#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 2.92 0.16 1.96 2.56 -1.26 -5.05 118.70 119.99 2bun s GLU 6 Ca 0.00 -1.17 -0.34 0.00 0.00 0.00 0.00 54.97 53.47 2bun s GLU 6 Cb 0.00 -2.67 -0.16 0.00 2.00 0.00 0.00 34.13 33.30 2bun s GLU 6 CO 0.00 0.01 1.25 0.00 -0.56 0.00 0.00 175.26 175.96 2bun n ALA 7 N -1.58 -0.53 -2.15 6.30 0.00 -1.26 -4.99 120.51 116.31 2bun n ALA 7 Ca 0.01 0.47 -0.22 0.00 0.00 0.00 0.00 53.44 53.69 2bun n ALA 7 Cb 0.59 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 17.98 2bun n ALA 7 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bun s ASP 8 N 0.19 5.56 0.55 0.00 -1.08 -1.26 -4.98 116.67 115.65 2bun s ASP 8 Ca 0.76 0.19 0.24 0.00 -0.52 0.00 0.00 52.55 53.22 2bun s ASP 8 Cb -0.85 -1.26 1.54 0.00 -1.46 0.00 0.00 42.92 40.89 2bun s ASP 8 CO 0.50 -0.93 2.18 -0.37 0.52 0.00 0.00 175.17 177.07 2bun h VAL 9 N 0.20 0.74 -1.12 1.11 -1.51 -1.99 -3.48 116.25 110.21 2bun h VAL 9 Ca -0.44 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2bun h VAL 9 Cb 1.27 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2bun h VAL 9 CO 0.55 0.02 0.00 0.35 -1.23 0.00 0.00 177.57 177.27 2bun n THR 10 N -4.10 0.00 -2.02 7.19 -2.24 -1.26 -4.58 114.28 107.27 2bun n THR 10 Ca -0.03 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.47 2bun n THR 10 Cb 0.11 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.42 2bun n THR 10 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2bun s MET 11 N 0.00 2.14 0.00 -0.78 -1.94 -1.26 -4.23 119.30 113.23 2bun s MET 11 Ca 0.00 -0.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.98 2bun s MET 11 Cb 0.00 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.79 2bun s MET 11 CO 0.00 -1.40 0.00 0.25 -0.01 0.00 0.00 175.02 173.86 2bun n THR 12 N -3.13 0.00 0.00 2.05 -2.24 -1.26 -4.75 114.28 104.95 2bun n THR 12 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2bun n THR 12 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.68 0.94 0.05 3.38 0.00 -1.26 -3.52 105.19 103.10 2bun n GLY 13 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 7.08 0.00 -2.57 1.61 2.88 -1.26 -4.99 113.62 116.37 2bun n SER 14 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2bun n SER 14 Cb 0.00 0.01 0.01 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 -0.78 5.45 -4.39 -3.46 5.75 -1.26 -4.90 116.55 112.95 2bun n ASP 15 Ca 0.00 -3.75 -0.30 0.00 -0.01 0.00 0.00 54.79 50.73 2bun n ASP 15 Cb 0.00 -0.61 -0.13 0.00 -1.03 0.00 0.00 41.12 39.35 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 -3.68 2.33 -0.01 -2.12 2.01 -1.24 -3.82 118.68 112.15 2bun s LEU 16 Ca 0.49 -0.66 -0.15 0.00 0.01 0.00 0.00 54.13 53.83 2bun s LEU 16 Cb 0.41 -1.30 0.02 0.00 0.01 0.00 0.00 46.19 45.34 2bun s LEU 16 CO -0.23 0.21 0.31 -0.69 1.01 0.00 0.00 176.35 176.95 2bun s VAL 17 N -0.98 0.06 -0.06 -1.59 1.01 0.14 -0.07 120.40 118.90 2bun s VAL 17 Ca 0.14 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2bun s VAL 17 Cb -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2bun s VAL 17 CO 0.05 -0.26 -0.16 -0.94 0.00 0.00 0.00 175.10 173.79 2bun s SER 18 N -1.32 2.09 -0.28 3.32 1.04 0.93 -0.59 113.70 118.89 2bun s SER 18 Ca -0.14 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 2bun s SER 18 Cb -0.05 -0.81 -0.05 0.00 0.10 0.00 0.00 66.02 65.21 2bun s SER 18 CO 0.04 0.10 0.20 0.00 0.98 0.00 0.00 173.24 174.56 2bun s TYR 21 N 1.48 1.63 0.29 0.00 -0.85 0.40 -3.59 117.35 116.71 2bun s TYR 21 Ca 0.00 -0.66 0.09 0.00 -0.52 0.00 0.00 57.07 55.98 2bun s TYR 21 Cb -0.19 -0.81 -0.06 0.00 0.38 0.00 0.00 41.96 41.28 2bun s TYR 21 CO 0.05 0.25 -0.13 -0.98 -1.52 0.00 0.00 175.55 173.22 2bun s ARG 22 N -3.70 1.64 0.11 -3.49 1.70 0.51 -0.85 118.95 114.87 2bun s ARG 22 Ca 0.23 -1.80 -0.13 0.00 -0.47 0.00 0.00 55.73 53.56 2bun s ARG 22 Cb 0.01 -1.50 0.02 0.00 -0.57 0.00 0.00 34.95 32.91 2bun s ARG 22 CO 0.06 0.18 0.32 -1.12 -1.08 0.00 0.00 175.30 173.66 2bun s SER 23 N -3.49 -0.09 -0.80 -2.89 0.01 -0.07 -0.45 113.70 105.91 2bun s SER 23 Ca 0.29 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2bun s SER 23 Cb 0.00 0.42 0.27 0.00 0.21 0.00 0.00 66.02 66.92 2bun s SER 23 CO 0.13 -0.80 1.02 0.18 0.41 0.00 0.00 173.24 174.18 2bun n LEU 24 N -0.15 4.75 -0.92 2.44 7.99 -1.26 0.36 117.00 130.21 2bun n LEU 24 Ca -0.16 -5.37 -0.13 0.00 -0.01 0.00 0.00 56.01 50.35 2bun n LEU 24 Cb 0.63 -0.88 -0.02 0.00 -0.11 0.00 0.00 43.42 43.04 2bun n LEU 24 CO 0.19 1.94 0.17 0.00 -1.51 0.00 0.00 177.39 178.18 2bun n ALA 25 N 0.99 -0.69 -1.68 -1.18 0.00 -0.41 -3.95 120.51 113.58 2bun n ALA 25 Ca 0.29 0.11 -0.45 0.00 0.00 0.00 0.00 53.44 53.39 2bun n ALA 25 Cb 0.38 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 2bun n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bun n ALA 26 N 0.55 1.62 0.26 0.00 0.00 0.49 -4.70 120.51 118.72 2bun n ALA 26 Ca 0.05 0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.94 2bun n ALA 26 Cb 0.00 -2.37 0.13 0.00 0.00 0.00 0.00 19.45 17.21 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 3.21 0.10 -0.46 0.00 -0.04 -1.26 -1.60 135.00 134.96 2bun n PRO 27 Ca 0.16 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 2bun n PRO 27 Cb 0.30 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.17 3.94 -4.77 3.54 5.75 -1.26 -5.00 116.55 117.58 2bun n ASP 28 Ca 0.03 -2.95 -0.38 0.00 -0.01 0.00 0.00 54.79 51.47 2bun n ASP 28 Cb 0.03 -0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 39.54 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 -2.72 4.36 -0.05 -2.12 1.43 -0.63 -5.04 118.68 113.91 2bun s LEU 29 Ca 0.42 2.11 -0.03 0.00 -1.03 0.00 0.00 54.13 55.60 2bun s LEU 29 Cb 0.33 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2bun s LEU 29 CO 0.10 -0.27 0.10 0.42 0.23 0.00 0.00 176.35 176.93 2bun s THR 30 N -1.42 5.00 0.24 5.49 -4.23 -1.26 -5.01 115.64 114.45 2bun s THR 30 Ca 0.51 -0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.81 2bun s THR 30 Cb -0.26 -3.23 0.21 0.00 1.34 0.00 0.00 72.50 70.56 2bun s THR 30 CO 0.33 0.47 1.83 0.25 -0.54 0.00 0.00 174.62 176.96 2bun h LEU 31 N 4.50 0.75 -1.77 4.79 5.85 -2.00 -0.64 115.31 126.79 2bun h LEU 31 Ca -0.51 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.31 2bun h LEU 31 Cb 1.20 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2bun h LEU 31 CO 0.61 0.46 0.29 -0.09 -0.34 0.00 0.00 178.44 179.37 2bun h ARG 32 N 0.88 0.27 -0.68 1.25 9.65 -1.97 0.20 114.38 123.97 2bun h ARG 32 Ca 0.39 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.21 2bun h ARG 32 Cb 0.28 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 2bun h ARG 32 CO -0.21 0.18 0.25 -0.44 2.80 0.00 0.00 179.97 182.54 2bun h ASP 33 N 0.27 0.94 0.17 -3.80 5.19 -1.52 0.36 116.42 118.04 2bun h ASP 33 Ca 0.19 -0.15 -0.20 0.00 -0.62 0.00 0.00 57.03 56.26 2bun h ASP 33 Cb 0.42 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 2bun h ASP 33 CO -0.04 0.86 -0.77 -0.07 -3.12 0.00 0.00 179.24 176.10 2bun h LEU 34 N 1.00 0.60 -1.38 1.55 -0.00 -0.55 0.13 115.31 116.65 2bun h LEU 34 Ca 0.23 -0.40 -0.03 0.00 -0.00 0.00 0.00 57.88 57.67 2bun h LEU 34 Cb 0.23 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2bun h LEU 34 CO -0.02 1.16 -0.15 -0.07 -0.00 0.00 0.00 178.44 179.37 2bun h LEU 35 N 0.33 0.00 0.00 1.67 -0.00 -0.58 -0.02 115.31 116.71 2bun h LEU 35 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2bun h LEU 35 Cb 1.37 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.03 2bun h LEU 35 CO 0.14 0.15 -0.01 0.44 -0.00 0.00 0.00 178.44 179.15 2bun h ASP 36 N 0.00 0.00 -0.57 -0.43 3.32 0.01 -3.32 116.42 115.44 2bun h ASP 36 Ca -0.00 -0.85 0.10 0.00 0.02 0.00 0.00 57.03 56.30 2bun h ASP 36 Cb 0.60 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.04 2bun h ASP 36 CO 0.02 0.93 -0.34 0.40 -1.72 0.00 0.00 179.24 178.53 2bun h ILE 37 N -1.00 0.17 -0.56 0.35 2.04 -0.53 0.19 117.51 118.17 2bun h ILE 37 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2bun h ILE 37 Cb 0.85 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2bun h ILE 37 CO -0.00 0.00 0.17 1.62 0.00 0.00 0.00 178.15 179.94 2bun h VAL 38 N -0.18 0.75 -0.16 1.67 3.04 -1.19 -0.24 116.25 119.94 2bun h VAL 38 Ca 0.22 -0.11 -0.09 0.00 -1.01 0.00 0.00 66.70 65.70 2bun h VAL 38 Cb 0.55 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2bun h VAL 38 CO -0.66 0.06 -0.25 -0.33 -1.01 0.00 0.00 177.57 175.37 2bun h GLU 39 N 0.33 0.46 -0.87 4.17 4.39 -1.30 -2.71 114.58 119.05 2bun h GLU 39 Ca 0.28 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2bun h GLU 39 Cb 0.36 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2bun h GLU 39 CO -0.31 0.87 0.55 1.15 -1.16 0.00 0.00 179.01 180.11 2bun h THR 40 N 0.09 1.23 0.41 1.13 2.02 -0.42 -2.60 112.91 114.77 2bun h THR 40 Ca 0.01 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2bun h THR 40 Cb 0.83 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2bun h THR 40 CO 0.06 0.24 -0.20 0.28 0.37 0.00 0.00 175.52 176.27 2bun h SER 41 N 1.20 -0.46 -0.31 4.18 0.02 -0.93 -2.61 113.55 114.63 2bun h SER 41 Ca 0.32 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2bun h SER 41 Cb -0.09 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 2bun h SER 41 CO -0.06 -0.22 -0.06 1.56 -1.14 0.00 0.00 176.83 176.91 2bun h GLN 42 N -0.69 0.02 -0.89 3.45 4.20 -1.40 0.29 115.11 120.10 2bun h GLN 42 Ca -0.06 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.70 2bun h GLN 42 Cb 0.50 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2bun h GLN 42 CO 0.09 0.01 0.56 0.00 -0.67 0.00 0.00 178.83 178.83 2bun h ALA 43 N 1.30 1.20 0.14 3.87 0.00 -1.44 0.41 119.26 124.74 2bun h ALA 43 Ca 0.15 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 2bun h ALA 43 Cb 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2bun h ALA 43 CO -0.30 0.35 -1.22 1.25 0.00 0.00 0.00 179.25 179.33 2bun h HIS 44 N 1.05 0.55 -0.30 0.00 -0.00 -1.06 -3.20 115.15 112.19 2bun h HIS 44 Ca 0.37 -0.40 -0.16 0.00 -0.00 0.00 0.00 60.37 60.19 2bun h HIS 44 Cb 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2bun h HIS 44 CO -0.02 1.47 -0.44 -0.91 -0.00 0.00 0.00 177.93 178.03 2bun h ASN 45 N -0.27 0.83 -0.05 3.26 2.35 -0.12 0.60 115.58 122.19 2bun h ASN 45 Ca -0.24 -0.40 -0.10 0.00 -0.55 0.00 0.00 56.30 55.01 2bun h ASN 45 Cb 1.78 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.90 2bun h ASN 45 CO 0.12 1.15 -0.25 0.00 -1.65 0.00 0.00 177.43 176.80 2bun h ALA 46 N 0.88 1.10 -0.00 -0.83 0.00 -0.36 0.58 119.26 120.64 2bun h ALA 46 Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bun h ALA 46 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2bun h ALA 46 CO 0.10 0.56 -0.00 -0.09 0.00 0.00 0.00 179.25 179.81 2bun h ARG 47 N 0.42 0.00 -0.00 0.00 1.12 -1.42 -3.21 114.38 111.29 2bun h ARG 47 Ca 0.06 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 2bun h ARG 47 Cb 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 2bun h ARG 47 CO 0.05 0.72 -0.00 0.00 -3.11 0.00 0.00 179.97 177.63 2bun n ALA 48 N -2.47 2.64 -2.93 2.80 0.00 0.21 -4.88 120.51 115.89 2bun n ALA 48 Ca -0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 2bun n ALA 48 Cb 0.35 -1.50 0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.04 -3.18 -3.65 0.00 6.02 0.31 -4.72 117.38 111.11 2bun n GLN 49 Ca 0.21 0.33 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 2bun n GLN 49 Cb 0.15 -3.86 -0.09 0.00 1.02 0.00 0.00 30.24 27.46 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 -3.54 4.12 0.08 1.08 1.02 0.18 -4.63 118.68 116.99 2bun s LEU 50 Ca 0.23 0.14 0.05 0.00 0.02 0.00 0.00 54.13 54.56 2bun s LEU 50 Cb -0.10 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 2bun s LEU 50 CO 0.29 0.06 -0.02 0.42 0.02 0.00 0.00 176.35 177.13 2bun s THR 51 N 1.04 3.93 0.21 5.49 -4.23 0.20 -4.26 115.64 118.02 2bun s THR 51 Ca 0.08 -0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 59.41 2bun s THR 51 Cb -0.13 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 70.93 2bun s THR 51 CO 0.04 0.16 1.00 -0.83 -0.54 0.00 0.00 174.62 174.46 2bun s GLY 52 N -2.16 0.14 -0.19 3.99 0.00 -0.91 0.64 107.32 108.83 2bun s GLY 52 Ca 0.24 -0.38 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 2bun s GLY 52 CO 0.16 1.96 0.62 0.00 0.00 0.00 0.00 173.10 175.84 2bun s ALA 53 N -2.23 -1.56 -0.16 3.20 0.00 -1.21 0.10 121.76 119.91 2bun s ALA 53 Ca 0.21 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.78 2bun s ALA 53 Cb -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2bun s ALA 53 CO 0.06 -0.31 -0.20 -1.17 0.00 0.00 0.00 175.76 174.14 2bun s LEU 54 N -0.07 2.08 -0.34 0.00 1.98 0.97 -3.29 118.68 120.01 2bun s LEU 54 Ca -0.03 -0.61 -0.04 0.00 -2.89 0.00 0.00 54.13 50.56 2bun s LEU 54 Cb -0.04 -1.43 0.06 0.00 0.66 0.00 0.00 46.19 45.44 2bun s LEU 54 CO 0.03 0.03 0.08 -0.36 -1.89 0.00 0.00 176.35 174.25 2bun s PHE 55 N 1.07 3.33 -0.16 5.38 0.40 0.11 -0.32 117.98 127.79 2bun s PHE 55 Ca -0.01 -1.83 0.01 0.00 -0.60 0.00 0.00 56.93 54.50 2bun s PHE 55 Cb -0.14 -2.42 0.03 0.00 0.51 0.00 0.00 43.02 41.00 2bun s PHE 55 CO -0.07 -0.82 -0.14 -0.47 0.70 0.00 0.00 175.22 174.42 2bun s TYR 56 N 1.28 2.30 -0.26 0.36 6.14 -1.26 0.04 117.35 125.95 2bun s TYR 56 Ca -0.01 -1.36 -0.02 0.00 0.64 0.00 0.00 57.07 56.32 2bun s TYR 56 Cb -0.20 -1.64 0.14 0.00 0.42 0.00 0.00 41.96 40.68 2bun s TYR 56 CO -0.00 -0.70 0.41 0.45 0.64 0.00 0.00 175.55 176.34 2bun s SER 57 N 1.44 0.05 -0.48 4.32 0.15 -1.01 -4.47 113.70 113.70 2bun s SER 57 Ca 0.03 0.21 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 2bun s SER 57 Cb -0.14 1.25 0.01 0.00 -1.71 0.00 0.00 66.02 65.43 2bun s SER 57 CO -0.10 -0.30 0.56 1.67 1.20 0.00 0.00 173.24 176.26 2bun n GLN 58 N 5.37 -1.71 0.00 5.44 -0.06 -1.26 -3.82 117.38 121.34 2bun n GLN 58 Ca -0.03 1.70 0.00 0.00 -2.00 0.00 0.00 57.00 56.68 2bun n GLN 58 Cb 0.50 -5.18 0.00 0.00 -4.06 0.00 0.00 30.24 21.50 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bun n GLY 59 N -0.86 1.07 3.70 1.69 0.00 -1.26 -4.93 105.19 104.59 2bun n GLY 59 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 4.90 -0.06 1.61 -7.23 -1.25 -1.29 120.40 117.08 2bun s VAL 60 Ca 0.00 1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 61.88 2bun s VAL 60 Cb 0.00 -4.21 -0.05 0.00 0.56 0.00 0.00 36.38 32.68 2bun s VAL 60 CO 0.00 0.12 0.29 -0.36 -0.31 0.00 0.00 175.10 174.84 2bun s PHE 61 N 1.41 3.66 -0.06 2.82 0.08 0.16 -2.40 117.98 123.65 2bun s PHE 61 Ca 0.45 0.78 -0.02 0.00 0.12 0.00 0.00 56.93 58.26 2bun s PHE 61 Cb -0.19 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2bun s PHE 61 CO 0.20 0.65 0.05 0.12 -0.10 0.00 0.00 175.22 176.14 2bun s PHE 62 N -0.94 0.20 -0.02 0.36 5.36 0.11 -0.90 117.98 122.15 2bun s PHE 62 Ca 0.20 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2bun s PHE 62 Cb -0.15 -0.56 0.03 0.00 -0.34 0.00 0.00 43.02 42.00 2bun s PHE 62 CO 0.09 -0.24 0.02 -1.14 -1.46 0.00 0.00 175.22 172.48 2bun s GLN 63 N 2.13 0.12 0.05 10.12 2.00 -0.03 0.08 119.66 134.12 2bun s GLN 63 Ca 0.05 0.13 -0.01 0.00 -2.00 0.00 0.00 55.36 53.53 2bun s GLN 63 Cb -0.12 -0.35 -0.04 0.00 0.80 0.00 0.00 33.01 33.30 2bun s GLN 63 CO -0.04 -0.15 -0.03 1.67 -0.50 0.00 0.00 175.29 176.24 2bun s TRP 64 N 1.04 0.49 -0.10 1.67 -2.14 -1.21 -0.45 118.94 118.23 2bun s TRP 64 Ca -0.09 -1.01 -0.11 0.00 2.66 0.00 0.00 56.10 57.55 2bun s TRP 64 Cb -0.13 -0.37 0.03 0.00 -3.10 0.00 0.00 33.47 29.90 2bun s TRP 64 CO -0.02 -0.36 0.30 -0.48 -2.66 0.00 0.00 176.95 173.72 2bun s LEU 65 N -2.77 0.88 -0.21 -4.66 0.05 -0.97 -3.28 118.68 107.72 2bun s LEU 65 Ca 0.05 0.53 -0.15 0.00 0.05 0.00 0.00 54.13 54.61 2bun s LEU 65 Cb 0.06 1.04 -0.04 0.00 -2.05 0.00 0.00 46.19 45.20 2bun s LEU 65 CO -0.09 -0.14 0.35 -1.61 -0.55 0.00 0.00 176.35 174.31 2bun s GLU 66 N -0.02 4.15 0.19 1.48 2.02 0.21 -2.34 118.70 124.38 2bun s GLU 66 Ca -0.02 0.10 -0.23 0.00 0.02 0.00 0.00 54.97 54.85 2bun s GLU 66 Cb -0.03 -3.54 0.07 0.00 0.10 0.00 0.00 34.13 30.74 2bun s GLU 66 CO 0.01 -0.02 0.99 0.20 0.02 0.00 0.00 175.26 176.46 2bun s GLY 67 N 1.05 0.00 0.15 -1.39 0.00 0.24 -0.63 107.32 106.75 2bun s GLY 67 Ca 0.17 -0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.39 2bun s GLY 67 CO 0.07 1.28 1.35 -1.58 0.00 0.00 0.00 173.10 174.22 2bun s HIS 68 N -2.59 3.26 0.23 1.90 2.46 -1.25 0.23 115.29 119.53 2bun s HIS 68 Ca 0.18 1.07 0.03 0.00 0.47 0.00 0.00 55.06 56.81 2bun s HIS 68 Cb -0.02 -3.64 0.60 0.00 -0.13 0.00 0.00 32.58 29.39 2bun s HIS 68 CO 0.05 -2.14 1.17 -2.30 -2.47 0.00 0.00 174.74 169.05 2bun n PRO 69 N 3.42 -0.06 0.20 2.88 -0.01 -1.25 0.12 135.00 140.30 2bun n PRO 69 Ca 0.09 1.11 0.09 0.00 -0.01 0.00 0.00 63.50 64.78 2bun n PRO 69 Cb 0.43 -1.78 0.14 0.00 -0.01 0.00 0.00 33.50 32.28 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 1.49 0.90 -0.20 3.55 0.00 -1.93 0.14 119.26 123.21 2bun h ALA 70 Ca 0.47 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 2bun h ALA 70 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2bun h ALA 70 CO -0.69 0.19 -0.64 0.00 0.00 0.00 0.00 179.25 178.11 2bun h ALA 71 N 1.85 0.50 -0.18 0.00 0.00 -0.69 0.27 119.26 121.01 2bun h ALA 71 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2bun h ALA 71 Cb 1.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2bun h ALA 71 CO 0.02 0.70 0.05 0.28 0.00 0.00 0.00 179.25 180.29 2bun h VAL 72 N 0.52 1.20 -0.21 0.00 2.07 -1.00 0.46 116.25 119.29 2bun h VAL 72 Ca -0.01 -0.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 2bun h VAL 72 Cb 1.23 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2bun h VAL 72 CO 0.13 0.19 -0.46 0.00 0.02 0.00 0.00 177.57 177.45 2bun h ALA 73 N 0.86 0.81 -0.42 1.67 0.00 -0.61 0.40 119.26 121.97 2bun h ALA 73 Ca 0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2bun h ALA 73 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2bun h ALA 73 CO -0.00 0.66 0.13 1.49 0.00 0.00 0.00 179.25 181.53 2bun h GLU 74 N 0.42 0.61 -0.09 0.00 4.81 -0.31 0.50 114.58 120.52 2bun h GLU 74 Ca 0.03 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 2bun h GLU 74 Cb 0.97 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.26 2bun h GLU 74 CO 0.09 0.54 -0.57 -0.24 -0.73 0.00 0.00 179.01 178.10 2bun h VAL 75 N 0.60 1.36 -0.22 0.32 3.04 -0.39 -2.99 116.25 117.97 2bun h VAL 75 Ca 0.14 -1.90 0.06 0.00 -1.01 0.00 0.00 66.70 63.99 2bun h VAL 75 Cb 0.18 2.25 -0.07 0.00 -2.01 0.00 0.00 31.29 31.65 2bun h VAL 75 CO -0.01 0.57 -0.22 0.24 -1.01 0.00 0.00 177.57 177.14 2bun h MET 76 N 0.13 -0.22 -0.95 4.17 2.86 0.92 0.28 114.93 122.12 2bun h MET 76 Ca -0.05 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2bun h MET 76 Cb 1.22 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.86 2bun h MET 76 CO 0.12 -0.15 0.60 0.66 1.06 0.00 0.00 176.91 179.19 2bun h SER 77 N -0.23 0.91 1.09 1.22 4.64 -0.13 0.70 113.55 121.74 2bun h SER 77 Ca 0.13 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 2bun h SER 77 Cb 0.43 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2bun h SER 77 CO -0.36 0.53 -0.91 0.45 -0.87 0.00 0.00 176.83 175.68 2bun h HIS 78 N 1.01 0.00 0.00 4.77 3.86 -1.21 -3.31 115.15 120.28 2bun h HIS 78 Ca 0.44 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.49 2bun h HIS 78 Cb 0.33 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 2bun h HIS 78 CO -0.02 0.91 -1.44 -0.89 0.86 0.00 0.00 177.93 177.35 2bun n ILE 79 N -3.32 1.15 0.20 2.45 5.41 0.91 -4.00 119.36 122.15 2bun n ILE 79 Ca 0.00 -0.69 0.07 0.00 1.00 0.00 0.00 62.75 63.14 2bun n ILE 79 Cb 0.90 -0.70 0.34 0.00 -0.71 0.00 0.00 39.64 39.47 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 0.00 0.00 -0.94 0.38 1.08 0.23 -2.71 115.11 113.15 2bun h GLN 80 Ca -0.17 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 2bun h GLN 80 Cb 1.57 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.95 2bun h GLN 80 CO 0.04 0.32 0.10 0.54 -0.95 0.00 0.00 178.83 178.88 2bun n ARG 81 N -3.41 1.71 0.00 1.46 1.74 -1.24 -4.83 116.66 112.08 2bun n ARG 81 Ca 0.00 -0.87 0.00 0.00 -0.77 0.00 0.00 57.85 56.21 2bun n ARG 81 Cb 0.51 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.00 0.00 0.55 2.03 -1.02 -5.04 116.55 113.17 2bun n ASP 82 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2bun n ASP 82 Cb 0.69 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2bun n ARG 83 N 0.00 0.00 -0.07 -0.67 1.85 -1.26 -4.97 116.66 111.54 2bun n ARG 83 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 2bun n ARG 83 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 2bun n ARG 83 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bun h ARG 84 N 0.00 0.54 -4.90 2.89 3.08 -1.97 -3.35 114.38 110.67 2bun h ARG 84 Ca 0.00 -0.31 -0.69 0.00 0.07 0.00 0.00 59.98 59.06 2bun h ARG 84 Cb 0.00 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 29.89 2bun h ARG 84 CO 0.00 0.90 0.13 -3.38 -1.07 0.00 0.00 179.97 176.55 2bun s HIS 85 N -4.23 2.99 0.13 3.04 -3.43 -1.26 -0.38 115.29 112.15 2bun s HIS 85 Ca -0.13 -0.71 0.03 0.00 -0.80 0.00 0.00 55.06 53.45 2bun s HIS 85 Cb 0.07 -3.82 0.19 0.00 -1.43 0.00 0.00 32.58 27.59 2bun s HIS 85 CO 0.80 -1.20 0.86 0.43 -2.00 0.00 0.00 174.74 173.63 2bun n SER 86 N 6.39 0.09 0.03 7.38 7.64 -1.25 -3.74 113.62 130.16 2bun n SER 86 Ca -0.07 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2bun n SER 86 Cb 0.44 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2bun n SER 86 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2bun n ASN 87 N -1.68 -0.21 -3.61 6.43 4.13 -1.26 -4.79 115.26 114.27 2bun n ASN 87 Ca -0.00 0.11 -0.18 0.00 1.68 0.00 0.00 54.58 56.19 2bun n ASN 87 Cb 0.56 0.32 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2bun n VAL 88 N -2.69 -5.13 -3.09 2.41 3.14 -1.22 -4.92 118.33 106.84 2bun n VAL 88 Ca 0.00 -0.08 -0.45 0.00 -2.96 0.00 0.00 64.34 60.85 2bun n VAL 88 Cb 0.00 -3.98 -0.02 0.00 -1.06 0.00 0.00 33.84 28.78 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 -4.47 3.67 0.00 1.45 2.02 0.40 -4.85 118.70 116.93 2bun s GLU 89 Ca 0.01 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 52.86 2bun s GLU 89 Cb -0.00 -4.75 0.00 0.00 0.10 0.00 0.00 34.13 29.48 2bun s GLU 89 CO 0.86 -1.58 0.83 -0.89 0.02 0.00 0.00 175.26 174.49 2bun n ILE 90 N 4.77 0.00 0.00 -1.63 2.08 -1.26 -0.37 119.36 122.96 2bun n ILE 90 Ca 0.22 1.33 0.00 0.00 0.56 0.00 0.00 62.75 64.85 2bun n ILE 90 Cb 0.47 -2.10 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 -1.85 0.00 -3.65 1.39 4.77 -1.26 -4.12 117.00 112.28 2bun n LEU 91 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2bun n LEU 91 Cb 0.00 -0.27 -0.17 0.00 -2.33 0.00 0.00 43.42 40.64 2bun n LEU 91 CO 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 175.72 2bun s ALA 92 N -0.87 0.44 -0.22 -1.18 0.00 -1.24 -5.07 121.76 113.63 2bun s ALA 92 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2bun s ALA 92 Cb 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.25 2bun s ALA 92 CO 0.00 -0.96 -0.06 -1.21 0.00 0.00 0.00 175.76 173.53 2bun s GLU 93 N 2.11 1.65 0.03 0.00 2.02 -1.26 0.17 118.70 123.41 2bun s GLU 93 Ca 0.03 -0.92 0.08 0.00 0.02 0.00 0.00 54.97 54.17 2bun s GLU 93 Cb -0.15 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 2bun s GLU 93 CO -0.07 -0.56 -0.23 -1.83 0.02 0.00 0.00 175.26 172.59 2bun s GLU 94 N 1.42 1.62 0.04 1.61 -1.05 -0.01 -4.94 118.70 117.40 2bun s GLU 94 Ca -0.05 -0.94 -0.31 0.00 -0.15 0.00 0.00 54.97 53.53 2bun s GLU 94 Cb -0.18 -1.70 -0.06 0.00 -0.44 0.00 0.00 34.13 31.74 2bun s GLU 94 CO -0.07 0.45 1.40 -1.12 0.95 0.00 0.00 175.26 176.87 2bun s SER 95 N -1.00 6.84 0.36 0.83 0.01 -1.26 -0.05 113.70 119.43 2bun s SER 95 Ca 0.09 2.20 0.09 0.00 1.31 0.00 0.00 55.95 59.64 2bun s SER 95 Cb -0.09 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 2bun s SER 95 CO 0.01 -0.70 -0.06 0.27 0.41 0.00 0.00 173.24 173.17 2bun s ILE 96 N 1.94 2.14 -1.29 1.44 -4.36 0.90 -4.86 121.20 117.10 2bun s ILE 96 Ca 0.64 -2.14 0.23 0.00 -0.26 0.00 0.00 60.65 59.12 2bun s ILE 96 Cb -0.34 -2.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.56 2bun s ILE 96 CO 0.28 -0.15 1.14 0.00 0.24 0.00 0.00 174.94 176.46 2bun n ALA 97 N -0.83 4.04 -0.93 2.27 0.00 -1.23 -3.68 120.51 120.14 2bun n ALA 97 Ca -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 52.88 2bun n ALA 97 Cb 0.64 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.11 -0.18 -1.87 0.00 0.00 -1.26 -4.64 118.16 109.11 2bun n LYS 98 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.49 2bun n LYS 98 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 35.17 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 -1.95 0.00 -0.03 1.64 3.00 -1.26 -5.03 116.66 113.03 2bun n ARG 99 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 2bun n ARG 99 Cb 0.04 -2.22 -0.01 0.00 0.00 0.00 0.00 32.46 30.27 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 -0.80 0.18 -0.01 -0.14 1.74 -1.26 -4.86 116.66 111.51 2bun n ARG 100 Ca 0.00 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.25 2bun n ARG 100 Cb 0.44 -0.79 -0.15 0.00 -1.02 0.00 0.00 32.46 30.95 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 -3.19 0.00 0.00 -1.55 3.01 -1.26 -4.97 117.46 109.50 2bun n PHE 101 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 2bun n PHE 101 Cb 0.17 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 2bun n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bun n ALA 102 N -2.04 0.00 -2.91 4.37 0.00 -1.26 -4.79 120.51 113.88 2bun n ALA 102 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2bun n ALA 102 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2bun n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bun s GLY 103 N -0.77 -0.20 0.05 0.00 0.00 -1.26 -4.83 107.32 100.31 2bun s GLY 103 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 44.72 44.29 2bun s GLY 103 CO 0.00 -0.40 0.88 0.86 0.00 0.00 0.00 173.10 174.45 2bun s TRP 104 N -3.75 3.73 -0.27 1.90 -0.00 -1.23 -2.14 118.94 117.18 2bun s TRP 104 Ca 0.03 1.63 0.02 0.00 -0.00 0.00 0.00 56.10 57.78 2bun s TRP 104 Cb 0.02 -2.98 0.07 0.00 -0.00 0.00 0.00 33.47 30.59 2bun s TRP 104 CO -0.11 0.17 -0.03 -1.01 -0.00 0.00 0.00 176.95 175.96 2bun s HIS 105 N 0.29 2.90 -0.17 5.86 3.76 0.11 -4.80 115.29 123.24 2bun s HIS 105 Ca 0.45 -2.20 -0.26 0.00 -0.15 0.00 0.00 55.06 52.89 2bun s HIS 105 Cb -0.21 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 2bun s HIS 105 CO 0.26 -0.85 0.86 1.41 -0.85 0.00 0.00 174.74 175.57 2bun s MET 106 N 1.22 4.30 0.08 1.40 1.75 -1.26 -0.02 119.30 126.77 2bun s MET 106 Ca -0.02 1.07 0.12 0.00 -1.25 0.00 0.00 55.69 55.62 2bun s MET 106 Cb -0.19 -3.58 -0.16 0.00 2.84 0.00 0.00 34.83 33.74 2bun s MET 106 CO -0.08 -0.35 1.02 1.96 -0.65 0.00 0.00 175.02 176.92 2bun h GLN 107 N 7.32 0.00 -4.80 4.11 1.08 -1.05 -3.35 115.11 118.42 2bun h GLN 107 Ca -0.29 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.19 2bun h GLN 107 Cb 1.13 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.42 2bun h GLN 107 CO 0.85 0.62 1.82 -0.11 -0.95 0.00 0.00 178.83 181.05 2bun n LEU 108 N -3.14 5.49 -3.64 1.46 7.94 -1.26 -4.77 117.00 119.08 2bun n LEU 108 Ca -0.07 -4.32 -0.06 0.00 -1.11 0.00 0.00 56.01 50.44 2bun n LEU 108 Cb 0.92 -1.64 -0.07 0.00 0.53 0.00 0.00 43.42 43.17 2bun n LEU 108 CO 0.45 0.70 0.41 -0.55 -1.11 0.00 0.00 177.39 177.29 2bun s SER 109 N 2.92 -0.86 -1.18 1.96 0.15 -1.26 -4.95 113.70 110.49 2bun s SER 109 Ca 0.46 1.39 -0.04 0.00 0.70 0.00 0.00 55.95 58.45 2bun s SER 109 Cb 0.02 1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 65.67 2bun s SER 109 CO 0.02 -0.22 0.88 0.00 1.20 0.00 0.00 173.24 175.11 2bun s SER 111 N -3.97 6.82 0.00 0.00 1.04 -1.26 -4.81 113.70 111.51 2bun s SER 111 Ca 0.19 -2.40 0.00 0.00 0.48 0.00 0.00 55.95 54.22 2bun s SER 111 Cb -0.04 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2bun s SER 111 CO 0.77 -1.19 0.00 -1.84 0.98 0.00 0.00 173.24 171.96 2bun n GLU 112 N 8.43 0.00 -1.49 4.02 -0.00 -1.26 -4.78 120.64 125.56 2bun n GLU 112 Ca 0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.52 2bun n GLU 112 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.86 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bun n ALA 113 N 3.80 -0.26 0.00 -1.84 0.00 -1.26 -4.57 120.51 116.37 2bun n ALA 113 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bun n ALA 113 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2bun n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bun n ASP 114 N -0.57 0.86 0.09 0.00 2.03 -1.26 -4.67 116.55 113.03 2bun n ASP 114 Ca -0.13 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.05 2bun n ASP 114 Cb 0.43 0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.28 -0.65 -0.67 4.05 -1.97 -3.47 114.93 112.50 2bun h MET 115 Ca 0.00 -0.40 -0.17 0.00 -0.28 0.00 0.00 59.70 58.85 2bun h MET 115 Cb 0.19 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.08 2bun h MET 115 CO 0.00 1.15 -0.17 0.54 0.23 0.00 0.00 176.91 178.66 2bun n ARG 116 N -3.58 -0.61 0.15 0.39 1.74 -1.26 -4.90 116.66 108.58 2bun n ARG 116 Ca -0.07 0.67 0.12 0.00 -0.77 0.00 0.00 57.85 57.80 2bun n ARG 116 Cb 0.95 -4.56 0.13 0.00 -1.02 0.00 0.00 32.46 27.95 2bun n ARG 116 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2bun h SER 117 N 0.00 0.00 0.00 0.55 0.02 -1.92 -0.55 113.55 111.65 2bun h SER 117 Ca -0.18 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2bun h SER 117 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2bun h SER 117 CO 0.25 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 176.13 2bun n LEU 118 N -2.75 0.00 0.00 5.07 4.77 -1.26 -4.70 117.00 118.13 2bun n LEU 118 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2bun n LEU 118 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2bun n LEU 118 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2bun n GLY 119 N -0.05 0.88 0.13 -0.72 0.00 -1.24 -4.98 105.19 99.22 2bun n GLY 119 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.18 -7.81 0.99 6.46 -1.83 -3.34 115.31 109.59 2bun h LEU 120 Ca 0.00 -0.34 -0.77 0.00 -0.12 0.00 0.00 57.88 56.65 2bun h LEU 120 Cb 0.00 0.05 -0.24 0.00 -0.73 0.00 0.00 40.66 39.74 2bun h LEU 120 CO 0.00 0.30 0.39 0.00 -0.62 0.00 0.00 178.44 178.50 2bun s ALA 121 N -4.21 4.03 0.13 1.25 0.00 -0.22 -4.90 121.76 117.85 2bun s ALA 121 Ca -0.14 -3.29 -0.01 0.00 0.00 0.00 0.00 51.96 48.52 2bun s ALA 121 Cb 0.01 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2bun s ALA 121 CO 0.56 -2.45 0.19 -1.91 0.00 0.00 0.00 175.76 172.15 2bun n GLU 122 N 4.43 0.28 -4.06 0.00 0.00 -1.26 -4.76 120.64 115.27 2bun n GLU 122 Ca 0.19 -1.04 -0.23 0.00 0.00 0.00 0.00 57.16 56.09 2bun n GLU 122 Cb 0.46 1.02 -0.06 0.00 0.00 0.00 0.00 31.44 32.86 2bun n GLU 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2bun s SER 123 N -1.81 4.85 -0.20 4.31 1.04 -1.26 -5.13 113.70 115.50 2bun s SER 123 Ca 0.11 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.76 2bun s SER 123 Cb -0.00 -0.84 0.06 0.00 0.10 0.00 0.00 66.02 65.34 2bun s SER 123 CO 0.08 -0.26 0.50 0.00 0.98 0.00 0.00 173.24 174.53 2bun s ARG 124 N -3.86 0.49 0.00 4.02 3.03 -1.26 -5.14 118.95 116.23 2bun s ARG 124 Ca 0.37 0.91 0.00 0.00 2.03 0.00 0.00 55.73 59.05 2bun s ARG 124 Cb -0.04 0.04 0.00 0.00 -1.03 0.00 0.00 34.95 33.92 2bun s ARG 124 CO 0.23 -0.15 0.51 0.94 -1.13 0.00 0.00 175.30 175.71