#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 3.36 0.19 1.96 2.56 -1.26 -4.93 118.70 120.59 2bun s GLU 6 Ca 0.00 1.51 -0.33 0.00 0.00 0.00 0.00 54.97 56.15 2bun s GLU 6 Cb 0.00 -2.02 -0.13 0.00 2.00 0.00 0.00 34.13 33.98 2bun s GLU 6 CO 0.00 -0.82 1.56 0.00 -0.56 0.00 0.00 175.26 175.44 2bun n ALA 7 N -1.44 1.57 -1.37 6.30 0.00 -1.26 -5.00 120.51 119.31 2bun n ALA 7 Ca 0.11 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2bun n ALA 7 Cb 0.51 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2bun n ALA 7 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bun n ASP 8 N 3.12 0.00 0.00 0.00 -0.08 -1.26 -4.85 116.55 113.48 2bun n ASP 8 Ca 0.15 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.49 2bun n ASP 8 Cb 0.31 0.00 0.31 0.00 2.34 0.00 0.00 41.12 44.08 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 0.00 0.66 -4.99 5.18 0.24 -1.26 -4.97 118.33 113.18 2bun n VAL 9 Ca 0.00 0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2bun n VAL 9 Cb 0.00 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 2bun n VAL 9 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bun n THR 10 N -1.28 0.00 -2.38 3.34 -2.24 -1.26 -4.29 114.28 106.17 2bun n THR 10 Ca 0.06 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 2bun n THR 10 Cb 0.10 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 3.24 -1.19 -0.78 -1.94 -1.26 -4.91 119.30 112.46 2bun s MET 11 Ca 0.00 0.39 -0.22 0.00 -1.71 0.00 0.00 55.69 54.15 2bun s MET 11 Cb 0.00 -4.15 -0.06 0.00 2.01 0.00 0.00 34.83 32.63 2bun s MET 11 CO 0.00 -2.02 1.90 0.95 -0.01 0.00 0.00 175.02 175.84 2bun s THR 12 N 6.26 3.63 -0.14 2.05 -4.23 -1.26 -4.82 115.64 117.14 2bun s THR 12 Ca 0.52 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2bun s THR 12 Cb -0.11 -4.65 0.07 0.00 1.34 0.00 0.00 72.50 69.15 2bun s THR 12 CO 0.23 -1.16 0.19 -0.83 -0.54 0.00 0.00 174.62 172.52 2bun s GLY 13 N 6.19 0.04 0.00 3.99 0.00 -1.25 -4.97 107.32 111.32 2bun s GLY 13 Ca 0.66 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.80 2bun s GLY 13 CO 0.12 1.89 0.00 1.44 0.00 0.00 0.00 173.10 176.55 2bun n SER 14 N 5.32 0.00 -2.54 1.64 7.64 -1.26 -4.70 113.62 119.72 2bun n SER 14 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 2bun n SER 14 Cb 0.50 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.82 5.84 -4.48 6.43 5.75 -1.26 -4.89 116.55 123.12 2bun n ASP 15 Ca 0.00 -3.77 -0.25 0.00 -0.01 0.00 0.00 54.79 50.77 2bun n ASP 15 Cb 0.00 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.32 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 -3.74 2.64 0.02 -2.12 2.01 -1.21 -3.84 118.68 112.45 2bun s LEU 16 Ca 0.51 -0.94 -0.13 0.00 0.01 0.00 0.00 54.13 53.57 2bun s LEU 16 Cb 0.42 -1.20 0.02 0.00 0.01 0.00 0.00 46.19 45.44 2bun s LEU 16 CO -0.21 0.05 0.29 -0.69 1.01 0.00 0.00 176.35 176.80 2bun s VAL 17 N -2.31 0.08 -0.16 -1.59 1.01 0.19 -0.07 120.40 117.55 2bun s VAL 17 Ca 0.28 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2bun s VAL 17 Cb -0.06 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.57 2bun s VAL 17 CO 0.15 -0.34 -0.07 -0.44 0.00 0.00 0.00 175.10 174.39 2bun s SER 18 N -1.76 2.73 -0.24 3.32 0.01 0.14 -0.55 113.70 117.35 2bun s SER 18 Ca -0.09 -0.59 -0.16 0.00 1.31 0.00 0.00 55.95 56.42 2bun s SER 18 Cb -0.03 -0.94 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 2bun s SER 18 CO -0.00 -0.16 0.42 0.00 0.41 0.00 0.00 173.24 173.91 2bun s TYR 21 N 1.02 2.40 -0.13 0.00 -0.85 -0.06 -3.81 117.35 115.93 2bun s TYR 21 Ca 0.01 -0.30 0.02 0.00 -0.52 0.00 0.00 57.07 56.27 2bun s TYR 21 Cb -0.20 -1.05 0.01 0.00 0.38 0.00 0.00 41.96 41.11 2bun s TYR 21 CO -0.06 0.69 -0.17 0.50 -1.52 0.00 0.00 175.55 174.99 2bun s ARG 22 N -3.56 2.48 0.29 -3.49 3.00 0.10 -1.64 118.95 116.13 2bun s ARG 22 Ca 0.30 -0.65 0.04 0.00 -1.00 0.00 0.00 55.73 54.43 2bun s ARG 22 Cb -0.05 -2.10 -0.06 0.00 0.00 0.00 0.00 34.95 32.74 2bun s ARG 22 CO 0.16 -0.09 0.01 -1.12 0.00 0.00 0.00 175.30 174.27 2bun s SER 23 N 1.04 2.31 -0.37 -2.12 0.01 0.11 -0.37 113.70 114.31 2bun s SER 23 Ca -0.04 -1.29 0.06 0.00 1.31 0.00 0.00 55.95 55.99 2bun s SER 23 Cb -0.15 -0.08 0.52 0.00 0.21 0.00 0.00 66.02 66.53 2bun s SER 23 CO -0.04 -0.52 1.58 0.18 0.41 0.00 0.00 173.24 174.85 2bun n LEU 24 N -0.59 5.14 0.00 2.44 7.99 -1.26 -0.03 117.00 130.69 2bun n LEU 24 Ca -0.04 -3.97 0.00 0.00 -0.01 0.00 0.00 56.01 52.00 2bun n LEU 24 Cb 0.65 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 2bun n LEU 24 CO 0.40 1.38 0.00 0.00 -1.51 0.00 0.00 177.39 177.66 2bun n ALA 25 N -1.05 -0.96 -1.86 -1.18 0.00 -0.89 -4.34 120.51 110.23 2bun n ALA 25 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 2bun n ALA 25 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.50 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 3.83 -0.66 0.00 0.00 -0.85 -4.55 121.76 119.52 2bun s ALA 26 Ca 0.00 1.43 0.12 0.00 0.00 0.00 0.00 51.96 53.51 2bun s ALA 26 Cb 0.00 -3.65 0.59 0.00 0.00 0.00 0.00 23.12 20.06 2bun s ALA 26 CO 0.00 -0.85 1.36 -0.35 0.00 0.00 0.00 175.76 175.92 2bun n PRO 27 N 4.10 0.07 -0.44 0.00 -0.04 -1.26 -1.86 135.00 135.57 2bun n PRO 27 Ca 0.15 0.51 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 2bun n PRO 27 Cb 0.38 -1.70 0.28 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.85 3.69 -4.85 3.54 2.03 -1.26 -4.93 116.55 112.92 2bun n ASP 28 Ca 0.00 -2.25 -0.31 0.00 0.52 0.00 0.00 54.79 52.75 2bun n ASP 28 Cb 0.06 -0.48 0.04 0.00 -0.72 0.00 0.00 41.12 40.02 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 -1.41 3.00 0.10 -2.67 1.43 -0.78 -5.09 118.68 113.27 2bun s LEU 29 Ca 0.41 1.35 0.08 0.00 -1.03 0.00 0.00 54.13 54.94 2bun s LEU 29 Cb 0.25 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 2bun s LEU 29 CO 0.22 -1.32 -0.21 0.42 0.23 0.00 0.00 176.35 175.69 2bun s THR 30 N -3.20 1.71 0.29 5.49 -4.23 -1.26 -5.02 115.64 109.42 2bun s THR 30 Ca 0.58 -1.52 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 2bun s THR 30 Cb -0.12 -1.55 0.26 0.00 1.34 0.00 0.00 72.50 72.43 2bun s THR 30 CO 0.54 -0.04 1.96 0.25 -0.54 0.00 0.00 174.62 176.78 2bun h LEU 31 N 4.14 0.99 -1.87 4.79 5.85 -2.00 -0.07 115.31 127.15 2bun h LEU 31 Ca -0.46 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2bun h LEU 31 Cb 1.18 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2bun h LEU 31 CO 0.40 0.71 -0.05 -0.09 -0.34 0.00 0.00 178.44 179.07 2bun h ARG 32 N 1.17 0.00 0.01 1.25 9.65 -1.97 0.54 114.38 125.03 2bun h ARG 32 Ca 0.32 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 59.01 2bun h ARG 32 Cb -0.11 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 2bun h ARG 32 CO -0.08 0.05 -0.93 0.22 2.80 0.00 0.00 179.97 182.04 2bun h ASP 33 N 0.00 0.07 0.10 -3.80 3.58 -1.42 0.36 116.42 115.31 2bun h ASP 33 Ca -0.00 -0.07 -0.25 0.00 0.42 0.00 0.00 57.03 57.14 2bun h ASP 33 Cb 0.38 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.42 2bun h ASP 33 CO 0.01 0.96 -0.97 -0.07 -2.88 0.00 0.00 179.24 176.29 2bun h LEU 34 N 0.02 0.78 -0.88 2.28 -0.00 -0.57 -0.49 115.31 116.46 2bun h LEU 34 Ca -0.02 -0.61 -0.12 0.00 -0.00 0.00 0.00 57.88 57.13 2bun h LEU 34 Cb 1.62 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 42.02 2bun h LEU 34 CO 0.13 1.40 -0.53 -0.07 -0.00 0.00 0.00 178.44 179.37 2bun h LEU 35 N 0.36 0.08 -0.19 1.67 -0.00 -0.96 -0.00 115.31 116.26 2bun h LEU 35 Ca -0.10 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.70 2bun h LEU 35 Cb 1.61 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.24 2bun h LEU 35 CO 0.18 0.60 -0.01 -0.78 -0.00 0.00 0.00 178.44 178.43 2bun h ASP 36 N 0.06 0.35 0.07 -0.43 3.58 -0.12 -1.71 116.42 118.22 2bun h ASP 36 Ca -0.00 -0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.15 2bun h ASP 36 Cb 0.96 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 2bun h ASP 36 CO 0.07 0.59 -0.46 0.40 -2.88 0.00 0.00 179.24 176.96 2bun h ILE 37 N 0.10 0.10 -0.03 2.25 2.04 -0.65 -1.23 117.51 120.09 2bun h ILE 37 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2bun h ILE 37 Cb 0.42 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2bun h ILE 37 CO 0.01 0.00 -0.12 1.62 0.00 0.00 0.00 178.15 179.66 2bun h VAL 38 N -0.66 0.69 -0.33 1.67 3.04 -0.95 0.53 116.25 120.24 2bun h VAL 38 Ca 0.02 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.76 2bun h VAL 38 Cb 0.70 0.69 -0.05 0.00 -2.01 0.00 0.00 31.29 30.62 2bun h VAL 38 CO -0.29 0.00 0.05 -0.33 -1.01 0.00 0.00 177.57 175.99 2bun h GLU 39 N -0.19 0.15 0.09 4.17 4.39 -1.25 -2.70 114.58 119.25 2bun h GLU 39 Ca 0.05 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.49 2bun h GLU 39 Cb 0.26 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2bun h GLU 39 CO -0.14 0.10 -1.14 1.15 -1.16 0.00 0.00 179.01 177.82 2bun h THR 40 N 0.16 1.51 -0.31 1.13 2.02 -0.99 -3.32 112.91 113.11 2bun h THR 40 Ca 0.16 -2.97 0.03 0.00 0.77 0.00 0.00 66.41 64.41 2bun h THR 40 Cb 0.19 2.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 2bun h THR 40 CO -0.23 0.87 0.10 -1.28 0.37 0.00 0.00 175.52 175.36 2bun h SER 41 N 0.09 0.11 -0.80 4.18 0.87 0.35 -1.99 113.55 116.37 2bun h SER 41 Ca -0.11 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2bun h SER 41 Cb 1.85 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.78 2bun h SER 41 CO 0.18 0.10 0.50 1.56 -0.53 0.00 0.00 176.83 178.64 2bun h GLN 42 N 0.24 0.90 0.00 2.24 4.20 -1.60 0.49 115.11 121.58 2bun h GLN 42 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2bun h GLN 42 Cb 0.11 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2bun h GLN 42 CO -0.15 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 178.61 2bun h ALA 43 N 1.37 1.00 0.04 3.87 0.00 -1.51 0.23 119.26 124.26 2bun h ALA 43 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.88 2bun h ALA 43 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2bun h ALA 43 CO -0.15 0.00 -2.15 1.58 0.00 0.00 0.00 179.25 178.53 2bun n HIS 44 N -2.74 0.54 0.16 0.00 -0.00 -0.15 -3.98 115.22 109.05 2bun n HIS 44 Ca 0.01 0.15 0.01 0.00 -0.00 0.00 0.00 57.72 57.90 2bun n HIS 44 Cb 0.28 -1.07 0.24 0.00 -0.00 0.00 0.00 29.99 29.45 2bun n HIS 44 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.34 173.39 2bun h ASN 45 N -0.35 0.00 -0.45 0.26 -1.07 0.14 0.31 115.58 114.41 2bun h ASN 45 Ca -0.52 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.82 2bun h ASN 45 Cb 1.78 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 38.01 2bun h ASN 45 CO -0.13 0.52 0.19 0.00 0.07 0.00 0.00 177.43 178.08 2bun h ALA 46 N 1.48 0.58 -0.16 4.14 0.00 -0.76 0.36 119.26 124.91 2bun h ALA 46 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2bun h ALA 46 Cb 0.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2bun h ALA 46 CO 0.07 0.18 0.02 -0.09 0.00 0.00 0.00 179.25 179.42 2bun h ARG 47 N 0.58 0.26 0.00 0.00 9.65 -1.55 -2.76 114.38 120.57 2bun h ARG 47 Ca 0.15 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2bun h ARG 47 Cb 0.17 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2bun h ARG 47 CO -0.01 0.45 0.00 0.00 2.80 0.00 0.00 179.97 183.20 2bun n ALA 48 N -2.29 2.49 -1.32 2.80 0.00 0.10 -4.86 120.51 117.43 2bun n ALA 48 Ca -0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 2bun n ALA 48 Cb 0.19 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.23 -0.74 -2.72 0.00 6.02 0.88 -4.62 117.38 114.98 2bun n GLN 49 Ca 0.16 0.87 -0.40 0.00 -0.01 0.00 0.00 57.00 57.61 2bun n GLN 49 Cb 0.21 -4.82 -0.05 0.00 1.02 0.00 0.00 30.24 26.59 2bun n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bun s LEU 50 N -2.43 4.60 0.13 1.08 1.02 0.86 -4.81 118.68 119.13 2bun s LEU 50 Ca 0.00 1.93 0.11 0.00 0.02 0.00 0.00 54.13 56.19 2bun s LEU 50 Cb 0.00 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.57 2bun s LEU 50 CO 0.00 0.07 -0.27 0.42 0.02 0.00 0.00 176.35 176.59 2bun s THR 51 N -0.83 2.27 0.20 5.49 -4.23 0.31 -4.33 115.64 114.52 2bun s THR 51 Ca 0.43 -1.75 -0.22 0.00 -1.18 0.00 0.00 61.69 58.98 2bun s THR 51 Cb -0.26 -2.00 0.08 0.00 1.34 0.00 0.00 72.50 71.66 2bun s THR 51 CO 0.32 0.10 1.02 -0.83 -0.54 0.00 0.00 174.62 174.69 2bun s GLY 52 N -2.05 0.13 0.20 3.99 0.00 -0.38 0.62 107.32 109.84 2bun s GLY 52 Ca 0.14 -0.37 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 2bun s GLY 52 CO 0.06 2.32 0.88 0.00 0.00 0.00 0.00 173.10 176.36 2bun s ALA 53 N -2.17 -1.50 0.01 3.20 0.00 -1.21 -0.71 121.76 119.37 2bun s ALA 53 Ca 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2bun s ALA 53 Cb -0.03 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 2bun s ALA 53 CO 0.06 -1.04 -0.03 -1.17 0.00 0.00 0.00 175.76 173.57 2bun s LEU 54 N -2.94 2.10 -0.23 0.00 1.98 -0.95 -3.23 118.68 115.40 2bun s LEU 54 Ca 0.12 -0.23 -0.02 0.00 -2.89 0.00 0.00 54.13 51.12 2bun s LEU 54 Cb -0.03 -0.05 0.07 0.00 0.66 0.00 0.00 46.19 46.84 2bun s LEU 54 CO 0.04 -0.09 0.04 -0.36 -1.89 0.00 0.00 176.35 174.08 2bun s PHE 55 N -0.60 1.36 -0.29 5.38 0.40 0.61 -4.50 117.98 120.34 2bun s PHE 55 Ca -0.05 -1.18 0.02 0.00 -0.60 0.00 0.00 56.93 55.12 2bun s PHE 55 Cb -0.04 -1.26 0.07 0.00 0.51 0.00 0.00 43.02 42.30 2bun s PHE 55 CO -0.00 -0.70 -0.04 -0.47 0.70 0.00 0.00 175.22 174.71 2bun s TYR 56 N 1.74 3.41 -0.58 0.36 6.14 -1.26 -0.20 117.35 126.96 2bun s TYR 56 Ca 0.01 -2.43 -0.02 0.00 0.64 0.00 0.00 57.07 55.27 2bun s TYR 56 Cb -0.17 -2.26 0.15 0.00 0.42 0.00 0.00 41.96 40.10 2bun s TYR 56 CO -0.12 -0.89 0.38 -1.54 0.64 0.00 0.00 175.55 174.02 2bun s SER 57 N 1.11 5.09 0.00 4.32 1.04 -0.79 -4.84 113.70 119.63 2bun s SER 57 Ca -0.03 -2.78 0.00 0.00 0.48 0.00 0.00 55.95 53.62 2bun s SER 57 Cb -0.20 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2bun s SER 57 CO -0.05 -0.37 0.00 0.00 0.98 0.00 0.00 173.24 173.80 2bun n GLN 58 N 3.56 0.00 0.00 4.02 10.64 -1.26 -2.43 117.38 131.91 2bun n GLN 58 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2bun n GLN 58 Cb 0.37 -3.62 0.00 0.00 -0.86 0.00 0.00 30.24 26.14 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2bun n GLY 59 N -1.62 0.01 3.67 2.61 0.00 -1.26 -5.10 105.19 103.50 2bun n GLY 59 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.97 -0.17 1.61 -7.23 -1.02 -2.09 120.40 116.47 2bun s VAL 60 Ca 0.00 1.41 -0.17 0.00 -1.81 0.00 0.00 61.98 61.41 2bun s VAL 60 Cb 0.00 -4.04 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 2bun s VAL 60 CO 0.00 0.10 0.44 -0.36 -0.31 0.00 0.00 175.10 174.97 2bun s PHE 61 N 1.83 3.43 -0.18 2.82 0.08 0.95 -1.89 117.98 125.02 2bun s PHE 61 Ca 0.34 0.74 0.00 0.00 0.12 0.00 0.00 56.93 58.13 2bun s PHE 61 Cb -0.16 -2.54 0.04 0.00 -0.57 0.00 0.00 43.02 39.78 2bun s PHE 61 CO 0.12 0.06 -0.08 0.12 -0.10 0.00 0.00 175.22 175.34 2bun s PHE 62 N 1.06 2.11 -0.01 0.36 5.36 0.72 0.08 117.98 127.66 2bun s PHE 62 Ca 0.22 -1.37 -0.01 0.00 -0.96 0.00 0.00 56.93 54.82 2bun s PHE 62 Cb -0.15 -1.50 0.01 0.00 -0.34 0.00 0.00 43.02 41.04 2bun s PHE 62 CO 0.09 -0.69 0.03 -1.14 -1.46 0.00 0.00 175.22 172.04 2bun s GLN 63 N 1.50 0.01 0.12 10.12 -0.44 -0.66 -0.29 119.66 130.03 2bun s GLN 63 Ca -0.00 0.09 -0.03 0.00 -2.50 0.00 0.00 55.36 52.91 2bun s GLN 63 Cb -0.16 -0.07 -0.03 0.00 -1.64 0.00 0.00 33.01 31.11 2bun s GLN 63 CO -0.08 -0.06 0.10 1.67 0.50 0.00 0.00 175.29 177.43 2bun s TRP 64 N 0.36 0.66 -0.07 1.67 -2.14 -1.20 -0.88 118.94 117.35 2bun s TRP 64 Ca -0.03 -1.06 -0.06 0.00 2.66 0.00 0.00 56.10 57.61 2bun s TRP 64 Cb -0.04 -0.34 0.02 0.00 -3.10 0.00 0.00 33.47 30.00 2bun s TRP 64 CO -0.01 -0.55 0.17 -0.48 -2.66 0.00 0.00 176.95 173.43 2bun s LEU 65 N -3.00 1.29 -0.23 -4.66 2.34 -0.86 -3.36 118.68 110.20 2bun s LEU 65 Ca 0.19 0.35 -0.09 0.00 0.06 0.00 0.00 54.13 54.64 2bun s LEU 65 Cb 0.06 0.59 -0.04 0.00 -0.56 0.00 0.00 46.19 46.24 2bun s LEU 65 CO -0.01 -0.07 0.11 -1.61 -1.06 0.00 0.00 176.35 173.71 2bun s GLU 66 N 0.16 3.90 0.16 1.48 2.02 0.20 -2.61 118.70 124.02 2bun s GLU 66 Ca -0.01 -0.36 -0.24 0.00 0.02 0.00 0.00 54.97 54.39 2bun s GLU 66 Cb -0.02 -3.40 0.08 0.00 0.10 0.00 0.00 34.13 30.89 2bun s GLU 66 CO -0.00 0.01 1.03 0.20 0.02 0.00 0.00 175.26 176.51 2bun s GLY 67 N 1.15 -0.03 0.09 -1.39 0.00 0.28 -0.53 107.32 106.89 2bun s GLY 67 Ca 0.06 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.34 2bun s GLY 67 CO 0.04 1.52 1.39 -1.58 0.00 0.00 0.00 173.10 174.47 2bun s HIS 68 N -2.54 3.14 0.15 1.90 2.46 -1.25 0.53 115.29 119.68 2bun s HIS 68 Ca 0.18 0.92 -0.10 0.00 0.47 0.00 0.00 55.06 56.53 2bun s HIS 68 Cb -0.02 -3.67 0.17 0.00 -0.13 0.00 0.00 32.58 28.93 2bun s HIS 68 CO 0.04 -2.39 0.98 -2.30 -2.47 0.00 0.00 174.74 168.60 2bun n PRO 69 N 4.31 -0.13 0.18 2.88 -0.01 -1.25 0.19 135.00 141.17 2bun n PRO 69 Ca 0.12 0.97 0.04 0.00 -0.01 0.00 0.00 63.50 64.62 2bun n PRO 69 Cb 0.43 -1.44 0.35 0.00 -0.01 0.00 0.00 33.50 32.82 2bun n PRO 69 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2bun h ALA 70 N 0.93 1.16 -0.25 3.55 0.00 -1.94 0.56 119.26 123.27 2bun h ALA 70 Ca 0.23 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2bun h ALA 70 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bun h ALA 70 CO -0.63 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2bun h ALA 71 N 1.60 0.34 -0.94 0.00 0.00 -0.63 0.19 119.26 119.82 2bun h ALA 71 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bun h ALA 71 Cb 0.80 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2bun h ALA 71 CO 0.05 0.06 0.58 0.28 0.00 0.00 0.00 179.25 180.23 2bun h VAL 72 N 0.22 1.25 -0.04 0.00 2.07 -0.96 0.47 116.25 119.27 2bun h VAL 72 Ca 0.07 -0.52 -0.20 0.00 0.82 0.00 0.00 66.70 66.87 2bun h VAL 72 Cb 0.41 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2bun h VAL 72 CO 0.01 0.26 -0.82 0.00 0.02 0.00 0.00 177.57 177.04 2bun h ALA 73 N 1.32 0.52 -0.42 1.67 0.00 -0.60 0.52 119.26 122.27 2bun h ALA 73 Ca 0.34 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2bun h ALA 73 Cb -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2bun h ALA 73 CO -0.07 0.81 -0.01 1.49 0.00 0.00 0.00 179.25 181.47 2bun h GLU 74 N 0.22 0.68 0.73 0.00 4.22 -0.11 0.56 114.58 120.88 2bun h GLU 74 Ca -0.05 -0.17 -0.04 0.00 0.08 0.00 0.00 59.36 59.19 2bun h GLU 74 Cb 1.42 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.60 2bun h GLU 74 CO 0.14 0.70 -0.35 0.28 -2.18 0.00 0.00 179.01 177.60 2bun h VAL 75 N 0.64 0.17 -0.62 0.32 2.07 -0.67 -2.81 116.25 115.34 2bun h VAL 75 Ca 0.13 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2bun h VAL 75 Cb 0.42 0.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.27 2bun h VAL 75 CO 0.02 0.01 -0.21 0.24 0.02 0.00 0.00 177.57 177.65 2bun h MET 76 N -1.14 -0.05 -0.84 1.57 2.86 0.67 0.11 114.93 118.10 2bun h MET 76 Ca -0.10 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2bun h MET 76 Cb 0.77 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.38 2bun h MET 76 CO 0.16 -0.04 0.55 0.77 1.06 0.00 0.00 176.91 179.41 2bun h SER 77 N -0.06 0.68 -0.32 1.22 0.02 0.07 0.92 113.55 116.08 2bun h SER 77 Ca 0.29 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.14 2bun h SER 77 Cb 0.50 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2bun h SER 77 CO -0.67 0.38 -0.27 0.45 -1.14 0.00 0.00 176.83 175.59 2bun h HIS 78 N 0.74 0.88 0.00 3.45 3.86 -0.74 -3.33 115.15 120.02 2bun h HIS 78 Ca 0.40 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2bun h HIS 78 Cb 0.54 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 2bun h HIS 78 CO -0.00 1.00 -0.74 0.82 0.86 0.00 0.00 177.93 179.87 2bun h ILE 79 N 0.51 0.12 0.00 2.45 2.04 0.04 -3.24 117.51 119.43 2bun h ILE 79 Ca 0.06 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 2bun h ILE 79 Cb 0.83 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2bun h ILE 79 CO 0.07 0.07 -0.01 1.56 0.00 0.00 0.00 178.15 179.83 2bun h GLN 80 N 0.00 0.00 -1.79 2.37 1.08 0.66 -2.57 115.11 114.86 2bun h GLN 80 Ca -0.02 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.88 2bun h GLN 80 Cb 1.09 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.41 2bun h GLN 80 CO 0.01 0.01 0.23 0.54 -0.95 0.00 0.00 178.83 178.67 2bun n ARG 81 N -3.11 1.86 -0.82 1.46 1.74 -1.22 -4.94 116.66 111.63 2bun n ARG 81 Ca 0.01 -1.43 -0.29 0.00 -0.77 0.00 0.00 57.85 55.37 2bun n ARG 81 Cb 0.37 -1.71 0.03 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.98 -4.70 0.00 0.55 2.03 -0.97 -4.90 116.55 109.53 2bun n ASP 82 Ca 0.32 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.80 2bun n ASP 82 Cb 0.61 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.94 0.00 -0.09 -0.67 1.85 -1.26 -4.97 116.66 113.46 2bun n ARG 83 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.74 2bun n ARG 83 Cb 0.44 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.73 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 1.15 -3.78 2.89 1.74 -1.26 -4.85 116.66 112.55 2bun n ARG 84 Ca 0.00 0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 2bun n ARG 84 Cb 0.00 -1.42 -0.13 0.00 -1.02 0.00 0.00 32.46 29.89 2bun n ARG 84 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2bun s HIS 85 N -2.40 2.56 0.00 -1.55 -3.43 -1.26 -2.00 115.29 107.21 2bun s HIS 85 Ca -0.13 -2.81 0.00 0.00 -0.80 0.00 0.00 55.06 51.32 2bun s HIS 85 Cb 0.05 -2.22 0.00 0.00 -1.43 0.00 0.00 32.58 28.99 2bun s HIS 85 CO 0.62 -0.72 0.00 0.45 -2.00 0.00 0.00 174.74 173.09 2bun n SER 86 N 3.01 0.00 0.02 7.38 2.88 -1.26 -1.98 113.62 123.67 2bun n SER 86 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2bun n SER 86 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2bun n SER 86 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bun n ASN 87 N 0.25 -0.40 -2.63 -3.46 4.05 -1.26 -4.30 115.26 107.52 2bun n ASN 87 Ca 0.00 0.28 -0.05 0.00 0.45 0.00 0.00 54.58 55.26 2bun n ASN 87 Cb 0.00 0.61 0.01 0.00 1.23 0.00 0.00 39.78 41.63 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 2bun n VAL 88 N -2.58 -1.78 -3.64 3.44 3.14 -0.84 -4.96 118.33 111.10 2bun n VAL 88 Ca 0.00 0.33 -0.39 0.00 -2.96 0.00 0.00 64.34 61.31 2bun n VAL 88 Cb 0.00 -2.37 -0.10 0.00 -1.06 0.00 0.00 33.84 30.31 2bun n VAL 88 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2bun s GLU 89 N -0.96 2.54 0.17 1.45 0.41 0.50 -4.93 118.70 117.89 2bun s GLU 89 Ca 0.05 -1.46 -0.25 0.00 -0.41 0.00 0.00 54.97 52.90 2bun s GLU 89 Cb -0.01 -3.71 0.05 0.00 -1.78 0.00 0.00 34.13 28.69 2bun s GLU 89 CO 0.12 -0.93 1.57 0.82 -0.49 0.00 0.00 175.26 176.35 2bun h ILE 90 N 6.13 0.10 0.00 -1.63 1.08 -1.87 0.29 117.51 121.61 2bun h ILE 90 Ca -0.22 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2bun h ILE 90 Cb 1.08 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2bun h ILE 90 CO 0.73 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 178.37 2bun n LEU 91 N -5.41 0.00 -3.76 1.44 4.77 -1.26 -3.44 117.00 109.34 2bun n LEU 91 Ca 0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 2bun n LEU 91 Cb 0.35 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.30 2bun n LEU 91 CO -0.01 0.00 -0.24 0.00 -1.33 0.00 0.00 177.39 175.81 2bun s ALA 92 N 0.00 -0.23 -0.17 -1.18 0.00 -1.25 -5.06 121.76 113.87 2bun s ALA 92 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 2bun s ALA 92 Cb 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.77 2bun s ALA 92 CO 0.00 -0.14 0.07 -1.21 0.00 0.00 0.00 175.76 174.48 2bun s GLU 93 N 1.03 0.26 0.13 0.00 2.02 -1.26 -0.74 118.70 120.14 2bun s GLU 93 Ca -0.08 -0.17 0.10 0.00 0.02 0.00 0.00 54.97 54.84 2bun s GLU 93 Cb -0.10 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 2bun s GLU 93 CO -0.05 -0.64 -0.24 -1.83 0.02 0.00 0.00 175.26 172.52 2bun s GLU 94 N 2.05 1.32 -0.18 1.61 -1.05 0.10 -4.94 118.70 117.59 2bun s GLU 94 Ca 0.01 -1.31 -0.27 0.00 -0.15 0.00 0.00 54.97 53.25 2bun s GLU 94 Cb -0.16 -1.70 -0.01 0.00 -0.44 0.00 0.00 34.13 31.82 2bun s GLU 94 CO -0.08 0.39 0.92 -1.54 0.95 0.00 0.00 175.26 175.90 2bun s SER 95 N -2.11 7.04 0.50 0.83 1.04 -1.26 0.26 113.70 120.00 2bun s SER 95 Ca 0.12 1.28 0.02 0.00 0.48 0.00 0.00 55.95 57.85 2bun s SER 95 Cb -0.10 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.55 2bun s SER 95 CO 0.06 -0.49 0.16 2.30 0.98 0.00 0.00 173.24 176.24 2bun n ILE 96 N 4.91 0.00 0.21 -1.02 -5.35 0.90 -4.88 119.36 114.13 2bun n ILE 96 Ca 0.07 -2.21 0.03 0.00 -0.27 0.00 0.00 62.75 60.37 2bun n ILE 96 Cb 0.48 0.25 0.03 0.00 -1.74 0.00 0.00 39.64 38.66 2bun n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bun n ALA 97 N -1.64 2.44 -0.71 -1.28 0.00 -1.26 -3.29 120.51 114.76 2bun n ALA 97 Ca -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2bun n ALA 97 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 0.31 0.00 -0.96 0.00 4.81 -1.26 -3.88 118.16 117.18 2bun n LYS 98 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2bun n LYS 98 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 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 0.00 0.00 -0.07 1.64 3.00 -1.26 -4.93 116.66 115.04 2bun n ARG 99 Ca 0.00 0.34 -0.09 0.00 -0.00 0.00 0.00 57.85 58.10 2bun n ARG 99 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 32.46 28.85 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 0.33 0.00 0.00 -0.14 3.08 -1.99 -3.40 114.38 112.26 2bun h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 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 0.53 -1.19 1.19 -1.07 0.00 0.00 179.97 179.43 2bun n PHE 101 N -4.65 0.00 0.00 3.04 3.01 -1.26 -4.99 117.46 112.61 2bun n PHE 101 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2bun n PHE 101 Cb 0.31 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 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 -2.97 4.37 0.00 -1.26 -4.78 120.51 114.18 2bun n ALA 102 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2bun n ALA 102 Cb 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.13 0.04 0.09 0.00 0.00 -1.26 -4.83 107.32 100.23 2bun s GLY 103 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 2bun s GLY 103 CO 0.00 -0.50 0.60 0.86 0.00 0.00 0.00 173.10 174.06 2bun s TRP 104 N -3.88 3.82 0.12 1.90 -0.00 -1.24 -1.24 118.94 118.42 2bun s TRP 104 Ca 0.09 1.33 0.09 0.00 -0.00 0.00 0.00 56.10 57.61 2bun s TRP 104 Cb 0.02 -2.54 -0.04 0.00 -0.00 0.00 0.00 33.47 30.91 2bun s TRP 104 CO -0.05 0.58 -0.23 -1.01 -0.00 0.00 0.00 176.95 176.24 2bun s HIS 105 N -1.12 1.99 0.01 5.86 3.76 0.11 -4.78 115.29 121.12 2bun s HIS 105 Ca 0.30 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.82 2bun s HIS 105 Cb -0.20 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.41 2bun s HIS 105 CO 0.20 0.28 -0.05 1.41 -0.85 0.00 0.00 174.74 175.73 2bun s MET 106 N -2.08 0.40 0.01 1.40 1.75 -1.26 -2.25 119.30 117.27 2bun s MET 106 Ca 0.11 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.17 2bun s MET 106 Cb -0.09 -0.29 -0.25 0.00 2.84 0.00 0.00 34.83 37.04 2bun s MET 106 CO 0.05 0.07 0.86 1.96 -0.65 0.00 0.00 175.02 177.31 2bun h GLN 107 N 5.41 0.15 0.00 4.11 4.20 -1.93 -3.37 115.11 123.68 2bun h GLN 107 Ca -0.30 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.15 2bun h GLN 107 Cb 1.20 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2bun h GLN 107 CO 0.46 0.96 0.00 1.28 -0.67 0.00 0.00 178.83 180.86 2bun n LEU 108 N -3.34 0.00 0.11 1.46 7.99 -1.26 -1.26 117.00 120.69 2bun n LEU 108 Ca -0.15 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 55.98 2bun n LEU 108 Cb 1.03 0.00 0.24 0.00 -0.11 0.00 0.00 43.42 44.58 2bun n LEU 108 CO 0.48 0.00 0.59 0.77 -1.51 0.00 0.00 177.39 177.72 2bun h SER 109 N 0.00 0.00 -3.64 -1.43 4.64 -2.00 -3.44 113.55 107.68 2bun h SER 109 Ca 0.00 -0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.67 2bun h SER 109 Cb 0.00 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.77 2bun h SER 109 CO 0.00 0.04 -0.84 0.00 -0.87 0.00 0.00 176.83 175.16 2bun s SER 111 N 0.29 5.60 -0.44 0.00 0.01 -1.26 -4.97 113.70 112.93 2bun s SER 111 Ca -0.10 1.00 0.04 0.00 1.31 0.00 0.00 55.95 58.20 2bun s SER 111 Cb -0.14 -1.91 0.62 0.00 0.21 0.00 0.00 66.02 64.81 2bun s SER 111 CO 0.04 -1.17 1.85 -1.84 0.41 0.00 0.00 173.24 172.53 2bun n GLU 112 N -2.80 2.23 0.01 12.44 -0.00 -1.26 -4.68 120.64 126.58 2bun n GLU 112 Ca 0.06 -3.08 0.03 0.00 -0.00 0.00 0.00 57.16 54.16 2bun n GLU 112 Cb 0.57 -2.13 0.11 0.00 -0.00 0.00 0.00 31.44 29.99 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 -1.12 1.20 1.00 -1.84 0.00 -1.26 0.19 120.51 118.68 2bun n ALA 113 Ca 0.56 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 54.09 2bun n ALA 113 Cb 1.48 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 2bun n ALA 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bun n ASP 114 N -1.54 1.04 -0.05 0.00 9.92 -1.26 -4.57 116.55 120.09 2bun n ASP 114 Ca 0.01 -1.02 -0.06 0.00 -0.53 0.00 0.00 54.79 53.19 2bun n ASP 114 Cb 0.05 0.98 -0.02 0.00 -0.64 0.00 0.00 41.12 41.49 2bun n ASP 114 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2bun n MET 115 N -1.45 0.35 -0.99 -1.24 2.81 0.13 -4.99 117.12 111.74 2bun n MET 115 Ca 0.04 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2bun n MET 115 Cb 0.33 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 2bun n MET 115 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2bun n ARG 116 N -3.92 -1.52 0.00 0.03 1.74 0.27 -4.82 116.66 108.43 2bun n ARG 116 Ca -0.09 0.38 0.14 0.00 -0.77 0.00 0.00 57.85 57.50 2bun n ARG 116 Cb 0.34 -4.56 0.51 0.00 -1.02 0.00 0.00 32.46 27.73 2bun n ARG 116 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bun n SER 117 N -0.76 0.53 -0.41 0.55 3.41 -1.26 -0.12 113.62 115.56 2bun n SER 117 Ca 0.00 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 2bun n SER 117 Cb 0.38 -0.03 0.45 0.00 -0.26 0.00 0.00 64.21 64.75 2bun n SER 117 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bun n LEU 118 N -1.05 1.23 0.00 1.04 4.77 -1.26 -4.80 117.00 116.92 2bun n LEU 118 Ca 0.12 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2bun n LEU 118 Cb 0.31 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2bun n LEU 118 CO 0.26 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2bun n GLY 119 N 1.06 0.80 0.10 -0.72 0.00 -1.23 -4.95 105.19 100.24 2bun n GLY 119 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.99 5.85 -1.84 -3.45 115.31 116.75 2bun h LEU 120 Ca 0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2bun h LEU 120 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2bun h LEU 120 CO 0.00 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.29 2bun n ALA 121 N -2.30 0.00 0.38 1.25 0.00 0.83 -2.66 120.51 118.01 2bun n ALA 121 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 2bun n ALA 121 Cb 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 2bun n ALA 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2bun h GLU 122 N 0.00 -1.01 0.00 0.00 4.81 -1.87 -3.49 114.58 113.02 2bun h GLU 122 Ca 0.00 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2bun h GLU 122 Cb 0.00 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2bun h GLU 122 CO 0.00 -0.67 0.24 -1.13 -0.73 0.00 0.00 179.01 176.72 2bun n SER 123 N -5.56 -0.44 -0.44 1.04 3.41 -1.09 -5.01 113.62 105.53 2bun n SER 123 Ca -0.14 -1.16 0.04 0.00 -0.26 0.00 0.00 58.87 57.35 2bun n SER 123 Cb 0.44 0.69 0.11 0.00 -0.26 0.00 0.00 64.21 65.19 2bun n SER 123 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2bun n ARG 124 N -0.26 2.90 -0.38 4.33 0.00 -1.26 -4.81 116.66 117.17 2bun n ARG 124 Ca 0.01 -1.91 0.00 0.00 -0.00 0.00 0.00 57.85 55.94 2bun n ARG 124 Cb 0.18 -1.21 0.00 0.00 -0.00 0.00 0.00 32.46 31.43 2bun n ARG 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57