#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bue s SER 22 N 0.00 6.97 -0.18 1.67 0.15 -1.26 -5.02 113.70 116.04 2bue s SER 22 Ca 0.00 1.17 -0.20 0.00 0.70 0.00 0.00 55.95 57.62 2bue s SER 22 Cb 0.00 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2bue s SER 22 CO 0.00 -0.12 0.58 -0.69 1.20 0.00 0.00 173.24 174.22 2bue s VAL 23 N 0.82 5.07 0.40 4.45 1.01 -1.26 -4.42 120.40 126.46 2bue s VAL 23 Ca 0.37 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.54 2bue s VAL 23 Cb -0.18 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2bue s VAL 23 CO 0.18 0.17 -0.01 0.42 0.00 0.00 0.00 175.10 175.86 2bue s THR 24 N 1.57 2.06 -0.03 3.92 -4.23 -0.45 -4.84 115.64 113.63 2bue s THR 24 Ca 0.28 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.81 2bue s THR 24 Cb -0.16 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 2bue s THR 24 CO 0.11 -0.04 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.19 2bue s LEU 25 N -3.69 1.99 0.17 4.79 1.43 -1.26 -0.53 118.68 121.58 2bue s LEU 25 Ca 0.35 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2bue s LEU 25 Cb 0.08 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 2bue s LEU 25 CO 0.18 0.20 -0.17 0.00 0.23 0.00 0.00 176.35 176.79 2bue s ARG 26 N -0.19 1.27 0.36 1.70 1.70 -0.61 -4.99 118.95 118.20 2bue s ARG 26 Ca 0.01 -1.43 -0.28 0.00 -0.47 0.00 0.00 55.73 53.55 2bue s ARG 26 Cb -0.10 -1.27 -0.11 0.00 -0.57 0.00 0.00 34.95 32.89 2bue s ARG 26 CO 0.01 0.25 1.50 1.28 -1.08 0.00 0.00 175.30 177.26 2bue n LEU 27 N 0.17 4.63 -4.78 -1.89 4.77 -1.26 -0.58 117.00 118.06 2bue n LEU 27 Ca -0.12 1.21 -0.37 0.00 -0.03 0.00 0.00 56.01 56.70 2bue n LEU 27 Cb 0.58 -1.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.02 2bue n LEU 27 CO 0.30 0.12 0.73 -0.32 -1.33 0.00 0.00 177.39 176.90 2bue s MET 28 N -1.78 4.18 0.38 3.23 -2.45 -0.31 -4.55 119.30 118.01 2bue s MET 28 Ca 0.55 1.51 0.08 0.00 -1.25 0.00 0.00 55.69 56.59 2bue s MET 28 Cb -0.49 -2.56 -0.07 0.00 1.25 0.00 0.00 34.83 32.97 2bue s MET 28 CO 0.61 -0.13 -0.02 0.95 1.05 0.00 0.00 175.02 177.48 2bue s THR 29 N -1.65 2.13 0.56 10.11 -4.23 -1.26 -4.84 115.64 116.46 2bue s THR 29 Ca 0.57 -2.06 0.29 0.00 -1.18 0.00 0.00 61.69 59.31 2bue s THR 29 Cb -0.22 -2.86 0.42 0.00 1.34 0.00 0.00 72.50 71.18 2bue s THR 29 CO 0.28 -0.08 1.91 1.05 -0.54 0.00 0.00 174.62 177.23 2bue h GLU 30 N 1.85 0.00 0.00 3.99 4.11 -1.98 -0.68 114.58 121.87 2bue h GLU 30 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2bue h GLU 30 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2bue h GLU 30 CO 0.76 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.56 2bue n HIS 31 N -4.01 0.68 1.19 2.06 8.25 -1.26 -2.61 115.22 119.52 2bue n HIS 31 Ca 0.12 0.28 0.13 0.00 -0.26 0.00 0.00 57.72 57.98 2bue n HIS 31 Cb 0.76 -0.95 0.31 0.00 1.12 0.00 0.00 29.99 31.23 2bue n HIS 31 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2bue n ASP 32 N -2.13 1.09 -0.13 0.41 8.00 -0.26 -4.52 116.55 119.01 2bue n ASP 32 Ca 0.02 -0.91 -0.10 0.00 0.71 0.00 0.00 54.79 54.51 2bue n ASP 32 Cb 0.19 0.20 0.04 0.00 -0.02 0.00 0.00 41.12 41.53 2bue n ASP 32 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2bue h LEU 33 N 1.22 0.94 -0.53 0.64 3.38 -1.62 0.11 115.31 119.44 2bue h LEU 33 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2bue h LEU 33 Cb 0.53 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2bue h LEU 33 CO 0.00 1.11 0.35 0.00 0.09 0.00 0.00 178.44 179.99 2bue h ALA 34 N 0.96 0.67 -0.28 1.53 0.00 -1.82 0.22 119.26 120.55 2bue h ALA 34 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bue h ALA 34 Cb 0.76 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2bue h ALA 34 CO 0.06 0.12 0.16 1.98 0.00 0.00 0.00 179.25 181.57 2bue h MET 35 N 0.72 0.38 -0.84 0.00 1.85 -1.76 -1.65 114.93 113.63 2bue h MET 35 Ca 0.19 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.27 2bue h MET 35 Cb -0.08 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 31.83 2bue h MET 35 CO -0.04 0.32 0.54 1.25 -0.40 0.00 0.00 176.91 178.58 2bue h LEU 36 N 0.34 0.91 -0.20 3.39 5.85 -0.66 -0.84 115.31 124.10 2bue h LEU 36 Ca 0.10 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2bue h LEU 36 Cb 0.05 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2bue h LEU 36 CO -0.02 0.63 -0.05 0.22 -0.34 0.00 0.00 178.44 178.88 2bue h TYR 37 N 1.07 -0.12 -0.17 1.25 3.20 -0.70 0.14 116.97 121.63 2bue h TYR 37 Ca 0.33 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.26 2bue h TYR 37 Cb -0.03 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2bue h TYR 37 CO -0.02 -0.09 -0.15 1.49 -1.64 0.00 0.00 178.16 177.75 2bue h GLU 38 N -0.01 -0.16 -0.45 1.82 4.81 -0.78 -2.74 114.58 117.08 2bue h GLU 38 Ca 0.10 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2bue h GLU 38 Cb 0.15 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 2bue h GLU 38 CO -0.21 -0.10 0.11 -1.49 -0.73 0.00 0.00 179.01 176.59 2bue h TRP 39 N -0.16 0.18 0.00 0.92 6.55 -0.57 -2.42 115.95 120.45 2bue h TRP 39 Ca 0.11 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.97 2bue h TRP 39 Cb 0.32 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 2bue h TRP 39 CO -0.29 0.03 0.00 1.28 -1.05 0.00 0.00 178.44 178.41 2bue n LEU 40 N -5.08 0.18 -0.92 -4.49 4.77 0.43 -1.39 117.00 110.50 2bue n LEU 40 Ca 0.04 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.66 2bue n LEU 40 Cb 0.20 -0.54 0.20 0.00 -2.33 0.00 0.00 43.42 40.94 2bue n LEU 40 CO 0.23 -0.43 0.66 0.59 -1.33 0.00 0.00 177.39 177.11 2bue n ASN 41 N -1.71 3.19 -4.74 -1.43 3.02 -0.92 -4.25 115.26 108.42 2bue n ASN 41 Ca 0.02 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 2bue n ASN 41 Cb 0.13 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 38.98 2bue n ASN 41 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2bue s ARG 42 N -1.10 4.73 0.28 3.52 0.52 -0.49 -4.91 118.95 121.50 2bue s ARG 42 Ca 0.32 1.55 0.01 0.00 -0.52 0.00 0.00 55.73 57.09 2bue s ARG 42 Cb 0.18 -3.30 0.54 0.00 0.52 0.00 0.00 34.95 32.88 2bue s ARG 42 CO 0.24 0.30 1.82 1.03 0.02 0.00 0.00 175.30 178.70 2bue h SER 43 N 4.81 0.84 0.67 0.23 0.87 -1.93 -0.67 113.55 118.36 2bue h SER 43 Ca -0.44 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2bue h SER 43 Cb 1.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2bue h SER 43 CO 0.70 0.43 0.00 1.12 -0.53 0.00 0.00 176.83 178.55 2bue h HIS 44 N 0.91 0.00 0.04 2.24 2.07 -1.94 -2.73 115.15 115.73 2bue h HIS 44 Ca 0.49 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.66 2bue h HIS 44 Cb 0.53 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.46 2bue h HIS 44 CO -0.02 0.00 -1.97 -0.89 -3.07 0.00 0.00 177.93 171.98 2bue n ILE 45 N -2.89 1.60 -0.33 6.12 5.41 -0.43 -4.27 119.36 124.57 2bue n ILE 45 Ca -0.00 -0.38 0.16 0.00 1.00 0.00 0.00 62.75 63.53 2bue n ILE 45 Cb 0.22 -1.81 0.39 0.00 -0.71 0.00 0.00 39.64 37.73 2bue n ILE 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2bue h VAL 46 N -0.52 0.66 -0.98 1.39 2.07 -1.08 0.07 116.25 117.85 2bue h VAL 46 Ca -0.49 -0.22 0.21 0.00 0.82 0.00 0.00 66.70 67.03 2bue h VAL 46 Cb 1.69 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 2bue h VAL 46 CO -0.15 0.11 0.62 -0.08 0.02 0.00 0.00 177.57 178.09 2bue h GLU 47 N 0.63 0.55 0.00 1.57 4.81 -1.67 -3.16 114.58 117.31 2bue h GLU 47 Ca 0.57 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2bue h GLU 47 Cb 1.07 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2bue h GLU 47 CO -0.34 0.36 0.00 0.91 -0.73 0.00 0.00 179.01 179.21 2bue n TRP 48 N -4.65 0.00 -3.71 0.92 7.02 -0.48 -5.01 117.44 111.53 2bue n TRP 48 Ca 0.23 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.53 2bue n TRP 48 Cb 0.69 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.41 2bue n TRP 48 CO 0.00 0.00 0.00 -0.46 -2.02 0.00 0.00 177.69 175.21 2bue s TRP 49 N -0.05 0.03 0.00 -5.99 -0.11 -0.11 -4.87 118.94 107.83 2bue s TRP 49 Ca 0.00 0.24 0.00 0.00 1.22 0.00 0.00 56.10 57.56 2bue s TRP 49 Cb 0.00 -0.38 0.00 0.00 -1.50 0.00 0.00 33.47 31.59 2bue s TRP 49 CO 0.00 -0.16 0.00 0.41 -4.62 0.00 0.00 176.95 172.58 2bue n GLY 50 N 4.90 3.42 7.00 5.86 0.00 -1.26 -4.34 105.19 120.77 2bue n GLY 50 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2bue n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bue n GLY 51 N 0.00 3.67 0.35 -0.02 0.00 -1.26 -0.68 105.19 107.25 2bue n GLY 51 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2bue n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bue h GLU 52 N 0.00 0.34 -0.65 1.61 5.08 -2.00 -2.37 114.58 116.59 2bue h GLU 52 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2bue h GLU 52 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2bue h GLU 52 CO 0.00 0.22 0.00 0.39 -1.00 0.00 0.00 179.01 178.62 2bue n GLU 53 N -4.47 3.54 -1.66 2.33 1.02 0.15 -4.98 120.64 116.58 2bue n GLU 53 Ca 0.08 -2.36 -0.39 0.00 -0.02 0.00 0.00 57.16 54.48 2bue n GLU 53 Cb 0.35 -1.91 0.04 0.00 -0.02 0.00 0.00 31.44 29.91 2bue n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bue n ALA 54 N 0.71 0.64 -3.51 0.62 0.00 -0.90 -3.44 120.51 114.63 2bue n ALA 54 Ca 0.21 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.49 2bue n ALA 54 Cb 0.84 -2.18 0.05 0.00 0.00 0.00 0.00 19.45 18.16 2bue n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bue n ARG 55 N -0.80 -1.81 -2.23 0.00 1.74 -1.26 -4.95 116.66 107.36 2bue n ARG 55 Ca 0.12 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.47 2bue n ARG 55 Cb 0.45 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 27.03 2bue n ARG 55 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2bue s PRO 56 N -5.34 3.39 0.90 5.56 0.04 -1.22 -5.03 135.00 133.30 2bue s PRO 56 Ca 0.45 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 2bue s PRO 56 Cb -0.12 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.48 2bue s PRO 56 CO 0.81 -0.84 1.11 0.95 0.04 0.00 0.00 177.00 179.08 2bue s THR 57 N -1.70 2.32 0.18 1.26 -4.23 -1.26 -4.85 115.64 107.37 2bue s THR 57 Ca 0.72 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 61.21 2bue s THR 57 Cb -0.26 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 70.89 2bue s THR 57 CO 0.29 -0.14 1.79 0.25 -0.54 0.00 0.00 174.62 176.28 2bue h LEU 58 N -1.49 0.41 -0.66 4.79 5.85 -1.95 -1.55 115.31 120.71 2bue h LEU 58 Ca -0.50 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.27 2bue h LEU 58 Cb 1.31 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 2bue h LEU 58 CO 0.60 0.28 0.40 0.00 -0.34 0.00 0.00 178.44 179.38 2bue h ALA 59 N 1.28 0.86 -0.37 1.25 0.00 -1.98 0.94 119.26 121.23 2bue h ALA 59 Ca 0.23 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2bue h ALA 59 Cb 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2bue h ALA 59 CO -0.16 0.15 -0.02 -0.44 0.00 0.00 0.00 179.25 178.79 2bue h ASP 60 N 0.79 -0.19 -0.43 0.00 3.32 -1.79 0.93 116.42 119.05 2bue h ASP 60 Ca 0.27 0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.29 2bue h ASP 60 Cb 0.04 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2bue h ASP 60 CO -0.11 -0.06 -0.18 0.58 -1.72 0.00 0.00 179.24 177.75 2bue h VAL 61 N 0.08 1.28 -0.98 -1.35 2.07 -0.67 0.09 116.25 116.77 2bue h VAL 61 Ca 0.18 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.39 2bue h VAL 61 Cb 0.26 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2bue h VAL 61 CO -0.32 0.45 0.65 1.56 0.02 0.00 0.00 177.57 179.93 2bue h GLN 62 N 0.72 1.27 0.00 1.57 4.20 -0.52 -0.13 115.11 122.22 2bue h GLN 62 Ca 0.10 -0.08 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 2bue h GLN 62 Cb 0.75 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2bue h GLN 62 CO 0.06 0.84 -0.87 0.93 -0.67 0.00 0.00 178.83 179.12 2bue h GLU 63 N 1.31 0.04 0.00 1.46 5.08 -0.50 -3.25 114.58 118.72 2bue h GLU 63 Ca 0.36 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 58.35 2bue h GLU 63 Cb -0.13 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 2bue h GLU 63 CO -0.08 0.88 -2.30 1.04 -1.00 0.00 0.00 179.01 177.55 2bue n GLN 64 N -3.54 0.82 -0.01 2.33 6.02 -0.01 -4.57 117.38 118.42 2bue n GLN 64 Ca -0.01 -0.02 0.06 0.00 -0.01 0.00 0.00 57.00 57.01 2bue n GLN 64 Cb 0.82 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.64 2bue n GLN 64 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2bue n TYR 65 N -2.68 0.02 -1.67 1.08 4.01 -0.07 -4.38 117.16 113.48 2bue n TYR 65 Ca -0.29 -0.02 -0.47 0.00 -0.16 0.00 0.00 57.90 56.96 2bue n TYR 65 Cb 1.08 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.07 2bue n TYR 65 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2bue n LEU 66 N 0.65 3.09 -0.35 7.72 7.94 -1.22 -4.77 117.00 130.06 2bue n LEU 66 Ca 0.07 1.06 0.14 0.00 -1.11 0.00 0.00 56.01 56.17 2bue n LEU 66 Cb 0.29 -1.40 0.35 0.00 0.53 0.00 0.00 43.42 43.19 2bue n LEU 66 CO 0.07 -0.28 1.19 -0.65 -1.11 0.00 0.00 177.39 176.61 2bue h PRO 67 N 6.62 0.68 -0.01 1.96 0.11 -1.90 0.48 132.00 139.93 2bue h PRO 67 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2bue h PRO 67 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2bue h PRO 67 CO 0.90 0.45 -0.22 0.66 -0.21 0.00 0.00 178.00 179.58 2bue h SER 68 N 0.70 0.01 -0.07 -2.05 4.64 -1.96 -0.27 113.55 114.56 2bue h SER 68 Ca 0.59 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.77 2bue h SER 68 Cb 1.00 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2bue h SER 68 CO -0.40 0.23 -0.50 0.58 -0.87 0.00 0.00 176.83 175.88 2bue h VAL 69 N 0.01 1.39 -0.51 0.95 2.07 -1.30 -3.17 116.25 115.70 2bue h VAL 69 Ca -0.00 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 2bue h VAL 69 Cb 0.40 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2bue h VAL 69 CO 0.03 0.56 0.29 -0.07 0.02 0.00 0.00 177.57 178.40 2bue h LEU 70 N 0.02 0.60 -1.75 2.57 3.38 -1.01 -1.89 115.31 117.22 2bue h LEU 70 Ca -0.04 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2bue h LEU 70 Cb 1.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2bue h LEU 70 CO 0.10 0.48 0.30 0.00 0.09 0.00 0.00 178.44 179.41 2bue h ALA 71 N 1.63 2.03 0.00 1.53 0.00 -1.01 0.03 119.26 123.46 2bue h ALA 71 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2bue h ALA 71 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2bue h ALA 71 CO -0.03 -0.12 0.00 1.96 0.00 0.00 0.00 179.25 181.06 2bue h GLN 72 N 0.30 0.00 -0.19 0.00 1.08 -1.33 -2.23 115.11 112.75 2bue h GLN 72 Ca 0.20 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 2bue h GLN 72 Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2bue h GLN 72 CO -0.04 0.00 -0.01 -0.85 -0.95 0.00 0.00 178.83 176.98 2bue n GLU 73 N -2.65 2.36 -2.86 1.46 0.28 -0.11 -4.96 120.64 114.17 2bue n GLU 73 Ca 0.01 -2.80 -0.20 0.00 -0.16 0.00 0.00 57.16 54.01 2bue n GLU 73 Cb 0.23 -1.74 0.03 0.00 1.43 0.00 0.00 31.44 31.39 2bue n GLU 73 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2bue n SER 74 N -0.83 -5.64 -4.44 -1.84 7.64 -0.84 -4.49 113.62 103.18 2bue n SER 74 Ca 0.21 -0.23 -0.33 0.00 1.01 0.00 0.00 58.87 59.53 2bue n SER 74 Cb 0.83 -4.50 -0.13 0.00 -1.01 0.00 0.00 64.21 59.40 2bue n SER 74 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bue s VAL 75 N -3.09 3.30 -0.21 0.44 1.01 -0.59 -1.85 120.40 119.42 2bue s VAL 75 Ca 0.24 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2bue s VAL 75 Cb -0.10 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2bue s VAL 75 CO 0.29 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.92 2bue s THR 76 N 0.03 2.72 0.06 3.92 2.01 0.43 -3.21 115.64 121.60 2bue s THR 76 Ca -0.03 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 2bue s THR 76 Cb -0.14 -2.22 -0.06 0.00 0.01 0.00 0.00 72.50 70.09 2bue s THR 76 CO 0.04 0.45 0.51 -2.16 -0.69 0.00 0.00 174.62 172.77 2bue s PRO 77 N 1.38 4.07 0.12 4.92 0.04 -1.26 -1.30 135.00 142.97 2bue s PRO 77 Ca 0.05 0.59 0.07 0.00 0.04 0.00 0.00 61.00 61.75 2bue s PRO 77 Cb -0.14 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2bue s PRO 77 CO -0.08 0.64 -0.17 0.71 0.04 0.00 0.00 177.00 178.14 2bue s TYR 78 N -1.14 1.60 -0.17 0.56 2.02 0.10 -1.16 117.35 119.16 2bue s TYR 78 Ca 0.28 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.45 2bue s TYR 78 Cb -0.18 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 2bue s TYR 78 CO 0.17 0.20 -0.01 0.42 -1.57 0.00 0.00 175.55 174.76 2bue s ILE 79 N -1.75 4.07 0.02 2.71 -1.09 0.25 -1.41 121.20 124.00 2bue s ILE 79 Ca 0.09 -0.29 -0.26 0.00 -2.23 0.00 0.00 60.65 57.96 2bue s ILE 79 Cb -0.07 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 2bue s ILE 79 CO 0.04 0.47 0.82 0.00 -1.23 0.00 0.00 174.94 175.04 2bue s ALA 80 N 0.54 3.30 -0.00 9.38 0.00 -0.25 -1.57 121.76 133.15 2bue s ALA 80 Ca -0.01 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.37 2bue s ALA 80 Cb -0.14 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 2bue s ALA 80 CO 0.02 -0.05 -0.24 -1.64 0.00 0.00 0.00 175.76 173.85 2bue s MET 81 N 0.36 2.08 -0.06 0.00 1.00 0.32 -0.00 119.30 122.99 2bue s MET 81 Ca 0.42 -0.95 -0.02 0.00 0.00 0.00 0.00 55.69 55.14 2bue s MET 81 Cb -0.20 -2.07 0.04 0.00 0.00 0.00 0.00 34.83 32.60 2bue s MET 81 CO 0.24 0.55 0.11 -1.17 0.00 0.00 0.00 175.02 174.75 2bue s LEU 82 N -0.81 0.26 -1.48 -0.03 2.96 0.04 -1.34 118.68 118.28 2bue s LEU 82 Ca 0.11 0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2bue s LEU 82 Cb -0.10 0.12 0.05 0.00 0.50 0.00 0.00 46.19 46.75 2bue s LEU 82 CO 0.00 -0.22 0.59 0.59 -1.32 0.00 0.00 176.35 176.00 2bue n ASN 83 N 5.00 -1.59 0.00 3.68 3.02 -1.26 -1.22 115.26 122.88 2bue n ASN 83 Ca -0.11 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2bue n ASN 83 Cb 0.50 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 2bue n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bue n GLY 84 N -1.78 0.35 3.55 7.41 0.00 -1.26 -5.01 105.19 108.45 2bue n GLY 84 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2bue n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bue s GLU 85 N -0.77 2.75 -0.03 1.61 0.41 -0.35 -5.10 118.70 117.22 2bue s GLU 85 Ca 0.00 -0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 53.68 2bue s GLU 85 Cb 0.00 -2.56 -0.05 0.00 -1.78 0.00 0.00 34.13 29.74 2bue s GLU 85 CO 0.00 0.63 1.36 -1.25 -0.49 0.00 0.00 175.26 175.51 2bue s PRO 86 N -0.72 4.29 0.00 0.39 0.04 -1.26 -0.78 135.00 136.97 2bue s PRO 86 Ca 0.11 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2bue s PRO 86 Cb -0.11 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2bue s PRO 86 CO 0.01 -0.57 0.40 0.44 0.04 0.00 0.00 177.00 177.33 2bue n ILE 87 N 4.74 0.00 -3.89 0.56 -5.35 0.99 -4.94 119.36 111.47 2bue n ILE 87 Ca 0.13 -0.45 0.03 0.00 -0.27 0.00 0.00 62.75 62.19 2bue n ILE 87 Cb 0.44 1.09 0.01 0.00 -1.74 0.00 0.00 39.64 39.44 2bue n ILE 87 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2bue s GLY 88 N -0.10 -0.25 0.00 3.28 0.00 -1.18 -0.17 107.32 108.90 2bue s GLY 88 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 44.72 45.10 2bue s GLY 88 CO 0.00 4.45 -0.22 -0.47 0.00 0.00 0.00 173.10 176.86 2bue s TYR 89 N -2.07 2.00 0.10 1.90 5.04 -0.43 -1.09 117.35 122.80 2bue s TYR 89 Ca 0.26 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.49 2bue s TYR 89 Cb 0.02 -1.26 -0.04 0.00 0.35 0.00 0.00 41.96 41.03 2bue s TYR 89 CO -0.03 0.00 0.04 0.00 -1.34 0.00 0.00 175.55 174.23 2bue s ALA 90 N -0.60 0.63 -0.02 3.97 0.00 -0.50 -0.77 121.76 124.48 2bue s ALA 90 Ca 0.09 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 2bue s ALA 90 Cb -0.09 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.67 2bue s ALA 90 CO -0.00 -0.45 0.21 1.14 0.00 0.00 0.00 175.76 176.66 2bue s GLN 91 N -3.99 0.49 0.19 0.00 -2.07 -0.13 0.03 119.66 114.19 2bue s GLN 91 Ca 0.16 -0.19 0.11 0.00 -1.82 0.00 0.00 55.36 53.62 2bue s GLN 91 Cb 0.07 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 2bue s GLN 91 CO -0.03 -0.12 -0.20 -1.54 -1.32 0.00 0.00 175.29 172.07 2bue s SER 92 N -1.05 3.65 0.02 12.60 1.04 -0.42 -1.71 113.70 127.83 2bue s SER 92 Ca -0.11 -0.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.47 2bue s SER 92 Cb -0.06 -0.38 -0.00 0.00 0.10 0.00 0.00 66.02 65.68 2bue s SER 92 CO 0.02 0.12 0.12 -0.72 0.98 0.00 0.00 173.24 173.76 2bue s TYR 93 N -1.64 0.11 -0.36 5.02 -0.85 -0.16 -0.43 117.35 119.05 2bue s TYR 93 Ca 0.21 -0.30 -0.27 0.00 -0.52 0.00 0.00 57.07 56.19 2bue s TYR 93 Cb -0.08 -0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.19 2bue s TYR 93 CO 0.11 -0.32 1.01 0.08 -1.52 0.00 0.00 175.55 174.91 2bue s VAL 94 N -1.94 4.52 0.17 -3.49 1.01 -0.77 -0.87 120.40 119.03 2bue s VAL 94 Ca -0.10 1.44 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 2bue s VAL 94 Cb -0.05 -4.39 0.06 0.00 0.00 0.00 0.00 36.38 32.00 2bue s VAL 94 CO -0.01 -0.55 1.79 0.00 0.00 0.00 0.00 175.10 176.33 2bue h ALA 95 N 8.37 0.67 -0.02 5.51 0.00 -1.79 -1.16 119.26 130.83 2bue h ALA 95 Ca -0.22 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2bue h ALA 95 Cb 1.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2bue h ALA 95 CO 1.02 0.16 0.03 1.25 0.00 0.00 0.00 179.25 181.71 2bue h LEU 96 N 0.70 0.00 -3.01 0.00 5.85 -1.82 -2.94 115.31 114.09 2bue h LEU 96 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2bue h LEU 96 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2bue h LEU 96 CO -0.03 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.68 2bue n GLY 97 N -1.33 2.62 3.92 3.75 0.00 -0.44 -5.01 105.19 108.70 2bue n GLY 97 Ca -0.02 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 2bue n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bue s SER 98 N -0.71 5.25 1.08 1.61 0.01 -1.11 -4.35 113.70 115.47 2bue s SER 98 Ca 0.45 0.60 -0.12 0.00 1.31 0.00 0.00 55.95 58.19 2bue s SER 98 Cb 0.33 -1.44 0.21 0.00 0.21 0.00 0.00 66.02 65.33 2bue s SER 98 CO 0.16 -1.30 0.93 0.61 0.41 0.00 0.00 173.24 174.05 2bue n GLY 99 N -2.73 -1.53 3.59 3.44 0.00 -1.26 -4.78 105.19 101.92 2bue n GLY 99 Ca 0.06 -0.97 -0.50 0.00 0.00 0.00 0.00 46.02 44.62 2bue n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bue n ASP 100 N -4.22 1.63 0.00 1.61 2.03 -1.26 -1.44 116.55 114.90 2bue n ASP 100 Ca 0.06 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2bue n ASP 100 Cb 0.54 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 2bue n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bue n GLY 101 N 2.30 3.07 3.69 0.27 0.00 -1.26 -4.96 105.19 108.30 2bue n GLY 101 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2bue n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bue s TRP 102 N -2.41 3.42 -1.49 1.61 0.52 -0.52 -4.34 118.94 115.72 2bue s TRP 102 Ca 0.00 0.66 -0.10 0.00 0.02 0.00 0.00 56.10 56.68 2bue s TRP 102 Cb 0.00 -2.48 0.07 0.00 -1.15 0.00 0.00 33.47 29.90 2bue s TRP 102 CO 0.00 0.09 0.83 0.91 0.02 0.00 0.00 176.95 178.79 2bue n TRP 103 N 4.09 -2.06 0.27 -1.98 7.02 -1.26 -4.69 117.44 118.83 2bue n TRP 103 Ca -0.09 0.86 0.14 0.00 -1.02 0.00 0.00 57.50 57.39 2bue n TRP 103 Cb 0.51 -3.91 0.71 0.00 -2.42 0.00 0.00 31.31 26.21 2bue n TRP 103 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2bue h GLU 104 N -1.93 0.00 -0.00 -0.99 4.39 -1.91 -2.08 114.58 112.05 2bue h GLU 104 Ca -0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2bue h GLU 104 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2bue h GLU 104 CO 0.66 0.10 -0.24 0.39 -1.16 0.00 0.00 179.01 178.76 2bue n GLU 105 N -3.39 0.54 -2.05 2.33 -0.58 -1.26 -4.93 120.64 111.30 2bue n GLU 105 Ca -0.01 -0.26 -0.39 0.00 -0.42 0.00 0.00 57.16 56.07 2bue n GLU 105 Cb 0.28 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2bue n GLU 105 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2bue s GLU 106 N -2.64 3.94 0.00 3.49 2.56 -0.78 -4.92 118.70 120.34 2bue s GLU 106 Ca 0.22 2.15 0.00 0.00 0.00 0.00 0.00 54.97 57.34 2bue s GLU 106 Cb 0.19 -2.73 0.00 0.00 2.00 0.00 0.00 34.13 33.59 2bue s GLU 106 CO 0.55 -0.51 0.00 0.25 -0.56 0.00 0.00 175.26 174.98 2bue n THR 107 N 0.08 0.00 -3.47 -1.70 -2.24 -1.26 -4.93 114.28 100.76 2bue n THR 107 Ca 0.04 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2bue n THR 107 Cb 0.44 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 2bue n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bue s ASP 108 N -0.91 6.11 0.00 3.42 2.15 -1.26 -4.95 116.67 121.23 2bue s ASP 108 Ca 0.00 -0.59 0.16 0.00 0.43 0.00 0.00 52.55 52.55 2bue s ASP 108 Cb 0.00 -2.16 0.77 0.00 -0.30 0.00 0.00 42.92 41.23 2bue s ASP 108 CO 0.00 -0.36 1.50 -0.81 -0.17 0.00 0.00 175.17 175.33 2bue n PRO 109 N 5.20 0.13 0.00 4.34 -0.04 -1.26 -2.37 135.00 141.00 2bue n PRO 109 Ca -0.11 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.66 2bue n PRO 109 Cb 0.48 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.00 2bue n PRO 109 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bue n GLY 110 N 0.14 -1.39 3.71 0.55 0.00 -1.26 -4.86 105.19 102.08 2bue n GLY 110 Ca 0.06 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2bue n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bue s VAL 111 N -2.92 4.38 -0.02 1.61 1.01 -1.00 -1.23 120.40 122.23 2bue s VAL 111 Ca 0.16 1.71 0.07 0.00 0.00 0.00 0.00 61.98 63.92 2bue s VAL 111 Cb 0.19 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2bue s VAL 111 CO 0.55 0.11 -0.25 -0.13 0.00 0.00 0.00 175.10 175.38 2bue s ARG 112 N 1.26 2.08 0.31 2.72 1.81 -0.64 -2.29 118.95 124.20 2bue s ARG 112 Ca 0.56 -0.89 0.08 0.00 -1.72 0.00 0.00 55.73 53.76 2bue s ARG 112 Cb -0.25 -1.97 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 2bue s ARG 112 CO 0.27 0.51 0.15 0.20 -0.68 0.00 0.00 175.30 175.76 2bue s GLY 113 N -0.52 1.79 0.08 -3.53 0.00 -0.05 -0.30 107.32 104.78 2bue s GLY 113 Ca 0.08 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.12 2bue s GLY 113 CO -0.00 -1.68 -0.09 -0.26 0.00 0.00 0.00 173.10 171.07 2bue s ILE 114 N -2.34 0.76 0.00 0.90 -4.36 -0.76 -0.99 121.20 114.41 2bue s ILE 114 Ca 0.36 -1.52 -0.05 0.00 -0.26 0.00 0.00 60.65 59.18 2bue s ILE 114 Cb -0.05 -1.19 -0.00 0.00 1.25 0.00 0.00 42.46 42.48 2bue s ILE 114 CO 0.23 -0.56 0.10 -1.81 0.24 0.00 0.00 174.94 173.14 2bue s ASP 115 N -2.28 0.05 0.16 4.36 1.01 -0.69 -4.60 116.67 114.67 2bue s ASP 115 Ca 0.02 -0.22 -0.24 0.00 0.71 0.00 0.00 52.55 52.83 2bue s ASP 115 Cb -0.03 0.19 0.07 0.00 1.01 0.00 0.00 42.92 44.15 2bue s ASP 115 CO -0.01 -0.32 0.69 0.00 0.21 0.00 0.00 175.17 175.75 2bue s GLN 116 N -1.23 1.30 -0.02 8.23 0.00 -1.26 -0.95 119.66 125.73 2bue s GLN 116 Ca -0.13 -0.55 -0.13 0.00 -0.00 0.00 0.00 55.36 54.55 2bue s GLN 116 Cb -0.07 0.55 0.02 0.00 0.00 0.00 0.00 33.01 33.50 2bue s GLN 116 CO 0.01 -0.58 0.27 -0.48 0.00 0.00 0.00 175.29 174.51 2bue s LEU 117 N -2.75 1.00 -0.16 2.60 0.05 0.05 -5.00 118.68 114.47 2bue s LEU 117 Ca 0.04 0.07 -0.12 0.00 0.05 0.00 0.00 54.13 54.17 2bue s LEU 117 Cb -0.02 1.12 -0.05 0.00 -2.05 0.00 0.00 46.19 45.19 2bue s LEU 117 CO -0.08 -0.40 0.24 -0.76 -0.55 0.00 0.00 176.35 174.81 2bue s LEU 118 N -1.20 4.25 0.32 1.48 1.43 -1.26 -1.32 118.68 122.38 2bue s LEU 118 Ca -0.13 0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 2bue s LEU 118 Cb -0.05 -2.28 0.53 0.00 0.03 0.00 0.00 46.19 44.41 2bue s LEU 118 CO 0.03 0.15 1.82 0.00 0.23 0.00 0.00 176.35 178.58 2bue h ALA 119 N 6.48 1.27 -3.02 4.21 0.00 -0.92 -3.44 119.26 123.83 2bue h ALA 119 Ca -0.42 -0.25 -0.66 0.00 0.00 0.00 0.00 54.91 53.57 2bue h ALA 119 Cb 1.17 -0.14 -0.28 0.00 0.00 0.00 0.00 17.79 18.53 2bue h ALA 119 CO 0.74 0.48 -0.73 -0.80 0.00 0.00 0.00 179.25 178.95 2bue s ASN 120 N -6.76 4.28 0.37 0.00 0.01 -1.26 -4.98 114.94 106.60 2bue s ASN 120 Ca -0.07 -0.46 0.12 0.00 -0.71 0.00 0.00 52.86 51.73 2bue s ASN 120 Cb 0.15 -1.73 0.91 0.00 0.41 0.00 0.00 41.25 40.99 2bue s ASN 120 CO 0.77 -0.04 1.84 0.00 -1.51 0.00 0.00 177.10 178.17 2bue h ALA 121 N 8.10 1.95 0.00 0.60 0.00 -2.00 -0.28 119.26 127.63 2bue h ALA 121 Ca -0.40 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2bue h ALA 121 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bue h ALA 121 CO 0.60 -0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.27 2bue h SER 122 N 0.59 0.00 -0.51 0.00 4.64 -1.99 -2.87 113.55 113.42 2bue h SER 122 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2bue h SER 122 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2bue h SER 122 CO -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.73 2bue n GLN 123 N -2.67 2.65 -2.79 4.77 6.02 -0.12 -4.99 117.38 120.25 2bue n GLN 123 Ca -0.00 -2.31 -0.33 0.00 -0.01 0.00 0.00 57.00 54.35 2bue n GLN 123 Cb 0.17 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 29.94 2bue n GLN 123 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bue s LEU 124 N -1.06 3.92 -1.39 1.08 1.43 -1.09 -4.15 118.68 117.43 2bue s LEU 124 Ca 0.36 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2bue s LEU 124 Cb 0.19 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.88 2bue s LEU 124 CO 0.25 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2bue n GLY 125 N -0.71 0.76 0.12 -3.19 0.00 -1.26 -4.89 105.19 96.02 2bue n GLY 125 Ca 0.07 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.85 2bue n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bue n LYS 126 N -2.50 1.15 -0.38 1.61 5.02 -1.26 -4.99 118.16 116.81 2bue n LYS 126 Ca -0.15 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 2bue n LYS 126 Cb 0.54 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2bue n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bue n GLY 127 N -1.26 1.25 0.25 0.72 0.00 -1.26 -4.93 105.19 99.96 2bue n GLY 127 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2bue n GLY 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bue h LEU 128 N 0.00 0.79 -0.59 0.99 5.85 -1.94 -2.17 115.31 118.24 2bue h LEU 128 Ca 0.00 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 2bue h LEU 128 Cb 0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2bue h LEU 128 CO 0.00 1.07 0.23 1.23 -0.34 0.00 0.00 178.44 180.63 2bue h GLY 129 N 0.94 0.95 0.93 3.75 0.00 -1.91 -0.41 103.07 107.30 2bue h GLY 129 Ca 0.06 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.88 2bue h GLY 129 CO 0.08 0.49 0.26 -0.84 0.00 0.00 0.00 176.54 176.54 2bue h THR 130 N 0.82 1.06 -0.53 4.70 2.02 -1.82 0.25 112.91 119.40 2bue h THR 130 Ca 0.19 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.24 2bue h THR 130 Cb 0.22 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2bue h THR 130 CO -0.01 0.10 0.26 0.11 0.37 0.00 0.00 175.52 176.34 2bue h LYS 131 N 0.53 0.48 0.11 6.66 1.57 -1.13 0.14 116.57 124.94 2bue h LYS 131 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2bue h LYS 131 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2bue h LYS 131 CO -0.07 0.32 -0.09 1.25 -0.57 0.00 0.00 179.45 180.29 2bue h LEU 132 N 0.50 -0.23 -0.50 2.94 5.85 -0.70 -0.95 115.31 122.22 2bue h LEU 132 Ca 0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2bue h LEU 132 Cb 0.17 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2bue h LEU 132 CO -0.18 -0.14 0.33 0.58 -0.34 0.00 0.00 178.44 178.69 2bue h VAL 133 N -0.21 1.13 -1.00 1.05 2.07 -0.71 -0.61 116.25 117.96 2bue h VAL 133 Ca -0.00 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2bue h VAL 133 Cb 0.19 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2bue h VAL 133 CO -0.01 0.13 0.66 0.03 0.02 0.00 0.00 177.57 178.40 2bue h ARG 134 N 0.68 1.29 -0.70 1.57 3.08 -0.79 0.51 114.38 120.02 2bue h ARG 134 Ca 0.18 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2bue h ARG 134 Cb -0.08 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 29.65 2bue h ARG 134 CO -0.04 0.86 0.15 0.00 -1.07 0.00 0.00 179.97 179.87 2bue h ALA 135 N 1.39 0.94 -0.46 0.04 0.00 -0.55 -0.82 119.26 119.79 2bue h ALA 135 Ca 0.38 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2bue h ALA 135 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2bue h ALA 135 CO -0.09 0.67 -0.12 1.25 0.00 0.00 0.00 179.25 180.96 2bue h LEU 136 N 1.07 0.90 -0.26 0.00 5.85 -0.45 -0.91 115.31 121.51 2bue h LEU 136 Ca 0.22 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2bue h LEU 136 Cb 0.40 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2bue h LEU 136 CO 0.01 1.06 0.13 0.58 -0.34 0.00 0.00 178.44 179.88 2bue h VAL 137 N 0.73 1.14 -0.40 1.05 2.07 -0.73 -1.16 116.25 118.95 2bue h VAL 137 Ca 0.12 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2bue h VAL 137 Cb 0.67 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2bue h VAL 137 CO 0.05 0.14 0.24 -0.08 0.02 0.00 0.00 177.57 177.94 2bue h GLU 138 N 0.30 0.48 -0.12 1.57 4.81 -1.06 -1.51 114.58 119.05 2bue h GLU 138 Ca 0.09 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2bue h GLU 138 Cb 0.10 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2bue h GLU 138 CO -0.01 0.32 -0.14 1.25 -0.73 0.00 0.00 179.01 179.70 2bue h LEU 139 N 0.50 -0.42 -0.59 1.64 5.85 -0.94 -1.65 115.31 119.68 2bue h LEU 139 Ca 0.16 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2bue h LEU 139 Cb -0.01 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2bue h LEU 139 CO -0.07 -0.18 0.39 -0.07 -0.34 0.00 0.00 178.44 178.17 2bue h LEU 140 N -0.17 0.69 -0.63 2.25 3.38 -0.99 -1.57 115.31 118.26 2bue h LEU 140 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2bue h LEU 140 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2bue h LEU 140 CO -0.22 0.51 0.00 0.49 0.09 0.00 0.00 178.44 179.30 2bue n PHE 141 N -4.66 0.75 1.41 1.13 3.72 -0.59 -1.41 117.46 117.81 2bue n PHE 141 Ca 0.04 0.29 0.13 0.00 -0.05 0.00 0.00 57.45 57.86 2bue n PHE 141 Cb 0.02 -0.97 0.71 0.00 -0.94 0.00 0.00 39.48 38.30 2bue n PHE 141 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2bue n ASN 142 N -2.18 0.00 -4.51 4.37 3.02 -0.59 -4.24 115.26 111.13 2bue n ASN 142 Ca 0.02 -0.39 -0.43 0.00 -0.03 0.00 0.00 54.58 53.75 2bue n ASN 142 Cb 0.23 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 2bue n ASN 142 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bue s ASP 143 N -2.34 6.30 0.31 6.41 -1.08 -0.50 -4.96 116.67 120.81 2bue s ASP 143 Ca 0.31 -0.41 0.22 0.00 -0.52 0.00 0.00 52.55 52.15 2bue s ASP 143 Cb 0.18 -2.30 1.13 0.00 -1.46 0.00 0.00 42.92 40.47 2bue s ASP 143 CO 0.36 -0.74 1.68 -0.81 0.52 0.00 0.00 175.17 176.17 2bue n PRO 144 N 6.14 0.16 0.18 4.34 -0.04 -1.26 -1.26 135.00 143.26 2bue n PRO 144 Ca -0.03 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 2bue n PRO 144 Cb 0.48 -1.94 0.42 0.00 -0.04 0.00 0.00 33.50 32.42 2bue n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2bue h GLU 145 N 0.00 0.00 -6.42 0.54 5.08 -1.91 -3.45 114.58 108.42 2bue h GLU 145 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2bue h GLU 145 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2bue h GLU 145 CO 0.00 0.00 0.34 0.08 -1.00 0.00 0.00 179.01 178.43 2bue s VAL 146 N -3.31 4.78 -0.10 3.13 1.01 -0.39 -4.39 120.40 121.14 2bue s VAL 146 Ca 0.06 2.00 0.11 0.00 0.00 0.00 0.00 61.98 64.14 2bue s VAL 146 Cb 0.09 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.03 2bue s VAL 146 CO 0.56 0.22 0.08 0.35 0.00 0.00 0.00 175.10 176.31 2bue n THR 147 N 3.56 0.66 -3.62 3.92 -2.24 -0.37 -4.88 114.28 111.31 2bue n THR 147 Ca 0.04 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2bue n THR 147 Cb 0.51 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 68.13 2bue n THR 147 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2bue s LYS 148 N -2.38 0.69 -0.10 -0.78 2.20 -1.25 -1.72 119.74 116.40 2bue s LYS 148 Ca -0.06 0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 56.18 2bue s LYS 148 Cb 0.04 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2bue s LYS 148 CO 0.48 -0.12 0.02 0.42 -0.36 0.00 0.00 175.35 175.80 2bue s ILE 149 N -0.02 4.46 0.24 5.43 -1.09 -0.07 -1.62 121.20 128.52 2bue s ILE 149 Ca 0.00 -0.19 0.10 0.00 -2.23 0.00 0.00 60.65 58.34 2bue s ILE 149 Cb -0.04 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.89 2bue s ILE 149 CO -0.01 0.59 -0.19 0.00 -1.23 0.00 0.00 174.94 174.10 2bue s GLN 150 N -0.69 1.53 0.16 2.79 -2.07 0.59 -0.93 119.66 121.05 2bue s GLN 150 Ca 0.11 -1.67 -0.10 0.00 -1.82 0.00 0.00 55.36 51.88 2bue s GLN 150 Cb -0.12 -1.56 -0.00 0.00 -1.09 0.00 0.00 33.01 30.24 2bue s GLN 150 CO 0.02 0.29 0.31 -0.08 -1.32 0.00 0.00 175.29 174.52 2bue s THR 151 N -2.53 0.06 -0.37 3.63 -1.32 0.04 -1.83 115.64 113.32 2bue s THR 151 Ca 0.26 -1.29 0.12 0.00 -1.21 0.00 0.00 61.69 59.57 2bue s THR 151 Cb -0.04 -1.77 0.37 0.00 -1.51 0.00 0.00 72.50 69.54 2bue s THR 151 CO 0.12 -0.29 0.86 -0.90 -2.21 0.00 0.00 174.62 172.19 2bue n ASP 152 N -0.22 0.39 -4.73 8.08 5.75 -1.26 -1.06 116.55 123.50 2bue n ASP 152 Ca -0.08 -3.02 -0.36 0.00 -0.01 0.00 0.00 54.79 51.31 2bue n ASP 152 Cb 0.63 -0.17 0.08 0.00 -1.03 0.00 0.00 41.12 40.62 2bue n ASP 152 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2bue s PRO 153 N -2.07 2.39 0.43 0.11 0.04 -1.23 -4.54 135.00 130.12 2bue s PRO 153 Ca 0.34 1.95 -0.25 0.00 0.04 0.00 0.00 61.00 63.08 2bue s PRO 153 Cb 0.37 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.97 2bue s PRO 153 CO -0.05 -1.69 1.25 0.45 0.04 0.00 0.00 177.00 177.00 2bue n SER 154 N -2.21 2.42 0.19 6.66 2.88 -1.26 -1.21 113.62 121.09 2bue n SER 154 Ca 0.15 1.09 0.17 0.00 -1.33 0.00 0.00 58.87 58.94 2bue n SER 154 Cb 0.49 -1.49 0.79 0.00 -0.75 0.00 0.00 64.21 63.25 2bue n SER 154 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2bue h PRO 155 N 1.98 0.00 0.00 -1.46 0.11 -1.91 -0.64 132.00 130.07 2bue h PRO 155 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2bue h PRO 155 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2bue h PRO 155 CO 0.59 0.00 -0.18 0.77 -0.21 0.00 0.00 178.00 178.97 2bue h SER 156 N 0.00 0.00 -1.49 -2.05 0.02 -1.95 -3.40 113.55 104.68 2bue h SER 156 Ca 0.10 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.29 2bue h SER 156 Cb 0.49 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.87 2bue h SER 156 CO -0.00 0.18 1.96 -3.20 -1.14 0.00 0.00 176.83 174.63 2bue n ASN 157 N -3.28 5.60 -0.01 3.07 2.85 -0.25 -4.80 115.26 118.45 2bue n ASN 157 Ca 0.01 -3.15 0.02 0.00 -0.11 0.00 0.00 54.58 51.35 2bue n ASN 157 Cb 0.45 -1.44 0.34 0.00 1.24 0.00 0.00 39.78 40.37 2bue n ASN 157 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2bue h LEU 158 N 7.31 0.51 -0.29 1.20 3.38 -1.81 -1.69 115.31 123.91 2bue h LEU 158 Ca 0.42 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 2bue h LEU 158 Cb 0.58 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2bue h LEU 158 CO 1.58 0.48 0.09 -0.09 0.09 0.00 0.00 178.44 180.59 2bue h ARG 159 N 0.56 0.46 -0.52 1.13 2.43 -1.97 -0.90 114.38 115.57 2bue h ARG 159 Ca 0.14 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2bue h ARG 159 Cb 0.14 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2bue h ARG 159 CO -0.01 0.52 0.26 0.00 -1.51 0.00 0.00 179.97 179.22 2bue h ALA 160 N 0.92 0.67 -0.34 2.80 0.00 -1.83 -0.93 119.26 120.54 2bue h ALA 160 Ca 0.09 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bue h ALA 160 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2bue h ALA 160 CO -0.00 0.23 0.15 0.82 0.00 0.00 0.00 179.25 180.44 2bue h ILE 161 N 0.69 0.95 -0.59 0.00 2.04 -1.12 -0.73 117.51 118.76 2bue h ILE 161 Ca 0.18 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2bue h ILE 161 Cb 0.11 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2bue h ILE 161 CO -0.02 0.06 0.25 -0.09 0.00 0.00 0.00 178.15 178.34 2bue h ARG 162 N 0.31 0.87 -0.36 2.37 9.65 -0.96 -1.12 114.38 125.14 2bue h ARG 162 Ca 0.15 -0.15 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 2bue h ARG 162 Cb 0.09 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 2bue h ARG 162 CO -0.13 0.74 0.08 0.00 2.80 0.00 0.00 179.97 183.46 2bue h TYR 164 N 0.21 1.01 -0.46 0.00 0.05 -0.83 -1.01 116.97 115.94 2bue h TYR 164 Ca 0.17 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.96 2bue h TYR 164 Cb 0.18 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 2bue h TYR 164 CO -0.18 0.69 0.28 0.93 -1.05 0.00 0.00 178.16 178.83 2bue h GLU 165 N 1.03 0.54 -0.16 4.88 5.08 -0.76 -0.87 114.58 124.31 2bue h GLU 165 Ca 0.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2bue h GLU 165 Cb -0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2bue h GLU 165 CO -0.05 0.36 0.07 0.87 -1.00 0.00 0.00 179.01 179.26 2bue h LYS 166 N 0.56 0.22 -0.13 2.33 1.57 -0.47 -1.33 116.57 119.32 2bue h LYS 166 Ca 0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2bue h LYS 166 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2bue h LYS 166 CO -0.08 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 2bue n ALA 167 N -2.51 2.53 0.00 3.86 0.00 -0.44 -4.91 120.51 119.04 2bue n ALA 167 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2bue n ALA 167 Cb 0.11 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2bue n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bue n GLY 168 N 0.95 0.88 3.84 0.00 0.00 -0.50 -4.78 105.19 105.58 2bue n GLY 168 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2bue n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bue s PHE 169 N -2.00 3.36 -0.08 1.61 0.08 -0.39 -4.63 117.98 115.93 2bue s PHE 169 Ca 0.00 1.38 0.04 0.00 0.12 0.00 0.00 56.93 58.47 2bue s PHE 169 Cb 0.00 -2.67 -0.00 0.00 -0.57 0.00 0.00 43.02 39.77 2bue s PHE 169 CO 0.00 -0.04 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.64 2bue s GLU 170 N -3.22 2.70 0.14 0.44 2.02 0.41 -4.14 118.70 117.05 2bue s GLU 170 Ca 0.57 -0.83 -0.31 0.00 0.02 0.00 0.00 54.97 54.43 2bue s GLU 170 Cb -0.10 -2.13 -0.10 0.00 0.10 0.00 0.00 34.13 31.91 2bue s GLU 170 CO 0.18 0.23 1.60 1.03 0.02 0.00 0.00 175.26 178.31 2bue s ARG 171 N 0.21 4.21 -0.27 1.61 0.52 -1.26 -1.62 118.95 122.35 2bue s ARG 171 Ca -0.13 2.36 -0.12 0.00 -0.52 0.00 0.00 55.73 57.32 2bue s ARG 171 Cb -0.16 -3.28 -0.12 0.00 0.52 0.00 0.00 34.95 31.91 2bue s ARG 171 CO 0.07 -0.65 -0.33 1.04 0.02 0.00 0.00 175.30 175.45 2bue n GLN 172 N 4.42 0.57 -3.57 3.54 1.13 0.61 -4.97 117.38 119.12 2bue n GLN 172 Ca 0.14 0.24 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 2bue n GLN 172 Cb 0.39 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.29 2bue n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bue n GLY 173 N 1.42 -1.71 3.74 1.08 0.00 -1.21 -5.01 105.19 103.49 2bue n GLY 173 Ca -0.52 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2bue n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bue s THR 174 N -2.53 5.18 0.10 2.61 2.01 -1.26 -0.50 115.64 121.25 2bue s THR 174 Ca 0.00 0.87 0.07 0.00 0.31 0.00 0.00 61.69 62.95 2bue s THR 174 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2bue s THR 174 CO 0.00 0.38 -0.19 0.68 -0.69 0.00 0.00 174.62 174.80 2bue s VAL 175 N 0.32 1.58 -0.23 3.82 -7.23 -0.16 -4.94 120.40 113.56 2bue s VAL 175 Ca 0.24 -1.55 -0.22 0.00 -1.81 0.00 0.00 61.98 58.64 2bue s VAL 175 Cb -0.15 -1.49 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 2bue s VAL 175 CO 0.10 -0.14 0.72 -0.89 -0.31 0.00 0.00 175.10 174.58 2bue s THR 176 N -1.34 4.93 0.35 5.32 2.01 -1.26 -0.33 115.64 125.31 2bue s THR 176 Ca 0.06 1.36 0.08 0.00 0.31 0.00 0.00 61.69 63.49 2bue s THR 176 Cb -0.09 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 2bue s THR 176 CO 0.04 0.01 -0.04 0.42 -0.69 0.00 0.00 174.62 174.36 2bue s THR 177 N 2.46 1.94 0.66 -0.82 -4.23 -0.66 -4.96 115.64 110.03 2bue s THR 177 Ca 0.31 -2.11 0.35 0.00 -1.18 0.00 0.00 61.69 59.06 2bue s THR 177 Cb -0.16 -2.72 0.36 0.00 1.34 0.00 0.00 72.50 71.32 2bue s THR 177 CO 0.09 -0.14 2.09 -0.65 -0.54 0.00 0.00 174.62 175.47 2bue h PRO 178 N 2.01 0.00 -0.63 3.99 0.11 -1.93 0.62 132.00 136.17 2bue h PRO 178 Ca -0.42 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 2bue h PRO 178 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2bue h PRO 178 CO 0.73 0.00 0.09 -0.25 -0.21 0.00 0.00 178.00 178.35 2bue n ASP 179 N -3.06 5.47 0.00 -2.05 8.00 -1.26 -5.06 116.55 118.58 2bue n ASP 179 Ca -0.02 -3.03 0.00 0.00 0.71 0.00 0.00 54.79 52.45 2bue n ASP 179 Cb 0.28 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 2bue n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bue n GLY 180 N 0.36 -2.74 3.74 0.44 0.00 0.21 -4.93 105.19 102.27 2bue n GLY 180 Ca 0.32 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2bue n GLY 180 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bue n PRO 181 N -0.16 2.36 -4.09 1.61 -0.02 -1.26 -1.65 135.00 131.80 2bue n PRO 181 Ca 0.00 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.21 2bue n PRO 181 Cb 0.00 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 30.86 2bue n PRO 181 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bue s ALA 182 N -1.13 0.63 -0.50 3.55 0.00 0.55 -4.39 121.76 120.48 2bue s ALA 182 Ca 0.56 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 2bue s ALA 182 Cb -0.51 0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2bue s ALA 182 CO 0.62 -0.18 0.81 0.08 0.00 0.00 0.00 175.76 177.08 2bue s VAL 183 N -2.66 4.60 -0.08 0.00 1.01 -0.35 -0.99 120.40 121.93 2bue s VAL 183 Ca -0.00 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2bue s VAL 183 Cb -0.01 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2bue s VAL 183 CO -0.04 -0.88 1.20 -0.47 0.00 0.00 0.00 175.10 174.92 2bue s TYR 184 N 3.39 3.15 0.03 5.22 5.04 0.34 -3.54 117.35 130.98 2bue s TYR 184 Ca 0.27 1.20 0.05 0.00 -2.44 0.00 0.00 57.07 56.16 2bue s TYR 184 Cb -0.14 -3.42 -0.02 0.00 0.35 0.00 0.00 41.96 38.73 2bue s TYR 184 CO 0.19 -1.31 -0.16 -1.64 -1.34 0.00 0.00 175.55 171.29 2bue s MET 185 N 2.44 1.13 0.05 4.97 -1.94 -0.22 -0.28 119.30 125.45 2bue s MET 185 Ca 0.55 -0.76 -0.00 0.00 -1.71 0.00 0.00 55.69 53.77 2bue s MET 185 Cb -0.24 -1.16 -0.04 0.00 2.01 0.00 0.00 34.83 35.41 2bue s MET 185 CO 0.20 0.30 -0.04 0.14 -0.01 0.00 0.00 175.02 175.61 2bue s VAL 186 N -0.72 0.27 -0.10 -6.03 -7.23 -0.64 -0.78 120.40 105.17 2bue s VAL 186 Ca 0.04 -1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 58.57 2bue s VAL 186 Cb -0.08 -1.24 0.04 0.00 0.56 0.00 0.00 36.38 35.67 2bue s VAL 186 CO 0.01 -0.85 0.06 -1.58 -0.31 0.00 0.00 175.10 172.43 2bue s GLN 187 N -3.30 0.08 0.55 4.82 0.74 -0.10 -0.44 119.66 122.00 2bue s GLN 187 Ca 0.02 0.15 -0.07 0.00 0.05 0.00 0.00 55.36 55.51 2bue s GLN 187 Cb 0.03 -1.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.03 2bue s GLN 187 CO -0.07 -0.46 0.89 0.95 -0.55 0.00 0.00 175.29 176.05 2bue s THR 188 N 2.12 4.54 0.24 -0.34 -4.23 -1.26 -0.90 115.64 115.81 2bue s THR 188 Ca 0.04 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 2bue s THR 188 Cb -0.14 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.16 2bue s THR 188 CO -0.06 -0.84 1.88 -0.09 -0.54 0.00 0.00 174.62 174.98 2bue h ARG 189 N -0.04 1.26 -0.80 3.99 2.43 -1.68 -1.86 114.38 117.68 2bue h ARG 189 Ca -0.46 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 58.61 2bue h ARG 189 Cb 1.21 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 2bue h ARG 189 CO 0.62 0.88 0.52 0.37 -1.51 0.00 0.00 179.97 180.85 2bue h GLN 190 N 1.28 1.02 -0.56 0.20 4.15 -1.94 -0.66 115.11 118.60 2bue h GLN 190 Ca 0.33 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 2bue h GLN 190 Cb -0.05 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.38 2bue h GLN 190 CO -0.06 0.68 0.33 0.00 -1.93 0.00 0.00 178.83 177.84 2bue h ALA 191 N 1.30 0.72 -0.45 3.38 0.00 -1.83 -0.96 119.26 121.41 2bue h ALA 191 Ca 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2bue h ALA 191 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2bue h ALA 191 CO -0.08 0.22 0.28 0.35 0.00 0.00 0.00 179.25 180.02 2bue h PHE 192 N 0.76 0.59 -0.03 0.00 3.57 -0.75 -1.56 116.94 119.52 2bue h PHE 192 Ca 0.20 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2bue h PHE 192 Cb 0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2bue h PHE 192 CO -0.02 0.40 -0.03 0.93 -2.23 0.00 0.00 178.31 177.36 2bue h GLU 193 N 0.61 -0.04 -0.43 1.11 5.08 -0.93 -2.76 114.58 117.22 2bue h GLU 193 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2bue h GLU 193 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2bue h GLU 193 CO -0.03 -0.03 0.27 0.00 -1.00 0.00 0.00 179.01 178.22 2bue h ARG 194 N -0.04 0.58 -0.12 2.33 3.08 -0.92 -2.56 114.38 116.72 2bue h ARG 194 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2bue h ARG 194 Cb 0.07 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2bue h ARG 194 CO -0.05 0.40 0.00 0.25 -1.07 0.00 0.00 179.97 179.50 2bue n THR 195 N -4.45 0.14 0.18 2.04 -2.24 -0.61 -4.05 114.28 105.28 2bue n THR 195 Ca 0.03 -0.35 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 2bue n THR 195 Cb 0.07 0.53 0.31 0.00 -2.10 0.00 0.00 70.33 69.14 2bue n THR 195 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2bue h ARG 196 N 2.57 0.00 -3.78 -0.78 2.47 -1.17 -3.45 114.38 110.23 2bue h ARG 196 Ca 0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 2bue h ARG 196 Cb 0.56 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.70 2bue h ARG 196 CO 0.00 0.44 -0.50 -1.54 0.56 0.00 0.00 179.97 178.93 2bue s SER 197 N -6.63 0.16 0.00 7.04 1.04 -1.26 -5.02 113.70 109.04 2bue s SER 197 Ca -0.01 -0.54 0.30 0.00 0.48 0.00 0.00 55.95 56.18 2bue s SER 197 Cb 0.12 0.25 1.80 0.00 0.10 0.00 0.00 66.02 68.29 2bue s SER 197 CO 0.71 -0.54 2.14 0.47 0.98 0.00 0.00 173.24 177.00 2bue n ASP 198 N 0.65 0.00 0.00 7.02 8.00 -1.26 -4.98 116.55 125.98 2bue n ASP 198 Ca -0.18 -0.92 0.13 0.00 0.71 0.00 0.00 54.79 54.52 2bue n ASP 198 Cb 0.59 -0.01 0.75 0.00 -0.02 0.00 0.00 41.12 42.43 2bue n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81