 0.00 -1.26 -2.78 120.51 119.00 2bun n ALA 97 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2bun n ALA 97 Cb 0.66 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 0.89 0.00 -1.82 0.00 4.81 -1.26 -4.35 118.16 116.44 2bun n LYS 98 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.53 2bun n LYS 98 Cb 0.40 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.45 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 -0.06 -0.11 1.64 1.74 -1.26 -4.96 116.66 113.65 2bun n ARG 99 Ca 0.00 0.13 -0.22 0.00 -0.77 0.00 0.00 57.85 56.99 2bun n ARG 99 Cb 0.00 -3.67 -0.09 0.00 -1.02 0.00 0.00 32.46 27.67 2bun n ARG 99 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bun n ARG 100 N -1.45 0.56 -0.00 5.56 1.74 -1.26 -4.71 116.66 117.11 2bun n ARG 100 Ca -0.01 0.44 0.04 0.00 -0.77 0.00 0.00 57.85 57.56 2bun n ARG 100 Cb 0.41 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 2bun n ARG 100 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2bun n PHE 101 N -4.39 0.00 0.00 -1.55 3.01 -1.26 -5.00 117.46 108.27 2bun n PHE 101 Ca -0.36 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.10 2bun n PHE 101 Cb 0.70 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 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 -1.43 0.00 -3.02 4.37 0.00 -1.26 -4.78 120.51 114.39 2bun n ALA 102 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 2bun n ALA 102 Cb 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.30 0.01 0.12 0.00 0.00 -1.26 -4.84 107.32 100.05 2bun s GLY 103 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.10 2bun s GLY 103 CO 0.00 -0.45 0.80 0.86 0.00 0.00 0.00 173.10 174.31 2bun s TRP 104 N -3.88 3.83 0.04 1.90 -0.00 -1.24 -1.24 118.94 118.36 2bun s TRP 104 Ca 0.09 1.60 0.09 0.00 -0.00 0.00 0.00 56.10 57.88 2bun s TRP 104 Cb 0.01 -2.83 -0.03 0.00 -0.00 0.00 0.00 33.47 30.62 2bun s TRP 104 CO -0.05 0.38 -0.26 -1.01 -0.00 0.00 0.00 176.95 176.01 2bun s HIS 105 N -0.59 2.33 -0.07 5.86 3.76 0.31 -4.76 115.29 122.14 2bun s HIS 105 Ca 0.38 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.85 2bun s HIS 105 Cb -0.22 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 2bun s HIS 105 CO 0.26 0.11 0.10 1.41 -0.85 0.00 0.00 174.74 175.77 2bun s MET 106 N -1.18 3.26 -0.00 1.40 1.75 -1.26 -2.45 119.30 120.81 2bun s MET 106 Ca 0.12 -0.29 -0.19 0.00 -1.25 0.00 0.00 55.69 54.07 2bun s MET 106 Cb -0.10 -3.02 -0.30 0.00 2.84 0.00 0.00 34.83 34.26 2bun s MET 106 CO 0.02 0.72 1.01 0.37 -0.65 0.00 0.00 175.02 176.48 2bun h GLN 107 N 4.66 0.44 -3.19 4.11 5.75 -1.95 -3.35 115.11 121.57 2bun h GLN 107 Ca -0.52 -0.63 -0.79 0.00 -0.15 0.00 0.00 58.65 56.56 2bun h GLN 107 Cb 1.21 0.22 -0.24 0.00 1.07 0.00 0.00 27.48 29.73 2bun h GLN 107 CO 0.60 1.27 1.14 1.28 -2.65 0.00 0.00 178.83 180.46 2bun n LEU 108 N -4.02 6.40 -0.02 -2.39 7.99 -1.26 -4.64 117.00 119.07 2bun n LEU 108 Ca -0.13 -5.02 -0.16 0.00 -0.01 0.00 0.00 56.01 50.69 2bun n LEU 108 Cb 0.86 -1.36 -0.11 0.00 -0.11 0.00 0.00 43.42 42.70 2bun n LEU 108 CO 0.52 1.55 0.35 0.28 -1.51 0.00 0.00 177.39 178.58 2bun h SER 109 N 5.66 0.30 -0.00 -1.43 0.02 -2.01 -3.37 113.55 112.72 2bun h SER 109 Ca 0.26 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2bun h SER 109 Cb 0.64 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2bun h SER 109 CO 1.39 1.05 -0.06 0.00 -1.14 0.00 0.00 176.83 178.07 2bun n SER 111 N -0.87 -7.32 -0.34 0.00 3.41 -1.26 -4.65 113.62 102.59 2bun n SER 111 Ca 0.00 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 2bun n SER 111 Cb 0.03 -3.81 0.17 0.00 -0.26 0.00 0.00 64.21 60.34 2bun n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bun n GLU 112 N -3.69 1.52 -0.01 4.33 1.02 -1.26 -4.68 120.64 117.87 2bun n GLU 112 Ca 0.01 -2.85 -0.14 0.00 -0.02 0.00 0.00 57.16 54.16 2bun n GLU 112 Cb 0.64 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bun h ALA 113 N 0.48 0.47 0.00 0.62 0.00 -1.97 -2.03 119.26 116.82 2bun h ALA 113 Ca 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2bun h ALA 113 Cb 1.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2bun h ALA 113 CO 0.03 0.71 -0.16 0.22 0.00 0.00 0.00 179.25 180.05 2bun h ASP 114 N 0.47 0.00 1.78 0.00 3.58 -1.87 -0.50 116.42 119.88 2bun h ASP 114 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2bun h ASP 114 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2bun h ASP 114 CO 0.14 0.16 0.00 0.24 -2.88 0.00 0.00 179.24 176.90 2bun h MET 115 N 0.00 0.00 -2.70 0.28 2.86 -1.79 -3.47 114.93 110.11 2bun h MET 115 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 2bun h MET 115 Cb 0.82 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.43 2bun h MET 115 CO 0.02 0.00 -0.24 2.89 1.06 0.00 0.00 176.91 180.64 2bun n ARG 116 N -2.95 -1.77 0.00 1.72 0.00 -0.20 -4.81 116.66 108.66 2bun n ARG 116 Ca 0.04 0.59 0.10 0.00 -0.00 0.00 0.00 57.85 58.58 2bun n ARG 116 Cb 0.48 -4.99 0.47 0.00 -0.00 0.00 0.00 32.46 28.42 2bun n ARG 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2bun n SER 117 N -1.00 0.00 -0.11 2.89 7.64 -1.22 -1.45 113.62 120.36 2bun n SER 117 Ca -0.12 0.49 0.13 0.00 1.01 0.00 0.00 58.87 60.38 2bun n SER 117 Cb 0.48 -0.49 0.49 0.00 -1.01 0.00 0.00 64.21 63.68 2bun n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2bun n LEU 118 N -1.49 0.55 -1.00 -3.43 4.77 -1.26 -4.93 117.00 110.20 2bun n LEU 118 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2bun n LEU 118 Cb 0.25 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2bun n LEU 118 CO 0.20 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2bun n GLY 119 N 1.36 0.82 0.08 -0.72 0.00 -0.53 -5.00 105.19 101.20 2bun n GLY 119 Ca 0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.45 0.99 5.85 -1.88 -3.35 115.31 113.47 2bun h LEU 120 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 2bun h LEU 120 Cb 0.72 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 2bun h LEU 120 CO 0.00 0.87 0.26 0.00 -0.34 0.00 0.00 178.44 179.23 2bun n ALA 121 N -2.44 4.97 -2.03 1.25 0.00 -1.26 -4.88 120.51 116.13 2bun n ALA 121 Ca -0.09 -1.31 -0.40 0.00 0.00 0.00 0.00 53.44 51.64 2bun n ALA 121 Cb 0.95 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.16 4.76 0.34 0.00 2.56 -1.26 -5.04 118.70 118.91 2bun s GLU 122 Ca 0.26 1.45 0.07 0.00 0.00 0.00 0.00 54.97 56.74 2bun s GLU 122 Cb 0.19 -3.33 -0.07 0.00 2.00 0.00 0.00 34.13 32.92 2bun s GLU 122 CO -0.02 0.37 -0.02 0.45 -0.56 0.00 0.00 175.26 175.48 2bun s SER 123 N -0.57 3.18 -0.10 -1.70 0.15 -1.26 -5.01 113.70 108.38 2bun s SER 123 Ca 0.44 -1.29 0.14 0.00 0.70 0.00 0.00 55.95 55.93 2bun s SER 123 Cb -0.24 -0.25 0.37 0.00 -1.71 0.00 0.00 66.02 64.19 2bun s SER 123 CO 0.30 -0.41 1.29 0.54 1.20 0.00 0.00 173.24 176.16 2bun n ARG 124 N -0.76 2.65 0.00 5.44 5.12 -1.26 -5.27 116.66 122.57 2bun n ARG 124 Ca -0.04 -2.44 0.00 0.00 -1.93 0.00 0.00 57.85 53.44 2bun n ARG 124 Cb 0.65 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 2bun n ARG 124 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70