#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 3.85 -0.04 1.96 2.56 -1.26 -5.04 118.70 120.73 2bun s GLU 6 Ca 0.00 0.43 -0.22 0.00 0.00 0.00 0.00 54.97 55.17 2bun s GLU 6 Cb 0.00 -2.51 -0.04 0.00 2.00 0.00 0.00 34.13 33.58 2bun s GLU 6 CO 0.00 0.16 0.66 0.00 -0.56 0.00 0.00 175.26 175.52 2bun s ALA 7 N -2.04 3.39 0.32 6.30 0.00 -1.26 -5.04 121.76 123.43 2bun s ALA 7 Ca 0.50 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 2bun s ALA 7 Cb -0.11 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 2bun s ALA 7 CO 0.23 0.00 0.93 0.34 0.00 0.00 0.00 175.76 177.26 2bun s ASP 8 N 0.41 7.32 0.28 0.00 -1.08 -1.26 -4.95 116.67 117.39 2bun s ASP 8 Ca 0.35 1.81 0.01 0.00 -0.52 0.00 0.00 52.55 54.19 2bun s ASP 8 Cb -0.18 -2.57 0.55 0.00 -1.46 0.00 0.00 42.92 39.27 2bun s ASP 8 CO 0.18 -0.06 1.81 -0.37 0.52 0.00 0.00 175.17 177.25 2bun h VAL 9 N 2.62 0.86 -2.29 1.11 -1.51 -2.07 -3.48 116.25 111.49 2bun h VAL 9 Ca -0.47 -0.30 0.21 0.00 -1.23 0.00 0.00 66.70 64.91 2bun h VAL 9 Cb 1.19 -0.10 -0.08 0.00 -2.13 0.00 0.00 31.29 30.18 2bun h VAL 9 CO 0.65 0.16 -0.49 0.35 -1.23 0.00 0.00 177.57 177.01 2bun n THR 10 N -4.70 0.00 -3.33 7.19 -2.24 -1.26 -4.52 114.28 105.43 2bun n THR 10 Ca 0.18 0.24 -0.47 0.00 -2.27 0.00 0.00 64.05 61.74 2bun n THR 10 Cb 0.39 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 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 -3.00 3.71 -0.02 -0.78 -1.94 -1.26 -4.87 119.30 111.14 2bun s MET 11 Ca 0.00 -2.60 -0.23 0.00 -1.71 0.00 0.00 55.69 51.15 2bun s MET 11 Cb 0.00 -4.45 -0.21 0.00 2.01 0.00 0.00 34.83 32.18 2bun s MET 11 CO 0.00 -1.28 1.13 1.79 -0.01 0.00 0.00 175.02 176.65 2bun h THR 12 N 4.58 1.47 0.00 2.05 1.35 -1.84 -3.48 112.91 117.05 2bun h THR 12 Ca 0.12 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 2bun h THR 12 Cb 1.01 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 2bun h THR 12 CO 0.80 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 177.16 2bun n GLY 13 N 0.78 1.16 0.35 5.82 0.00 -1.25 -4.74 105.19 107.31 2bun n GLY 13 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2bun n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bun n SER 14 N 0.00 0.00 -2.46 1.61 7.64 -1.26 -4.81 113.62 114.34 2bun n SER 14 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2bun n SER 14 Cb 0.00 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2bun n ASP 15 N -1.92 5.21 -4.49 6.43 5.75 -1.26 -4.93 116.55 121.34 2bun n ASP 15 Ca 0.00 -3.74 -0.28 0.00 -0.01 0.00 0.00 54.79 50.76 2bun n ASP 15 Cb 0.00 -0.54 -0.11 0.00 -1.03 0.00 0.00 41.12 39.44 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 -3.63 2.69 -0.00 -2.12 2.01 -1.23 -3.86 118.68 112.54 2bun s LEU 16 Ca 0.50 -0.68 -0.16 0.00 0.01 0.00 0.00 54.13 53.80 2bun s LEU 16 Cb 0.41 -1.44 0.03 0.00 0.01 0.00 0.00 46.19 45.20 2bun s LEU 16 CO -0.18 0.13 0.33 -0.69 1.01 0.00 0.00 176.35 176.96 2bun s VAL 17 N -1.52 0.06 -0.15 -1.59 1.01 0.13 -0.01 120.40 118.34 2bun s VAL 17 Ca 0.21 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2bun s VAL 17 Cb -0.09 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.63 2bun s VAL 17 CO 0.12 -0.27 0.01 -0.94 0.00 0.00 0.00 175.10 174.02 2bun s SER 18 N -1.47 2.43 -0.16 3.32 1.04 0.14 0.04 113.70 119.03 2bun s SER 18 Ca -0.12 -0.54 -0.21 0.00 0.48 0.00 0.00 55.95 55.56 2bun s SER 18 Cb -0.04 -0.59 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 2bun s SER 18 CO 0.03 -0.25 0.64 0.00 0.98 0.00 0.00 173.24 174.64 2bun s TYR 21 N 0.48 0.82 0.10 0.00 -0.85 -0.66 -3.30 117.35 113.94 2bun s TYR 21 Ca -0.12 -1.11 0.09 0.00 -0.52 0.00 0.00 57.07 55.41 2bun s TYR 21 Cb -0.16 -0.49 -0.03 0.00 0.38 0.00 0.00 41.96 41.65 2bun s TYR 21 CO 0.05 -0.38 -0.22 -0.98 -1.52 0.00 0.00 175.55 172.50 2bun s ARG 22 N -3.96 1.21 0.13 -3.49 3.03 -0.15 -2.43 118.95 113.29 2bun s ARG 22 Ca 0.17 -1.17 -0.06 0.00 2.03 0.00 0.00 55.73 56.70 2bun s ARG 22 Cb 0.07 -1.50 -0.02 0.00 -1.03 0.00 0.00 34.95 32.47 2bun s ARG 22 CO -0.02 0.35 0.16 -1.54 -1.13 0.00 0.00 175.30 173.12 2bun s SER 23 N -1.85 0.19 -0.48 -2.89 1.04 0.15 -0.92 113.70 108.94 2bun s SER 23 Ca 0.08 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.61 2bun s SER 23 Cb -0.10 0.35 0.42 0.00 0.10 0.00 0.00 66.02 66.79 2bun s SER 23 CO 0.04 -0.78 1.35 0.18 0.98 0.00 0.00 173.24 175.02 2bun n LEU 24 N -0.11 5.46 0.00 2.42 7.99 -1.26 -0.04 117.00 131.46 2bun n LEU 24 Ca -0.09 -4.94 0.00 0.00 -0.01 0.00 0.00 56.01 50.97 2bun n LEU 24 Cb 0.63 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 2bun n LEU 24 CO 0.26 2.06 0.00 0.00 -1.51 0.00 0.00 177.39 178.20 2bun n ALA 25 N -0.60 -0.68 -1.75 -1.18 0.00 -0.93 -4.38 120.51 111.00 2bun n ALA 25 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 2bun n ALA 25 Cb 0.69 0.00 0.04 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 s ALA 26 N 0.00 2.61 -0.60 0.00 0.00 0.57 -4.69 121.76 119.65 2bun s ALA 26 Ca 0.00 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.27 2bun s ALA 26 Cb 0.00 -3.52 0.67 0.00 0.00 0.00 0.00 23.12 20.28 2bun s ALA 26 CO 0.00 -1.34 1.41 -0.35 0.00 0.00 0.00 175.76 175.49 2bun n PRO 27 N -1.43 0.08 0.02 0.00 -0.04 -1.26 -1.33 135.00 131.04 2bun n PRO 27 Ca 0.13 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 2bun n PRO 27 Cb 0.47 -1.74 0.51 0.00 -0.04 0.00 0.00 33.50 32.71 2bun n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bun n ASP 28 N -1.91 0.15 -4.77 3.54 8.00 -1.26 -4.87 116.55 115.44 2bun n ASP 28 Ca 0.00 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.63 2bun n ASP 28 Cb 0.06 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.59 2bun n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bun s LEU 29 N -3.29 4.19 -0.01 0.64 1.43 -0.45 -5.03 118.68 116.16 2bun s LEU 29 Ca 0.11 2.52 0.05 0.00 -1.03 0.00 0.00 54.13 55.78 2bun s LEU 29 Cb 0.15 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 2bun s LEU 29 CO 0.47 -0.80 -0.16 0.42 0.23 0.00 0.00 176.35 176.51 2bun s THR 30 N -1.33 1.24 0.23 5.49 -4.23 -1.26 -5.04 115.64 110.73 2bun s THR 30 Ca 0.58 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 2bun s THR 30 Cb -0.35 -1.03 0.18 0.00 1.34 0.00 0.00 72.50 72.64 2bun s THR 30 CO 0.44 0.35 1.78 0.25 -0.54 0.00 0.00 174.62 176.90 2bun h LEU 31 N 5.77 0.49 -1.68 4.79 5.85 -2.00 -0.31 115.31 128.23 2bun h LEU 31 Ca -0.35 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2bun h LEU 31 Cb 1.16 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2bun h LEU 31 CO 0.49 0.28 0.01 -0.09 -0.34 0.00 0.00 178.44 178.78 2bun h ARG 32 N 0.62 0.21 -0.51 1.25 9.65 -1.98 0.51 114.38 124.14 2bun h ARG 32 Ca 0.35 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 59.11 2bun h ARG 32 Cb 0.36 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 2bun h ARG 32 CO -0.26 0.22 -0.07 -0.44 2.80 0.00 0.00 179.97 182.22 2bun h ASP 33 N 0.21 0.94 -0.68 -3.80 5.19 -1.49 0.18 116.42 116.96 2bun h ASP 33 Ca 0.05 -0.34 -0.06 0.00 -0.62 0.00 0.00 57.03 56.06 2bun h ASP 33 Cb 0.13 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 2bun h ASP 33 CO 0.00 1.05 0.21 -0.07 -3.12 0.00 0.00 179.24 177.31 2bun h LEU 34 N 0.80 1.01 -0.61 1.55 -0.00 -0.33 0.69 115.31 118.42 2bun h LEU 34 Ca 0.13 -0.19 -0.11 0.00 -0.00 0.00 0.00 57.88 57.72 2bun h LEU 34 Cb 0.61 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2bun h LEU 34 CO 0.04 0.94 -0.08 -0.07 -0.00 0.00 0.00 178.44 179.27 2bun h LEU 35 N 1.03 1.01 -0.56 1.67 -0.00 -0.84 0.20 115.31 117.82 2bun h LEU 35 Ca 0.23 -0.32 -0.14 0.00 -0.00 0.00 0.00 57.88 57.65 2bun h LEU 35 Cb 0.30 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 2bun h LEU 35 CO -0.01 1.11 -0.31 0.44 -0.00 0.00 0.00 178.44 179.67 2bun h ASP 36 N 0.91 0.86 0.66 -0.43 3.32 -0.31 -2.56 116.42 118.87 2bun h ASP 36 Ca 0.15 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 2bun h ASP 36 Cb 0.64 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2bun h ASP 36 CO 0.04 1.09 -0.42 0.40 -1.72 0.00 0.00 179.24 178.64 2bun h ILE 37 N 0.69 0.16 -0.11 0.35 2.04 -0.27 -1.04 117.51 119.33 2bun h ILE 37 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 2bun h ILE 37 Cb 0.85 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2bun h ILE 37 CO 0.07 0.00 -0.16 1.62 0.00 0.00 0.00 178.15 179.68 2bun h VAL 38 N -1.02 0.57 -0.28 1.67 3.04 -0.66 0.19 116.25 119.77 2bun h VAL 38 Ca -0.08 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.65 2bun h VAL 38 Cb 0.83 0.57 -0.04 0.00 -2.01 0.00 0.00 31.29 30.65 2bun h VAL 38 CO 0.08 0.00 0.04 -0.33 -1.01 0.00 0.00 177.57 176.35 2bun h GLU 39 N -0.21 0.14 -0.23 4.17 3.07 -1.46 -2.46 114.58 117.60 2bun h GLU 39 Ca 0.09 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 2bun h GLU 39 Cb 0.34 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2bun h GLU 39 CO -0.24 0.09 -0.43 1.15 -1.40 0.00 0.00 179.01 178.18 2bun h THR 40 N 0.14 1.30 0.32 1.13 2.02 -0.87 -3.26 112.91 113.70 2bun h THR 40 Ca 0.13 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 2bun h THR 40 Cb 0.14 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2bun h THR 40 CO -0.18 0.51 -0.15 -1.28 0.37 0.00 0.00 175.52 174.78 2bun h SER 41 N 0.46 -0.36 -0.39 4.18 0.87 -0.22 -2.73 113.55 115.36 2bun h SER 41 Ca 0.03 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2bun h SER 41 Cb 0.94 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 2bun h SER 41 CO 0.08 -0.20 0.16 1.56 -0.53 0.00 0.00 176.83 177.91 2bun h GLN 42 N -0.50 0.33 -0.25 2.24 4.20 -1.52 0.43 115.11 120.04 2bun h GLN 42 Ca -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2bun h GLN 42 Cb 0.38 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2bun h GLN 42 CO 0.07 0.22 0.11 0.00 -0.67 0.00 0.00 178.83 178.56 2bun h ALA 43 N 1.23 1.73 0.10 3.87 0.00 -1.58 0.34 119.26 124.95 2bun h ALA 43 Ca 0.17 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 2bun h ALA 43 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bun h ALA 43 CO -0.15 0.23 -1.46 1.25 0.00 0.00 0.00 179.25 179.11 2bun h HIS 44 N 0.34 0.38 -0.39 0.00 -0.00 -1.07 -3.22 115.15 111.19 2bun h HIS 44 Ca 0.09 -0.28 -0.07 0.00 -0.00 0.00 0.00 60.37 60.11 2bun h HIS 44 Cb 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 2bun h HIS 44 CO 0.00 1.57 -0.02 -0.91 -0.00 0.00 0.00 177.93 178.58 2bun h ASN 45 N -0.35 0.69 -0.29 3.26 4.21 0.22 0.64 115.58 123.97 2bun h ASN 45 Ca -0.32 -0.32 -0.06 0.00 1.21 0.00 0.00 56.30 56.80 2bun h ASN 45 Cb 1.73 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 38.73 2bun h ASN 45 CO 0.03 0.85 -0.02 0.00 -1.29 0.00 0.00 177.43 177.00 2bun h ALA 46 N 0.87 1.23 -0.14 -0.83 0.00 -0.47 0.49 119.26 120.41 2bun h ALA 46 Ca 0.11 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2bun h ALA 46 Cb 0.50 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bun h ALA 46 CO 0.02 0.51 -0.51 -0.09 0.00 0.00 0.00 179.25 179.18 2bun h ARG 47 N 0.60 0.59 0.00 0.00 2.43 -1.47 -2.91 114.38 113.62 2bun h ARG 47 Ca 0.12 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2bun h ARG 47 Cb 0.41 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2bun h ARG 47 CO 0.02 1.07 0.00 0.00 -1.51 0.00 0.00 179.97 179.55 2bun n ALA 48 N -2.55 2.52 -1.04 2.80 0.00 0.22 -4.87 120.51 117.60 2bun n ALA 48 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 2bun n ALA 48 Cb 0.60 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.14 -0.14 -2.84 0.00 6.02 0.58 -4.71 117.38 115.15 2bun n GLN 49 Ca 0.18 0.43 -0.42 0.00 -0.01 0.00 0.00 57.00 57.18 2bun n GLN 49 Cb 0.17 -3.89 -0.04 0.00 1.02 0.00 0.00 30.24 27.50 2bun n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bun s LEU 50 N -0.30 4.23 0.09 1.08 1.02 0.14 -4.71 118.68 120.21 2bun s LEU 50 Ca 0.00 1.31 0.06 0.00 0.02 0.00 0.00 54.13 55.52 2bun s LEU 50 Cb 0.00 -3.33 -0.04 0.00 0.02 0.00 0.00 46.19 42.85 2bun s LEU 50 CO 0.00 -0.37 -0.08 0.42 0.02 0.00 0.00 176.35 176.34 2bun s THR 51 N 1.87 3.49 0.19 5.49 -4.23 0.73 -4.09 115.64 119.10 2bun s THR 51 Ca 0.42 -1.16 -0.22 0.00 -1.18 0.00 0.00 61.69 59.55 2bun s THR 51 Cb -0.17 -2.62 0.08 0.00 1.34 0.00 0.00 72.50 71.12 2bun s THR 51 CO 0.16 0.16 1.03 -0.83 -0.54 0.00 0.00 174.62 174.59 2bun s GLY 52 N -2.09 0.11 -0.08 3.99 0.00 0.31 0.81 107.32 110.37 2bun s GLY 52 Ca 0.21 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.29 2bun s GLY 52 CO 0.13 2.28 0.96 0.00 0.00 0.00 0.00 173.10 176.47 2bun s ALA 53 N -2.21 -1.89 -0.11 3.20 0.00 -1.21 -0.92 121.76 118.62 2bun s ALA 53 Ca 0.21 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 2bun s ALA 53 Cb -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2bun s ALA 53 CO 0.05 -0.53 0.30 -0.48 0.00 0.00 0.00 175.76 175.11 2bun s LEU 54 N -1.91 0.84 -0.26 0.00 0.05 -0.09 -2.85 118.68 114.46 2bun s LEU 54 Ca 0.03 0.59 0.02 0.00 0.05 0.00 0.00 54.13 54.82 2bun s LEU 54 Cb -0.01 1.05 0.06 0.00 -2.05 0.00 0.00 46.19 45.24 2bun s LEU 54 CO -0.04 -0.12 -0.07 -0.36 -0.55 0.00 0.00 176.35 175.21 2bun s PHE 55 N 0.11 2.91 -0.42 3.48 0.08 0.91 -2.23 117.98 122.83 2bun s PHE 55 Ca -0.00 -2.13 -0.16 0.00 0.12 0.00 0.00 56.93 54.76 2bun s PHE 55 Cb -0.02 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2bun s PHE 55 CO 0.01 -0.84 0.37 -0.47 -0.10 0.00 0.00 175.22 174.18 2bun s TYR 56 N 1.22 3.21 -0.33 0.36 6.14 -1.26 -1.05 117.35 125.64 2bun s TYR 56 Ca -0.06 -0.50 0.02 0.00 0.64 0.00 0.00 57.07 57.17 2bun s TYR 56 Cb -0.19 -2.76 0.10 0.00 0.42 0.00 0.00 41.96 39.53 2bun s TYR 56 CO -0.06 -0.65 0.07 -1.12 0.64 0.00 0.00 175.55 174.43 2bun s SER 57 N 1.78 4.41 0.00 4.32 0.01 0.47 -4.84 113.70 119.85 2bun s SER 57 Ca 0.08 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.43 2bun s SER 57 Cb -0.18 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.79 2bun s SER 57 CO 0.12 -0.40 0.00 1.67 0.41 0.00 0.00 173.24 175.04 2bun n GLN 58 N 4.53 0.00 0.00 12.44 -0.06 -1.26 -1.43 117.38 131.60 2bun n GLN 58 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 2bun n GLN 58 Cb 0.42 -3.52 0.00 0.00 -4.06 0.00 0.00 30.24 23.08 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 -2.00 1.04 3.72 1.69 0.00 -1.26 -5.10 105.19 103.27 2bun n GLY 59 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.80 -0.31 1.61 -7.23 -0.51 -2.19 120.40 116.56 2bun s VAL 60 Ca 0.00 1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 62.14 2bun s VAL 60 Cb 0.00 -4.29 0.05 0.00 0.56 0.00 0.00 36.38 32.71 2bun s VAL 60 CO 0.00 0.21 0.03 0.12 -0.31 0.00 0.00 175.10 175.15 2bun s PHE 61 N 0.73 3.30 -0.25 2.82 2.19 0.95 -0.39 117.98 127.31 2bun s PHE 61 Ca 0.49 -1.89 -0.05 0.00 0.33 0.00 0.00 56.93 55.81 2bun s PHE 61 Cb -0.21 -2.22 -0.00 0.00 -1.31 0.00 0.00 43.02 39.27 2bun s PHE 61 CO 0.27 -0.81 0.01 0.12 1.83 0.00 0.00 175.22 176.64 2bun s PHE 62 N 1.25 3.05 -0.02 10.12 5.36 -0.21 0.33 117.98 137.87 2bun s PHE 62 Ca -0.04 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 2bun s PHE 62 Cb -0.20 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 2bun s PHE 62 CO -0.01 -0.55 0.02 -1.14 -1.46 0.00 0.00 175.22 172.08 2bun s GLN 63 N 1.49 0.02 0.15 10.12 -0.44 -1.02 -0.06 119.66 129.91 2bun s GLN 63 Ca 0.04 0.14 -0.04 0.00 -2.50 0.00 0.00 55.36 53.00 2bun s GLN 63 Cb -0.16 -0.25 -0.03 0.00 -1.64 0.00 0.00 33.01 30.94 2bun s GLN 63 CO -0.01 -0.14 0.15 1.67 0.50 0.00 0.00 175.29 177.47 2bun s TRP 64 N 0.91 0.70 -0.09 1.67 -2.14 -1.13 -1.65 118.94 117.21 2bun s TRP 64 Ca -0.08 -1.06 -0.08 0.00 2.66 0.00 0.00 56.10 57.54 2bun s TRP 64 Cb -0.11 -0.32 0.02 0.00 -3.10 0.00 0.00 33.47 29.96 2bun s TRP 64 CO -0.02 -0.61 0.24 -0.48 -2.66 0.00 0.00 176.95 173.41 2bun s LEU 65 N -3.03 1.09 -0.23 -4.66 2.34 -0.96 -3.36 118.68 109.87 2bun s LEU 65 Ca 0.23 0.48 -0.11 0.00 0.06 0.00 0.00 54.13 54.78 2bun s LEU 65 Cb 0.06 0.81 -0.05 0.00 -0.56 0.00 0.00 46.19 46.45 2bun s LEU 65 CO 0.02 -0.08 0.19 -1.61 -1.06 0.00 0.00 176.35 173.81 2bun s GLU 66 N 0.14 4.08 0.19 1.48 2.02 0.24 -2.53 118.70 124.32 2bun s GLU 66 Ca -0.00 -0.21 -0.23 0.00 0.02 0.00 0.00 54.97 54.56 2bun s GLU 66 Cb -0.02 -3.54 0.07 0.00 0.10 0.00 0.00 34.13 30.75 2bun s GLU 66 CO 0.00 0.05 1.00 0.20 0.02 0.00 0.00 175.26 176.53 2bun s GLY 67 N 1.05 0.02 0.09 -1.39 0.00 0.11 -0.19 107.32 107.01 2bun s GLY 67 Ca 0.09 -0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.29 2bun s GLY 67 CO 0.05 1.44 1.40 -1.58 0.00 0.00 0.00 173.10 174.41 2bun s HIS 68 N -2.52 3.14 0.20 1.90 2.46 -1.25 0.19 115.29 119.40 2bun s HIS 68 Ca 0.18 0.91 -0.03 0.00 0.47 0.00 0.00 55.06 56.59 2bun s HIS 68 Cb -0.02 -3.69 0.40 0.00 -0.13 0.00 0.00 32.58 29.14 2bun s HIS 68 CO 0.05 -2.44 1.06 -2.30 -2.47 0.00 0.00 174.74 168.64 2bun n PRO 69 N 4.28 -0.06 0.19 2.88 -0.01 -1.25 0.27 135.00 141.30 2bun n PRO 69 Ca 0.12 1.05 0.06 0.00 -0.01 0.00 0.00 63.50 64.72 2bun n PRO 69 Cb 0.43 -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 1.36 1.00 -0.14 3.55 0.00 -1.93 0.13 119.26 123.23 2bun h ALA 70 Ca 0.36 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 2bun h ALA 70 Cb 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2bun h ALA 70 CO -0.68 0.43 -0.71 0.00 0.00 0.00 0.00 179.25 178.30 2bun h ALA 71 N 1.65 0.28 -0.64 0.00 0.00 -0.56 -0.06 119.26 119.94 2bun h ALA 71 Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2bun h ALA 71 Cb 0.87 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2bun h ALA 71 CO 0.05 0.60 0.19 0.28 0.00 0.00 0.00 179.25 180.37 2bun h VAL 72 N 0.43 1.24 -0.03 0.00 2.07 -1.00 -1.10 116.25 117.87 2bun h VAL 72 Ca -0.05 -0.84 -0.17 0.00 0.82 0.00 0.00 66.70 66.46 2bun h VAL 72 Cb 1.34 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2bun h VAL 72 CO 0.15 0.32 -0.74 0.00 0.02 0.00 0.00 177.57 177.32 2bun h ALA 73 N 1.26 0.70 -0.78 1.67 0.00 -0.61 0.57 119.26 122.06 2bun h ALA 73 Ca 0.21 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2bun h ALA 73 Cb 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2bun h ALA 73 CO -0.01 0.84 0.40 1.49 0.00 0.00 0.00 179.25 181.97 2bun h GLU 74 N 0.12 1.11 0.19 0.00 4.22 -0.43 0.41 114.58 120.20 2bun h GLU 74 Ca -0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.26 2bun h GLU 74 Cb 1.31 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2bun h GLU 74 CO 0.11 0.84 -0.09 0.28 -2.18 0.00 0.00 179.01 177.97 2bun h VAL 75 N 1.10 0.85 -0.41 0.32 2.07 -0.90 -1.83 116.25 117.46 2bun h VAL 75 Ca 0.27 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.67 2bun h VAL 75 Cb 0.08 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 2bun h VAL 75 CO -0.04 0.05 -0.17 0.24 0.02 0.00 0.00 177.57 177.67 2bun h MET 76 N -0.36 -0.09 -0.60 1.57 2.86 0.62 0.20 114.93 119.12 2bun h MET 76 Ca -0.03 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2bun h MET 76 Cb 0.28 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 2bun h MET 76 CO 0.04 -0.06 0.28 1.03 1.06 0.00 0.00 176.91 179.27 2bun h SER 77 N -0.09 0.37 0.74 1.22 0.87 -0.11 0.56 113.55 117.10 2bun h SER 77 Ca 0.20 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 2bun h SER 77 Cb 0.40 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2bun h SER 77 CO -0.47 0.23 -0.37 0.45 -0.53 0.00 0.00 176.83 176.14 2bun h HIS 78 N 0.52 0.00 0.03 2.24 3.86 -0.59 -3.27 115.15 117.95 2bun h HIS 78 Ca 0.29 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.30 2bun h HIS 78 Cb 0.26 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2bun h HIS 78 CO -0.12 0.37 -1.03 0.82 0.86 0.00 0.00 177.93 178.83 2bun h ILE 79 N 0.00 1.14 0.00 2.45 2.04 0.78 -3.35 117.51 120.57 2bun h ILE 79 Ca -0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.57 2bun h ILE 79 Cb 0.84 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2bun h ILE 79 CO 0.05 0.50 0.00 1.56 0.00 0.00 0.00 178.15 180.26 2bun h GLN 80 N -0.78 0.00 -0.97 2.37 1.08 -0.06 -1.69 115.11 115.05 2bun h GLN 80 Ca -0.26 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.94 2bun h GLN 80 Cb 1.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.80 2bun h GLN 80 CO -0.08 0.00 0.01 0.54 -0.95 0.00 0.00 178.83 178.35 2bun n ARG 81 N -2.91 1.25 -1.10 1.46 1.74 -1.23 -4.93 116.66 110.94 2bun n ARG 81 Ca -0.02 -0.23 -0.37 0.00 -0.77 0.00 0.00 57.85 56.46 2bun n ARG 81 Cb 0.10 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.10 -4.83 -0.43 0.55 2.03 -0.64 -4.97 116.55 108.37 2bun n ASP 82 Ca 0.02 0.38 -0.00 0.00 0.52 0.00 0.00 54.79 55.72 2bun n ASP 82 Cb 0.36 -0.83 -0.00 0.00 -0.72 0.00 0.00 41.12 39.93 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 1.86 0.00 0.00 -0.67 1.85 -1.26 -5.00 116.66 113.44 2bun n ARG 83 Ca 0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2bun n ARG 83 Cb 0.52 0.43 0.00 0.00 -1.05 0.00 0.00 32.46 32.36 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 0.00 0.00 -3.31 2.89 3.00 -1.26 -4.85 116.66 113.13 2bun n ARG 84 Ca -0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.47 2bun n ARG 84 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 32.46 32.53 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 -2.17 3.42 0.00 -1.55 1.44 -1.26 -0.31 115.22 114.79 2bun n HIS 85 Ca 0.00 -3.52 0.00 0.00 -2.01 0.00 0.00 57.72 52.19 2bun n HIS 85 Cb 0.00 -1.09 0.00 0.00 0.12 0.00 0.00 29.99 29.02 2bun n HIS 85 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2bun n SER 86 N 1.59 0.00 0.00 4.39 7.64 -1.26 -0.53 113.62 125.45 2bun n SER 86 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2bun n SER 86 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2bun n SER 86 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2bun n ASN 87 N 0.00 0.00 -2.86 6.43 3.02 -1.26 -4.87 115.26 115.71 2bun n ASN 87 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2bun n ASN 87 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.09 -3.15 2.41 3.14 0.31 -4.88 118.33 114.07 2bun n VAL 88 Ca 0.00 0.02 -0.45 0.00 -2.96 0.00 0.00 64.34 60.95 2bun n VAL 88 Cb 0.00 -1.89 -0.03 0.00 -1.06 0.00 0.00 33.84 30.86 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 -2.55 3.40 0.00 1.45 2.02 -0.10 -4.88 118.70 118.05 2bun s GLU 89 Ca 0.12 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.23 2bun s GLU 89 Cb -0.01 -4.51 0.00 0.00 0.10 0.00 0.00 34.13 29.71 2bun s GLU 89 CO 0.53 -1.51 0.94 -0.89 0.02 0.00 0.00 175.26 174.35 2bun n ILE 90 N 4.94 0.00 0.00 -1.63 2.08 -1.26 -0.98 119.36 122.51 2bun n ILE 90 Ca 0.08 1.44 0.00 0.00 0.56 0.00 0.00 62.75 64.83 2bun n ILE 90 Cb 0.46 -2.09 0.00 0.00 -0.75 0.00 0.00 39.64 37.26 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 -2.49 0.00 -3.78 1.39 4.77 -1.26 -3.92 117.00 111.70 2bun n LEU 91 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2bun n LEU 91 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2bun n LEU 91 CO 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 177.39 175.68 2bun s ALA 92 N -0.30 1.07 -0.25 -1.18 0.00 -1.21 -5.07 121.76 114.81 2bun s ALA 92 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2bun s ALA 92 Cb 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 23.12 22.10 2bun s ALA 92 CO 0.00 -0.94 -0.10 -1.21 0.00 0.00 0.00 175.76 173.51 2bun s GLU 93 N 1.82 2.07 -0.03 0.00 2.02 -1.26 -0.46 118.70 122.86 2bun s GLU 93 Ca 0.00 -1.22 0.05 0.00 0.02 0.00 0.00 54.97 53.83 2bun s GLU 93 Cb -0.16 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 2bun s GLU 93 CO -0.07 -0.57 -0.19 -1.83 0.02 0.00 0.00 175.26 172.63 2bun s GLU 94 N 1.20 1.65 -0.03 1.61 -1.05 -0.71 -4.99 118.70 116.36 2bun s GLU 94 Ca -0.08 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.78 2bun s GLU 94 Cb -0.19 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.94 2bun s GLU 94 CO -0.06 0.35 1.11 0.45 0.95 0.00 0.00 175.26 178.07 2bun s SER 95 N -0.28 7.16 0.41 0.83 0.15 -1.26 0.29 113.70 121.00 2bun s SER 95 Ca 0.03 1.76 0.06 0.00 0.70 0.00 0.00 55.95 58.50 2bun s SER 95 Cb -0.09 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.59 2bun s SER 95 CO 0.00 -0.47 0.02 0.27 1.20 0.00 0.00 173.24 174.27 2bun s ILE 96 N 1.70 1.70 -0.61 6.45 -4.36 0.99 -4.87 121.20 122.21 2bun s ILE 96 Ca 0.54 -2.00 0.23 0.00 -0.26 0.00 0.00 60.65 59.16 2bun s ILE 96 Cb -0.23 -2.83 -0.12 0.00 1.25 0.00 0.00 42.46 40.52 2bun s ILE 96 CO 0.24 0.00 1.01 0.00 0.24 0.00 0.00 174.94 176.42 2bun n ALA 97 N -0.96 3.43 -1.73 2.27 0.00 -1.26 -3.50 120.51 118.75 2bun n ALA 97 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2bun n ALA 97 Cb 0.67 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.96 -2.25 0.00 0.00 0.00 -1.26 -3.75 118.16 108.93 2bun n LYS 98 Ca 0.02 1.60 0.00 0.00 0.00 0.00 0.00 58.31 59.92 2bun n LYS 98 Cb 0.44 -2.04 0.00 0.00 0.00 0.00 0.00 35.03 33.43 2bun n LYS 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2bun n ARG 99 N 1.39 0.00 -0.07 1.64 3.00 -1.26 -4.92 116.66 116.44 2bun n ARG 99 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 2bun n ARG 99 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bun h ARG 100 N 0.00 0.00 0.00 -0.14 3.08 -1.98 -3.41 114.38 111.93 2bun h ARG 100 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2bun h ARG 100 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2bun h ARG 100 CO 0.00 0.82 -1.09 1.19 -1.07 0.00 0.00 179.97 179.82 2bun n PHE 101 N -4.61 0.00 -0.07 3.04 3.01 -1.26 -5.01 117.46 112.56 2bun n PHE 101 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2bun n PHE 101 Cb 0.42 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 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 -1.69 0.00 -3.07 4.37 0.00 -1.26 -4.86 120.51 113.99 2bun n ALA 102 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2bun n ALA 102 Cb 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.22 -0.09 0.00 0.00 -1.26 -4.85 107.32 98.90 2bun s GLY 103 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 44.72 44.71 2bun s GLY 103 CO 0.00 -0.10 0.38 0.86 0.00 0.00 0.00 173.10 174.23 2bun s TRP 104 N -2.74 3.58 -0.07 1.90 -0.00 -1.23 -0.53 118.94 119.85 2bun s TRP 104 Ca -0.04 0.82 -0.03 0.00 -0.00 0.00 0.00 56.10 56.85 2bun s TRP 104 Cb -0.00 -2.36 0.04 0.00 -0.00 0.00 0.00 33.47 31.16 2bun s TRP 104 CO -0.04 0.40 0.14 -1.01 -0.00 0.00 0.00 176.95 176.43 2bun s HIS 105 N -0.14 -0.13 -0.11 5.86 3.76 -0.09 -4.75 115.29 119.68 2bun s HIS 105 Ca 0.22 0.53 -0.20 0.00 -0.15 0.00 0.00 55.06 55.46 2bun s HIS 105 Cb -0.15 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 2bun s HIS 105 CO 0.09 -0.25 0.56 1.41 -0.85 0.00 0.00 174.74 175.70 2bun s MET 106 N 2.23 4.35 0.01 1.40 1.75 -1.26 -0.92 119.30 126.87 2bun s MET 106 Ca 0.03 0.60 -0.12 0.00 -1.25 0.00 0.00 55.69 54.95 2bun s MET 106 Cb -0.12 -3.46 -0.06 0.00 2.84 0.00 0.00 34.83 34.03 2bun s MET 106 CO -0.05 0.08 1.00 0.37 -0.65 0.00 0.00 175.02 175.76 2bun h GLN 107 N 6.84 -0.41 -5.65 4.11 -0.00 -1.86 -3.32 115.11 114.83 2bun h GLN 107 Ca -0.40 0.03 -0.66 0.00 -0.00 0.00 0.00 58.65 57.62 2bun h GLN 107 Cb 1.18 0.09 -0.12 0.00 0.00 0.00 0.00 27.48 28.64 2bun h GLN 107 CO 0.76 -0.27 1.64 -0.51 0.00 0.00 0.00 178.83 180.44 2bun s LEU 108 N -6.15 4.09 0.34 -2.39 1.02 -1.26 -4.76 118.68 109.57 2bun s LEU 108 Ca -0.06 -2.14 0.18 0.00 0.02 0.00 0.00 54.13 52.13 2bun s LEU 108 Cb 0.01 -2.52 0.42 0.00 0.02 0.00 0.00 46.19 44.12 2bun s LEU 108 CO 0.19 -1.20 1.61 0.28 0.02 0.00 0.00 176.35 177.24 2bun h SER 109 N 8.43 0.00 -0.36 2.29 0.02 -1.99 -3.28 113.55 118.66 2bun h SER 109 Ca 0.30 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.02 2bun h SER 109 Cb 0.94 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.12 2bun h SER 109 CO 1.36 0.40 -1.00 0.00 -1.14 0.00 0.00 176.83 176.46 2bun n SER 111 N -0.72 -3.12 -0.07 0.00 2.88 -1.24 -4.51 113.62 106.85 2bun n SER 111 Ca 0.03 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 2bun n SER 111 Cb 0.82 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.20 2bun n SER 111 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2bun h GLU 112 N 0.00 0.00 -2.76 -1.46 -0.00 -1.96 -3.43 114.58 104.97 2bun h GLU 112 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 2bun h GLU 112 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.70 2bun h GLU 112 CO 0.00 0.63 -0.33 0.00 -0.00 0.00 0.00 179.01 179.30 2bun n ALA 113 N -2.89 -0.54 -0.01 1.06 0.00 -1.26 -4.75 120.51 112.11 2bun n ALA 113 Ca -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2bun n ALA 113 Cb 0.36 -1.61 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.40 0.31 -0.09 0.00 2.03 -1.26 -4.86 116.55 111.28 2bun n ASP 114 Ca -0.16 0.05 -0.12 0.00 0.52 0.00 0.00 54.79 55.07 2bun n ASP 114 Cb 0.57 -0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.77 2bun n ASP 114 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2bun n MET 115 N -3.18 0.48 0.00 -0.67 0.00 -1.26 -4.98 117.12 107.51 2bun n MET 115 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.75 2bun n MET 115 Cb 0.49 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.34 2bun n MET 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2bun n ARG 116 N -3.02 0.00 0.00 3.17 3.00 -1.26 -4.72 116.66 113.83 2bun n ARG 116 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.52 2bun n ARG 116 Cb 0.84 -0.46 0.00 0.00 0.00 0.00 0.00 32.46 32.85 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 0.56 0.00 -0.03 0.55 7.64 -1.24 -0.23 113.62 120.87 2bun n SER 117 Ca 0.00 0.23 0.14 0.00 1.01 0.00 0.00 58.87 60.25 2bun n SER 117 Cb 0.00 -0.23 0.61 0.00 -1.01 0.00 0.00 64.21 63.58 2bun n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bun n LEU 118 N -1.18 0.19 0.00 -3.43 -0.00 -1.26 -4.74 117.00 106.58 2bun n LEU 118 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 2bun n LEU 118 Cb 0.11 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2bun n LEU 118 CO 0.00 0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.04 2bun n GLY 119 N 1.38 0.44 0.13 1.47 0.00 -0.55 -5.00 105.19 103.06 2bun n GLY 119 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2bun n GLY 119 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bun h LEU 120 N 0.00 -0.17 -7.63 0.99 4.07 -0.91 -3.38 115.31 108.28 2bun h LEU 120 Ca 0.00 -0.38 -0.76 0.00 0.08 0.00 0.00 57.88 56.82 2bun h LEU 120 Cb 0.00 0.04 -0.30 0.00 1.08 0.00 0.00 40.66 41.48 2bun h LEU 120 CO 0.00 0.38 0.02 0.00 -1.08 0.00 0.00 178.44 177.76 2bun s ALA 121 N -3.82 4.11 0.15 1.53 0.00 0.62 -4.93 121.76 119.43 2bun s ALA 121 Ca -0.13 -3.49 0.05 0.00 0.00 0.00 0.00 51.96 48.38 2bun s ALA 121 Cb 0.01 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2bun s ALA 121 CO 0.52 -2.21 -0.10 -2.00 0.00 0.00 0.00 175.76 171.97 2bun s GLU 122 N -0.41 1.06 -0.62 0.00 -6.30 -1.26 -3.70 118.70 107.48 2bun s GLU 122 Ca 0.22 -1.45 -0.27 0.00 -2.50 0.00 0.00 54.97 50.97 2bun s GLU 122 Cb -0.12 -0.65 0.01 0.00 0.00 0.00 0.00 34.13 33.38 2bun s GLU 122 CO -0.08 0.08 1.42 -1.12 0.02 0.00 0.00 175.26 175.59 2bun s SER 123 N -3.14 6.04 -0.04 -1.70 0.01 -1.26 -4.75 113.70 108.86 2bun s SER 123 Ca 0.16 0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.58 2bun s SER 123 Cb 0.02 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.80 2bun s SER 123 CO 0.01 -1.82 0.96 -2.11 0.41 0.00 0.00 173.24 170.70 2bun n ARG 124 N 8.91 0.99 0.00 12.44 0.00 -1.26 -5.27 116.66 132.48 2bun n ARG 124 Ca 0.11 -1.54 0.11 0.00 -0.00 0.00 0.00 57.85 56.53 2bun n ARG 124 Cb 0.49 -0.93 0.09 0.00 -0.00 0.00 0.00 32.46 32.12 2bun n ARG 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63