#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 1.48 0.22 3.23 2.56 -1.26 -5.10 118.70 119.82 2bun s GLU 6 Ca 0.00 -1.73 -0.31 0.00 0.00 0.00 0.00 54.97 52.92 2bun s GLU 6 Cb 0.00 -1.05 -0.15 0.00 2.00 0.00 0.00 34.13 34.93 2bun s GLU 6 CO 0.00 0.04 1.15 0.00 -0.56 0.00 0.00 175.26 175.88 2bun n ALA 7 N -0.52 -0.37 -2.31 6.30 0.00 -1.26 -4.90 120.51 117.45 2bun n ALA 7 Ca -0.06 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2bun n ALA 7 Cb 0.63 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.14 7.21 0.45 0.00 -1.08 -1.26 -4.91 116.67 116.94 2bun s ASP 8 Ca 0.68 1.99 0.31 0.00 -0.52 0.00 0.00 52.55 55.01 2bun s ASP 8 Cb -0.78 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 39.58 2bun s ASP 8 CO 0.54 -0.33 1.93 -0.37 0.52 0.00 0.00 175.17 177.46 2bun h VAL 9 N 4.21 0.00 -4.86 1.11 -1.51 -2.08 -3.48 116.25 109.65 2bun h VAL 9 Ca -0.43 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2bun h VAL 9 Cb 1.21 0.98 -0.06 0.00 -2.13 0.00 0.00 31.29 31.30 2bun h VAL 9 CO 0.76 0.00 -1.19 0.35 -1.23 0.00 0.00 177.57 176.27 2bun n THR 10 N -2.66-12.60 0.11 7.19 -2.24 -1.26 -4.87 114.28 97.94 2bun n THR 10 Ca -0.00 2.87 0.02 0.00 -2.27 0.00 0.00 64.05 64.67 2bun n THR 10 Cb 0.16 -6.07 0.39 0.00 -2.10 0.00 0.00 70.33 62.71 2bun n THR 10 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2bun h MET 11 N 4.26 0.27 0.00 -0.78 2.86 -2.02 -3.44 114.93 116.09 2bun h MET 11 Ca -0.23 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2bun h MET 11 Cb 0.52 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2bun h MET 11 CO 0.00 0.38 0.00 0.25 1.06 0.00 0.00 176.91 178.60 2bun n THR 12 N -4.30 0.00 0.00 2.22 -2.24 -1.26 -4.77 114.28 103.93 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 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 3.87 1.51 3.38 0.00 -1.25 -4.60 105.19 108.09 2bun n GLY 13 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2bun n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bun n SER 14 N 0.00 0.13 -2.52 1.61 3.41 -1.26 -4.41 113.62 110.57 2bun n SER 14 Ca 0.00 0.09 -0.34 0.00 -0.26 0.00 0.00 58.87 58.37 2bun n SER 14 Cb 0.00 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bun n ASP 15 N -2.96 7.33 -4.52 4.04 5.75 -1.26 -4.67 116.55 120.26 2bun n ASP 15 Ca 0.00 -3.64 -0.26 0.00 -0.01 0.00 0.00 54.79 50.88 2bun n ASP 15 Cb 0.18 -1.06 -0.10 0.00 -1.03 0.00 0.00 41.12 39.11 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 -3.45 2.79 -0.03 -2.12 2.01 -1.21 -3.79 118.68 112.87 2bun s LEU 16 Ca 0.55 -0.71 -0.16 0.00 0.01 0.00 0.00 54.13 53.83 2bun s LEU 16 Cb 0.43 -1.47 0.03 0.00 0.01 0.00 0.00 46.19 45.20 2bun s LEU 16 CO -0.19 0.10 0.34 -0.69 1.01 0.00 0.00 176.35 176.91 2bun s VAL 17 N -1.79 0.05 -0.18 -1.59 1.01 0.17 -0.03 120.40 118.04 2bun s VAL 17 Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2bun s VAL 17 Cb -0.08 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.72 2bun s VAL 17 CO 0.14 -0.21 -0.06 -0.94 0.00 0.00 0.00 175.10 174.03 2bun s SER 18 N -1.13 3.10 -0.28 3.32 1.04 0.11 -0.15 113.70 119.71 2bun s SER 18 Ca -0.12 -0.80 -0.19 0.00 0.48 0.00 0.00 55.95 55.33 2bun s SER 18 Cb -0.05 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 65.07 2bun s SER 18 CO 0.04 -0.19 0.57 0.00 0.98 0.00 0.00 173.24 174.64 2bun s TYR 21 N 1.35 2.10 -0.02 0.00 -0.85 -0.61 -3.06 117.35 116.26 2bun s TYR 21 Ca 0.00 -0.90 0.06 0.00 -0.52 0.00 0.00 57.07 55.71 2bun s TYR 21 Cb -0.17 -1.53 -0.02 0.00 0.38 0.00 0.00 41.96 40.62 2bun s TYR 21 CO -0.03 0.18 -0.20 0.50 -1.52 0.00 0.00 175.55 174.48 2bun s ARG 22 N -3.80 2.26 -0.11 -3.49 3.52 0.48 -3.26 118.95 114.54 2bun s ARG 22 Ca 0.25 -0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 2bun s ARG 22 Cb 0.06 -2.21 0.03 0.00 -1.56 0.00 0.00 34.95 31.28 2bun s ARG 22 CO 0.13 0.58 0.29 -1.12 -0.81 0.00 0.00 175.30 174.37 2bun s SER 23 N -0.83 -0.30 -0.94 -2.12 0.01 0.18 -0.52 113.70 109.18 2bun s SER 23 Ca 0.11 0.59 -0.01 0.00 1.31 0.00 0.00 55.95 57.95 2bun s SER 23 Cb -0.10 0.58 0.33 0.00 0.21 0.00 0.00 66.02 67.04 2bun s SER 23 CO 0.01 -0.11 1.90 0.18 0.41 0.00 0.00 173.24 175.63 2bun n LEU 24 N 3.08 7.38 0.00 2.44 7.99 -1.26 0.36 117.00 136.99 2bun n LEU 24 Ca -0.14 -5.16 0.00 0.00 -0.01 0.00 0.00 56.01 50.70 2bun n LEU 24 Cb 0.57 -1.11 0.00 0.00 -0.11 0.00 0.00 43.42 42.77 2bun n LEU 24 CO 0.16 1.93 0.00 0.00 -1.51 0.00 0.00 177.39 177.98 2bun n ALA 25 N -0.27 0.00 -1.89 -1.18 0.00 -0.85 -4.41 120.51 111.90 2bun n ALA 25 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 2bun n ALA 25 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 3.64 -1.50 0.00 0.00 -1.19 -4.77 121.76 117.94 2bun s ALA 26 Ca 0.00 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.15 2bun s ALA 26 Cb 0.00 -3.75 0.29 0.00 0.00 0.00 0.00 23.12 19.66 2bun s ALA 26 CO 0.00 -1.33 0.99 -0.35 0.00 0.00 0.00 175.76 175.07 2bun n PRO 27 N 6.66 0.09 -0.05 0.00 -0.04 -1.26 -1.78 135.00 138.61 2bun n PRO 27 Ca 0.17 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2bun n PRO 27 Cb 0.41 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.62 2bun n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bun n ASP 28 N -1.25 2.66 -4.77 3.54 8.00 -1.26 -4.96 116.55 118.50 2bun n ASP 28 Ca 0.03 -1.87 -0.36 0.00 0.71 0.00 0.00 54.79 53.30 2bun n ASP 28 Cb 0.04 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2bun n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bun s LEU 29 N -1.83 3.96 0.14 0.64 1.43 -0.73 -5.00 118.68 117.28 2bun s LEU 29 Ca 0.33 2.23 -0.25 0.00 -1.03 0.00 0.00 54.13 55.42 2bun s LEU 29 Cb 0.21 -4.32 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 2bun s LEU 29 CO 0.31 -0.93 0.75 0.42 0.23 0.00 0.00 176.35 177.12 2bun s THR 30 N -1.63 4.46 0.24 5.49 -4.23 -1.26 -4.97 115.64 113.75 2bun s THR 30 Ca 0.65 1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 62.75 2bun s THR 30 Cb -0.26 -4.11 0.20 0.00 1.34 0.00 0.00 72.50 69.67 2bun s THR 30 CO 0.32 0.51 1.80 0.25 -0.54 0.00 0.00 174.62 176.95 2bun h LEU 31 N 4.54 0.62 0.00 4.79 5.85 -2.00 -0.09 115.31 129.02 2bun h LEU 31 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2bun h LEU 31 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2bun h LEU 31 CO 0.66 0.35 0.00 -1.14 -0.34 0.00 0.00 178.44 177.98 2bun n ARG 32 N -4.77 0.16 0.06 1.25 0.00 -1.26 -0.36 116.66 111.73 2bun n ARG 32 Ca 0.13 0.07 -0.17 0.00 -0.00 0.00 0.00 57.85 57.88 2bun n ARG 32 Cb 0.28 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.17 2bun n ARG 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2bun h ASP 33 N 0.00 0.70 -0.31 6.15 5.19 -1.42 0.13 116.42 126.86 2bun h ASP 33 Ca 0.00 -0.57 -0.12 0.00 -0.62 0.00 0.00 57.03 55.72 2bun h ASP 33 Cb 0.33 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 2bun h ASP 33 CO 0.00 1.37 -0.28 -0.07 -3.12 0.00 0.00 179.24 177.14 2bun h LEU 34 N 0.30 0.78 -0.73 1.55 -0.00 -0.30 -0.09 115.31 116.82 2bun h LEU 34 Ca -0.10 -0.46 -0.12 0.00 -0.00 0.00 0.00 57.88 57.20 2bun h LEU 34 Cb 1.64 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 42.07 2bun h LEU 34 CO 0.18 1.08 -0.29 -0.07 -0.00 0.00 0.00 178.44 179.34 2bun h LEU 35 N 0.50 0.66 -0.96 1.67 -0.00 -1.09 -1.67 115.31 114.42 2bun h LEU 35 Ca 0.05 -0.25 -0.08 0.00 -0.00 0.00 0.00 57.88 57.60 2bun h LEU 35 Cb 0.84 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 2bun h LEU 35 CO 0.07 0.92 -0.13 -0.78 -0.00 0.00 0.00 178.44 178.52 2bun h ASP 36 N 0.55 0.60 0.17 -0.43 1.82 -0.72 -2.36 116.42 116.05 2bun h ASP 36 Ca 0.07 -0.17 0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2bun h ASP 36 Cb 0.78 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.60 2bun h ASP 36 CO 0.06 0.75 -0.30 0.40 -1.61 0.00 0.00 179.24 178.55 2bun h ILE 37 N 0.56 0.36 0.00 2.25 2.04 -0.13 0.47 117.51 123.06 2bun h ILE 37 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2bun h ILE 37 Cb 0.55 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2bun h ILE 37 CO 0.03 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.73 2bun n VAL 38 N -5.41 0.90 -0.06 1.67 3.14 -0.79 -0.68 118.33 117.10 2bun n VAL 38 Ca -0.07 0.38 -0.04 0.00 -2.96 0.00 0.00 64.34 61.65 2bun n VAL 38 Cb 0.31 -1.33 -0.01 0.00 -1.06 0.00 0.00 33.84 31.75 2bun n VAL 38 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2bun h GLU 39 N 0.00 0.00 -0.34 1.45 4.57 -0.78 -3.41 114.58 116.06 2bun h GLU 39 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 2bun h GLU 39 Cb 0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2bun h GLU 39 CO 0.00 0.00 -0.40 1.15 -1.18 0.00 0.00 179.01 178.58 2bun h THR 40 N -0.86 1.28 -0.22 0.32 2.02 0.02 -3.28 112.91 112.18 2bun h THR 40 Ca 0.00 -1.57 0.04 0.00 0.77 0.00 0.00 66.41 65.65 2bun h THR 40 Cb 0.40 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 2bun h THR 40 CO 0.00 0.52 -0.04 -1.28 0.37 0.00 0.00 175.52 175.09 2bun h SER 41 N 0.69 -0.16 -0.66 4.18 0.87 -1.08 -2.17 113.55 115.21 2bun h SER 41 Ca 0.05 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2bun h SER 41 Cb 0.97 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 2bun h SER 41 CO 0.09 -0.05 0.32 1.56 -0.53 0.00 0.00 176.83 178.22 2bun h GLN 42 N 0.02 0.96 -0.80 2.24 4.20 -1.77 -0.41 115.11 119.55 2bun h GLN 42 Ca 0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2bun h GLN 42 Cb 0.15 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2bun h GLN 42 CO -0.21 0.76 0.45 0.00 -0.67 0.00 0.00 178.83 179.15 2bun h ALA 43 N 1.15 1.02 0.20 3.87 0.00 -1.46 0.54 119.26 124.57 2bun h ALA 43 Ca 0.23 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 2bun h ALA 43 Cb 0.12 -0.32 0.03 0.00 0.00 0.00 0.00 17.79 17.62 2bun h ALA 43 CO -0.03 0.52 -1.38 1.25 0.00 0.00 0.00 179.25 179.61 2bun h HIS 44 N 1.10 0.91 -0.27 0.00 -0.00 -1.34 -3.03 115.15 112.52 2bun h HIS 44 Ca 0.28 -0.64 -0.01 0.00 -0.00 0.00 0.00 60.37 60.00 2bun h HIS 44 Cb 0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2bun h HIS 44 CO 0.00 1.49 0.13 -0.91 -0.00 0.00 0.00 177.93 178.64 2bun h ASN 45 N 0.17 0.35 -0.82 3.26 2.35 -0.53 0.37 115.58 120.73 2bun h ASN 45 Ca -0.22 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 2bun h ASN 45 Cb 2.07 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 40.31 2bun h ASN 45 CO 0.26 0.38 0.42 0.00 -1.65 0.00 0.00 177.43 176.83 2bun h ALA 46 N 0.99 1.18 0.06 -0.83 0.00 -0.07 0.50 119.26 121.09 2bun h ALA 46 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bun h ALA 46 Cb 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2bun h ALA 46 CO -0.01 0.63 -0.03 -0.09 0.00 0.00 0.00 179.25 179.75 2bun h ARG 47 N 1.16 -0.08 0.00 0.00 1.12 -1.34 -3.04 114.38 112.20 2bun h ARG 47 Ca 0.29 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.16 2bun h ARG 47 Cb 0.08 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 2bun h ARG 47 CO -0.04 0.34 0.00 0.00 -3.11 0.00 0.00 179.97 177.16 2bun n ALA 48 N -2.37 2.51 -2.24 2.80 0.00 0.13 -4.86 120.51 116.48 2bun n ALA 48 Ca -0.08 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 2bun n ALA 48 Cb 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.16 -0.86 -3.52 0.00 6.02 0.86 -4.72 117.38 114.00 2bun n GLN 49 Ca 0.17 0.33 -0.38 0.00 -0.01 0.00 0.00 57.00 57.12 2bun n GLN 49 Cb 0.17 -4.15 -0.06 0.00 1.02 0.00 0.00 30.24 27.22 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 -2.18 4.45 0.24 1.08 1.02 0.14 -4.73 118.68 118.70 2bun s LEU 50 Ca 0.03 0.91 0.11 0.00 0.02 0.00 0.00 54.13 55.19 2bun s LEU 50 Cb -0.01 -2.54 -0.05 0.00 0.02 0.00 0.00 46.19 43.61 2bun s LEU 50 CO 0.03 0.31 -0.19 0.42 0.02 0.00 0.00 176.35 176.94 2bun s THR 51 N -0.95 2.26 0.18 5.49 -4.23 0.12 -4.06 115.64 114.44 2bun s THR 51 Ca 0.23 -2.28 -0.22 0.00 -1.18 0.00 0.00 61.69 58.24 2bun s THR 51 Cb -0.16 -2.19 0.08 0.00 1.34 0.00 0.00 72.50 71.57 2bun s THR 51 CO 0.12 -0.39 1.03 -0.83 -0.54 0.00 0.00 174.62 174.01 2bun s GLY 52 N -3.28 0.07 -0.05 3.99 0.00 -0.70 0.86 107.32 108.21 2bun s GLY 52 Ca 0.26 -0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.41 2bun s GLY 52 CO 0.12 2.08 0.91 0.00 0.00 0.00 0.00 173.10 176.21 2bun s ALA 53 N -2.30 -1.85 -0.03 3.20 0.00 -1.08 0.17 121.76 119.86 2bun s ALA 53 Ca 0.21 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 2bun s ALA 53 Cb -0.02 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2bun s ALA 53 CO 0.05 -0.59 0.13 -0.48 0.00 0.00 0.00 175.76 174.87 2bun s LEU 54 N -2.11 1.54 -0.25 0.00 0.05 -0.41 -2.54 118.68 114.96 2bun s LEU 54 Ca 0.03 0.05 0.03 0.00 0.05 0.00 0.00 54.13 54.29 2bun s LEU 54 Cb -0.01 0.53 0.06 0.00 -2.05 0.00 0.00 46.19 44.72 2bun s LEU 54 CO -0.06 -0.19 -0.11 -0.36 -0.55 0.00 0.00 176.35 175.09 2bun s PHE 55 N -0.57 3.12 -0.47 3.48 0.08 0.95 -1.12 117.98 123.45 2bun s PHE 55 Ca -0.07 -2.21 -0.16 0.00 0.12 0.00 0.00 56.93 54.61 2bun s PHE 55 Cb -0.04 -1.88 0.06 0.00 -0.57 0.00 0.00 43.02 40.59 2bun s PHE 55 CO 0.01 -0.86 0.43 -0.47 -0.10 0.00 0.00 175.22 174.22 2bun s TYR 56 N 1.15 3.21 -0.49 0.36 6.14 -1.26 -0.78 117.35 125.68 2bun s TYR 56 Ca -0.08 -0.81 0.01 0.00 0.64 0.00 0.00 57.07 56.84 2bun s TYR 56 Cb -0.19 -3.17 0.13 0.00 0.42 0.00 0.00 41.96 39.14 2bun s TYR 56 CO -0.06 -0.81 0.25 -1.12 0.64 0.00 0.00 175.55 174.45 2bun s SER 57 N 2.50 4.77 0.00 4.32 0.01 -0.03 -4.82 113.70 120.45 2bun s SER 57 Ca 0.06 -2.64 0.00 0.00 1.31 0.00 0.00 55.95 54.68 2bun s SER 57 Cb -0.23 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2bun s SER 57 CO 0.08 -0.34 0.00 1.67 0.41 0.00 0.00 173.24 175.06 2bun n GLN 58 N 3.67 0.00 0.00 12.44 7.27 -1.26 -1.73 117.38 137.76 2bun n GLN 58 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2bun n GLN 58 Cb 0.37 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.02 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bun n GLY 59 N 0.00 0.00 3.61 1.69 0.00 -1.26 -5.00 105.19 104.22 2bun n GLY 59 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.43 3.87 -0.43 1.61 -7.23 -0.71 -2.01 120.40 114.07 2bun s VAL 60 Ca 0.00 0.90 -0.16 0.00 -1.81 0.00 0.00 61.98 60.92 2bun s VAL 60 Cb 0.00 -4.10 0.03 0.00 0.56 0.00 0.00 36.38 32.87 2bun s VAL 60 CO 0.00 -0.66 0.35 0.12 -0.31 0.00 0.00 175.10 174.60 2bun s PHE 61 N 5.47 3.23 -0.19 2.82 5.36 0.16 -0.85 117.98 133.96 2bun s PHE 61 Ca 0.63 -0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 55.94 2bun s PHE 61 Cb -0.16 -2.79 -0.01 0.00 -0.34 0.00 0.00 43.02 39.73 2bun s PHE 61 CO 0.31 -0.66 -0.08 0.12 -1.46 0.00 0.00 175.22 173.45 2bun s PHE 62 N 1.75 2.91 -0.01 10.12 5.36 0.04 -0.64 117.98 137.51 2bun s PHE 62 Ca 0.06 -0.94 0.01 0.00 -0.96 0.00 0.00 56.93 55.09 2bun s PHE 62 Cb -0.20 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2bun s PHE 62 CO 0.10 -0.49 -0.01 -1.14 -1.46 0.00 0.00 175.22 172.21 2bun s GLN 63 N 1.19 0.16 0.13 10.12 -0.44 -1.20 -0.03 119.66 129.57 2bun s GLN 63 Ca 0.02 -0.03 -0.04 0.00 -2.50 0.00 0.00 55.36 52.81 2bun s GLN 63 Cb -0.14 -0.20 -0.03 0.00 -1.64 0.00 0.00 33.01 31.00 2bun s GLN 63 CO -0.03 0.00 0.12 1.67 0.50 0.00 0.00 175.29 177.55 2bun s TRP 64 N 0.18 0.64 0.00 1.67 -2.14 -1.05 -1.58 118.94 116.65 2bun s TRP 64 Ca -0.01 -1.03 -0.09 0.00 2.66 0.00 0.00 56.10 57.62 2bun s TRP 64 Cb -0.03 -0.32 0.01 0.00 -3.10 0.00 0.00 33.47 30.02 2bun s TRP 64 CO -0.01 -0.56 0.17 -0.48 -2.66 0.00 0.00 176.95 173.42 2bun s LEU 65 N -3.00 1.42 -0.22 -4.66 2.34 -0.96 -2.64 118.68 110.97 2bun s LEU 65 Ca 0.18 -0.17 -0.07 0.00 0.06 0.00 0.00 54.13 54.13 2bun s LEU 65 Cb 0.06 0.79 -0.03 0.00 -0.56 0.00 0.00 46.19 46.45 2bun s LEU 65 CO -0.01 -0.40 0.07 -1.61 -1.06 0.00 0.00 176.35 173.34 2bun s GLU 66 N -1.46 3.78 0.17 1.48 2.02 0.25 -2.47 118.70 122.48 2bun s GLU 66 Ca -0.14 -0.43 -0.23 0.00 0.02 0.00 0.00 54.97 54.19 2bun s GLU 66 Cb -0.07 -3.27 0.07 0.00 0.10 0.00 0.00 34.13 30.96 2bun s GLU 66 CO 0.02 0.00 1.01 0.20 0.02 0.00 0.00 175.26 176.51 2bun s GLY 67 N 1.10 -0.01 0.06 -1.39 0.00 0.79 0.16 107.32 108.03 2bun s GLY 67 Ca 0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 44.72 44.30 2bun s GLY 67 CO 0.03 1.41 1.38 -1.58 0.00 0.00 0.00 173.10 174.34 2bun s HIS 68 N -2.56 3.07 0.11 1.90 2.46 -1.25 0.46 115.29 119.48 2bun s HIS 68 Ca 0.18 0.91 -0.08 0.00 0.47 0.00 0.00 55.06 56.54 2bun s HIS 68 Cb -0.02 -3.66 0.12 0.00 -0.13 0.00 0.00 32.58 28.89 2bun s HIS 68 CO 0.04 -2.35 0.70 -2.30 -2.47 0.00 0.00 174.74 168.36 2bun n PRO 69 N 4.59 -0.10 0.16 2.88 -0.01 -1.25 0.20 135.00 141.47 2bun n PRO 69 Ca 0.12 0.69 0.02 0.00 -0.01 0.00 0.00 63.50 64.32 2bun n PRO 69 Cb 0.43 -1.03 0.24 0.00 -0.01 0.00 0.00 33.50 33.13 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 0.64 0.97 -0.21 3.55 0.00 -1.93 0.86 119.26 123.14 2bun h ALA 70 Ca 0.16 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2bun h ALA 70 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bun h ALA 70 CO -0.45 0.64 -0.54 0.00 0.00 0.00 0.00 179.25 178.90 2bun h ALA 71 N 1.49 0.67 -0.30 0.00 0.00 -0.62 0.25 119.26 120.74 2bun h ALA 71 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2bun h ALA 71 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2bun h ALA 71 CO 0.07 0.69 0.02 0.28 0.00 0.00 0.00 179.25 180.30 2bun h VAL 72 N 0.47 1.25 0.00 0.00 2.07 -0.90 -1.69 116.25 117.46 2bun h VAL 72 Ca 0.01 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 2bun h VAL 72 Cb 1.09 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2bun h VAL 72 CO 0.11 0.29 -0.46 0.00 0.02 0.00 0.00 177.57 177.52 2bun h ALA 73 N 0.85 1.22 -0.17 1.67 0.00 -0.61 0.36 119.26 122.58 2bun h ALA 73 Ca 0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2bun h ALA 73 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bun h ALA 73 CO 0.01 0.58 -0.31 1.49 0.00 0.00 0.00 179.25 181.02 2bun h GLU 74 N 0.00 0.34 0.11 0.00 4.22 -0.23 0.49 114.58 119.50 2bun h GLU 74 Ca -0.00 -0.13 -0.28 0.00 0.08 0.00 0.00 59.36 59.02 2bun h GLU 74 Cb 0.83 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2bun h GLU 74 CO 0.06 0.61 -1.38 -0.24 -2.18 0.00 0.00 179.01 175.88 2bun h VAL 75 N 0.29 1.32 -0.27 0.32 3.04 -0.63 -3.15 116.25 117.17 2bun h VAL 75 Ca 0.04 -2.95 0.06 0.00 -1.01 0.00 0.00 66.70 62.84 2bun h VAL 75 Cb 0.69 2.82 -0.06 0.00 -2.01 0.00 0.00 31.29 32.73 2bun h VAL 75 CO 0.05 0.85 -0.14 0.24 -1.01 0.00 0.00 177.57 177.56 2bun h MET 76 N 0.06 -0.10 -0.74 4.17 2.86 0.37 0.50 114.93 122.04 2bun h MET 76 Ca -0.18 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2bun h MET 76 Cb 1.98 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 33.59 2bun h MET 76 CO 0.17 -0.07 0.37 0.66 1.06 0.00 0.00 176.91 179.11 2bun h SER 77 N -0.11 0.48 0.16 1.22 4.64 -0.15 0.56 113.55 120.35 2bun h SER 77 Ca 0.14 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2bun h SER 77 Cb 0.33 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2bun h SER 77 CO -0.34 0.26 -0.07 0.45 -0.87 0.00 0.00 176.83 176.26 2bun h HIS 78 N 0.62 -0.19 -0.15 4.77 3.86 -1.32 -3.30 115.15 119.43 2bun h HIS 78 Ca 0.37 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2bun h HIS 78 Cb 0.42 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2bun h HIS 78 CO -0.10 0.14 0.09 0.82 0.86 0.00 0.00 177.93 179.73 2bun h ILE 79 N -0.54 1.02 -0.02 2.45 2.04 0.73 -2.96 117.51 120.23 2bun h ILE 79 Ca -0.02 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2bun h ILE 79 Cb 0.42 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2bun h ILE 79 CO 0.04 0.03 0.05 1.56 0.00 0.00 0.00 178.15 179.83 2bun h GLN 80 N 0.18 0.00 -0.51 2.37 1.08 -0.03 0.70 115.11 118.89 2bun h GLN 80 Ca 0.06 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 2bun h GLN 80 Cb -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2bun h GLN 80 CO -0.03 0.00 0.14 0.00 -0.95 0.00 0.00 178.83 178.00 2bun h ARG 81 N 0.00 0.77 -3.06 1.46 3.08 -1.60 -3.49 114.38 111.55 2bun h ARG 81 Ca 0.01 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.95 2bun h ARG 81 Cb 0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2bun h ARG 81 CO -0.00 0.68 -0.83 -3.47 -1.07 0.00 0.00 179.97 175.28 2bun n ASP 82 N -4.30 -6.93 0.00 7.04 -0.08 0.24 -5.05 116.55 107.47 2bun n ASP 82 Ca 0.04 1.51 0.00 0.00 -1.51 0.00 0.00 54.79 54.83 2bun n ASP 82 Cb 0.21 -4.03 0.00 0.00 2.34 0.00 0.00 41.12 39.63 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2bun n ARG 83 N -2.60 0.00 -0.74 -0.67 1.85 -1.26 -4.96 116.66 108.28 2bun n ARG 83 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.89 2bun n ARG 83 Cb 0.42 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.91 2bun n ARG 83 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2bun n ARG 84 N 0.00 0.61 -0.03 2.89 1.74 -1.26 -4.95 116.66 115.65 2bun n ARG 84 Ca 0.00 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 2bun n ARG 84 Cb 0.00 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 2bun n ARG 84 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2bun n HIS 85 N -0.38 -0.00 0.00 -1.55 -0.00 -1.26 -4.82 115.22 107.21 2bun n HIS 85 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2bun n HIS 85 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.81 2bun n HIS 85 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2bun n SER 86 N -0.05 0.49 0.09 0.41 2.88 -1.26 -3.18 113.62 113.00 2bun n SER 86 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2bun n SER 86 Cb 0.00 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 2bun n SER 86 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2bun n ASN 87 N -1.00 -1.48 -3.25 -3.46 5.03 -1.26 -4.84 115.26 105.00 2bun n ASN 87 Ca 0.00 0.35 -0.19 0.00 0.87 0.00 0.00 54.58 55.61 2bun n ASN 87 Cb 0.00 1.63 0.02 0.00 -1.02 0.00 0.00 39.78 40.41 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 2bun n VAL 88 N -2.90 -5.02 -3.78 2.41 3.14 -1.24 -4.91 118.33 106.04 2bun n VAL 88 Ca 0.00 0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 61.51 2bun n VAL 88 Cb 0.00 -4.18 -0.13 0.00 -1.06 0.00 0.00 33.84 28.47 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 -1.92 3.00 0.00 1.45 -6.30 0.33 -4.83 118.70 110.43 2bun s GLU 89 Ca 0.21 -0.92 0.00 0.00 -2.50 0.00 0.00 54.97 51.76 2bun s GLU 89 Cb -0.03 -3.35 0.00 0.00 0.00 0.00 0.00 34.13 30.75 2bun s GLU 89 CO 0.57 -0.47 0.76 -0.89 0.02 0.00 0.00 175.26 175.25 2bun n ILE 90 N 4.84 0.00 0.00 -3.70 2.08 -1.26 -0.39 119.36 120.93 2bun n ILE 90 Ca -0.14 1.26 0.00 0.00 0.56 0.00 0.00 62.75 64.43 2bun n ILE 90 Cb 0.47 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 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 -1.62 0.00 -3.92 1.39 4.77 -1.26 -3.73 117.00 112.64 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 -0.44 0.00 -1.33 0.00 0.00 177.39 175.62 2bun s ALA 92 N 0.00 1.35 -0.17 -1.18 0.00 -1.17 -5.05 121.76 115.53 2bun s ALA 92 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 2bun s ALA 92 Cb 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.27 2bun s ALA 92 CO 0.00 -0.39 0.05 -1.21 0.00 0.00 0.00 175.76 174.21 2bun s GLU 93 N 1.65 0.41 0.04 0.00 2.02 -1.26 0.11 118.70 121.68 2bun s GLU 93 Ca 0.04 -0.24 0.08 0.00 0.02 0.00 0.00 54.97 54.87 2bun s GLU 93 Cb -0.13 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 2bun s GLU 93 CO -0.08 -0.62 -0.22 -1.83 0.02 0.00 0.00 175.26 172.53 2bun s GLU 94 N 1.98 1.49 -0.21 1.61 -1.05 -0.51 -4.96 118.70 117.04 2bun s GLU 94 Ca 0.01 -0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 2bun s GLU 94 Cb -0.16 -1.61 0.01 0.00 -0.44 0.00 0.00 34.13 31.92 2bun s GLU 94 CO -0.08 0.41 1.03 -1.12 0.95 0.00 0.00 175.26 176.45 2bun s SER 95 N -1.18 7.11 0.50 0.83 0.01 -1.26 0.04 113.70 119.76 2bun s SER 95 Ca 0.08 1.39 0.04 0.00 1.31 0.00 0.00 55.95 58.77 2bun s SER 95 Cb -0.09 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2bun s SER 95 CO 0.02 -0.64 0.17 0.27 0.41 0.00 0.00 173.24 173.47 2bun s ILE 96 N 3.03 1.53 -1.45 1.44 -4.36 0.96 -4.88 121.20 117.47 2bun s ILE 96 Ca 0.44 -1.78 0.16 0.00 -0.26 0.00 0.00 60.65 59.22 2bun s ILE 96 Cb -0.15 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 2bun s ILE 96 CO 0.08 0.00 0.85 0.00 0.24 0.00 0.00 174.94 176.11 2bun n ALA 97 N -1.42 3.26 -0.72 2.27 0.00 -1.26 -3.32 120.51 119.32 2bun n ALA 97 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2bun n ALA 97 Cb 0.66 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.21 0.00 -0.90 0.00 0.00 -1.26 -3.96 118.16 111.83 2bun n LYS 98 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.38 2bun n LYS 98 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 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 0.00 0.00 -0.07 1.64 3.00 -1.26 -4.96 116.66 115.02 2bun n ARG 99 Ca 0.00 0.37 -0.07 0.00 -0.00 0.00 0.00 57.85 58.15 2bun n ARG 99 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 32.46 29.19 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bun h ARG 100 N 0.00 0.00 0.00 -0.14 3.08 -2.00 -3.41 114.38 111.92 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2bun h ARG 100 CO 0.00 0.28 -1.80 1.19 -1.07 0.00 0.00 179.97 178.56 2bun n PHE 101 N -4.64 0.00 0.00 3.04 3.01 -1.26 -4.97 117.46 112.64 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 0.27 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 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 -2.11 0.00 -3.05 4.37 0.00 -1.26 -4.78 120.51 113.67 2bun n ALA 102 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2bun n ALA 102 Cb 0.51 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.16 0.06 0.09 0.00 0.00 -1.26 -4.83 107.32 100.22 2bun s GLY 103 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 44.72 44.01 2bun s GLY 103 CO 0.00 -0.46 1.03 0.86 0.00 0.00 0.00 173.10 174.53 2bun s TRP 104 N -3.89 3.67 0.27 1.90 -0.00 -1.24 -1.72 118.94 117.92 2bun s TRP 104 Ca 0.10 1.66 0.12 0.00 -0.00 0.00 0.00 56.10 57.97 2bun s TRP 104 Cb 0.01 -3.17 -0.05 0.00 -0.00 0.00 0.00 33.47 30.26 2bun s TRP 104 CO -0.04 -0.25 -0.17 -1.01 -0.00 0.00 0.00 176.95 175.48 2bun s HIS 105 N 0.37 2.36 -0.05 5.86 3.76 0.13 -4.78 115.29 122.94 2bun s HIS 105 Ca 0.51 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 2bun s HIS 105 Cb -0.25 -1.04 0.03 0.00 1.11 0.00 0.00 32.58 32.42 2bun s HIS 105 CO 0.30 0.68 -0.02 1.41 -0.85 0.00 0.00 174.74 176.26 2bun s MET 106 N -3.43 0.64 0.00 1.40 1.75 -1.26 -1.29 119.30 117.11 2bun s MET 106 Ca 0.29 0.02 -0.24 0.00 -1.25 0.00 0.00 55.69 54.51 2bun s MET 106 Cb -0.06 -0.84 -0.15 0.00 2.84 0.00 0.00 34.83 36.62 2bun s MET 106 CO 0.15 -0.19 1.13 0.37 -0.65 0.00 0.00 175.02 175.83 2bun h GLN 107 N 7.71 -0.53 -3.94 4.11 5.75 -1.53 -3.22 115.11 123.45 2bun h GLN 107 Ca -0.30 0.04 -0.76 0.00 -0.15 0.00 0.00 58.65 57.47 2bun h GLN 107 Cb 1.14 0.12 -0.19 0.00 1.07 0.00 0.00 27.48 29.61 2bun h GLN 107 CO 0.38 -0.22 1.42 -0.11 -2.65 0.00 0.00 178.83 177.64 2bun n LEU 108 N -5.19 5.91 0.00 -2.39 -0.00 -1.26 -4.40 117.00 109.67 2bun n LEU 108 Ca -0.10 -4.69 0.11 0.00 -0.00 0.00 0.00 56.01 51.33 2bun n LEU 108 Cb 0.29 -1.51 -0.13 0.00 -0.00 0.00 0.00 43.42 42.06 2bun n LEU 108 CO 0.29 1.15 -0.49 -0.24 -0.00 0.00 0.00 177.39 178.09 2bun n SER 109 N 4.12 0.32 -3.72 1.96 2.88 -1.22 -4.94 113.62 113.03 2bun n SER 109 Ca 0.35 -0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 2bun n SER 109 Cb 0.39 1.59 -0.08 0.00 -0.75 0.00 0.00 64.21 65.36 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bun s SER 111 N -1.62 4.57 -0.73 0.00 0.01 -1.26 -4.93 113.70 109.74 2bun s SER 111 Ca -0.10 1.15 -0.26 0.00 1.31 0.00 0.00 55.95 58.05 2bun s SER 111 Cb -0.03 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 2bun s SER 111 CO 0.02 -1.90 1.85 -1.83 0.41 0.00 0.00 173.24 171.79 2bun s GLU 112 N -5.27 2.66 -0.05 12.44 4.04 -1.26 -4.76 118.70 126.49 2bun s GLU 112 Ca 0.61 0.22 0.00 0.00 0.04 0.00 0.00 54.97 55.84 2bun s GLU 112 Cb -0.13 -4.63 -0.26 0.00 0.02 0.00 0.00 34.13 29.13 2bun s GLU 112 CO 0.53 -2.90 0.62 0.00 -1.84 0.00 0.00 175.26 171.67 2bun h ALA 113 N 13.36 0.49 0.00 -0.84 0.00 -1.99 -3.00 119.26 127.28 2bun h ALA 113 Ca -0.13 -1.32 -0.30 0.00 0.00 0.00 0.00 54.91 53.16 2bun h ALA 113 Cb 1.10 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2bun h ALA 113 CO 1.23 1.34 -1.79 -0.40 0.00 0.00 0.00 179.25 179.63 2bun n ASP 114 N -3.34 0.77 0.06 0.00 5.75 -1.26 -4.05 116.55 114.47 2bun n ASP 114 Ca -0.22 0.37 -0.10 0.00 -0.01 0.00 0.00 54.79 54.82 2bun n ASP 114 Cb 1.05 0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 41.13 2bun n ASP 114 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 2bun h MET 115 N 0.00 -0.22 -4.22 0.11 2.86 -1.95 -3.47 114.93 108.04 2bun h MET 115 Ca -0.32 0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.01 2bun h MET 115 Cb 2.04 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.73 2bun h MET 115 CO 0.07 0.19 -0.46 2.89 1.06 0.00 0.00 176.91 180.66 2bun n ARG 116 N -4.93 -2.93 0.00 1.72 1.85 -1.13 -4.84 116.66 106.40 2bun n ARG 116 Ca -0.07 0.69 0.10 0.00 -1.00 0.00 0.00 57.85 57.56 2bun n ARG 116 Cb 0.26 -5.38 0.04 0.00 -1.05 0.00 0.00 32.46 26.33 2bun n ARG 116 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2bun n SER 117 N -2.09 2.22 0.00 2.89 3.41 -1.26 -3.33 113.62 115.45 2bun n SER 117 Ca -0.12 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 2bun n SER 117 Cb 0.61 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 2bun n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bun n LEU 118 N 0.47 0.24 0.07 1.04 -0.00 -1.26 -4.14 117.00 113.42 2bun n LEU 118 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.03 2bun n LEU 118 Cb 0.45 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.93 2bun n LEU 118 CO 0.19 0.04 0.40 1.23 -0.00 0.00 0.00 177.39 179.25 2bun h GLY 119 N 0.00 0.34 0.00 1.47 0.00 -1.84 -3.35 103.07 99.70 2bun h GLY 119 Ca 0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 47.33 46.52 2bun h GLY 119 CO 0.00 0.42 -2.28 1.04 0.00 0.00 0.00 176.54 175.72 2bun n LEU 120 N -3.83 2.14 -4.42 3.11 4.32 -1.25 -4.73 117.00 112.34 2bun n LEU 120 Ca -0.03 -0.09 -0.45 0.00 -0.02 0.00 0.00 56.01 55.42 2bun n LEU 120 Cb 0.68 -0.45 -0.01 0.00 -1.62 0.00 0.00 43.42 42.02 2bun n LEU 120 CO 0.46 0.76 1.04 0.00 -1.22 0.00 0.00 177.39 178.44 2bun s ALA 121 N -2.45 3.96 -0.34 -1.18 0.00 -1.21 -4.81 121.76 115.73 2bun s ALA 121 Ca -0.25 -3.27 0.05 0.00 0.00 0.00 0.00 51.96 48.49 2bun s ALA 121 Cb 0.07 -3.93 0.17 0.00 0.00 0.00 0.00 23.12 19.43 2bun s ALA 121 CO 0.59 -2.67 0.50 -2.00 0.00 0.00 0.00 175.76 172.17 2bun s GLU 122 N 1.22 0.61 0.05 0.00 2.12 -1.26 -4.17 118.70 117.27 2bun s GLU 122 Ca 0.35 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 2bun s GLU 122 Cb -0.06 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.14 2bun s GLU 122 CO -0.05 -1.12 0.07 0.45 -0.54 0.00 0.00 175.26 174.07 2bun s SER 123 N 2.16 0.27 0.00 -1.70 0.15 -1.26 -5.03 113.70 108.29 2bun s SER 123 Ca 0.13 -0.72 0.19 0.00 0.70 0.00 0.00 55.95 56.25 2bun s SER 123 Cb -0.10 0.24 0.11 0.00 -1.71 0.00 0.00 66.02 64.56 2bun s SER 123 CO -0.17 -0.58 1.06 0.54 1.20 0.00 0.00 173.24 175.28 2bun n ARG 124 N 0.38 1.62 0.00 5.44 5.12 -1.26 -5.29 116.66 122.67 2bun n ARG 124 Ca -0.17 -1.44 0.00 0.00 -1.93 0.00 0.00 57.85 54.31 2bun n ARG 124 Cb 0.60 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 2bun n ARG 124 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64