#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 s SER 2 N 0.00 -0.23 0.03 1.61 0.01 -1.26 -5.16 113.70 108.70 1x67 s SER 2 Ca 0.00 0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.45 1x67 s SER 2 Cb 0.00 1.00 -0.06 0.00 0.21 0.00 0.00 66.02 67.17 1x67 s SER 2 CO 0.00 -0.06 0.58 -0.94 0.41 0.00 0.00 173.24 173.22 1x67 s SER 3 N 1.02 7.01 0.00 2.44 1.04 -1.26 -4.93 113.70 119.02 1x67 s SER 3 Ca -0.07 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.56 1x67 s SER 3 Cb -0.03 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1x67 s SER 3 CO -0.12 0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1x67 n GLY 4 N 2.11 2.39 1.63 7.32 0.00 -1.26 -5.11 105.19 112.27 1x67 n GLY 4 Ca -0.09 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1x67 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x67 n SER 5 N 0.00 -1.13 -4.62 1.61 2.88 -1.26 -5.10 113.62 106.00 1x67 n SER 5 Ca 0.00 0.28 -0.39 0.00 -1.33 0.00 0.00 58.87 57.42 1x67 n SER 5 Cb 0.00 1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 64.72 1x67 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x67 s SER 6 N -2.00 6.36 0.00 -3.46 0.15 -1.26 -4.87 113.70 108.62 1x67 s SER 6 Ca 0.00 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1x67 s SER 6 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1x67 s SER 6 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1x67 n GLY 7 N 4.44 -1.80 3.73 9.45 0.00 -1.26 -5.15 105.19 114.59 1x67 n GLY 7 Ca -0.06 0.72 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 1x67 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x67 s MET 8 N 0.00 4.62 -0.25 1.61 -1.94 -1.26 -5.04 119.30 117.05 1x67 s MET 8 Ca 0.00 1.55 -0.26 0.00 -1.71 0.00 0.00 55.69 55.28 1x67 s MET 8 Cb 0.00 -3.36 0.07 0.00 2.01 0.00 0.00 34.83 33.55 1x67 s MET 8 CO 0.00 0.09 0.73 0.00 -0.01 0.00 0.00 175.02 175.83 1x67 s ALA 9 N 0.19 -1.79 0.64 3.03 0.00 -1.26 -4.56 121.76 118.01 1x67 s ALA 9 Ca 0.49 1.96 -0.17 0.00 0.00 0.00 0.00 51.96 54.25 1x67 s ALA 9 Cb -0.25 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1x67 s ALA 9 CO 0.31 -0.34 1.19 0.00 0.00 0.00 0.00 175.76 176.92 1x67 s ALA 10 N 0.24 2.42 -0.03 0.00 0.00 -1.26 -4.85 121.76 118.27 1x67 s ALA 10 Ca -0.01 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1x67 s ALA 10 Cb -0.05 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1x67 s ALA 10 CO 0.02 -1.36 -0.07 -1.71 0.00 0.00 0.00 175.76 172.63 1x67 n ASN 11 N -2.02 0.40 -2.10 0.00 5.15 -1.26 -4.98 115.26 110.45 1x67 n ASN 11 Ca 0.13 0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 53.97 1x67 n ASN 11 Cb 0.50 -0.51 -0.04 0.00 -0.53 0.00 0.00 39.78 39.20 1x67 n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x67 n LEU 12 N -2.90 -1.80 -0.11 1.20 4.32 -1.26 -4.86 117.00 111.58 1x67 n LEU 12 Ca -0.03 0.17 -0.25 0.00 -0.02 0.00 0.00 56.01 55.89 1x67 n LEU 12 Cb 0.10 -2.92 -0.11 0.00 -1.62 0.00 0.00 43.42 38.87 1x67 n LEU 12 CO 0.04 -0.54 -1.08 -0.24 -1.22 0.00 0.00 177.39 174.36 1x67 n SER 13 N -1.77 1.94 -0.04 -1.43 2.88 -1.26 -3.53 113.62 110.41 1x67 n SER 13 Ca -0.23 0.30 -0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1x67 n SER 13 Cb 0.69 -0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 63.31 1x67 n SER 13 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x67 h ARG 14 N -0.78 -0.20 -1.56 -1.46 3.08 -1.93 -2.40 114.38 109.12 1x67 h ARG 14 Ca -0.55 0.01 -0.69 0.00 0.07 0.00 0.00 59.98 58.82 1x67 h ARG 14 Cb 1.59 0.05 -0.32 0.00 0.08 0.00 0.00 29.97 31.36 1x67 h ARG 14 CO -0.27 -0.13 0.49 0.09 -1.07 0.00 0.00 179.97 179.08 1x67 n ASN 15 N -5.35 6.78 0.03 7.04 3.02 -1.26 -4.83 115.26 120.69 1x67 n ASN 15 Ca -0.01 -3.80 -0.03 0.00 -0.03 0.00 0.00 54.58 50.71 1x67 n ASN 15 Cb 0.27 -0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 38.56 1x67 n ASN 15 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1x67 h GLY 16 N 2.61 -1.05 0.20 7.41 0.00 -1.47 0.24 103.07 111.01 1x67 h GLY 16 Ca 0.51 0.47 0.11 0.00 0.00 0.00 0.00 47.33 48.41 1x67 h GLY 16 CO 1.30 -0.37 0.10 -2.55 0.00 0.00 0.00 176.54 175.01 1x67 h PRO 17 N -0.16 0.22 -0.12 4.80 0.11 -1.88 0.17 132.00 135.14 1x67 h PRO 17 Ca -0.01 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1x67 h PRO 17 Cb 0.15 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1x67 h PRO 17 CO -0.04 0.14 -0.00 0.00 -0.21 0.00 0.00 178.00 177.90 1x67 h ALA 18 N 1.46 0.10 -0.32 -0.75 0.00 -1.91 0.87 119.26 118.71 1x67 h ALA 18 Ca 0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x67 h ALA 18 Cb 0.43 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1x67 h ALA 18 CO -0.40 -0.46 0.21 -0.07 0.00 0.00 0.00 179.25 178.54 1x67 h LEU 19 N 0.04 0.38 -1.74 0.00 3.38 0.12 -1.88 115.31 115.61 1x67 h LEU 19 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1x67 h LEU 19 Cb 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1x67 h LEU 19 CO -0.10 0.28 -0.16 -0.61 0.09 0.00 0.00 178.44 177.95 1x67 h GLN 20 N 0.43 0.00 -0.16 1.13 5.75 -0.71 -2.73 115.11 118.82 1x67 h GLN 20 Ca 0.12 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 1x67 h GLN 20 Cb -0.04 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1x67 h GLN 20 CO -0.02 0.16 -0.07 1.49 -2.65 0.00 0.00 178.83 177.74 1x67 h GLU 21 N 0.00 0.32 0.00 1.69 4.81 -0.05 0.20 114.58 121.54 1x67 h GLU 21 Ca -0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1x67 h GLU 21 Cb 0.30 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1x67 h GLU 21 CO 0.02 0.63 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 1x67 h ALA 22 N 0.68 1.00 0.00 2.92 0.00 -1.10 -1.07 119.26 121.69 1x67 h ALA 22 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1x67 h ALA 22 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1x67 h ALA 22 CO 0.02 0.00 -1.26 0.98 0.00 0.00 0.00 179.25 179.00 1x67 n TYR 23 N -2.98 0.64 0.29 0.00 4.19 -1.05 -3.85 117.16 114.39 1x67 n TYR 23 Ca -0.02 0.28 0.18 0.00 3.31 0.00 0.00 57.90 61.65 1x67 n TYR 23 Cb 0.12 -0.89 0.97 0.00 0.49 0.00 0.00 39.34 40.02 1x67 n TYR 23 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 1x67 h VAL 24 N -1.00 0.24 0.03 2.97 3.04 -0.52 -2.09 116.25 118.93 1x67 h VAL 24 Ca -0.26 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1x67 h VAL 24 Cb 1.09 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1x67 h VAL 24 CO -0.16 0.00 -0.02 0.03 -1.01 0.00 0.00 177.57 176.41 1x67 h ARG 25 N 0.00 -0.04 -0.91 4.17 3.08 -1.37 -1.48 114.38 117.83 1x67 h ARG 25 Ca 0.03 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.22 1x67 h ARG 25 Cb 0.30 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 1x67 h ARG 25 CO -0.00 0.58 0.58 0.28 -1.07 0.00 0.00 179.97 180.34 1x67 h VAL 26 N -0.72 0.85 0.00 2.04 2.07 -1.49 0.70 116.25 119.70 1x67 h VAL 26 Ca -0.00 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1x67 h VAL 26 Cb 0.64 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1x67 h VAL 26 CO 0.01 0.14 -0.45 -0.37 0.02 0.00 0.00 177.57 176.91 1x67 h VAL 27 N 0.75 0.78 -3.48 2.57 -1.51 -1.55 -3.43 116.25 110.39 1x67 h VAL 27 Ca 0.46 -2.09 -0.68 0.00 -1.23 0.00 0.00 66.70 63.16 1x67 h VAL 27 Cb 0.68 2.37 -0.18 0.00 -2.13 0.00 0.00 31.29 32.04 1x67 h VAL 27 CO -0.22 0.44 -0.07 -0.89 -1.23 0.00 0.00 177.57 175.60 1x67 s THR 28 N -3.00 4.98 0.10 7.19 2.01 0.24 -4.91 115.64 122.25 1x67 s THR 28 Ca 0.04 -0.30 0.34 0.00 0.31 0.00 0.00 61.69 62.08 1x67 s THR 28 Cb 0.07 -4.14 0.39 0.00 0.01 0.00 0.00 72.50 68.83 1x67 s THR 28 CO 0.74 -0.56 1.99 1.05 -0.69 0.00 0.00 174.62 177.15 1x67 h GLU 29 N 8.83 0.00 -0.83 4.92 4.11 -1.83 -3.09 114.58 126.69 1x67 h GLU 29 Ca -0.26 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.32 1x67 h GLU 29 Cb 1.10 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 1x67 h GLU 29 CO 0.86 0.00 0.40 -0.22 0.07 0.00 0.00 179.01 180.12 1x67 h LYS 30 N 0.00 0.54 -6.27 1.06 1.63 -1.91 -3.42 116.57 108.20 1x67 h LYS 30 Ca 0.00 -0.03 -0.45 0.00 -0.85 0.00 0.00 60.65 59.32 1x67 h LYS 30 Cb 0.49 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1x67 h LYS 30 CO 0.00 0.36 -0.37 -1.12 -3.45 0.00 0.00 179.45 174.86 1x67 s SER 31 N -5.38 6.16 -0.78 4.20 0.01 -1.17 -5.04 113.70 111.69 1x67 s SER 31 Ca -0.12 -0.02 -0.26 0.00 1.31 0.00 0.00 55.95 56.85 1x67 s SER 31 Cb 0.22 -1.59 0.03 0.00 0.21 0.00 0.00 66.02 64.89 1x67 s SER 31 CO 0.78 -0.25 1.31 -2.16 0.41 0.00 0.00 173.24 173.33 1x67 s PRO 32 N -4.09 3.24 -0.30 12.44 0.04 -1.26 -4.91 135.00 140.15 1x67 s PRO 32 Ca 0.39 -0.35 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 1x67 s PRO 32 Cb -0.09 -4.35 0.19 0.00 0.04 0.00 0.00 34.50 30.28 1x67 s PRO 32 CO 0.30 -2.17 0.64 0.99 0.04 0.00 0.00 177.00 176.80 1x67 s THR 33 N 5.69 -0.94 -0.13 1.26 2.01 -1.26 -4.36 115.64 117.92 1x67 s THR 33 Ca 0.37 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.55 1x67 s THR 33 Cb -0.07 -0.99 -0.26 0.00 0.01 0.00 0.00 72.50 71.19 1x67 s THR 33 CO 0.11 0.00 0.21 -0.67 -0.69 0.00 0.00 174.62 173.58 1x67 n ASP 34 N 5.43 0.37 -3.30 3.53 -0.08 0.29 -4.37 116.55 118.42 1x67 n ASP 34 Ca -0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1x67 n ASP 34 Cb 0.52 1.33 -0.08 0.00 2.34 0.00 0.00 41.12 45.23 1x67 n ASP 34 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 1x67 s TRP 35 N -2.81 1.77 -0.30 -0.67 1.48 -0.97 -1.69 118.94 115.75 1x67 s TRP 35 Ca -0.09 -1.67 -0.13 0.00 -1.06 0.00 0.00 56.10 53.15 1x67 s TRP 35 Cb 0.08 -0.70 0.15 0.00 -1.16 0.00 0.00 33.47 31.84 1x67 s TRP 35 CO 0.80 -0.89 0.88 0.00 -4.06 0.00 0.00 176.95 173.67 1x67 s ALA 36 N -3.39 -2.48 -0.14 2.67 0.00 -0.88 -4.01 121.76 113.53 1x67 s ALA 36 Ca 0.41 2.15 -0.04 0.00 0.00 0.00 0.00 51.96 54.48 1x67 s ALA 36 Cb 0.02 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1x67 s ALA 36 CO 0.28 -0.94 -0.01 -1.17 0.00 0.00 0.00 175.76 173.93 1x67 s LEU 37 N 2.58 3.44 -0.14 0.00 2.96 -0.40 -0.94 118.68 126.17 1x67 s LEU 37 Ca -0.04 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1x67 s LEU 37 Cb -0.08 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1x67 s LEU 37 CO -0.18 0.24 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.60 1x67 s PHE 38 N -0.03 2.05 0.26 5.38 0.40 -0.69 -0.23 117.98 125.13 1x67 s PHE 38 Ca 0.03 -1.15 0.04 0.00 -0.60 0.00 0.00 56.93 55.25 1x67 s PHE 38 Cb -0.13 -1.53 -0.06 0.00 0.51 0.00 0.00 43.02 41.82 1x67 s PHE 38 CO 0.02 -0.64 0.01 -0.08 0.70 0.00 0.00 175.22 175.22 1x67 s THR 39 N 1.53 1.17 1.02 0.64 -1.32 -0.26 -2.07 115.64 116.34 1x67 s THR 39 Ca 0.05 -2.04 -0.12 0.00 -1.21 0.00 0.00 61.69 58.36 1x67 s THR 39 Cb -0.13 -2.49 0.20 0.00 -1.51 0.00 0.00 72.50 68.57 1x67 s THR 39 CO -0.10 -0.22 1.08 -0.31 -2.21 0.00 0.00 174.62 172.85 1x67 s TYR 40 N -3.32 1.95 -0.11 9.09 2.02 -1.26 -0.11 117.35 125.60 1x67 s TYR 40 Ca 0.31 1.12 -0.05 0.00 -0.37 0.00 0.00 57.07 58.07 1x67 s TYR 40 Cb 0.06 -3.21 -0.02 0.00 -0.40 0.00 0.00 41.96 38.40 1x67 s TYR 40 CO 0.11 -3.03 -0.11 1.49 -1.57 0.00 0.00 175.55 172.44 1x67 h GLU 41 N -2.00 0.00 0.00 -0.62 4.81 -1.77 -3.43 114.58 111.57 1x67 h GLU 41 Ca -0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1x67 h GLU 41 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1x67 h GLU 41 CO 0.55 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.24 1x67 n GLY 42 N 1.69 2.78 1.85 1.92 0.00 -1.26 -5.02 105.19 107.15 1x67 n GLY 42 Ca -0.04 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1x67 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x67 n ASN 43 N 0.00 4.81 -4.02 1.61 3.02 -1.26 -5.02 115.26 114.41 1x67 n ASN 43 Ca 0.00 -3.78 -0.10 0.00 -0.03 0.00 0.00 54.58 50.68 1x67 n ASN 43 Cb 0.00 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x67 s SER 44 N -3.18 0.02 -0.43 6.41 1.04 -1.26 -5.11 113.70 111.18 1x67 s SER 44 Ca 0.51 -0.98 -0.28 0.00 0.48 0.00 0.00 55.95 55.68 1x67 s SER 44 Cb 0.42 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 67.01 1x67 s SER 44 CO 0.02 -0.96 1.58 0.20 0.98 0.00 0.00 173.24 175.05 1x67 s ASN 45 N -3.02 6.06 -0.33 7.02 0.01 -1.26 -4.60 114.94 118.82 1x67 s ASN 45 Ca 0.23 0.84 -0.08 0.00 -0.71 0.00 0.00 52.86 53.13 1x67 s ASN 45 Cb 0.03 -2.54 0.21 0.00 0.41 0.00 0.00 41.25 39.36 1x67 s ASN 45 CO 0.05 -1.66 1.12 -1.81 -1.51 0.00 0.00 177.10 173.29 1x67 s ASP 46 N 5.10 -0.20 0.36 -1.22 1.01 -1.26 -4.37 116.67 116.10 1x67 s ASP 46 Ca 0.66 -0.22 -0.28 0.00 0.71 0.00 0.00 52.55 53.42 1x67 s ASP 46 Cb -0.16 0.26 -0.11 0.00 1.01 0.00 0.00 42.92 43.93 1x67 s ASP 46 CO 0.31 -0.01 1.46 -0.63 0.21 0.00 0.00 175.17 176.50 1x67 s ILE 47 N 1.14 2.18 0.04 0.77 -1.09 -1.26 -2.75 121.20 120.23 1x67 s ILE 47 Ca 0.22 0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.69 1x67 s ILE 47 Cb 0.12 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.90 1x67 s ILE 47 CO -0.12 0.04 0.27 0.00 -1.23 0.00 0.00 174.94 173.90 1x67 s ARG 48 N -1.95 0.76 0.43 2.79 1.70 0.84 -4.42 118.95 119.10 1x67 s ARG 48 Ca 0.53 -0.52 -0.24 0.00 -0.47 0.00 0.00 55.73 55.02 1x67 s ARG 48 Cb -0.45 0.33 -0.11 0.00 -0.57 0.00 0.00 34.95 34.15 1x67 s ARG 48 CO 0.60 -0.24 0.93 0.28 -1.08 0.00 0.00 175.30 175.80 1x67 n VAL 49 N 0.66 2.40 0.00 4.99 0.31 -1.26 -1.10 118.33 124.33 1x67 n VAL 49 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1x67 n VAL 49 Cb 0.59 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1x67 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x67 n ALA 50 N -0.61 1.95 -3.63 3.52 0.00 0.68 -4.65 120.51 117.78 1x67 n ALA 50 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1x67 n ALA 50 Cb 0.39 0.31 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 1x67 n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x67 s GLY 51 N -3.23 0.03 -0.14 0.00 0.00 -1.13 -4.97 107.32 97.86 1x67 s GLY 51 Ca 0.00 2.72 -0.13 0.00 0.00 0.00 0.00 44.72 47.32 1x67 s GLY 51 CO 0.00 1.23 0.38 -0.51 0.00 0.00 0.00 173.10 174.20 1x67 s THR 52 N -0.85 -0.00 -0.00 0.90 -4.23 -1.26 -1.28 115.64 108.91 1x67 s THR 52 Ca 0.06 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.28 1x67 s THR 52 Cb -0.02 -0.53 0.12 0.00 1.34 0.00 0.00 72.50 73.41 1x67 s THR 52 CO -0.07 0.00 1.26 -0.83 -0.54 0.00 0.00 174.62 174.45 1x67 s GLY 53 N 0.33 -0.40 -0.34 3.99 0.00 -1.26 -5.02 107.32 104.63 1x67 s GLY 53 Ca -0.01 0.64 0.09 0.00 0.00 0.00 0.00 44.72 45.44 1x67 s GLY 53 CO -0.01 0.20 1.75 -2.21 0.00 0.00 0.00 173.10 172.83 1x67 n GLU 54 N -0.50 2.98 0.21 2.90 2.13 -1.26 -0.55 120.64 126.56 1x67 n GLU 54 Ca -0.08 -3.07 0.08 0.00 0.66 0.00 0.00 57.16 54.74 1x67 n GLU 54 Cb 0.63 -2.11 0.45 0.00 0.27 0.00 0.00 31.44 30.68 1x67 n GLU 54 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x67 h GLY 55 N 1.90 0.00 0.00 8.31 0.00 -1.95 -3.44 103.07 107.89 1x67 h GLY 55 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1x67 h GLY 55 CO 0.74 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.89 1x67 n GLY 56 N -0.12 0.11 0.09 4.60 0.00 -1.26 -4.42 105.19 104.18 1x67 n GLY 56 Ca -0.01 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 1x67 n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x67 h LEU 57 N 0.00 0.00 -1.37 0.99 3.38 -1.95 -2.89 115.31 113.47 1x67 h LEU 57 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1x67 h LEU 57 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1x67 h LEU 57 CO 0.00 0.84 -0.16 -0.33 0.09 0.00 0.00 178.44 178.88 1x67 h GLU 58 N 0.00 0.21 0.17 1.13 5.08 -1.97 -1.99 114.58 117.21 1x67 h GLU 58 Ca -0.09 -0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 57.87 1x67 h GLU 58 Cb 1.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1x67 h GLU 58 CO 0.09 0.38 -1.76 1.49 -1.00 0.00 0.00 179.01 178.22 1x67 h GLU 59 N 0.20 0.35 -0.28 2.33 4.57 -1.77 -3.21 114.58 116.77 1x67 h GLU 59 Ca 0.04 -0.60 0.03 0.00 -1.18 0.00 0.00 59.36 57.65 1x67 h GLU 59 Cb 0.42 0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1x67 h GLU 59 CO 0.03 1.26 0.10 1.98 -1.18 0.00 0.00 179.01 181.20 1x67 h MET 60 N 0.10 0.22 0.00 1.92 4.05 -1.37 -1.55 114.93 118.30 1x67 h MET 60 Ca -0.34 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.01 1x67 h MET 60 Cb 2.08 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.82 1x67 h MET 60 CO 0.16 0.15 -0.24 -0.39 0.23 0.00 0.00 176.91 176.82 1x67 h VAL 61 N 0.23 0.99 0.00 -5.77 -1.51 -1.52 -2.23 116.25 106.45 1x67 h VAL 61 Ca 0.12 -0.88 -0.09 0.00 -1.23 0.00 0.00 66.70 64.62 1x67 h VAL 61 Cb 0.08 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 1x67 h VAL 61 CO -0.12 0.24 -0.45 -0.33 -1.23 0.00 0.00 177.57 175.68 1x67 h GLU 62 N 0.00 0.00 0.05 5.19 4.39 -1.31 -2.97 114.58 119.93 1x67 h GLU 62 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1x67 h GLU 62 Cb 0.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1x67 h GLU 62 CO 0.03 0.45 -1.16 0.93 -1.16 0.00 0.00 179.01 178.10 1x67 h GLU 63 N 0.00 0.11 -6.31 2.33 4.39 -0.80 -3.46 114.58 110.84 1x67 h GLU 63 Ca -0.00 -0.19 -0.65 0.00 0.34 0.00 0.00 59.36 58.86 1x67 h GLU 63 Cb 0.83 0.07 0.04 0.00 -0.10 0.00 0.00 28.75 29.59 1x67 h GLU 63 CO 0.06 1.06 0.81 1.28 -1.16 0.00 0.00 179.01 181.06 1x67 n LEU 64 N -3.40 2.68 -4.32 1.33 4.77 -0.99 -4.94 117.00 112.13 1x67 n LEU 64 Ca -0.05 1.06 -0.39 0.00 -0.03 0.00 0.00 56.01 56.60 1x67 n LEU 64 Cb 0.98 -1.30 -0.12 0.00 -2.33 0.00 0.00 43.42 40.66 1x67 n LEU 64 CO 0.49 -0.45 -0.21 0.20 -1.33 0.00 0.00 177.39 176.10 1x67 s ASN 65 N 2.15 5.50 -0.64 -1.43 -0.87 -1.26 -5.02 114.94 113.38 1x67 s ASN 65 Ca 0.88 -1.07 -0.26 0.00 -1.57 0.00 0.00 52.86 50.84 1x67 s ASN 65 Cb -0.83 -1.94 -0.07 0.00 -0.02 0.00 0.00 41.25 38.39 1x67 s ASN 65 CO 0.49 -0.35 2.20 -0.94 -2.57 0.00 0.00 177.10 175.93 1x67 s SER 66 N 1.47 4.65 0.00 -1.22 1.04 -1.26 -2.49 113.70 115.89 1x67 s SER 66 Ca 0.00 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1x67 s SER 66 Cb -0.19 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1x67 s SER 66 CO 0.05 -2.93 0.00 0.61 0.98 0.00 0.00 173.24 171.95 1x67 n GLY 67 N 6.19 0.27 3.06 7.32 0.00 -1.26 -4.63 105.19 116.15 1x67 n GLY 67 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 1x67 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x67 s LYS 68 N 0.00 1.33 0.07 1.61 1.02 -1.04 -4.04 119.74 118.69 1x67 s LYS 68 Ca 0.00 -0.44 -0.31 0.00 0.02 0.00 0.00 55.97 55.25 1x67 s LYS 68 Cb 0.00 -1.19 -0.07 0.00 -0.52 0.00 0.00 37.83 36.04 1x67 s LYS 68 CO 0.00 0.16 1.49 0.08 -0.92 0.00 0.00 175.35 176.16 1x67 s VAL 69 N 0.15 3.30 0.29 3.17 1.01 -1.26 -4.28 120.40 122.77 1x67 s VAL 69 Ca -0.04 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1x67 s VAL 69 Cb -0.10 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1x67 s VAL 69 CO 0.01 0.02 0.25 -0.04 0.00 0.00 0.00 175.10 175.35 1x67 s MET 70 N 2.00 1.59 -0.08 2.72 -1.94 -1.07 -4.56 119.30 117.95 1x67 s MET 70 Ca 0.68 -1.85 0.00 0.00 -1.71 0.00 0.00 55.69 52.80 1x67 s MET 70 Cb -0.36 0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.82 1x67 s MET 70 CO 0.30 -0.58 -0.06 0.71 -0.01 0.00 0.00 175.02 175.37 1x67 s TYR 71 N -3.66 1.16 -0.18 -0.03 1.51 -0.88 -2.02 117.35 113.26 1x67 s TYR 71 Ca 0.39 -0.48 -0.06 0.00 -1.01 0.00 0.00 57.07 55.91 1x67 s TYR 71 Cb 0.04 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1x67 s TYR 71 CO 0.22 -0.36 0.03 0.00 -1.11 0.00 0.00 175.55 174.32 1x67 s ALA 72 N 1.40 3.26 -0.42 3.71 0.00 -0.99 -1.70 121.76 127.03 1x67 s ALA 72 Ca -0.02 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1x67 s ALA 72 Cb -0.13 -1.83 0.12 0.00 0.00 0.00 0.00 23.12 21.27 1x67 s ALA 72 CO -0.04 0.12 0.16 0.12 0.00 0.00 0.00 175.76 176.13 1x67 s PHE 73 N 0.49 2.97 0.51 0.00 5.36 -0.11 -2.05 117.98 125.14 1x67 s PHE 73 Ca 0.01 -2.79 0.06 0.00 -0.96 0.00 0.00 56.93 53.25 1x67 s PHE 73 Cb -0.13 -2.54 0.04 0.00 -0.34 0.00 0.00 43.02 40.05 1x67 s PHE 73 CO 0.01 -0.84 0.70 0.00 -1.46 0.00 0.00 175.22 173.64 1x67 s ARG 75 N -4.59 0.16 0.43 0.00 3.52 -0.68 -3.12 118.95 114.68 1x67 s ARG 75 Ca 0.58 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 56.36 1x67 s ARG 75 Cb -0.09 -1.32 -0.02 0.00 -1.56 0.00 0.00 34.95 31.95 1x67 s ARG 75 CO 0.37 -0.66 0.10 0.14 -0.81 0.00 0.00 175.30 174.43 1x67 s VAL 76 N 2.29 0.77 -0.05 7.11 -7.23 -1.21 -4.95 120.40 117.13 1x67 s VAL 76 Ca 0.06 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1x67 s VAL 76 Cb -0.16 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1x67 s VAL 76 CO -0.11 0.00 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.99 1x67 s LYS 77 N -3.75 2.64 0.86 4.82 -2.85 -1.26 -0.23 119.74 119.96 1x67 s LYS 77 Ca 0.20 -0.62 -0.11 0.00 -1.00 0.00 0.00 55.97 54.44 1x67 s LYS 77 Cb 0.03 -2.51 0.11 0.00 -2.06 0.00 0.00 37.83 33.39 1x67 s LYS 77 CO 0.12 0.64 1.10 -0.51 0.10 0.00 0.00 175.35 176.80 1x67 s ASP 78 N -0.88 3.72 -0.05 0.03 1.11 -0.96 -4.87 116.67 114.77 1x67 s ASP 78 Ca 0.13 1.71 -0.25 0.00 0.18 0.00 0.00 52.55 54.32 1x67 s ASP 78 Cb -0.11 -2.37 -0.23 0.00 1.07 0.00 0.00 42.92 41.28 1x67 s ASP 78 CO 0.02 -2.52 1.05 1.55 1.18 0.00 0.00 175.17 176.45 1x67 h PRO 79 N -1.46 0.15 0.00 8.23 0.13 -1.92 -2.49 132.00 134.63 1x67 h PRO 79 Ca -0.47 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 64.38 1x67 h PRO 79 Cb 1.26 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1x67 h PRO 79 CO 0.51 0.86 -0.92 -0.91 -0.23 0.00 0.00 178.00 177.32 1x67 h ASN 80 N -0.51 0.00 -0.69 1.44 2.35 -1.94 -3.38 115.58 112.85 1x67 h ASN 80 Ca -0.02 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1x67 h ASN 80 Cb 0.92 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1x67 h ASN 80 CO 0.04 1.18 0.41 0.77 -1.65 0.00 0.00 177.43 178.18 1x67 h SER 81 N -1.00 0.84 -0.92 5.81 4.64 -1.97 -3.45 113.55 117.49 1x67 h SER 81 Ca -0.20 -0.05 -0.40 0.00 -0.47 0.00 0.00 61.79 60.67 1x67 h SER 81 Cb 0.96 -0.21 -0.16 0.00 -0.31 0.00 0.00 62.40 62.68 1x67 h SER 81 CO -0.12 0.65 -0.36 0.61 -0.87 0.00 0.00 176.83 176.74 1x67 n GLY 82 N -1.30 1.87 3.80 -0.77 0.00 -0.94 -4.91 105.19 102.95 1x67 n GLY 82 Ca 0.07 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1x67 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x67 s LEU 83 N -4.41 3.85 -0.34 0.99 1.43 -1.26 -4.69 118.68 114.24 1x67 s LEU 83 Ca 0.00 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.75 1x67 s LEU 83 Cb 0.00 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1x67 s LEU 83 CO 0.00 0.10 1.72 -2.16 0.23 0.00 0.00 176.35 176.24 1x67 s PRO 84 N -2.87 3.40 0.52 1.29 0.04 -1.26 -2.27 135.00 133.85 1x67 s PRO 84 Ca 0.31 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1x67 s PRO 84 Cb -0.11 -4.16 0.05 0.00 0.04 0.00 0.00 34.50 30.32 1x67 s PRO 84 CO 0.23 -1.78 0.57 0.15 0.04 0.00 0.00 177.00 176.22 1x67 s LYS 85 N 5.48 2.37 -0.06 4.56 -0.14 0.68 -4.98 119.74 127.65 1x67 s LYS 85 Ca 0.76 -1.72 0.02 0.00 -1.36 0.00 0.00 55.97 53.67 1x67 s LYS 85 Cb -0.21 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1x67 s LYS 85 CO 0.34 -0.61 -0.11 -0.06 -0.76 0.00 0.00 175.35 174.14 1x67 s PHE 86 N -2.64 1.38 -0.12 3.18 0.08 -1.26 -3.32 117.98 115.28 1x67 s PHE 86 Ca 0.49 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 57.06 1x67 s PHE 86 Cb -0.04 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 1x67 s PHE 86 CO 0.30 -0.27 -0.18 0.08 -0.10 0.00 0.00 175.22 175.06 1x67 s VAL 87 N 0.71 2.64 -0.34 -0.44 1.01 -1.18 -0.12 120.40 122.68 1x67 s VAL 87 Ca -0.14 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1x67 s VAL 87 Cb -0.16 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1x67 s VAL 87 CO 0.03 0.54 0.10 -0.22 0.00 0.00 0.00 175.10 175.55 1x67 s LEU 88 N 0.34 4.36 -0.20 3.92 2.96 -1.05 -3.16 118.68 125.84 1x67 s LEU 88 Ca -0.14 -1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 52.41 1x67 s LEU 88 Cb -0.17 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1x67 s LEU 88 CO 0.07 -0.34 0.11 -0.63 -1.32 0.00 0.00 176.35 174.24 1x67 s ILE 89 N 1.35 5.21 -1.19 6.68 1.01 -0.87 -1.09 121.20 132.30 1x67 s ILE 89 Ca -0.01 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 1x67 s ILE 89 Cb -0.20 -3.38 0.21 0.00 0.01 0.00 0.00 42.46 39.10 1x67 s ILE 89 CO 0.01 0.43 1.46 0.59 0.00 0.00 0.00 174.94 177.44 1x67 n ASN 90 N 3.63 5.39 -4.65 3.58 3.02 0.40 -2.35 115.26 124.27 1x67 n ASN 90 Ca -0.16 -3.06 -0.50 0.00 -0.03 0.00 0.00 54.58 50.83 1x67 n ASN 90 Cb 0.52 -1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.16 1x67 n ASN 90 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1x67 n TRP 91 N 4.16 2.01 -3.43 3.10 -0.00 -0.85 -3.74 117.44 118.69 1x67 n TRP 91 Ca 0.33 0.37 -0.28 0.00 -0.00 0.00 0.00 57.50 57.93 1x67 n TRP 91 Cb 0.40 -2.49 -0.11 0.00 -0.00 0.00 0.00 31.31 29.11 1x67 n TRP 91 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1x67 s THR 92 N 1.76 0.19 0.33 5.87 2.01 -1.15 -2.60 115.64 122.04 1x67 s THR 92 Ca 0.86 -2.00 -0.27 0.00 0.31 0.00 0.00 61.69 60.59 1x67 s THR 92 Cb -0.83 -1.15 -0.13 0.00 0.01 0.00 0.00 72.50 70.41 1x67 s THR 92 CO 0.47 -1.06 1.09 0.61 -0.69 0.00 0.00 174.62 175.04 1x67 n GLY 93 N 3.65 -0.00 0.28 4.40 0.00 -1.25 -4.29 105.19 107.98 1x67 n GLY 93 Ca 0.18 0.29 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 1x67 n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x67 h GLU 94 N 2.07 0.67 -0.52 1.61 5.08 -1.88 -2.55 114.58 119.07 1x67 h GLU 94 Ca -0.42 -0.17 0.15 0.00 -1.00 0.00 0.00 59.36 57.91 1x67 h GLU 94 Cb 1.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1x67 h GLU 94 CO 0.60 0.70 0.47 0.78 -1.00 0.00 0.00 179.01 180.57 1x67 h GLY 95 N 0.93 0.00 -6.33 -3.84 0.00 -1.86 -3.40 103.07 88.57 1x67 h GLY 95 Ca 0.13 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.89 1x67 h GLY 95 CO 0.02 0.00 1.25 0.14 0.00 0.00 0.00 176.54 177.95 1x67 s VAL 96 N -4.74 3.40 0.43 4.60 1.01 -0.96 -4.93 120.40 119.21 1x67 s VAL 96 Ca -0.04 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 1x67 s VAL 96 Cb 0.17 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1x67 s VAL 96 CO 0.61 -0.21 0.95 -0.46 0.00 0.00 0.00 175.10 175.99 1x67 n ASN 97 N 9.41 0.97 -0.35 3.32 6.94 -1.26 -4.70 115.26 129.59 1x67 n ASN 97 Ca 0.22 1.01 0.12 0.00 -0.02 0.00 0.00 54.58 55.91 1x67 n ASN 97 Cb 0.45 -1.32 0.30 0.00 -2.36 0.00 0.00 39.78 36.85 1x67 n ASN 97 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1x67 h ASP 98 N 1.40 0.81 -0.47 0.53 1.82 -1.91 0.25 116.42 118.83 1x67 h ASP 98 Ca -0.44 0.09 0.14 0.00 -0.39 0.00 0.00 57.03 56.42 1x67 h ASP 98 Cb 1.35 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.28 1x67 h ASP 98 CO 0.56 0.32 0.42 0.58 -1.61 0.00 0.00 179.24 179.50 1x67 h VAL 99 N 0.81 0.53 0.13 2.25 2.07 -2.01 -0.44 116.25 119.58 1x67 h VAL 99 Ca 0.56 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.75 1x67 h VAL 99 Cb 0.81 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1x67 h VAL 99 CO -0.36 0.00 -1.74 -0.09 0.02 0.00 0.00 177.57 175.40 1x67 h ARG 100 N 0.00 0.28 -0.93 1.57 9.65 -0.85 -3.28 114.38 120.81 1x67 h ARG 100 Ca 0.23 -0.47 0.18 0.00 -1.10 0.00 0.00 59.98 58.82 1x67 h ARG 100 Cb 1.05 0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.73 1x67 h ARG 100 CO -0.00 1.14 0.60 0.87 2.80 0.00 0.00 179.97 185.38 1x67 h LYS 101 N 0.08 0.57 0.00 0.20 1.57 -0.56 0.34 116.57 118.77 1x67 h LYS 101 Ca -0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1x67 h LYS 101 Cb 2.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1x67 h LYS 101 CO 0.14 0.38 -0.16 0.78 -0.57 0.00 0.00 179.45 180.02 1x67 h GLY 102 N 0.59 0.00 1.27 3.86 0.00 -1.62 -2.94 103.07 104.23 1x67 h GLY 102 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.60 1x67 h GLY 102 CO -0.24 0.00 -1.39 0.00 0.00 0.00 0.00 176.54 174.91 1x67 h ALA 103 N 2.05 0.65 0.00 3.60 0.00 -0.57 -3.34 119.26 121.66 1x67 h ALA 103 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 54.91 53.67 1x67 h ALA 103 Cb 0.97 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1x67 h ALA 103 CO 0.00 1.27 -0.74 0.00 0.00 0.00 0.00 179.25 179.78 1x67 h ALA 105 N 1.43 1.44 -0.60 0.00 0.00 -1.63 -0.32 119.26 119.58 1x67 h ALA 105 Ca -0.04 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1x67 h ALA 105 Cb 1.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1x67 h ALA 105 CO 0.07 0.29 0.41 0.77 0.00 0.00 0.00 179.25 180.79 1x67 h SER 106 N 1.04 0.21 0.80 0.00 0.02 -1.74 0.96 113.55 114.84 1x67 h SER 106 Ca 0.47 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.25 1x67 h SER 106 Cb 0.37 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1x67 h SER 106 CO -0.23 0.12 -0.83 0.45 -1.14 0.00 0.00 176.83 175.19 1x67 h HIS 107 N 0.23 0.03 -0.85 3.45 3.86 -1.26 -3.21 115.15 117.39 1x67 h HIS 107 Ca 0.29 -0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.66 1x67 h HIS 107 Cb 0.80 -0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.21 1x67 h HIS 107 CO -0.00 0.84 0.57 0.28 0.86 0.00 0.00 177.93 180.48 1x67 h VAL 108 N 0.01 0.73 -0.56 2.45 2.07 -0.54 0.15 116.25 120.55 1x67 h VAL 108 Ca -0.01 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1x67 h VAL 108 Cb 1.47 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1x67 h VAL 108 CO 0.11 0.08 0.20 -1.28 0.02 0.00 0.00 177.57 176.70 1x67 h SER 109 N 0.43 0.76 0.08 0.57 0.87 -1.56 0.24 113.55 114.94 1x67 h SER 109 Ca 0.44 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.79 1x67 h SER 109 Cb 1.03 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1x67 h SER 109 CO -0.16 0.70 -0.46 0.74 -0.53 0.00 0.00 176.83 177.12 1x67 h THR 110 N 0.81 1.63 -0.31 2.23 2.02 -0.98 -3.23 112.91 115.08 1x67 h THR 110 Ca 0.19 -2.43 -0.01 0.00 0.77 0.00 0.00 66.41 64.93 1x67 h THR 110 Cb 0.20 3.26 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 1x67 h THR 110 CO -0.01 0.66 0.16 0.24 0.37 0.00 0.00 175.52 176.94 1x67 h MET 111 N -0.63 0.44 -0.90 6.66 2.07 -0.93 -2.38 114.93 119.27 1x67 h MET 111 Ca -0.08 -0.06 0.16 0.00 -2.07 0.00 0.00 59.70 57.65 1x67 h MET 111 Cb 1.35 -0.08 -0.10 0.00 -1.87 0.00 0.00 31.60 30.90 1x67 h MET 111 CO 0.09 0.40 0.49 0.00 1.07 0.00 0.00 176.91 178.95 1x67 h ALA 112 N 1.02 1.40 -0.42 6.32 0.00 -0.66 0.42 119.26 127.33 1x67 h ALA 112 Ca 0.11 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1x67 h ALA 112 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1x67 h ALA 112 CO -0.02 -0.07 -0.17 1.03 0.00 0.00 0.00 179.25 180.03 1x67 h SER 113 N 0.67 0.80 0.76 0.00 0.87 -1.50 -3.27 113.55 111.89 1x67 h SER 113 Ca 0.50 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1x67 h SER 113 Cb 0.73 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1x67 h SER 113 CO -0.37 0.97 -0.37 0.15 -0.53 0.00 0.00 176.83 176.68 1x67 h PHE 114 N 0.71 -0.95 0.00 2.24 3.57 -0.48 -3.28 116.94 118.75 1x67 h PHE 114 Ca 0.11 -0.02 -0.63 0.00 3.53 0.00 0.00 57.97 60.95 1x67 h PHE 114 Cb 0.67 0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.73 1x67 h PHE 114 CO 0.04 -0.59 3.39 1.28 -2.23 0.00 0.00 178.31 180.20 1x67 n LEU 115 N -5.46 7.42 -4.69 0.59 4.77 -0.30 -4.93 117.00 114.40 1x67 n LEU 115 Ca -0.13 -3.99 -0.29 0.00 -0.03 0.00 0.00 56.01 51.57 1x67 n LEU 115 Cb 0.41 -1.49 0.19 0.00 -2.33 0.00 0.00 43.42 40.20 1x67 n LEU 115 CO 0.31 1.46 0.67 -0.54 -1.33 0.00 0.00 177.39 177.96 1x67 s LYS 116 N 2.80 0.01 0.00 3.23 -0.14 -1.24 -4.06 119.74 120.34 1x67 s LYS 116 Ca 0.59 0.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 1x67 s LYS 116 Cb 0.16 -1.72 0.00 0.00 -1.68 0.00 0.00 37.83 34.59 1x67 s LYS 116 CO -0.05 -2.94 0.00 0.41 -0.76 0.00 0.00 175.35 172.00 1x67 n GLY 117 N -1.48 3.23 3.52 -3.33 0.00 -1.26 -4.98 105.19 100.89 1x67 n GLY 117 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1x67 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x67 n ALA 118 N -1.20 0.79 0.22 4.61 0.00 -1.26 -4.39 120.51 119.30 1x67 n ALA 118 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 53.44 52.93 1x67 n ALA 118 Cb 0.00 -2.87 0.53 0.00 0.00 0.00 0.00 19.45 17.11 1x67 n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x67 h HIS 119 N 16.36 0.00 -2.71 0.00 3.86 -0.90 -3.41 115.15 128.35 1x67 h HIS 119 Ca -0.21 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.70 1x67 h HIS 119 Cb 1.29 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.40 1x67 h HIS 119 CO 0.99 0.24 -0.61 0.08 0.86 0.00 0.00 177.93 179.48 1x67 s VAL 120 N -4.09 -0.32 -0.41 2.45 1.01 -1.23 -5.08 120.40 112.73 1x67 s VAL 120 Ca -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 1x67 s VAL 120 Cb 0.13 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1x67 s VAL 120 CO 0.65 -0.07 0.49 -0.89 0.00 0.00 0.00 175.10 175.28 1x67 s THR 121 N 2.33 5.02 -0.12 3.92 2.01 -1.26 -2.53 115.64 125.01 1x67 s THR 121 Ca 0.05 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 1x67 s THR 121 Cb -0.14 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1x67 s THR 121 CO -0.10 -0.40 0.05 -0.63 -0.69 0.00 0.00 174.62 172.85 1x67 s ILE 122 N 2.34 4.70 -0.73 1.82 1.01 -0.25 -5.00 121.20 125.08 1x67 s ILE 122 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1x67 s ILE 122 Cb -0.16 -3.03 0.19 0.00 0.01 0.00 0.00 42.46 39.46 1x67 s ILE 122 CO 0.15 0.57 0.58 0.20 0.00 0.00 0.00 174.94 176.43 1x67 s ASN 123 N -0.54 5.64 0.51 3.58 0.01 -1.26 -0.46 114.94 122.42 1x67 s ASN 123 Ca 0.10 -3.09 0.05 0.00 -0.71 0.00 0.00 52.86 49.21 1x67 s ASN 123 Cb -0.12 -1.91 0.09 0.00 0.41 0.00 0.00 41.25 39.71 1x67 s ASN 123 CO 0.02 -0.34 0.67 0.00 -1.51 0.00 0.00 177.10 175.94 1x67 n ALA 124 N 3.20 0.72 0.00 0.60 0.00 -1.25 -4.95 120.51 118.84 1x67 n ALA 124 Ca 0.13 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1x67 n ALA 124 Cb 0.39 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1x67 n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x67 n ARG 125 N -2.12 0.00 -3.19 0.00 3.00 -1.26 -2.94 116.66 110.15 1x67 n ARG 125 Ca 0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.79 1x67 n ARG 125 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 32.46 32.66 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x67 s ALA 126 N -1.25 4.39 0.23 7.54 0.00 -1.26 -3.84 121.76 127.57 1x67 s ALA 126 Ca 0.00 -1.57 0.22 0.00 0.00 0.00 0.00 51.96 50.61 1x67 s ALA 126 Cb 0.00 -1.67 0.92 0.00 0.00 0.00 0.00 23.12 22.37 1x67 s ALA 126 CO 0.00 -0.19 1.84 0.93 0.00 0.00 0.00 175.76 178.34 1x67 h GLU 127 N 0.73 0.00 0.00 0.00 5.08 -1.96 -2.62 114.58 115.80 1x67 h GLU 127 Ca -0.42 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 1x67 h GLU 127 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1x67 h GLU 127 CO 0.48 0.28 -0.26 0.93 -1.00 0.00 0.00 179.01 179.44 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 5.08 -2.01 -2.92 114.58 116.23 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1x67 h GLU 128 Cb 0.71 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 1x67 h GLU 128 CO 0.04 0.26 0.26 -0.25 -1.00 0.00 0.00 179.01 178.32 1x67 n ASP 129 N -3.33 4.15 -0.96 1.42 9.92 -0.99 -3.98 116.55 122.79 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 -0.53 0.00 0.00 54.79 51.26 1x67 n ASP 129 Cb 0.49 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 40.25 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1x67 n VAL 130 N -0.16 0.00 -1.74 2.53 0.24 -1.10 -4.64 118.33 113.46 1x67 n VAL 130 Ca 0.35 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.05 1x67 n VAL 130 Cb 1.21 0.55 0.05 0.00 -1.47 0.00 0.00 33.84 34.18 1x67 n VAL 130 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x67 s GLU 131 N 0.00 2.88 0.17 7.34 8.01 -1.23 -4.83 118.70 131.04 1x67 s GLU 131 Ca 0.10 0.68 -0.22 0.00 0.01 0.00 0.00 54.97 55.54 1x67 s GLU 131 Cb 0.12 -2.01 0.08 0.00 -4.31 0.00 0.00 34.13 28.01 1x67 s GLU 131 CO -0.05 -1.07 1.60 -1.35 0.01 0.00 0.00 175.26 174.40 1x67 h PRO 132 N -0.68 -0.21 -0.54 0.39 0.11 -1.94 0.08 132.00 129.21 1x67 h PRO 132 Ca -0.45 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 1x67 h PRO 132 Cb 1.23 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1x67 h PRO 132 CO 0.61 -0.14 -0.07 1.05 -0.21 0.00 0.00 178.00 179.24 1x67 h GLU 133 N -0.22 0.97 0.00 1.05 4.11 -1.97 0.19 114.58 118.71 1x67 h GLU 133 Ca 0.19 -0.33 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 1x67 h GLU 133 Cb 0.53 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1x67 h GLU 133 CO -0.56 0.99 -0.01 0.00 0.07 0.00 0.00 179.01 179.50 1x67 n ILE 135 N -3.98 1.59 0.25 0.00 5.41 -0.11 -4.23 119.36 118.30 1x67 n ILE 135 Ca -0.03 -0.40 0.07 0.00 1.00 0.00 0.00 62.75 63.39 1x67 n ILE 135 Cb 0.10 -1.79 0.61 0.00 -0.71 0.00 0.00 39.64 37.84 1x67 n ILE 135 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1x67 h MET 136 N -0.49 0.00 0.00 0.38 2.86 -0.44 -0.58 114.93 116.65 1x67 h MET 136 Ca -0.50 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.10 1x67 h MET 136 Cb 1.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.36 1x67 h MET 136 CO -0.15 0.05 -0.19 0.93 1.06 0.00 0.00 176.91 178.61 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -1.06 -2.65 114.58 116.98 1x67 h GLU 137 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1x67 h GLU 137 Cb 0.09 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1x67 h GLU 137 CO 0.01 0.19 -1.83 1.63 -1.16 0.00 0.00 179.01 177.85 1x67 n LYS 138 N -3.85 0.65 -0.22 2.33 5.02 -0.39 -4.22 118.16 117.47 1x67 n LYS 138 Ca -0.02 0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1x67 n LYS 138 Cb 0.28 -1.67 0.14 0.00 -0.02 0.00 0.00 35.03 33.76 1x67 n LYS 138 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x67 h VAL 139 N 0.00 1.24 -0.25 -0.18 2.07 -0.82 -2.30 116.25 116.00 1x67 h VAL 139 Ca -0.26 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1x67 h VAL 139 Cb 1.73 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1x67 h VAL 139 CO 0.04 0.30 0.06 0.00 0.02 0.00 0.00 177.57 177.99 1x67 h ALA 140 N 1.30 1.64 -1.62 1.67 0.00 -1.67 -3.42 119.26 117.16 1x67 h ALA 140 Ca 0.24 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.43 1x67 h ALA 140 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1x67 h ALA 140 CO -0.02 0.28 1.47 0.45 0.00 0.00 0.00 179.25 181.43 1x67 n SER 141 N -4.39 2.79 -4.52 0.00 2.88 -0.87 -4.94 113.62 104.57 1x67 n SER 141 Ca 0.01 0.25 -0.21 0.00 -1.33 0.00 0.00 58.87 57.59 1x67 n SER 141 Cb 0.16 -1.45 0.02 0.00 -0.75 0.00 0.00 64.21 62.19 1x67 n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x67 n GLY 142 N 6.08 2.48 3.75 0.46 0.00 -1.26 -5.01 105.19 111.69 1x67 n GLY 142 Ca 0.35 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1x67 n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x67 s PRO 143 N -4.10 1.68 0.76 1.61 0.04 -1.26 -5.00 135.00 128.73 1x67 s PRO 143 Ca 0.37 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 1x67 s PRO 143 Cb -0.03 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1x67 s PRO 143 CO 0.23 -1.95 1.22 -1.54 0.04 0.00 0.00 177.00 175.00 1x67 s SER 144 N -3.55 3.91 0.01 6.66 1.04 -1.26 -5.04 113.70 115.47 1x67 s SER 144 Ca 0.62 2.40 -0.04 0.00 0.48 0.00 0.00 55.95 59.41 1x67 s SER 144 Cb -0.17 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.35 1x67 s SER 144 CO 0.56 -2.46 0.07 -0.94 0.98 0.00 0.00 173.24 171.46 1x67 s SER 145 N -2.01 0.11 0.00 7.02 1.04 -1.26 -5.34 113.70 113.27 1x67 s SER 145 Ca 0.75 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1x67 s SER 145 Cb -0.30 0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1x67 s SER 145 CO 0.47 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.96