#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 h SER 2 N 0.00 -0.16 -2.98 1.61 0.87 -2.14 -3.49 113.55 107.26 1x67 h SER 2 Ca 0.00 -0.36 0.31 0.00 -1.23 0.00 0.00 61.79 60.52 1x67 h SER 2 Cb 0.00 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 61.92 1x67 h SER 2 CO 0.00 0.32 -0.41 -0.24 -0.53 0.00 0.00 176.83 175.96 1x67 n SER 3 N -4.96 -7.71 -1.24 6.23 2.88 -1.26 -5.05 113.62 102.52 1x67 n SER 3 Ca -0.08 1.23 -0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1x67 n SER 3 Cb 0.26 -3.47 -0.00 0.00 -0.75 0.00 0.00 64.21 60.25 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x67 n GLY 4 N -3.42 -3.05 3.01 0.46 0.00 -1.26 -5.03 105.19 95.90 1x67 n GLY 4 Ca 0.01 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1x67 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x67 s SER 5 N -0.04 4.57 -0.32 1.61 1.04 -1.26 -5.07 113.70 114.23 1x67 s SER 5 Ca -0.01 -1.85 -0.27 0.00 0.48 0.00 0.00 55.95 54.30 1x67 s SER 5 Cb 0.00 -1.52 -0.05 0.00 0.10 0.00 0.00 66.02 64.54 1x67 s SER 5 CO 0.02 -0.32 2.25 -0.44 0.98 0.00 0.00 173.24 175.72 1x67 s SER 6 N 1.04 5.16 0.00 7.02 0.01 -1.26 -4.77 113.70 120.90 1x67 s SER 6 Ca 0.04 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1x67 s SER 6 Cb -0.19 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1x67 s SER 6 CO -0.08 -2.24 0.00 0.61 0.41 0.00 0.00 173.24 171.94 1x67 n GLY 7 N 5.82 3.56 3.51 3.44 0.00 -1.26 -5.12 105.19 115.14 1x67 n GLY 7 Ca 0.31 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.86 3.43 0.03 1.61 -1.94 -1.26 -5.07 119.30 114.24 1x67 s MET 8 Ca 0.00 -0.68 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 1x67 s MET 8 Cb 0.00 -3.77 -0.02 0.00 2.01 0.00 0.00 34.83 33.05 1x67 s MET 8 CO 0.00 -0.46 -0.05 0.00 -0.01 0.00 0.00 175.02 174.50 1x67 s ALA 9 N 1.70 0.31 -0.08 3.03 0.00 -1.26 -4.63 121.76 120.83 1x67 s ALA 9 Ca 0.06 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 1x67 s ALA 9 Cb -0.17 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1x67 s ALA 9 CO 0.10 -0.12 1.58 0.00 0.00 0.00 0.00 175.76 177.31 1x67 s ALA 10 N -1.60 3.61 -0.34 0.00 0.00 -1.26 -4.77 121.76 117.40 1x67 s ALA 10 Ca -0.12 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1x67 s ALA 10 Cb -0.09 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 1x67 s ALA 10 CO -0.01 -1.38 0.48 1.21 0.00 0.00 0.00 175.76 176.06 1x67 s ASN 11 N 3.14 6.30 -0.23 0.00 2.47 -1.26 -4.87 114.94 120.48 1x67 s ASN 11 Ca 0.70 0.00 0.13 0.00 0.42 0.00 0.00 52.86 54.11 1x67 s ASN 11 Cb -0.31 -2.25 0.46 0.00 -1.45 0.00 0.00 41.25 37.70 1x67 s ASN 11 CO 0.27 -0.42 1.37 0.18 -3.72 0.00 0.00 177.10 174.77 1x67 n LEU 12 N 5.64 3.56 -0.07 3.21 4.32 -1.26 -2.44 117.00 129.96 1x67 n LEU 12 Ca -0.06 -3.52 -0.22 0.00 -0.02 0.00 0.00 56.01 52.19 1x67 n LEU 12 Cb 0.49 -0.57 -0.12 0.00 -1.62 0.00 0.00 43.42 41.60 1x67 n LEU 12 CO 0.43 1.07 -0.91 -0.24 -1.22 0.00 0.00 177.39 176.52 1x67 n SER 13 N -1.04 2.00 -0.02 -1.43 2.88 -1.26 -3.19 113.62 111.57 1x67 n SER 13 Ca 0.26 0.23 -0.09 0.00 -1.33 0.00 0.00 58.87 57.94 1x67 n SER 13 Cb 0.89 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.40 -0.13 -0.91 -1.46 3.08 -1.93 -2.29 114.38 110.34 1x67 h ARG 14 Ca -0.47 0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.01 1x67 h ARG 14 Cb 1.74 0.03 -0.29 0.00 0.08 0.00 0.00 29.97 31.53 1x67 h ARG 14 CO -0.10 -0.08 0.54 0.09 -1.07 0.00 0.00 179.97 179.34 1x67 n ASN 15 N -5.27 5.88 0.04 7.04 3.02 -1.26 -4.77 115.26 119.94 1x67 n ASN 15 Ca -0.03 -3.74 -0.04 0.00 -0.03 0.00 0.00 54.58 50.74 1x67 n ASN 15 Cb 0.19 -0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 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 1.67 -1.11 0.17 7.41 0.00 -1.37 0.11 103.07 109.95 1x67 h GLY 16 Ca 0.55 0.51 0.23 0.00 0.00 0.00 0.00 47.33 48.62 1x67 h GLY 16 CO 1.27 -0.38 0.63 -2.55 0.00 0.00 0.00 176.54 175.50 1x67 h PRO 17 N -0.21 0.35 0.57 4.80 0.11 -1.86 0.25 132.00 136.00 1x67 h PRO 17 Ca -0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1x67 h PRO 17 Cb 0.21 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.24 1x67 h PRO 17 CO -0.06 0.23 -0.28 0.00 -0.21 0.00 0.00 178.00 177.68 1x67 h ALA 18 N 1.60 -0.81 0.16 -0.75 0.00 -1.80 -1.58 119.26 116.07 1x67 h ALA 18 Ca 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x67 h ALA 18 Cb 1.33 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1x67 h ALA 18 CO -0.18 -0.75 -0.11 -0.07 0.00 0.00 0.00 179.25 178.13 1x67 h LEU 19 N -1.14 -0.29 -0.71 0.00 3.38 -0.33 -2.53 115.31 113.69 1x67 h LEU 19 Ca -0.08 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1x67 h LEU 19 Cb 0.59 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1x67 h LEU 19 CO 0.13 -0.18 0.27 -0.61 0.09 0.00 0.00 178.44 178.13 1x67 h GLN 20 N -0.28 0.41 0.01 1.13 4.15 -0.64 -0.24 115.11 119.66 1x67 h GLN 20 Ca -0.01 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1x67 h GLN 20 Cb 0.24 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 1x67 h GLN 20 CO 0.00 0.27 -0.25 1.49 -1.93 0.00 0.00 178.83 178.41 1x67 h GLU 21 N 0.42 -0.38 0.00 1.69 4.81 -0.95 0.28 114.58 120.46 1x67 h GLU 21 Ca 0.38 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1x67 h GLU 21 Cb 0.55 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1x67 h GLU 21 CO -0.38 -0.25 -0.08 0.00 -0.73 0.00 0.00 179.01 177.57 1x67 h ALA 22 N 0.44 1.37 0.00 2.92 0.00 -0.96 -1.35 119.26 121.69 1x67 h ALA 22 Ca 0.06 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1x67 h ALA 22 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1x67 h ALA 22 CO -0.21 0.10 -0.71 -0.92 0.00 0.00 0.00 179.25 177.51 1x67 h TYR 23 N 0.00 0.00 0.10 0.00 3.20 0.47 -2.97 116.97 117.77 1x67 h TYR 23 Ca -0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 1x67 h TYR 23 Cb 0.22 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1x67 h TYR 23 CO 0.00 0.58 -1.25 0.28 -1.64 0.00 0.00 178.16 176.13 1x67 h VAL 24 N 0.00 1.47 -0.06 1.81 2.07 0.55 -3.19 116.25 118.90 1x67 h VAL 24 Ca -0.03 -3.09 -0.04 0.00 0.82 0.00 0.00 66.70 64.36 1x67 h VAL 24 Cb 1.47 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.13 1x67 h VAL 24 CO 0.07 0.89 -0.12 0.03 0.02 0.00 0.00 177.57 178.46 1x67 h ARG 25 N 0.06 0.19 -0.34 1.57 3.08 -1.42 0.14 114.38 117.67 1x67 h ARG 25 Ca -0.13 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.87 1x67 h ARG 25 Cb 1.94 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 1x67 h ARG 25 CO 0.18 0.71 0.24 0.28 -1.07 0.00 0.00 179.97 180.30 1x67 h VAL 26 N -0.30 0.88 0.00 2.04 2.07 -1.65 -0.80 116.25 118.49 1x67 h VAL 26 Ca 0.00 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1x67 h VAL 26 Cb 0.70 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1x67 h VAL 26 CO 0.03 0.02 -1.30 1.33 0.02 0.00 0.00 177.57 177.66 1x67 n VAL 27 N -4.46 0.80 -3.34 2.57 0.24 -1.18 -4.73 118.33 108.23 1x67 n VAL 27 Ca 0.05 -0.61 -0.45 0.00 -2.04 0.00 0.00 64.34 61.29 1x67 n VAL 27 Cb 0.34 -0.46 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 1x67 n VAL 27 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x67 s THR 28 N -3.19 5.17 0.60 3.34 2.01 0.50 -4.91 115.64 119.16 1x67 s THR 28 Ca -0.02 -1.05 0.43 0.00 0.31 0.00 0.00 61.69 61.35 1x67 s THR 28 Cb 0.10 -4.19 0.44 0.00 0.01 0.00 0.00 72.50 68.85 1x67 s THR 28 CO 0.81 -0.67 2.33 -0.08 -0.69 0.00 0.00 174.62 176.32 1x67 h GLU 29 N 8.82 0.00 -0.31 4.92 4.22 -1.86 -2.81 114.58 127.57 1x67 h GLU 29 Ca -0.29 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.22 1x67 h GLU 29 Cb 1.11 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 1x67 h GLU 29 CO 0.92 0.00 -0.19 -0.22 -2.18 0.00 0.00 179.01 177.35 1x67 h LYS 30 N 0.00 -0.14 -7.02 1.92 1.63 -1.91 -3.42 116.57 107.62 1x67 h LYS 30 Ca -0.00 0.01 -0.48 0.00 -0.85 0.00 0.00 60.65 59.33 1x67 h LYS 30 Cb 0.06 0.03 0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1x67 h LYS 30 CO 0.00 -0.10 0.14 -1.12 -3.45 0.00 0.00 179.45 174.93 1x67 s SER 31 N -5.11 5.94 -0.76 4.20 0.01 -1.06 -5.01 113.70 111.91 1x67 s SER 31 Ca -0.14 0.82 -0.26 0.00 1.31 0.00 0.00 55.95 57.68 1x67 s SER 31 Cb 0.13 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.42 1x67 s SER 31 CO 0.69 -0.81 1.25 -2.16 0.41 0.00 0.00 173.24 172.62 1x67 s PRO 32 N -4.86 3.23 -0.28 12.44 0.04 -1.26 -4.95 135.00 139.36 1x67 s PRO 32 Ca 0.51 -0.47 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 1x67 s PRO 32 Cb -0.10 -4.34 0.08 0.00 0.04 0.00 0.00 34.50 30.18 1x67 s PRO 32 CO 0.45 -2.10 0.75 0.99 0.04 0.00 0.00 177.00 177.14 1x67 s THR 33 N 5.32 0.00 0.00 1.26 2.01 -1.26 -4.75 115.64 118.22 1x67 s THR 33 Ca 0.34 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1x67 s THR 33 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1x67 s THR 33 CO 0.11 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.37 1x67 n ASP 34 N 3.28 2.88 -4.05 3.53 -0.08 0.67 -4.67 116.55 118.12 1x67 n ASP 34 Ca -0.16 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.85 1x67 n ASP 34 Cb 0.57 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.95 1x67 n ASP 34 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1x67 n TRP 35 N -2.61 0.33 -3.53 -0.67 4.27 -1.08 -1.60 117.44 112.56 1x67 n TRP 35 Ca 0.00 -2.62 0.00 0.00 -3.89 0.00 0.00 57.50 50.99 1x67 n TRP 35 Cb 0.49 -0.07 -0.04 0.00 -1.36 0.00 0.00 31.31 30.33 1x67 n TRP 35 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x67 s ALA 36 N -3.08 -2.37 -0.02 -1.67 0.00 -0.77 -3.92 121.76 109.94 1x67 s ALA 36 Ca 0.17 2.20 -0.03 0.00 0.00 0.00 0.00 51.96 54.31 1x67 s ALA 36 Cb 0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1x67 s ALA 36 CO 0.12 -0.95 0.15 -0.51 0.00 0.00 0.00 175.76 174.58 1x67 s LEU 37 N 2.69 4.26 -0.08 0.00 2.01 0.25 -1.21 118.68 126.60 1x67 s LEU 37 Ca -0.04 0.31 -0.03 0.00 0.01 0.00 0.00 54.13 54.38 1x67 s LEU 37 Cb -0.09 -2.47 0.04 0.00 0.01 0.00 0.00 46.19 43.68 1x67 s LEU 37 CO -0.18 0.28 0.06 -0.36 1.01 0.00 0.00 176.35 177.16 1x67 s PHE 38 N -1.26 0.19 0.33 0.29 0.08 -0.62 -0.11 117.98 116.89 1x67 s PHE 38 Ca 0.25 0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.38 1x67 s PHE 38 Cb -0.12 -0.59 -0.07 0.00 -0.57 0.00 0.00 43.02 41.67 1x67 s PHE 38 CO 0.16 -0.30 0.01 -0.08 -0.10 0.00 0.00 175.22 174.91 1x67 s THR 39 N 2.13 1.51 0.68 0.64 -1.32 0.44 -1.52 115.64 118.19 1x67 s THR 39 Ca 0.04 -2.04 -0.15 0.00 -1.21 0.00 0.00 61.69 58.33 1x67 s THR 39 Cb -0.13 -2.74 0.01 0.00 -1.51 0.00 0.00 72.50 68.13 1x67 s THR 39 CO -0.05 -0.09 1.15 -0.31 -2.21 0.00 0.00 174.62 173.12 1x67 s TYR 40 N -3.08 2.38 -0.03 9.09 1.51 -1.26 -0.16 117.35 125.80 1x67 s TYR 40 Ca 0.34 1.57 -0.19 0.00 -1.01 0.00 0.00 57.07 57.78 1x67 s TYR 40 Cb 0.08 -3.31 -0.12 0.00 -0.11 0.00 0.00 41.96 38.50 1x67 s TYR 40 CO 0.15 -2.08 0.82 1.49 -1.11 0.00 0.00 175.55 174.83 1x67 h GLU 41 N -0.01 -0.49 0.00 -0.62 4.22 -1.49 -3.45 114.58 112.74 1x67 h GLU 41 Ca -0.47 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1x67 h GLU 41 Cb 1.27 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1x67 h GLU 41 CO 0.52 -0.22 0.00 0.41 -2.18 0.00 0.00 179.01 177.54 1x67 n GLY 42 N 0.21 4.26 2.21 1.92 0.00 -1.26 -5.01 105.19 107.52 1x67 n GLY 42 Ca -0.08 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 6.32 -4.07 1.61 3.02 -1.26 -4.93 115.26 115.95 1x67 n ASN 43 Ca 0.00 -3.60 -0.10 0.00 -0.03 0.00 0.00 54.58 50.85 1x67 n ASN 43 Cb 0.00 -0.94 -0.08 0.00 -0.61 0.00 0.00 39.78 38.15 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 -1.36 0.12 -0.47 6.41 1.04 -1.26 -5.11 113.70 113.06 1x67 s SER 44 Ca 0.57 -1.08 -0.28 0.00 0.48 0.00 0.00 55.95 55.63 1x67 s SER 44 Cb 0.46 0.41 0.01 0.00 0.10 0.00 0.00 66.02 67.00 1x67 s SER 44 CO 0.02 -0.87 1.39 0.20 0.98 0.00 0.00 173.24 174.96 1x67 s ASN 45 N -3.04 6.28 -0.30 7.02 0.01 -1.26 -4.59 114.94 119.06 1x67 s ASN 45 Ca 0.25 0.60 -0.16 0.00 -0.71 0.00 0.00 52.86 52.84 1x67 s ASN 45 Cb 0.05 -2.54 0.18 0.00 0.41 0.00 0.00 41.25 39.34 1x67 s ASN 45 CO 0.04 -1.52 1.19 -1.81 -1.51 0.00 0.00 177.10 173.49 1x67 s ASP 46 N 4.00 -0.07 0.18 -1.22 1.01 -1.26 -4.20 116.67 115.11 1x67 s ASP 46 Ca 0.57 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 53.54 1x67 s ASP 46 Cb -0.12 1.04 -0.08 0.00 1.01 0.00 0.00 42.92 44.78 1x67 s ASP 46 CO 0.30 -0.01 1.04 -0.63 0.21 0.00 0.00 175.17 176.08 1x67 s ILE 47 N 2.99 4.01 0.10 0.77 -1.09 -1.02 -1.43 121.20 125.53 1x67 s ILE 47 Ca 0.26 1.79 -0.08 0.00 -2.23 0.00 0.00 60.65 60.40 1x67 s ILE 47 Cb -0.01 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1x67 s ILE 47 CO -0.20 0.33 0.19 0.00 -1.23 0.00 0.00 174.94 174.03 1x67 s ARG 48 N -0.53 0.89 0.42 2.79 1.70 0.77 -4.63 118.95 120.36 1x67 s ARG 48 Ca 0.47 -1.04 -0.24 0.00 -0.47 0.00 0.00 55.73 54.44 1x67 s ARG 48 Cb -0.28 0.33 -0.11 0.00 -0.57 0.00 0.00 34.95 34.33 1x67 s ARG 48 CO 0.34 -0.29 0.94 0.28 -1.08 0.00 0.00 175.30 175.49 1x67 n VAL 49 N -0.08 2.36 -0.00 4.99 0.31 -1.26 -0.42 118.33 124.23 1x67 n VAL 49 Ca -0.13 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1x67 n VAL 49 Cb 0.62 -1.05 -0.00 0.00 -0.91 0.00 0.00 33.84 32.50 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 -0.54 2.00 0.00 3.52 0.00 0.85 -4.53 120.51 121.80 1x67 n ALA 50 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1x67 n ALA 50 Cb 0.39 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1x67 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x67 n GLY 51 N 3.30 1.59 3.01 0.00 0.00 -1.19 -4.96 105.19 106.94 1x67 n GLY 51 Ca -0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 1x67 n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x67 s THR 52 N -1.84 0.54 0.31 2.61 -4.23 -1.26 -0.58 115.64 111.20 1x67 s THR 52 Ca 0.00 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1x67 s THR 52 Cb 0.00 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.33 1x67 s THR 52 CO 0.00 -0.05 0.50 -0.83 -0.54 0.00 0.00 174.62 173.71 1x67 s GLY 53 N -0.69 1.06 -0.10 3.99 0.00 -1.25 -5.04 107.32 105.28 1x67 s GLY 53 Ca -0.02 -1.23 0.16 0.00 0.00 0.00 0.00 44.72 43.63 1x67 s GLY 53 CO 0.00 -0.81 1.17 1.18 0.00 0.00 0.00 173.10 174.63 1x67 n GLU 54 N -0.49 0.83 0.00 2.90 4.71 -1.26 -0.23 120.64 127.09 1x67 n GLU 54 Ca -0.01 -2.49 -0.01 0.00 -0.01 0.00 0.00 57.16 54.65 1x67 n GLU 54 Cb 0.62 -0.94 -0.11 0.00 -1.01 0.00 0.00 31.44 30.00 1x67 n GLU 54 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x67 n GLY 55 N -0.51 -1.13 0.00 0.62 0.00 -1.26 -4.77 105.19 98.14 1x67 n GLY 55 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1x67 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x67 n GLY 56 N 1.45 -0.44 0.29 -0.02 0.00 -1.26 -4.62 105.19 100.59 1x67 n GLY 56 Ca -0.13 -2.21 0.01 0.00 0.00 0.00 0.00 46.02 43.69 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 0.65 -2.03 0.99 3.38 -1.98 0.30 115.31 116.62 1x67 h LEU 57 Ca 0.00 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.14 1x67 h LEU 57 Cb 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1x67 h LEU 57 CO 0.00 0.39 0.38 -0.33 0.09 0.00 0.00 178.44 178.98 1x67 h GLU 58 N 0.77 0.00 0.00 1.13 5.08 -1.95 0.70 114.58 120.32 1x67 h GLU 58 Ca 0.36 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.51 1x67 h GLU 58 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1x67 h GLU 58 CO -0.22 0.00 -1.98 -1.91 -1.00 0.00 0.00 179.01 173.90 1x67 n GLU 59 N -4.14 0.66 0.06 2.33 4.07 -0.03 -4.11 120.64 119.48 1x67 n GLU 59 Ca 0.08 0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 57.08 1x67 n GLU 59 Cb 0.59 -1.61 -0.08 0.00 -0.06 0.00 0.00 31.44 30.27 1x67 n GLU 59 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1x67 h MET 60 N 0.00 -0.20 -0.22 5.31 4.05 0.14 -3.10 114.93 120.91 1x67 h MET 60 Ca -0.28 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.21 1x67 h MET 60 Cb 1.72 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.56 1x67 h MET 60 CO 0.03 0.22 0.23 -0.39 0.23 0.00 0.00 176.91 177.23 1x67 h VAL 61 N -0.72 0.49 -0.03 -5.77 -1.51 -1.17 0.35 116.25 107.89 1x67 h VAL 61 Ca -0.02 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1x67 h VAL 61 Cb 0.51 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1x67 h VAL 61 CO 0.04 0.00 0.04 -0.33 -1.23 0.00 0.00 177.57 176.08 1x67 h GLU 62 N 0.00 0.00 0.08 5.19 4.39 -1.69 -1.55 114.58 120.99 1x67 h GLU 62 Ca 0.11 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.51 1x67 h GLU 62 Cb 0.57 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1x67 h GLU 62 CO -0.00 0.00 -1.53 0.93 -1.16 0.00 0.00 179.01 177.25 1x67 h GLU 63 N 0.00 0.16 -5.90 2.33 5.08 -1.04 -3.45 114.58 111.77 1x67 h GLU 63 Ca 0.02 -0.28 -0.63 0.00 -1.00 0.00 0.00 59.36 57.47 1x67 h GLU 63 Cb 0.09 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1x67 h GLU 63 CO -0.00 0.97 1.47 1.28 -1.00 0.00 0.00 179.01 181.73 1x67 n LEU 64 N -3.35 2.24 -4.58 1.33 4.77 -0.59 -4.91 117.00 111.90 1x67 n LEU 64 Ca -0.15 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.71 1x67 n LEU 64 Cb 1.03 -1.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 1x67 n LEU 64 CO 0.48 -0.81 -0.02 0.21 -1.33 0.00 0.00 177.39 175.92 1x67 s ASN 65 N 8.05 6.16 -0.68 -1.43 3.84 -1.26 -5.00 114.94 124.62 1x67 s ASN 65 Ca 1.08 0.05 -0.26 0.00 0.21 0.00 0.00 52.86 53.95 1x67 s ASN 65 Cb -0.73 -2.18 -0.04 0.00 -0.55 0.00 0.00 41.25 37.76 1x67 s ASN 65 CO 0.44 -0.18 1.99 -0.94 -2.79 0.00 0.00 177.10 175.63 1x67 s SER 66 N 1.70 5.03 0.00 -4.21 1.04 -1.26 -2.67 113.70 113.33 1x67 s SER 66 Ca 0.11 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1x67 s SER 66 Cb -0.16 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x67 s SER 66 CO 0.11 -2.64 0.00 0.61 0.98 0.00 0.00 173.24 172.29 1x67 n GLY 67 N 6.11 0.32 3.03 7.32 0.00 -1.26 -4.65 105.19 116.06 1x67 n GLY 67 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 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 1.11 -0.14 1.61 1.02 -1.09 -4.05 119.74 118.20 1x67 s LYS 68 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.33 1x67 s LYS 68 Cb 0.00 -1.02 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1x67 s LYS 68 CO 0.00 0.15 1.51 0.08 -0.92 0.00 0.00 175.35 176.16 1x67 s VAL 69 N 0.14 3.85 0.45 3.17 1.01 -1.26 -4.29 120.40 123.46 1x67 s VAL 69 Ca -0.03 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1x67 s VAL 69 Cb -0.09 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1x67 s VAL 69 CO 0.01 -0.16 0.13 -0.04 0.00 0.00 0.00 175.10 175.03 1x67 s MET 70 N 4.03 2.05 -0.07 2.72 -1.94 -0.98 -4.54 119.30 120.57 1x67 s MET 70 Ca 0.66 -2.28 0.00 0.00 -1.71 0.00 0.00 55.69 52.37 1x67 s MET 70 Cb -0.27 -0.71 0.02 0.00 2.01 0.00 0.00 34.83 35.89 1x67 s MET 70 CO 0.24 -0.53 -0.05 0.71 -0.01 0.00 0.00 175.02 175.39 1x67 s TYR 71 N -3.12 0.99 -0.17 -0.03 1.51 -0.58 -2.52 117.35 113.44 1x67 s TYR 71 Ca 0.18 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1x67 s TYR 71 Cb 0.01 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 1x67 s TYR 71 CO 0.13 -0.31 -0.00 0.00 -1.11 0.00 0.00 175.55 174.26 1x67 s ALA 72 N 1.31 3.13 -0.40 3.71 0.00 -1.11 -1.59 121.76 126.81 1x67 s ALA 72 Ca -0.04 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1x67 s ALA 72 Cb -0.14 -1.69 0.12 0.00 0.00 0.00 0.00 23.12 21.41 1x67 s ALA 72 CO -0.02 0.17 0.17 0.12 0.00 0.00 0.00 175.76 176.20 1x67 s PHE 73 N 0.42 2.45 0.38 0.00 5.36 -0.35 -2.67 117.98 123.57 1x67 s PHE 73 Ca -0.01 -2.49 0.07 0.00 -0.96 0.00 0.00 56.93 53.54 1x67 s PHE 73 Cb -0.14 -2.20 -0.00 0.00 -0.34 0.00 0.00 43.02 40.34 1x67 s PHE 73 CO 0.02 -0.83 0.50 0.00 -1.46 0.00 0.00 175.22 173.45 1x67 s ARG 75 N -4.24 0.35 0.02 0.00 3.52 -0.63 -2.82 118.95 115.16 1x67 s ARG 75 Ca 0.50 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 1x67 s ARG 75 Cb -0.09 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.36 1x67 s ARG 75 CO 0.31 -0.64 -0.08 0.14 -0.81 0.00 0.00 175.30 174.22 1x67 s VAL 76 N 2.00 0.61 0.24 7.11 -7.23 -0.79 -4.91 120.40 117.43 1x67 s VAL 76 Ca 0.01 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 1x67 s VAL 76 Cb -0.16 -0.58 -0.09 0.00 0.56 0.00 0.00 36.38 36.11 1x67 s VAL 76 CO -0.08 -0.07 1.06 -1.59 -0.31 0.00 0.00 175.10 174.11 1x67 s LYS 77 N -0.83 4.67 0.86 4.82 -2.85 -1.26 -0.14 119.74 125.02 1x67 s LYS 77 Ca -0.02 1.71 -0.11 0.00 -1.00 0.00 0.00 55.97 56.54 1x67 s LYS 77 Cb -0.06 -3.24 0.11 0.00 -2.06 0.00 0.00 37.83 32.58 1x67 s LYS 77 CO 0.00 0.23 1.10 -0.51 0.10 0.00 0.00 175.35 176.27 1x67 s ASP 78 N -0.68 3.69 0.06 0.03 1.11 -0.92 -4.86 116.67 115.10 1x67 s ASP 78 Ca 0.45 1.72 -0.16 0.00 0.18 0.00 0.00 52.55 54.74 1x67 s ASP 78 Cb -0.30 -2.37 -0.18 0.00 1.07 0.00 0.00 42.92 41.14 1x67 s ASP 78 CO 0.37 -2.53 1.23 1.55 1.18 0.00 0.00 175.17 176.97 1x67 h PRO 79 N -1.48 0.60 0.00 8.23 0.13 -1.91 -2.85 132.00 134.73 1x67 h PRO 79 Ca -0.47 -0.52 -0.29 0.00 -0.87 0.00 0.00 66.00 63.86 1x67 h PRO 79 Cb 1.26 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 1x67 h PRO 79 CO 0.51 1.14 -1.75 0.09 -0.23 0.00 0.00 178.00 177.76 1x67 n ASN 80 N -4.12 1.91 -0.30 1.44 3.02 -1.26 -4.45 115.26 111.50 1x67 n ASN 80 Ca -0.08 0.39 0.04 0.00 -0.03 0.00 0.00 54.58 54.90 1x67 n ASN 80 Cb 0.67 -0.86 0.19 0.00 -0.61 0.00 0.00 39.78 39.17 1x67 n ASN 80 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x67 h SER 81 N -1.00 0.65 -0.51 6.41 0.87 -1.92 -3.45 113.55 114.59 1x67 h SER 81 Ca -0.44 0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 59.96 1x67 h SER 81 Cb 1.34 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 63.15 1x67 h SER 81 CO -0.26 0.35 -0.20 0.61 -0.53 0.00 0.00 176.83 176.79 1x67 n GLY 82 N -1.32 1.21 3.33 5.77 0.00 -1.08 -4.94 105.19 108.15 1x67 n GLY 82 Ca 0.15 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.45 2.39 -0.29 0.99 1.43 -1.26 -4.80 118.68 114.68 1x67 s LEU 83 Ca 0.00 -0.80 -0.35 0.00 -1.03 0.00 0.00 54.13 51.94 1x67 s LEU 83 Cb 0.00 -0.89 -0.12 0.00 0.03 0.00 0.00 46.19 45.21 1x67 s LEU 83 CO 0.00 0.02 2.08 -2.65 0.23 0.00 0.00 176.35 176.03 1x67 n PRO 84 N 0.57 1.29 -4.31 1.29 -0.02 -1.26 -2.16 135.00 130.40 1x67 n PRO 84 Ca -0.15 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.38 1x67 n PRO 84 Cb 0.56 -2.48 -0.13 0.00 -0.02 0.00 0.00 33.50 31.43 1x67 n PRO 84 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1x67 s LYS 85 N 5.54 3.58 0.06 -0.52 -0.14 0.80 -4.93 119.74 124.14 1x67 s LYS 85 Ca 1.05 -0.56 -0.20 0.00 -1.36 0.00 0.00 55.97 54.91 1x67 s LYS 85 Cb -0.84 -2.93 -0.07 0.00 -1.68 0.00 0.00 37.83 32.32 1x67 s LYS 85 CO 0.51 0.12 0.58 -0.06 -0.76 0.00 0.00 175.35 175.74 1x67 s PHE 86 N 0.67 3.79 -0.02 3.18 0.08 -1.26 -1.88 117.98 122.54 1x67 s PHE 86 Ca -0.02 1.27 0.07 0.00 0.12 0.00 0.00 56.93 58.37 1x67 s PHE 86 Cb -0.15 -2.52 -0.02 0.00 -0.57 0.00 0.00 43.02 39.77 1x67 s PHE 86 CO 0.02 0.55 -0.22 0.08 -0.10 0.00 0.00 175.22 175.56 1x67 s VAL 87 N -0.97 1.72 -0.22 -0.44 1.01 -1.13 -0.13 120.40 120.25 1x67 s VAL 87 Ca 0.29 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1x67 s VAL 87 Cb -0.19 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1x67 s VAL 87 CO 0.19 0.49 -0.11 -0.22 0.00 0.00 0.00 175.10 175.45 1x67 s LEU 88 N -0.48 2.82 -0.13 3.92 1.98 -0.57 -3.56 118.68 122.65 1x67 s LEU 88 Ca 0.08 -0.80 -0.00 0.00 -2.89 0.00 0.00 54.13 50.52 1x67 s LEU 88 Cb -0.09 -1.60 -0.01 0.00 0.66 0.00 0.00 46.19 45.15 1x67 s LEU 88 CO -0.01 -0.08 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.62 1x67 s ILE 89 N 1.31 3.02 -1.17 6.68 1.01 -1.09 -0.96 121.20 130.00 1x67 s ILE 89 Ca 0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 1x67 s ILE 89 Cb -0.15 -2.27 0.23 0.00 0.01 0.00 0.00 42.46 40.27 1x67 s ILE 89 CO -0.07 0.52 1.48 0.59 0.00 0.00 0.00 174.94 177.46 1x67 n ASN 90 N 3.61 5.57 -4.69 3.58 3.02 -0.09 -2.77 115.26 123.48 1x67 n ASN 90 Ca -0.18 -3.13 -0.52 0.00 -0.03 0.00 0.00 54.58 50.71 1x67 n ASN 90 Cb 0.53 -1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.21 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 3.39 2.21 -3.57 3.10 -0.00 -1.05 -3.90 117.44 117.62 1x67 n TRP 91 Ca 0.32 0.22 -0.29 0.00 -0.00 0.00 0.00 57.50 57.76 1x67 n TRP 91 Cb 0.38 -2.58 -0.12 0.00 -0.00 0.00 0.00 31.31 28.99 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 3.84 0.89 0.57 5.87 2.01 -1.11 -2.32 115.64 125.38 1x67 s THR 92 Ca 0.95 -2.48 -0.19 0.00 0.31 0.00 0.00 61.69 60.28 1x67 s THR 92 Cb -0.85 -1.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.97 1x67 s THR 92 CO 0.58 -1.02 0.77 0.61 -0.69 0.00 0.00 174.62 174.87 1x67 n GLY 93 N 3.37 -0.83 0.18 4.40 0.00 -1.24 -4.24 105.19 106.83 1x67 n GLY 93 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 0.46 0.00 -0.65 1.61 5.08 -1.87 -2.88 114.58 116.33 1x67 h GLU 94 Ca -0.47 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.06 1x67 h GLU 94 Cb 1.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 1x67 h GLU 94 CO 0.50 0.40 0.45 0.78 -1.00 0.00 0.00 179.01 180.14 1x67 h GLY 95 N 1.22 0.24 -5.30 -3.84 0.00 -1.84 -3.40 103.07 90.14 1x67 h GLY 95 Ca -0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 47.33 46.72 1x67 h GLY 95 CO 0.05 0.02 1.10 0.14 0.00 0.00 0.00 176.54 177.85 1x67 s VAL 96 N -5.14 3.56 1.09 4.60 1.01 -1.09 -4.97 120.40 119.46 1x67 s VAL 96 Ca -0.06 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1x67 s VAL 96 Cb 0.20 -3.44 0.13 0.00 0.00 0.00 0.00 36.38 33.28 1x67 s VAL 96 CO 0.75 -0.06 0.32 -0.46 0.00 0.00 0.00 175.10 175.64 1x67 n ASN 97 N 7.21 -2.09 -0.07 3.32 6.94 -1.26 -4.75 115.26 124.56 1x67 n ASN 97 Ca 0.17 -0.02 -0.15 0.00 -0.02 0.00 0.00 54.58 54.56 1x67 n ASN 97 Cb 0.43 -1.08 -0.05 0.00 -2.36 0.00 0.00 39.78 36.72 1x67 n ASN 97 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x67 h ASP 98 N -2.09 0.93 -0.27 0.53 5.19 -1.93 -2.43 116.42 116.35 1x67 h ASP 98 Ca -0.53 -0.54 0.08 0.00 -0.62 0.00 0.00 57.03 55.42 1x67 h ASP 98 Cb 1.34 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1x67 h ASP 98 CO 0.40 1.30 0.25 0.58 -3.12 0.00 0.00 179.24 178.65 1x67 h VAL 99 N 0.59 0.58 0.12 -1.35 2.07 -2.01 -1.25 116.25 114.99 1x67 h VAL 99 Ca 0.01 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.19 1x67 h VAL 99 Cb 1.15 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1x67 h VAL 99 CO 0.12 0.00 -1.76 -0.09 0.02 0.00 0.00 177.57 175.86 1x67 h ARG 100 N 0.00 0.26 -0.81 1.57 9.65 -1.88 -3.29 114.38 119.88 1x67 h ARG 100 Ca 0.13 -0.44 0.13 0.00 -1.10 0.00 0.00 59.98 58.70 1x67 h ARG 100 Cb 0.63 0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.29 1x67 h ARG 100 CO -0.00 1.12 0.40 0.87 2.80 0.00 0.00 179.97 185.16 1x67 h LYS 101 N 0.07 0.59 0.00 0.20 1.57 -0.74 0.21 116.57 118.48 1x67 h LYS 101 Ca -0.33 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 1x67 h LYS 101 Cb 2.04 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 34.21 1x67 h LYS 101 CO 0.13 0.39 -0.31 0.78 -0.57 0.00 0.00 179.45 179.87 1x67 h GLY 102 N 0.61 0.00 1.46 3.86 0.00 -1.63 -3.14 103.07 104.23 1x67 h GLY 102 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.46 1x67 h GLY 102 CO -0.34 0.00 -1.33 0.00 0.00 0.00 0.00 176.54 174.87 1x67 h ALA 103 N 1.69 -0.01 0.00 3.60 0.00 -0.95 -3.26 119.26 120.33 1x67 h ALA 103 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 1x67 h ALA 103 Cb 0.89 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1x67 h ALA 103 CO 0.04 0.84 -0.13 0.00 0.00 0.00 0.00 179.25 180.00 1x67 h ALA 105 N 1.87 1.44 0.00 0.00 0.00 -1.58 0.54 119.26 121.53 1x67 h ALA 105 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1x67 h ALA 105 Cb 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1x67 h ALA 105 CO 0.02 0.31 -0.14 0.77 0.00 0.00 0.00 179.25 180.21 1x67 h SER 106 N 1.06 0.00 1.06 0.00 0.02 -1.63 -1.98 113.55 112.08 1x67 h SER 106 Ca 0.46 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.22 1x67 h SER 106 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1x67 h SER 106 CO -0.23 0.14 -0.93 0.45 -1.14 0.00 0.00 176.83 175.13 1x67 h HIS 107 N 0.00 0.00 0.00 3.45 3.86 -1.03 -3.22 115.15 118.21 1x67 h HIS 107 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1x67 h HIS 107 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1x67 h HIS 107 CO 0.00 0.93 -0.17 0.28 0.86 0.00 0.00 177.93 179.82 1x67 h VAL 108 N 0.00 0.76 -0.54 2.45 2.07 -0.59 -2.29 116.25 118.11 1x67 h VAL 108 Ca -0.01 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1x67 h VAL 108 Cb 1.71 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1x67 h VAL 108 CO 0.12 0.17 0.19 -1.28 0.02 0.00 0.00 177.57 176.79 1x67 h SER 109 N 0.00 0.72 0.09 0.57 0.87 -1.55 0.15 113.55 114.40 1x67 h SER 109 Ca -0.00 -0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.29 1x67 h SER 109 Cb 0.40 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1x67 h SER 109 CO 0.02 0.66 -0.80 0.74 -0.53 0.00 0.00 176.83 176.93 1x67 h THR 110 N 0.77 1.43 -0.59 2.23 2.02 -1.62 -3.30 112.91 113.85 1x67 h THR 110 Ca 0.18 -2.44 -0.00 0.00 0.77 0.00 0.00 66.41 64.92 1x67 h THR 110 Cb 0.19 3.07 -0.03 0.00 -1.74 0.00 0.00 68.15 69.63 1x67 h THR 110 CO -0.01 0.66 0.37 0.24 0.37 0.00 0.00 175.52 177.14 1x67 h MET 111 N -0.55 0.80 -0.73 6.66 2.07 -1.36 -2.20 114.93 119.62 1x67 h MET 111 Ca -0.16 -0.07 0.14 0.00 -2.07 0.00 0.00 59.70 57.54 1x67 h MET 111 Cb 1.50 -0.17 -0.09 0.00 -1.87 0.00 0.00 31.60 30.96 1x67 h MET 111 CO 0.07 0.57 0.29 0.00 1.07 0.00 0.00 176.91 178.90 1x67 h ALA 112 N 1.19 1.02 -0.49 6.32 0.00 -0.84 0.03 119.26 126.49 1x67 h ALA 112 Ca 0.21 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1x67 h ALA 112 Cb -0.03 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1x67 h ALA 112 CO -0.04 -0.21 -0.16 1.03 0.00 0.00 0.00 179.25 179.87 1x67 h SER 113 N 0.43 0.96 0.66 0.00 0.87 -1.54 -3.24 113.55 111.68 1x67 h SER 113 Ca 0.40 -0.33 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1x67 h SER 113 Cb 0.59 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1x67 h SER 113 CO -0.39 1.10 -0.32 0.15 -0.53 0.00 0.00 176.83 176.84 1x67 h PHE 114 N 0.83 -0.82 -0.28 2.24 3.57 -0.52 -3.19 116.94 118.77 1x67 h PHE 114 Ca 0.12 -0.02 -0.69 0.00 3.53 0.00 0.00 57.97 60.91 1x67 h PHE 114 Cb 0.71 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1x67 h PHE 114 CO 0.04 -0.49 3.43 1.28 -2.23 0.00 0.00 178.31 180.34 1x67 n LEU 115 N -5.45 8.33 -4.63 0.59 4.77 -0.16 -4.95 117.00 115.50 1x67 n LEU 115 Ca -0.13 -4.45 -0.29 0.00 -0.03 0.00 0.00 56.01 51.11 1x67 n LEU 115 Cb 0.37 -1.53 0.20 0.00 -2.33 0.00 0.00 43.42 40.13 1x67 n LEU 115 CO 0.37 1.93 0.61 -0.54 -1.33 0.00 0.00 177.39 178.43 1x67 s LYS 116 N 1.58 -0.21 0.00 3.23 -0.14 -1.21 -3.95 119.74 119.05 1x67 s LYS 116 Ca 0.63 0.41 0.00 0.00 -1.36 0.00 0.00 55.97 55.65 1x67 s LYS 116 Cb 0.17 -1.67 0.00 0.00 -1.68 0.00 0.00 37.83 34.65 1x67 s LYS 116 CO -0.07 -3.14 0.00 0.41 -0.76 0.00 0.00 175.35 171.80 1x67 n GLY 117 N -0.77 3.15 3.50 -3.33 0.00 -1.26 -4.98 105.19 101.50 1x67 n GLY 117 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.19 0.76 0.21 4.61 0.00 -1.25 -4.34 120.51 119.31 1x67 n ALA 118 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.04 1x67 n ALA 118 Cb 0.00 -2.74 0.46 0.00 0.00 0.00 0.00 19.45 17.17 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 15.24 0.00 -3.58 0.00 3.86 -0.89 -3.44 115.15 126.34 1x67 h HIS 119 Ca -0.20 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.80 1x67 h HIS 119 Cb 1.30 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.50 1x67 h HIS 119 CO 1.00 0.28 -0.63 0.08 0.86 0.00 0.00 177.93 179.52 1x67 s VAL 120 N -3.88 0.01 0.01 2.45 1.01 -1.20 -5.00 120.40 113.80 1x67 s VAL 120 Ca -0.01 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1x67 s VAL 120 Cb 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.35 1x67 s VAL 120 CO 0.66 -0.04 -0.23 -0.89 0.00 0.00 0.00 175.10 174.60 1x67 s THR 121 N -0.09 2.37 -0.04 3.92 2.01 -1.26 -1.51 115.64 121.05 1x67 s THR 121 Ca -0.01 -1.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.80 1x67 s THR 121 Cb -0.01 -1.91 0.02 0.00 0.01 0.00 0.00 72.50 70.61 1x67 s THR 121 CO 0.00 0.46 0.09 -0.63 -0.69 0.00 0.00 174.62 173.86 1x67 s ILE 122 N -0.75 -0.03 -0.83 1.82 1.01 -0.13 -4.98 121.20 117.31 1x67 s ILE 122 Ca 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1x67 s ILE 122 Cb -0.10 -0.15 0.21 0.00 0.01 0.00 0.00 42.46 42.42 1x67 s ILE 122 CO 0.01 0.04 0.70 0.54 0.00 0.00 0.00 174.94 176.23 1x67 s ASN 123 N 0.59 5.81 0.69 3.58 2.20 -1.26 -0.91 114.94 125.63 1x67 s ASN 123 Ca -0.05 -3.53 -0.01 0.00 -0.94 0.00 0.00 52.86 48.34 1x67 s ASN 123 Cb -0.06 -1.89 0.12 0.00 -2.00 0.00 0.00 41.25 37.42 1x67 s ASN 123 CO -0.02 -0.23 0.85 0.00 -2.94 0.00 0.00 177.10 174.76 1x67 n ALA 124 N 2.59 0.12 0.00 3.54 0.00 -1.25 -4.95 120.51 120.56 1x67 n ALA 124 Ca 0.18 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1x67 n ALA 124 Cb 0.37 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.57 0.00 -3.87 0.00 1.74 -1.26 -2.76 116.66 107.94 1x67 n ARG 125 Ca 0.14 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.01 1x67 n ARG 125 Cb 0.49 -0.30 -0.02 0.00 -1.02 0.00 0.00 32.46 31.61 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x67 s ALA 126 N -1.25 3.98 0.44 7.54 0.00 -1.26 -3.66 121.76 127.54 1x67 s ALA 126 Ca 0.00 -1.30 0.26 0.00 0.00 0.00 0.00 51.96 50.92 1x67 s ALA 126 Cb 0.00 -1.68 1.44 0.00 0.00 0.00 0.00 23.12 22.88 1x67 s ALA 126 CO 0.00 0.18 2.08 0.93 0.00 0.00 0.00 175.76 178.95 1x67 h GLU 127 N 1.13 0.00 0.00 0.00 5.08 -1.97 -1.52 114.58 117.30 1x67 h GLU 127 Ca -0.50 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1x67 h GLU 127 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1x67 h GLU 127 CO 0.59 0.11 -0.24 0.93 -1.00 0.00 0.00 179.01 179.40 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 5.08 -2.01 -2.90 114.58 116.24 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 0.30 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.42 1x67 h GLU 128 CO 0.01 0.24 0.26 -0.25 -1.00 0.00 0.00 179.01 178.28 1x67 n ASP 129 N -3.33 4.14 -0.97 1.42 9.92 -0.57 -3.98 116.55 123.18 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 0.48 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 40.23 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 -1.63 2.53 0.24 -1.10 -4.64 118.33 113.57 1x67 n VAL 130 Ca 0.35 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1x67 n VAL 130 Cb 1.21 0.56 0.06 0.00 -1.47 0.00 0.00 33.84 34.20 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 2.65 0.17 7.34 8.01 -1.23 -4.82 118.70 130.82 1x67 s GLU 131 Ca 0.10 0.74 -0.23 0.00 0.01 0.00 0.00 54.97 55.60 1x67 s GLU 131 Cb 0.12 -1.97 0.06 0.00 -4.31 0.00 0.00 34.13 28.03 1x67 s GLU 131 CO -0.05 -1.25 1.60 -1.35 0.01 0.00 0.00 175.26 174.22 1x67 h PRO 132 N -0.82 -0.24 -0.43 0.39 0.11 -1.94 0.51 132.00 129.58 1x67 h PRO 132 Ca -0.45 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1x67 h PRO 132 Cb 1.24 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1x67 h PRO 132 CO 0.59 -0.16 -0.11 1.05 -0.21 0.00 0.00 178.00 179.17 1x67 h GLU 133 N -0.25 0.82 -0.14 1.05 4.11 -1.97 0.23 114.58 118.44 1x67 h GLU 133 Ca 0.18 -0.32 0.04 0.00 0.07 0.00 0.00 59.36 59.33 1x67 h GLU 133 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1x67 h GLU 133 CO -0.55 0.94 0.15 0.00 0.07 0.00 0.00 179.01 179.62 1x67 n ILE 135 N -3.92 1.60 0.26 0.00 5.41 0.09 -4.22 119.36 118.58 1x67 n ILE 135 Ca 0.01 -0.46 0.09 0.00 1.00 0.00 0.00 62.75 63.38 1x67 n ILE 135 Cb 0.26 -1.73 0.67 0.00 -0.71 0.00 0.00 39.64 38.13 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 -0.36 0.00 0.00 0.38 2.86 -0.19 0.24 114.93 117.86 1x67 h MET 136 Ca -0.51 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.07 1x67 h MET 136 Cb 1.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.43 1x67 h MET 136 CO -0.12 0.04 -0.27 0.93 1.06 0.00 0.00 176.91 178.55 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 3.07 -1.04 -2.93 114.58 115.40 1x67 h GLU 137 Ca -0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 1x67 h GLU 137 Cb 0.07 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 1x67 h GLU 137 CO 0.00 0.27 -1.94 1.63 -1.40 0.00 0.00 179.01 177.57 1x67 n LYS 138 N -3.77 0.65 0.10 2.33 5.02 -0.35 -4.18 118.16 117.97 1x67 n LYS 138 Ca -0.01 0.13 0.04 0.00 -2.02 0.00 0.00 58.31 56.45 1x67 n LYS 138 Cb 0.37 -1.67 0.47 0.00 -0.02 0.00 0.00 35.03 34.18 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 1.10 -0.73 -0.18 2.07 -0.84 -2.22 116.25 115.45 1x67 h VAL 139 Ca -0.35 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 1x67 h VAL 139 Cb 1.96 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1x67 h VAL 139 CO 0.05 0.11 0.19 0.00 0.02 0.00 0.00 177.57 177.94 1x67 h ALA 140 N 1.78 0.95 -1.37 1.67 0.00 -1.69 -3.41 119.26 117.19 1x67 h ALA 140 Ca 0.08 -0.24 -0.51 0.00 0.00 0.00 0.00 54.91 54.24 1x67 h ALA 140 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1x67 h ALA 140 CO -0.01 0.67 1.61 0.45 0.00 0.00 0.00 179.25 181.97 1x67 n SER 141 N -4.24 2.15 0.00 0.00 2.88 -0.84 -4.55 113.62 109.03 1x67 n SER 141 Ca 0.06 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1x67 n SER 141 Cb 0.25 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 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 6.11 -1.76 0.29 0.46 0.00 -1.26 -4.91 105.19 104.12 1x67 n GLY 142 Ca 0.41 0.71 -0.06 0.00 0.00 0.00 0.00 46.02 47.07 1x67 n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x67 h PRO 143 N 0.00 -0.18 -1.82 1.61 0.11 -1.98 -3.44 132.00 126.30 1x67 h PRO 143 Ca 0.00 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.13 1x67 h PRO 143 Cb 0.00 0.04 -0.23 0.00 0.11 0.00 0.00 31.00 30.92 1x67 h PRO 143 CO 0.00 -0.12 0.28 0.45 -0.21 0.00 0.00 178.00 178.40 1x67 s SER 144 N -5.11 -0.61 0.08 -2.05 0.15 -1.26 -4.97 113.70 99.93 1x67 s SER 144 Ca -0.15 1.16 -0.17 0.00 0.70 0.00 0.00 55.95 57.49 1x67 s SER 144 Cb 0.14 1.17 0.04 0.00 -1.71 0.00 0.00 66.02 65.66 1x67 s SER 144 CO 0.69 -0.22 0.41 -0.44 1.20 0.00 0.00 173.24 174.89 1x67 s SER 145 N 0.25 -0.27 0.00 5.45 0.01 -1.26 -5.28 113.70 112.59 1x67 s SER 145 Ca 0.01 -0.13 0.27 0.00 1.31 0.00 0.00 55.95 57.41 1x67 s SER 145 Cb -0.05 0.45 0.80 0.00 0.21 0.00 0.00 66.02 67.43 1x67 s SER 145 CO -0.02 -0.75 1.60 0.61 0.41 0.00 0.00 173.24 175.10