#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 2.44 0.29 3.23 2.56 -1.26 -4.94 118.70 121.02 2bun s GLU 6 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 54.97 56.22 2bun s GLU 6 Cb 0.00 -1.89 -0.11 0.00 2.00 0.00 0.00 34.13 34.13 2bun s GLU 6 CO 0.00 -1.56 1.53 0.00 -0.56 0.00 0.00 175.26 174.67 2bun s ALA 7 N -2.22 3.68 0.00 6.30 0.00 -1.26 -4.96 121.76 123.31 2bun s ALA 7 Ca 0.70 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.14 2bun s ALA 7 Cb -0.24 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2bun s ALA 7 CO 0.44 -0.90 0.23 -3.47 0.00 0.00 0.00 175.76 172.06 2bun n ASP 8 N 2.02 0.00 0.00 0.00 -0.08 -1.26 -4.78 116.55 112.45 2bun n ASP 8 Ca 0.07 0.44 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 2bun n ASP 8 Cb 0.39 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.55 2bun n ASP 8 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2bun n VAL 9 N -1.38 0.01 0.00 5.18 0.24 -1.26 -5.08 118.33 116.04 2bun n VAL 9 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2bun n VAL 9 Cb 0.00 1.77 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 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 -0.01 0.00 0.01 3.34 -2.24 -1.26 -3.36 114.28 110.77 2bun n THR 10 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2bun n THR 10 Cb 0.27 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2bun n THR 10 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2bun n MET 11 N 0.00 0.00 0.00 -0.78 2.81 -1.26 -5.04 117.12 112.85 2bun n MET 11 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2bun n MET 11 Cb 0.00 -0.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.43 2bun n MET 11 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2bun n THR 12 N -2.69 0.00 0.00 2.03 -2.24 -1.21 -4.71 114.28 105.45 2bun n THR 12 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2bun n THR 12 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 0.87 0.00 3.38 0.00 -1.26 -4.77 105.19 103.40 2bun n GLY 13 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.21 1.61 7.64 -0.77 -4.86 113.62 115.04 2bun n SER 14 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2bun n SER 14 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.00 6.95 -4.44 6.43 5.75 -1.26 -4.62 116.55 125.36 2bun n ASP 15 Ca 0.00 -3.38 -0.26 0.00 -0.01 0.00 0.00 54.79 51.15 2bun n ASP 15 Cb 0.00 -1.06 -0.11 0.00 -1.03 0.00 0.00 41.12 38.92 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 -2.69 2.49 -0.03 -2.12 2.01 -1.20 -3.71 118.68 113.44 2bun s LEU 16 Ca 0.48 -0.93 -0.17 0.00 0.01 0.00 0.00 54.13 53.53 2bun s LEU 16 Cb 0.36 -1.14 0.03 0.00 0.01 0.00 0.00 46.19 45.46 2bun s LEU 16 CO -0.07 0.09 0.36 -0.69 1.01 0.00 0.00 176.35 177.05 2bun s VAL 17 N -1.98 0.04 -0.18 -1.59 1.01 0.21 -0.12 120.40 117.79 2bun s VAL 17 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2bun s VAL 17 Cb -0.07 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.67 2bun s VAL 17 CO 0.12 -0.20 -0.17 -0.44 0.00 0.00 0.00 175.10 174.41 2bun s SER 18 N -1.12 3.43 -0.32 3.32 0.01 0.17 -0.53 113.70 118.66 2bun s SER 18 Ca -0.12 -0.57 -0.11 0.00 1.31 0.00 0.00 55.95 56.46 2bun s SER 18 Cb -0.04 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.63 2bun s SER 18 CO 0.04 0.02 0.20 0.00 0.41 0.00 0.00 173.24 173.91 2bun s TYR 21 N 1.40 2.73 -0.09 0.00 -0.85 0.12 -3.26 117.35 117.41 2bun s TYR 21 Ca 0.01 -0.13 -0.10 0.00 -0.52 0.00 0.00 57.07 56.34 2bun s TYR 21 Cb -0.21 -1.64 -0.05 0.00 0.38 0.00 0.00 41.96 40.44 2bun s TYR 21 CO 0.02 0.21 0.23 0.50 -1.52 0.00 0.00 175.55 174.99 2bun s ARG 22 N -0.75 3.63 0.36 -3.49 3.00 -0.40 -1.56 118.95 119.73 2bun s ARG 22 Ca 0.12 0.04 -0.07 0.00 -1.00 0.00 0.00 55.73 54.82 2bun s ARG 22 Cb -0.11 -3.21 0.03 0.00 0.00 0.00 0.00 34.95 31.66 2bun s ARG 22 CO 0.01 0.72 0.59 0.43 0.00 0.00 0.00 175.30 177.05 2bun n SER 23 N 2.02 -1.69 -4.44 -2.12 7.64 0.44 -0.14 113.62 115.33 2bun n SER 23 Ca -0.18 -2.72 -0.26 0.00 1.01 0.00 0.00 58.87 56.72 2bun n SER 23 Cb 0.54 2.98 -0.11 0.00 -1.01 0.00 0.00 64.21 66.60 2bun n SER 23 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bun s LEU 24 N 0.00 2.49 -0.13 -3.43 2.01 0.12 -0.01 118.68 119.73 2bun s LEU 24 Ca 0.23 -0.93 -0.10 0.00 0.01 0.00 0.00 54.13 53.34 2bun s LEU 24 Cb -0.02 -1.14 -0.05 0.00 0.01 0.00 0.00 46.19 44.99 2bun s LEU 24 CO 0.17 0.09 0.20 0.00 1.01 0.00 0.00 176.35 177.81 2bun s ALA 25 N -1.99 3.77 0.07 4.21 0.00 -0.19 0.49 121.76 128.12 2bun s ALA 25 Ca 0.24 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 2bun s ALA 25 Cb -0.07 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 2bun s ALA 25 CO 0.12 0.41 1.66 0.00 0.00 0.00 0.00 175.76 177.95 2bun s ALA 26 N -0.47 3.69 -1.59 0.00 0.00 -1.16 -4.63 121.76 117.60 2bun s ALA 26 Ca 0.15 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2bun s ALA 26 Cb -0.13 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2bun s ALA 26 CO 0.04 -1.12 0.69 -0.35 0.00 0.00 0.00 175.76 175.02 2bun n PRO 27 N 5.66 0.00 -0.23 0.00 -0.04 -1.26 -0.93 135.00 138.20 2bun n PRO 27 Ca 0.16 0.20 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 2bun n PRO 27 Cb 0.40 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.54 2bun n PRO 27 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2bun n ASP 28 N -1.19 3.12 -4.71 3.54 2.03 -1.26 -5.00 116.55 113.07 2bun n ASP 28 Ca 0.00 -2.17 -0.33 0.00 0.52 0.00 0.00 54.79 52.80 2bun n ASP 28 Cb 0.00 -0.29 0.11 0.00 -0.72 0.00 0.00 41.12 40.23 2bun n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2bun s LEU 29 N -1.31 3.19 0.09 -2.67 1.43 -0.10 -5.03 118.68 114.28 2bun s LEU 29 Ca 0.27 2.32 0.10 0.00 -1.03 0.00 0.00 54.13 55.79 2bun s LEU 29 Cb 0.16 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 2bun s LEU 29 CO 0.15 -2.49 -0.26 0.42 0.23 0.00 0.00 176.35 174.41 2bun s THR 30 N -2.15 2.29 0.22 5.49 -4.23 -1.26 -5.03 115.64 110.96 2bun s THR 30 Ca 0.73 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.59 2bun s THR 30 Cb -0.28 -1.97 0.17 0.00 1.34 0.00 0.00 72.50 71.77 2bun s THR 30 CO 0.49 0.21 1.74 0.25 -0.54 0.00 0.00 174.62 176.77 2bun h LEU 31 N 4.26 0.23 -2.01 4.79 5.85 -1.99 0.79 115.31 127.22 2bun h LEU 31 Ca -0.49 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2bun h LEU 31 Cb 1.16 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2bun h LEU 31 CO 0.42 0.12 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.52 2bun h ARG 32 N 0.42 0.00 0.07 1.25 9.65 -1.96 0.12 114.38 123.92 2bun h ARG 32 Ca 0.34 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.96 2bun h ARG 32 Cb 0.46 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2bun h ARG 32 CO -0.34 0.02 -1.11 -0.44 2.80 0.00 0.00 179.97 180.90 2bun h ASP 33 N 0.00 0.63 -0.09 -3.80 5.19 -1.29 0.11 116.42 117.17 2bun h ASP 33 Ca -0.00 -0.56 -0.15 0.00 -0.62 0.00 0.00 57.03 55.70 2bun h ASP 33 Cb 0.33 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2bun h ASP 33 CO 0.00 1.38 -0.46 -0.07 -3.12 0.00 0.00 179.24 176.98 2bun h LEU 34 N 0.22 0.69 -0.93 1.55 -0.00 -0.01 0.57 115.31 117.39 2bun h LEU 34 Ca -0.13 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.88 57.36 2bun h LEU 34 Cb 1.77 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 42.23 2bun h LEU 34 CO 0.20 1.05 -0.26 -0.07 -0.00 0.00 0.00 178.44 179.35 2bun h LEU 35 N 0.51 0.00 0.02 1.67 -0.00 -0.88 0.16 115.31 116.79 2bun h LEU 35 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 2bun h LEU 35 Cb 1.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.66 2bun h LEU 35 CO 0.09 0.26 -0.28 -0.78 -0.00 0.00 0.00 178.44 177.74 2bun h ASP 36 N 0.00 0.22 -0.35 -0.43 1.82 -0.36 -3.10 116.42 114.22 2bun h ASP 36 Ca -0.00 -0.83 0.06 0.00 -0.39 0.00 0.00 57.03 55.86 2bun h ASP 36 Cb 0.84 -0.07 -0.08 0.00 0.68 0.00 0.00 39.33 40.70 2bun h ASP 36 CO 0.03 1.02 -0.47 0.40 -1.61 0.00 0.00 179.24 178.62 2bun h ILE 37 N -0.56 0.08 -0.41 2.25 2.04 -0.50 0.21 117.51 120.62 2bun h ILE 37 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2bun h ILE 37 Cb 1.08 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2bun h ILE 37 CO 0.05 0.00 0.17 1.62 0.00 0.00 0.00 178.15 180.00 2bun h VAL 38 N -0.38 0.93 0.98 1.67 3.04 -1.11 0.48 116.25 121.85 2bun h VAL 38 Ca 0.11 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.63 2bun h VAL 38 Cb 0.60 0.54 0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2bun h VAL 38 CO -0.55 0.07 -0.47 -0.33 -1.01 0.00 0.00 177.57 175.27 2bun h GLU 39 N 0.36 -1.27 -0.38 4.17 4.39 -1.31 -2.05 114.58 118.49 2bun h GLU 39 Ca 0.18 0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2bun h GLU 39 Cb 0.13 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2bun h GLU 39 CO -0.16 -0.85 0.19 1.15 -1.16 0.00 0.00 179.01 178.19 2bun h THR 40 N -1.35 1.13 0.34 1.13 2.02 -0.56 -0.38 112.91 115.25 2bun h THR 40 Ca -0.13 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2bun h THR 40 Cb 1.01 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2bun h THR 40 CO 0.22 0.15 -0.16 -1.28 0.37 0.00 0.00 175.52 174.82 2bun h SER 41 N 0.53 -0.38 -0.25 4.18 0.87 -0.78 -1.81 113.55 115.91 2bun h SER 41 Ca 0.14 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2bun h SER 41 Cb 0.05 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2bun h SER 41 CO -0.02 -0.21 0.14 1.56 -0.53 0.00 0.00 176.83 177.77 2bun h GLN 42 N -0.53 0.34 0.00 2.24 4.20 -0.90 0.16 115.11 120.62 2bun h GLN 42 Ca -0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2bun h GLN 42 Cb 0.40 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2bun h GLN 42 CO 0.08 0.30 -0.06 0.00 -0.67 0.00 0.00 178.83 178.48 2bun h ALA 43 N 1.02 1.79 0.07 3.87 0.00 -1.00 0.35 119.26 125.36 2bun h ALA 43 Ca 0.09 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 2bun h ALA 43 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2bun h ALA 43 CO -0.01 0.08 -1.92 1.58 0.00 0.00 0.00 179.25 178.98 2bun n HIS 44 N -4.31 0.98 -0.20 0.00 -0.00 -0.69 -3.73 115.22 107.27 2bun n HIS 44 Ca -0.03 0.26 -0.08 0.00 -0.00 0.00 0.00 57.72 57.88 2bun n HIS 44 Cb 0.15 -1.12 0.02 0.00 -0.00 0.00 0.00 29.99 29.04 2bun n HIS 44 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 2bun h ASN 45 N -0.25 0.80 -0.66 0.26 4.21 -0.19 0.42 115.58 120.16 2bun h ASN 45 Ca -0.44 -0.17 -0.03 0.00 1.21 0.00 0.00 56.30 56.86 2bun h ASN 45 Cb 1.82 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 38.79 2bun h ASN 45 CO -0.03 0.75 0.29 0.00 -1.29 0.00 0.00 177.43 177.15 2bun h ALA 46 N 1.08 0.86 -0.05 -0.83 0.00 -0.49 0.50 119.26 120.32 2bun h ALA 46 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2bun h ALA 46 Cb 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bun h ALA 46 CO -0.02 0.45 0.01 -0.09 0.00 0.00 0.00 179.25 179.60 2bun h ARG 47 N 0.93 0.09 0.00 0.00 2.43 -1.50 -2.59 114.38 113.74 2bun h ARG 47 Ca 0.22 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2bun h ARG 47 Cb 0.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2bun h ARG 47 CO -0.02 0.32 0.00 0.00 -1.51 0.00 0.00 179.97 178.76 2bun n ALA 48 N -2.24 2.53 -1.63 2.80 0.00 0.14 -4.86 120.51 117.24 2bun n ALA 48 Ca -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 2bun n ALA 48 Cb 0.16 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 2bun n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bun n GLN 49 N -1.10 -0.36 -3.18 0.00 6.02 0.41 -4.76 117.38 114.42 2bun n GLN 49 Ca 0.19 0.44 -0.38 0.00 -0.01 0.00 0.00 57.00 57.25 2bun n GLN 49 Cb 0.14 -4.18 -0.06 0.00 1.02 0.00 0.00 30.24 27.16 2bun n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bun s LEU 50 N -1.25 4.49 0.15 1.08 1.02 0.15 -4.81 118.68 119.49 2bun s LEU 50 Ca 0.00 1.37 0.11 0.00 0.02 0.00 0.00 54.13 55.62 2bun s LEU 50 Cb 0.00 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.99 2bun s LEU 50 CO 0.00 0.19 -0.25 0.42 0.02 0.00 0.00 176.35 176.73 2bun s THR 51 N -1.24 2.19 0.18 5.49 -4.23 0.71 -4.22 115.64 114.52 2bun s THR 51 Ca 0.34 -1.82 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 2bun s THR 51 Cb -0.19 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.76 2bun s THR 51 CO 0.21 -0.01 1.04 -0.83 -0.54 0.00 0.00 174.62 174.49 2bun s GLY 52 N -2.25 0.11 0.05 3.99 0.00 -0.03 0.84 107.32 110.03 2bun s GLY 52 Ca 0.15 -0.33 -0.27 0.00 0.00 0.00 0.00 44.72 44.27 2bun s GLY 52 CO 0.07 2.51 0.67 0.00 0.00 0.00 0.00 173.10 176.35 2bun s ALA 53 N -2.17 -1.70 -0.05 3.20 0.00 -1.15 -0.34 121.76 119.55 2bun s ALA 53 Ca 0.22 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.12 2bun s ALA 53 Cb -0.03 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.52 2bun s ALA 53 CO 0.05 -0.57 -0.10 -1.17 0.00 0.00 0.00 175.76 173.97 2bun s LEU 54 N -1.99 1.59 -0.16 0.00 1.98 -0.15 -2.96 118.68 116.99 2bun s LEU 54 Ca -0.04 -0.23 0.00 0.00 -2.89 0.00 0.00 54.13 50.97 2bun s LEU 54 Cb -0.01 -0.67 0.02 0.00 0.66 0.00 0.00 46.19 46.20 2bun s LEU 54 CO -0.02 0.02 -0.15 -0.36 -1.89 0.00 0.00 176.35 173.95 2bun s PHE 55 N 0.62 2.31 -0.35 5.38 0.08 0.71 -2.67 117.98 124.06 2bun s PHE 55 Ca -0.11 -1.33 -0.05 0.00 0.12 0.00 0.00 56.93 55.56 2bun s PHE 55 Cb -0.14 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.71 2bun s PHE 55 CO 0.02 -0.70 0.12 -0.47 -0.10 0.00 0.00 175.22 174.09 2bun s TYR 56 N 1.44 3.35 -0.53 0.36 6.14 -1.26 -0.47 117.35 126.38 2bun s TYR 56 Ca 0.05 -1.80 -0.07 0.00 0.64 0.00 0.00 57.07 55.89 2bun s TYR 56 Cb -0.13 -2.54 0.14 0.00 0.42 0.00 0.00 41.96 39.85 2bun s TYR 56 CO -0.11 -0.82 0.38 0.45 0.64 0.00 0.00 175.55 176.08 2bun s SER 57 N 1.56 5.60 0.00 4.32 0.15 0.45 -4.74 113.70 121.04 2bun s SER 57 Ca 0.00 -2.23 0.00 0.00 0.70 0.00 0.00 55.95 54.42 2bun s SER 57 Cb -0.21 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2bun s SER 57 CO -0.00 -0.58 0.00 1.67 1.20 0.00 0.00 173.24 175.53 2bun n GLN 58 N 4.43 0.00 0.00 5.44 -0.06 -1.26 -1.09 117.38 124.84 2bun n GLN 58 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 2bun n GLN 58 Cb 0.41 -2.79 0.00 0.00 -4.06 0.00 0.00 30.24 23.79 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 -1.84 0.56 3.83 1.69 0.00 -1.26 -5.12 105.19 103.04 2bun n GLY 59 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.73 -0.05 1.61 -7.23 -0.25 -1.02 120.40 118.19 2bun s VAL 60 Ca 0.00 1.05 -0.04 0.00 -1.81 0.00 0.00 61.98 61.18 2bun s VAL 60 Cb 0.00 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 2bun s VAL 60 CO 0.00 0.28 0.15 -0.36 -0.31 0.00 0.00 175.10 174.86 2bun s PHE 61 N -1.43 3.52 -0.09 2.82 0.08 0.98 -0.41 117.98 123.45 2bun s PHE 61 Ca 0.38 0.40 -0.03 0.00 0.12 0.00 0.00 56.93 57.80 2bun s PHE 61 Cb -0.16 -1.86 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 2bun s PHE 61 CO 0.20 0.66 0.11 0.12 -0.10 0.00 0.00 175.22 176.21 2bun s PHE 62 N -1.18 -0.01 0.01 0.36 5.36 0.38 -0.42 117.98 122.47 2bun s PHE 62 Ca 0.21 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.44 2bun s PHE 62 Cb -0.12 -0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 42.10 2bun s PHE 62 CO 0.12 -0.31 -0.03 -1.14 -1.46 0.00 0.00 175.22 172.39 2bun s GLN 63 N 2.21 0.24 0.04 10.12 0.74 -0.60 -0.21 119.66 132.21 2bun s GLN 63 Ca 0.04 -0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.12 2bun s GLN 63 Cb -0.13 -0.11 -0.02 0.00 1.10 0.00 0.00 33.01 33.85 2bun s GLN 63 CO -0.06 0.02 0.07 1.67 -0.55 0.00 0.00 175.29 176.44 2bun s TRP 64 N -0.55 0.26 0.01 1.67 -2.14 -1.16 0.14 118.94 117.17 2bun s TRP 64 Ca -0.05 -0.62 0.01 0.00 2.66 0.00 0.00 56.10 58.11 2bun s TRP 64 Cb -0.04 -0.19 -0.01 0.00 -3.10 0.00 0.00 33.47 30.13 2bun s TRP 64 CO -0.00 -0.37 -0.04 -0.48 -2.66 0.00 0.00 176.95 173.41 2bun s LEU 65 N -2.27 2.08 -0.25 -4.66 2.34 -0.96 -2.91 118.68 112.05 2bun s LEU 65 Ca -0.03 -0.19 -0.11 0.00 0.06 0.00 0.00 54.13 53.87 2bun s LEU 65 Cb 0.00 -0.11 -0.05 0.00 -0.56 0.00 0.00 46.19 45.47 2bun s LEU 65 CO -0.06 -0.05 0.16 -1.61 -1.06 0.00 0.00 176.35 173.74 2bun s GLU 66 N -0.49 4.05 0.17 1.48 2.02 0.25 -2.13 118.70 124.04 2bun s GLU 66 Ca -0.03 -0.28 -0.23 0.00 0.02 0.00 0.00 54.97 54.45 2bun s GLU 66 Cb -0.04 -3.56 0.07 0.00 0.10 0.00 0.00 34.13 30.71 2bun s GLU 66 CO -0.00 0.02 1.02 0.20 0.02 0.00 0.00 175.26 176.52 2bun s GLY 67 N 1.17 -0.03 0.09 -1.39 0.00 0.31 -0.21 107.32 107.26 2bun s GLY 67 Ca 0.07 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.36 2bun s GLY 67 CO 0.06 1.40 1.39 -1.58 0.00 0.00 0.00 173.10 174.36 2bun s HIS 68 N -2.58 3.14 0.18 1.90 2.46 -1.25 0.64 115.29 119.78 2bun s HIS 68 Ca 0.18 0.92 -0.07 0.00 0.47 0.00 0.00 55.06 56.57 2bun s HIS 68 Cb -0.02 -3.67 0.27 0.00 -0.13 0.00 0.00 32.58 29.03 2bun s HIS 68 CO 0.04 -2.39 1.02 -2.30 -2.47 0.00 0.00 174.74 168.64 2bun n PRO 69 N 4.30 -0.08 0.19 2.88 -0.01 -1.24 0.48 135.00 141.51 2bun n PRO 69 Ca 0.12 1.02 0.07 0.00 -0.01 0.00 0.00 63.50 64.70 2bun n PRO 69 Cb 0.43 -1.52 0.30 0.00 -0.01 0.00 0.00 33.50 32.69 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 1.23 0.92 -0.21 3.55 0.00 -1.92 0.84 119.26 123.67 2bun h ALA 70 Ca 0.30 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2bun h ALA 70 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2bun h ALA 70 CO -0.67 0.42 -0.40 0.00 0.00 0.00 0.00 179.25 178.60 2bun h ALA 71 N 1.66 0.33 -0.63 0.00 0.00 -0.34 0.21 119.26 120.48 2bun h ALA 71 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2bun h ALA 71 Cb 0.97 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2bun h ALA 71 CO 0.04 0.43 0.41 0.28 0.00 0.00 0.00 179.25 180.41 2bun h VAL 72 N 0.32 1.14 -0.13 0.00 2.07 -0.90 1.00 116.25 119.75 2bun h VAL 72 Ca 0.01 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 2bun h VAL 72 Cb 1.00 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2bun h VAL 72 CO 0.09 0.15 -0.58 0.00 0.02 0.00 0.00 177.57 177.26 2bun h ALA 73 N 1.24 0.77 -0.62 1.67 0.00 -0.68 0.62 119.26 122.26 2bun h ALA 73 Ca 0.24 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2bun h ALA 73 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2bun h ALA 73 CO -0.07 0.70 0.41 1.49 0.00 0.00 0.00 179.25 181.79 2bun h GLU 74 N 0.30 0.81 0.24 0.00 4.81 0.08 0.64 114.58 121.46 2bun h GLU 74 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2bun h GLU 74 Cb 1.10 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2bun h GLU 74 CO 0.10 0.54 -0.11 0.28 -0.73 0.00 0.00 179.01 179.08 2bun h VAL 75 N 0.84 0.78 -0.36 0.32 2.07 -0.47 -2.02 116.25 117.40 2bun h VAL 75 Ca 0.23 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.78 2bun h VAL 75 Cb -0.09 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 2bun h VAL 75 CO -0.05 0.01 -0.17 0.24 0.02 0.00 0.00 177.57 177.61 2bun h MET 76 N -0.34 -0.11 -0.97 1.57 2.86 0.91 0.23 114.93 119.08 2bun h MET 76 Ca -0.03 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.75 2bun h MET 76 Cb 0.26 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.86 2bun h MET 76 CO 0.05 -0.07 0.59 0.77 1.06 0.00 0.00 176.91 179.31 2bun h SER 77 N -0.11 0.83 -0.09 1.22 0.02 0.37 0.67 113.55 116.46 2bun h SER 77 Ca 0.18 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2bun h SER 77 Cb 0.39 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2bun h SER 77 CO -0.44 0.41 -0.16 0.45 -1.14 0.00 0.00 176.83 175.95 2bun h HIS 78 N 0.89 0.34 0.00 3.45 3.86 -0.47 -3.22 115.15 120.00 2bun h HIS 78 Ca 0.50 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.49 2bun h HIS 78 Cb 0.57 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2bun h HIS 78 CO -0.02 0.76 -0.45 0.82 0.86 0.00 0.00 177.93 179.90 2bun h ILE 79 N -0.18 0.84 0.00 2.45 2.04 0.59 -3.06 117.51 120.20 2bun h ILE 79 Ca 0.01 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.92 2bun h ILE 79 Cb 0.74 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2bun h ILE 79 CO 0.04 0.44 0.00 1.56 0.00 0.00 0.00 178.15 180.19 2bun h GLN 80 N 0.00 0.00 -0.90 2.37 1.08 0.20 -2.58 115.11 115.28 2bun h GLN 80 Ca -0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 2bun h GLN 80 Cb 1.21 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 28.37 2bun h GLN 80 CO 0.06 0.00 0.54 0.54 -0.95 0.00 0.00 178.83 179.02 2bun n ARG 81 N -2.82 2.40 0.00 1.46 5.12 -1.16 -4.94 116.66 116.72 2bun n ARG 81 Ca 0.04 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 52.92 2bun n ARG 81 Cb 0.46 -2.15 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 2bun n ARG 81 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2bun n ASP 82 N -1.02 0.00 0.00 0.55 2.03 -0.97 -5.03 116.55 112.11 2bun n ASP 82 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2bun n ASP 82 Cb 1.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.98 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 0.09 -0.67 -4.01 -1.26 -4.97 116.66 105.83 2bun n ARG 83 Ca 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.69 2bun n ARG 83 Cb 0.00 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.34 2bun n ARG 83 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2bun h ARG 84 N 0.00 -0.25 -7.01 2.89 2.47 -1.97 -3.46 114.38 107.05 2bun h ARG 84 Ca 0.00 0.02 -0.46 0.00 -1.26 0.00 0.00 59.98 58.28 2bun h ARG 84 Cb 0.00 0.06 0.07 0.00 -1.65 0.00 0.00 29.97 28.45 2bun h ARG 84 CO 0.00 0.13 0.06 -3.38 0.56 0.00 0.00 179.97 177.34 2bun s HIS 85 N -4.11 2.09 -0.20 3.04 -3.43 -1.26 -3.01 115.29 108.41 2bun s HIS 85 Ca -0.14 -0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 53.95 2bun s HIS 85 Cb 0.01 -2.90 0.01 0.00 -1.43 0.00 0.00 32.58 28.27 2bun s HIS 85 CO 0.54 -1.39 -0.13 -1.12 -2.00 0.00 0.00 174.74 170.64 2bun s SER 86 N -4.62 3.66 0.00 7.38 0.01 0.18 -4.52 113.70 115.80 2bun s SER 86 Ca 0.63 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2bun s SER 86 Cb -0.07 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2bun s SER 86 CO 0.42 -0.00 0.00 0.59 0.41 0.00 0.00 173.24 174.66 2bun n ASN 87 N 4.67 0.00 -2.43 2.44 3.02 -1.26 -0.70 115.26 121.00 2bun n ASN 87 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2bun n ASN 87 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.29 -3.92 2.41 3.14 -1.26 -4.95 118.33 112.46 2bun n VAL 88 Ca 0.00 0.28 -0.30 0.00 -2.96 0.00 0.00 64.34 61.35 2bun n VAL 88 Cb 0.00 -2.12 -0.15 0.00 -1.06 0.00 0.00 33.84 30.51 2bun n VAL 88 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2bun s GLU 89 N -0.55 1.42 0.00 1.45 2.56 0.81 -4.97 118.70 119.41 2bun s GLU 89 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 54.97 53.08 2bun s GLU 89 Cb 0.00 -2.92 0.00 0.00 2.00 0.00 0.00 34.13 33.21 2bun s GLU 89 CO 0.00 -1.00 0.74 -0.89 -0.56 0.00 0.00 175.26 173.55 2bun n ILE 90 N 4.07 0.00 0.00 -3.70 2.08 -1.26 -1.28 119.36 119.27 2bun n ILE 90 Ca 0.03 1.19 0.00 0.00 0.56 0.00 0.00 62.75 64.53 2bun n ILE 90 Cb 0.39 -1.64 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 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 -2.20 0.00 -3.81 1.39 4.77 -1.26 -3.50 117.00 112.40 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 -0.39 0.00 -1.33 0.00 0.00 177.39 175.67 2bun s ALA 92 N -0.22 1.15 -0.22 -1.18 0.00 -1.20 -5.05 121.76 115.04 2bun s ALA 92 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2bun s ALA 92 Cb 0.00 -1.07 0.05 0.00 0.00 0.00 0.00 23.12 22.10 2bun s ALA 92 CO 0.00 -0.88 -0.05 -1.21 0.00 0.00 0.00 175.76 173.62 2bun s GLU 93 N 1.78 1.57 -0.05 0.00 2.02 -1.26 0.47 118.70 123.23 2bun s GLU 93 Ca 0.01 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2bun s GLU 93 Cb -0.15 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 2bun s GLU 93 CO -0.07 -0.55 -0.20 -1.83 0.02 0.00 0.00 175.26 172.63 2bun s GLU 94 N 1.47 2.02 -0.07 1.61 -1.05 0.65 -4.96 118.70 118.38 2bun s GLU 94 Ca -0.04 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.77 2bun s GLU 94 Cb -0.18 -1.75 -0.03 0.00 -0.44 0.00 0.00 34.13 31.73 2bun s GLU 94 CO -0.07 0.30 1.19 -1.12 0.95 0.00 0.00 175.26 176.51 2bun s SER 95 N -0.06 7.06 0.47 0.83 0.01 -1.26 0.46 113.70 121.21 2bun s SER 95 Ca -0.03 1.78 0.02 0.00 1.31 0.00 0.00 55.95 59.03 2bun s SER 95 Cb -0.12 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 2bun s SER 95 CO 0.02 -0.59 0.05 0.27 0.41 0.00 0.00 173.24 173.40 2bun s ILE 96 N 2.30 0.98 -1.21 1.44 -4.36 0.83 -4.88 121.20 116.30 2bun s ILE 96 Ca 0.55 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 59.04 2bun s ILE 96 Cb -0.24 -2.24 0.06 0.00 1.25 0.00 0.00 42.46 41.30 2bun s ILE 96 CO 0.21 0.00 0.78 0.00 0.24 0.00 0.00 174.94 176.17 2bun n ALA 97 N -1.14 2.57 -0.97 2.27 0.00 -1.26 -1.85 120.51 120.14 2bun n ALA 97 Ca -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2bun n ALA 97 Cb 0.66 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 0.37 0.00 -2.35 0.00 4.81 -1.26 -4.78 118.16 114.95 2bun n LYS 98 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2bun n LYS 98 Cb 0.25 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.30 2bun n LYS 98 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2bun n ARG 99 N -0.76 0.00 -0.08 1.64 0.00 -1.26 -5.00 116.66 111.20 2bun n ARG 99 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 2bun n ARG 99 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 32.46 30.04 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 -0.54 0.48 -0.00 -0.14 1.74 -1.26 -4.77 116.66 112.17 2bun n ARG 100 Ca 0.00 0.32 0.08 0.00 -0.77 0.00 0.00 57.85 57.48 2bun n ARG 100 Cb 0.48 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.32 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 -4.43 0.00 0.00 -1.55 3.01 -1.26 -4.98 117.46 108.25 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 0.41 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.72 0.00 -3.06 4.37 0.00 -1.26 -4.79 120.51 114.05 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 0.34 -0.29 -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 -1.66 0.08 0.06 0.00 0.00 -1.26 -4.85 107.32 99.69 2bun s GLY 103 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 44.72 44.07 2bun s GLY 103 CO 0.00 -0.47 0.63 0.86 0.00 0.00 0.00 173.10 174.11 2bun s TRP 104 N -3.90 3.78 0.19 1.90 -0.00 -1.24 -0.85 118.94 118.83 2bun s TRP 104 Ca 0.11 1.33 0.09 0.00 -0.00 0.00 0.00 56.10 57.63 2bun s TRP 104 Cb 0.01 -2.60 -0.04 0.00 -0.00 0.00 0.00 33.47 30.84 2bun s TRP 104 CO -0.03 0.49 -0.19 -1.01 -0.00 0.00 0.00 176.95 176.21 2bun s HIS 105 N -0.77 1.93 -0.03 5.86 3.76 0.54 -4.77 115.29 121.81 2bun s HIS 105 Ca 0.31 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 2bun s HIS 105 Cb -0.20 -0.93 0.03 0.00 1.11 0.00 0.00 32.58 32.59 2bun s HIS 105 CO 0.20 0.42 -0.01 1.41 -0.85 0.00 0.00 174.74 175.91 2bun s MET 106 N -3.04 0.42 0.45 1.40 1.75 -1.26 -0.97 119.30 118.05 2bun s MET 106 Ca 0.20 0.04 0.22 0.00 -1.25 0.00 0.00 55.69 54.90 2bun s MET 106 Cb -0.05 -0.58 1.21 0.00 2.84 0.00 0.00 34.83 38.25 2bun s MET 106 CO 0.08 -0.13 1.83 0.37 -0.65 0.00 0.00 175.02 176.52 2bun h GLN 107 N 7.31 0.28 -0.96 4.11 4.15 -1.92 -1.03 115.11 127.04 2bun h GLN 107 Ca -0.40 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.20 2bun h GLN 107 Cb 1.14 -0.06 -0.11 0.00 0.21 0.00 0.00 27.48 28.66 2bun h GLN 107 CO 0.46 0.18 0.54 1.25 -1.93 0.00 0.00 178.83 179.33 2bun h LEU 108 N 0.28 0.66 0.00 -2.39 5.85 -1.96 -3.44 115.31 114.31 2bun h LEU 108 Ca 0.51 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.34 2bun h LEU 108 Cb 1.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2bun h LEU 108 CO -0.16 0.21 0.00 -1.54 -0.34 0.00 0.00 178.44 176.60 2bun n SER 109 N -4.84 0.00 0.00 1.25 3.41 -0.39 0.20 113.62 113.25 2bun n SER 109 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2bun n SER 109 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bun n SER 111 N -0.29 -9.52 -0.41 0.00 3.41 0.13 -4.82 113.62 102.12 2bun n SER 111 Ca 0.00 1.36 0.02 0.00 -0.26 0.00 0.00 58.87 59.99 2bun n SER 111 Cb 0.24 -5.09 0.07 0.00 -0.26 0.00 0.00 64.21 59.18 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 0.53 1.47 0.13 4.33 4.71 -1.26 -3.28 120.64 127.26 2bun n GLU 112 Ca 0.00 -0.59 0.12 0.00 -0.01 0.00 0.00 57.16 56.68 2bun n GLU 112 Cb 0.00 -1.25 0.47 0.00 -1.01 0.00 0.00 31.44 29.66 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bun n ALA 113 N 0.00 1.82 -0.18 0.62 0.00 -1.26 -2.50 120.51 119.02 2bun n ALA 113 Ca 0.05 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 2bun n ALA 113 Cb 0.21 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.25 2bun n ALA 113 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2bun h ASP 114 N 0.00 0.91 1.01 0.00 3.58 -1.87 -2.42 116.42 117.63 2bun h ASP 114 Ca 0.00 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.11 2bun h ASP 114 Cb 0.46 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2bun h ASP 114 CO 0.00 1.01 -0.11 0.00 -2.88 0.00 0.00 179.24 177.26 2bun h MET 115 N 0.78 0.00 0.00 0.28 -0.00 -1.76 -3.46 114.93 110.77 2bun h MET 115 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 2bun h MET 115 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 2bun h MET 115 CO 0.03 0.11 0.00 -2.13 -0.00 0.00 0.00 176.91 174.92 2bun n ARG 116 N -3.24 0.00 0.00 -0.10 3.00 -0.91 -4.52 116.66 110.89 2bun n ARG 116 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.88 2bun n ARG 116 Cb 0.37 0.00 0.12 0.00 0.00 0.00 0.00 32.46 32.95 2bun n ARG 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bun n SER 117 N 1.77 0.00 0.20 6.15 2.88 -1.26 -0.47 113.62 122.90 2bun n SER 117 Ca 0.00 0.02 0.09 0.00 -1.33 0.00 0.00 58.87 57.65 2bun n SER 117 Cb 0.00 -0.12 0.28 0.00 -0.75 0.00 0.00 64.21 63.62 2bun n SER 117 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2bun h LEU 118 N 0.00 0.00 0.00 2.46 8.10 -1.79 -3.44 115.31 120.64 2bun h LEU 118 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2bun h LEU 118 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 2bun h LEU 118 CO 0.00 0.21 0.00 0.61 -4.11 0.00 0.00 178.44 175.15 2bun n GLY 119 N 0.72 0.00 0.08 0.17 0.00 -1.05 -4.96 105.19 100.15 2bun n GLY 119 Ca 0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 0.11 -7.90 0.99 5.85 -1.61 -3.32 115.31 109.43 2bun h LEU 120 Ca 0.00 -0.53 -0.73 0.00 0.84 0.00 0.00 57.88 57.46 2bun h LEU 120 Cb 0.00 -0.03 -0.21 0.00 0.37 0.00 0.00 40.66 40.79 2bun h LEU 120 CO 0.00 0.62 0.63 0.00 -0.34 0.00 0.00 178.44 179.35 2bun s ALA 121 N -4.09 3.69 0.05 1.25 0.00 0.38 -4.95 121.76 118.10 2bun s ALA 121 Ca -0.16 -3.03 0.04 0.00 0.00 0.00 0.00 51.96 48.81 2bun s ALA 121 Cb 0.02 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 2bun s ALA 121 CO 0.70 -2.72 -0.11 -2.00 0.00 0.00 0.00 175.76 171.63 2bun s GLU 122 N 1.67 0.67 -0.90 0.00 2.56 -1.25 -4.27 118.70 117.18 2bun s GLU 122 Ca 0.29 -0.81 -0.25 0.00 0.00 0.00 0.00 54.97 54.20 2bun s GLU 122 Cb -0.06 -0.56 0.04 0.00 2.00 0.00 0.00 34.13 35.55 2bun s GLU 122 CO -0.09 0.12 1.38 -1.54 -0.56 0.00 0.00 175.26 174.57 2bun s SER 123 N -1.55 6.36 0.00 -1.70 1.04 -1.26 -4.72 113.70 111.86 2bun s SER 123 Ca -0.05 -1.03 0.23 0.00 0.48 0.00 0.00 55.95 55.58 2bun s SER 123 Cb -0.10 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.63 2bun s SER 123 CO 0.01 -1.65 1.18 -2.11 0.98 0.00 0.00 173.24 171.65 2bun n ARG 124 N 9.10 0.00 -0.02 4.02 0.00 -1.26 -5.26 116.66 123.24 2bun n ARG 124 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 2bun n ARG 124 Cb 0.50 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.46 2bun n ARG 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63