#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 n SER 2 N 0.00 -7.40 0.09 1.61 7.64 -1.26 -4.98 113.62 109.32 1x67 n SER 2 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1x67 n SER 2 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1x67 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x67 n SER 3 N -0.73 -0.34 0.00 6.43 3.41 -1.26 -5.11 113.62 116.03 1x67 n SER 3 Ca 0.04 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1x67 n SER 3 Cb 0.51 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x67 n GLY 4 N 1.22 0.15 2.57 5.00 0.00 -1.26 -5.09 105.19 107.78 1x67 n GLY 4 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1x67 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x67 n SER 5 N 0.00 -7.27 0.00 1.61 7.64 -1.26 -4.97 113.62 109.37 1x67 n SER 5 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1x67 n SER 5 Cb 0.00 -3.14 0.00 0.00 -1.01 0.00 0.00 64.21 60.06 1x67 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x67 n SER 6 N -4.05 0.00 -0.11 6.43 2.88 -1.26 -5.18 113.62 112.33 1x67 n SER 6 Ca 0.01 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.56 1x67 n SER 6 Cb 0.47 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1x67 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x67 n GLY 7 N -1.00 -2.02 3.28 0.46 0.00 -1.26 -4.78 105.19 99.87 1x67 n GLY 7 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 1x67 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x67 s MET 8 N -2.13 0.37 0.41 1.61 0.00 -1.26 -5.06 119.30 113.23 1x67 s MET 8 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 55.69 56.61 1x67 s MET 8 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 34.83 34.98 1x67 s MET 8 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 175.02 174.82 1x67 n ALA 9 N 4.81 -3.73 -1.71 4.11 0.00 -1.26 -4.77 120.51 117.96 1x67 n ALA 9 Ca -0.16 0.57 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 1x67 n ALA 9 Cb 0.53 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.65 1x67 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x67 n ALA 10 N -2.77 1.28 -0.02 0.00 0.00 -1.26 -4.81 120.51 112.93 1x67 n ALA 10 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1x67 n ALA 10 Cb 0.66 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 1x67 n ALA 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x67 n ASN 11 N -0.60 0.35 -2.05 0.00 5.15 -1.26 -4.98 115.26 111.86 1x67 n ASN 11 Ca 0.10 0.06 -0.20 0.00 -0.60 0.00 0.00 54.58 53.93 1x67 n ASN 11 Cb 0.43 -0.52 -0.04 0.00 -0.53 0.00 0.00 39.78 39.12 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 -2.85 -1.77 -0.12 1.20 4.32 -1.26 -4.87 117.00 111.65 1x67 n LEU 12 Ca -0.02 0.17 -0.26 0.00 -0.02 0.00 0.00 56.01 55.88 1x67 n LEU 12 Cb 0.09 -2.85 -0.11 0.00 -1.62 0.00 0.00 43.42 38.93 1x67 n LEU 12 CO 0.04 -0.52 -1.05 -1.20 -1.22 0.00 0.00 177.39 173.44 1x67 n SER 13 N -1.67 1.93 -0.15 -1.43 7.64 -1.26 -3.48 113.62 115.20 1x67 n SER 13 Ca -0.23 0.33 -0.03 0.00 1.01 0.00 0.00 58.87 59.96 1x67 n SER 13 Cb 0.68 -0.85 0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1x67 n SER 13 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x67 h ARG 14 N -0.87 0.11 -1.56 1.43 3.08 -1.93 -2.27 114.38 112.36 1x67 h ARG 14 Ca -0.54 -0.01 -0.67 0.00 0.07 0.00 0.00 59.98 58.83 1x67 h ARG 14 Cb 1.54 -0.02 -0.34 0.00 0.08 0.00 0.00 29.97 31.23 1x67 h ARG 14 CO -0.29 0.07 0.22 0.09 -1.07 0.00 0.00 179.97 178.99 1x67 n ASN 15 N -5.23 6.32 0.00 7.04 3.02 -1.26 -4.85 115.26 120.30 1x67 n ASN 15 Ca 0.05 -3.78 -0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1x67 n ASN 15 Cb 0.25 -0.77 -0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 2.63 -1.07 0.20 7.41 0.00 -1.44 0.17 103.07 110.96 1x67 h GLY 16 Ca 0.46 0.46 0.10 0.00 0.00 0.00 0.00 47.33 48.35 1x67 h GLY 16 CO 1.19 -0.41 0.03 -2.55 0.00 0.00 0.00 176.54 174.80 1x67 h PRO 17 N -0.02 0.15 -0.45 4.80 0.11 -1.89 0.21 132.00 134.91 1x67 h PRO 17 Ca -0.00 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.16 1x67 h PRO 17 Cb 0.02 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 1x67 h PRO 17 CO -0.00 0.10 0.15 0.00 -0.21 0.00 0.00 178.00 178.04 1x67 h ALA 18 N 1.44 0.54 -0.38 -0.75 0.00 -1.91 0.11 119.26 118.31 1x67 h ALA 18 Ca 0.26 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1x67 h ALA 18 Cb 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1x67 h ALA 18 CO -0.40 -0.24 0.11 -0.07 0.00 0.00 0.00 179.25 178.65 1x67 h LEU 19 N 0.32 0.56 -1.76 0.00 3.38 0.14 -2.52 115.31 115.44 1x67 h LEU 19 Ca 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1x67 h LEU 19 Cb 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1x67 h LEU 19 CO -0.22 0.63 -0.15 -0.61 0.09 0.00 0.00 178.44 178.18 1x67 h GLN 20 N 0.47 0.00 -0.04 1.13 4.15 -0.48 -2.81 115.11 117.52 1x67 h GLN 20 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1x67 h GLN 20 Cb 0.28 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1x67 h GLN 20 CO -0.00 0.15 0.00 1.49 -1.93 0.00 0.00 178.83 178.54 1x67 h GLU 21 N 0.00 0.07 -0.01 1.69 4.81 -0.36 0.19 114.58 120.98 1x67 h GLU 21 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1x67 h GLU 21 Cb 0.29 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1x67 h GLU 21 CO 0.02 0.34 0.04 0.00 -0.73 0.00 0.00 179.01 178.68 1x67 h ALA 22 N 0.72 1.17 0.00 2.92 0.00 -1.25 0.24 119.26 123.07 1x67 h ALA 22 Ca 0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1x67 h ALA 22 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1x67 h ALA 22 CO 0.00 -0.05 -1.11 0.98 0.00 0.00 0.00 179.25 179.07 1x67 n TYR 23 N -3.23 0.90 0.30 0.00 4.19 -1.00 -3.66 117.16 114.66 1x67 n TYR 23 Ca -0.03 0.39 0.18 0.00 3.31 0.00 0.00 57.90 61.75 1x67 n TYR 23 Cb 0.12 -0.98 0.92 0.00 0.49 0.00 0.00 39.34 39.88 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 0.20 -0.00 2.97 3.04 -0.38 -2.79 116.25 118.29 1x67 h VAL 24 Ca -0.26 -0.30 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 1x67 h VAL 24 Cb 1.08 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1x67 h VAL 24 CO -0.16 0.04 -0.02 0.03 -1.01 0.00 0.00 177.57 176.45 1x67 h ARG 25 N 0.00 0.02 -0.74 4.17 3.08 -0.69 -2.42 114.38 117.81 1x67 h ARG 25 Ca -0.00 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1x67 h ARG 25 Cb 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1x67 h ARG 25 CO 0.00 0.70 0.42 0.28 -1.07 0.00 0.00 179.97 180.31 1x67 h VAL 26 N -0.65 0.96 0.00 2.04 2.07 -1.57 -0.45 116.25 118.64 1x67 h VAL 26 Ca -0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1x67 h VAL 26 Cb 0.71 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1x67 h VAL 26 CO 0.00 0.14 -0.23 -0.37 0.02 0.00 0.00 177.57 177.13 1x67 h VAL 27 N 0.75 0.65 -3.46 2.57 -1.51 -1.58 -3.42 116.25 110.24 1x67 h VAL 27 Ca 0.34 -1.06 -0.60 0.00 -1.23 0.00 0.00 66.70 64.14 1x67 h VAL 27 Cb 0.24 1.69 -0.10 0.00 -2.13 0.00 0.00 31.29 30.98 1x67 h VAL 27 CO -0.20 0.23 0.05 -0.89 -1.23 0.00 0.00 177.57 175.52 1x67 s THR 28 N -3.79 5.06 -0.24 7.19 2.01 -0.18 -4.94 115.64 120.74 1x67 s THR 28 Ca -0.01 1.05 0.19 0.00 0.31 0.00 0.00 61.69 63.24 1x67 s THR 28 Cb 0.11 -3.89 0.09 0.00 0.01 0.00 0.00 72.50 68.83 1x67 s THR 28 CO 0.64 0.12 1.31 1.05 -0.69 0.00 0.00 174.62 177.05 1x67 h GLU 29 N 7.58 0.00 -0.03 4.92 4.11 -1.82 -3.35 114.58 125.99 1x67 h GLU 29 Ca -0.31 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.15 1x67 h GLU 29 Cb 1.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 1x67 h GLU 29 CO 0.75 0.24 -0.38 -0.22 0.07 0.00 0.00 179.01 179.47 1x67 h LYS 30 N 0.00 -0.50 -7.14 1.06 3.64 -1.92 -3.42 116.57 108.29 1x67 h LYS 30 Ca -0.03 0.03 -0.49 0.00 -1.27 0.00 0.00 60.65 58.90 1x67 h LYS 30 Cb 1.25 0.11 0.05 0.00 -0.41 0.00 0.00 32.23 33.23 1x67 h LYS 30 CO 0.03 -0.33 0.22 -1.12 -2.27 0.00 0.00 179.45 175.98 1x67 s SER 31 N -4.83 5.90 -0.77 4.20 0.01 -1.26 -5.00 113.70 111.95 1x67 s SER 31 Ca -0.16 0.94 -0.26 0.00 1.31 0.00 0.00 55.95 57.78 1x67 s SER 31 Cb 0.09 -2.03 0.03 0.00 0.21 0.00 0.00 66.02 64.32 1x67 s SER 31 CO 0.64 -0.90 1.32 -2.16 0.41 0.00 0.00 173.24 172.55 1x67 s PRO 32 N -4.98 3.23 -0.29 12.44 0.04 -1.26 -4.90 135.00 139.27 1x67 s PRO 32 Ca 0.52 -0.34 0.04 0.00 0.04 0.00 0.00 61.00 61.27 1x67 s PRO 32 Cb -0.11 -4.35 0.20 0.00 0.04 0.00 0.00 34.50 30.29 1x67 s PRO 32 CO 0.47 -2.18 0.63 0.99 0.04 0.00 0.00 177.00 176.95 1x67 s THR 33 N 5.74 -0.94 -0.13 1.26 2.01 -1.26 -4.36 115.64 117.96 1x67 s THR 33 Ca 0.37 0.00 0.19 0.00 0.31 0.00 0.00 61.69 62.56 1x67 s THR 33 Cb -0.07 -0.95 -0.25 0.00 0.01 0.00 0.00 72.50 71.25 1x67 s THR 33 CO 0.12 0.00 0.38 -0.67 -0.69 0.00 0.00 174.62 173.76 1x67 n ASP 34 N 5.40 0.24 -3.46 3.53 -0.08 -0.23 -4.29 116.55 117.66 1x67 n ASP 34 Ca 0.05 0.11 -0.18 0.00 -1.51 0.00 0.00 54.79 53.25 1x67 n ASP 34 Cb 0.54 1.03 -0.08 0.00 2.34 0.00 0.00 41.12 44.95 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 -2.88 1.59 -0.30 -0.67 1.48 -1.02 -1.36 118.94 115.78 1x67 s TRP 35 Ca -0.08 -1.58 -0.14 0.00 -1.06 0.00 0.00 56.10 53.25 1x67 s TRP 35 Cb 0.09 -0.62 0.16 0.00 -1.16 0.00 0.00 33.47 31.95 1x67 s TRP 35 CO 0.85 -0.87 0.95 0.00 -4.06 0.00 0.00 176.95 173.81 1x67 s ALA 36 N -3.50 -2.70 0.12 2.67 0.00 -0.88 -3.87 121.76 113.61 1x67 s ALA 36 Ca 0.39 2.01 0.02 0.00 0.00 0.00 0.00 51.96 54.39 1x67 s ALA 36 Cb 0.03 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1x67 s ALA 36 CO 0.25 -1.01 0.23 -1.17 0.00 0.00 0.00 175.76 174.05 1x67 s LEU 37 N 2.55 4.24 -0.05 0.00 2.96 0.59 -1.41 118.68 127.56 1x67 s LEU 37 Ca -0.02 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1x67 s LEU 37 Cb -0.07 -2.84 0.04 0.00 0.50 0.00 0.00 46.19 43.82 1x67 s LEU 37 CO -0.17 0.10 0.09 -0.36 -1.32 0.00 0.00 176.35 174.69 1x67 s PHE 38 N -1.65 -0.03 0.22 5.38 0.40 -0.41 -1.81 117.98 120.08 1x67 s PHE 38 Ca 0.34 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 57.06 1x67 s PHE 38 Cb -0.12 -0.37 -0.05 0.00 0.51 0.00 0.00 43.02 43.00 1x67 s PHE 38 CO 0.27 -0.21 0.03 -0.08 0.70 0.00 0.00 175.22 175.94 1x67 s THR 39 N 2.06 0.74 0.99 0.64 -1.32 -0.19 -1.62 115.64 116.93 1x67 s THR 39 Ca 0.02 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.38 1x67 s THR 39 Cb -0.12 -2.37 0.18 0.00 -1.51 0.00 0.00 72.50 68.69 1x67 s THR 39 CO -0.04 -0.26 1.09 -0.31 -2.21 0.00 0.00 174.62 172.88 1x67 s TYR 40 N -3.62 2.06 -0.12 9.09 1.51 -1.26 -0.12 117.35 124.88 1x67 s TYR 40 Ca 0.30 1.09 -0.07 0.00 -1.01 0.00 0.00 57.07 57.38 1x67 s TYR 40 Cb 0.07 -3.22 -0.02 0.00 -0.11 0.00 0.00 41.96 38.67 1x67 s TYR 40 CO 0.09 -2.89 -0.14 1.49 -1.11 0.00 0.00 175.55 172.99 1x67 h GLU 41 N -1.90 0.00 0.00 -0.62 4.81 -1.77 -3.43 114.58 111.67 1x67 h GLU 41 Ca -0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 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 0.56 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.25 1x67 n GLY 42 N 1.65 3.16 1.42 1.92 0.00 -1.26 -5.02 105.19 107.07 1x67 n GLY 42 Ca -0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 3.15 -4.20 1.61 4.13 -1.26 -5.00 115.26 113.70 1x67 n ASN 43 Ca 0.00 -3.78 -0.12 0.00 1.68 0.00 0.00 54.58 52.36 1x67 n ASN 43 Cb 0.00 -0.65 -0.10 0.00 -1.54 0.00 0.00 39.78 37.49 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1x67 s SER 44 N -2.51 0.15 -0.45 6.41 1.04 -1.26 -5.10 113.70 111.98 1x67 s SER 44 Ca 0.48 -1.38 -0.28 0.00 0.48 0.00 0.00 55.95 55.24 1x67 s SER 44 Cb 0.42 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1x67 s SER 44 CO 0.01 -0.84 1.50 0.20 0.98 0.00 0.00 173.24 175.08 1x67 s ASN 45 N -3.16 6.16 -0.32 7.02 0.01 -1.26 -4.63 114.94 118.76 1x67 s ASN 45 Ca 0.39 0.74 -0.09 0.00 -0.71 0.00 0.00 52.86 53.18 1x67 s ASN 45 Cb 0.07 -2.54 0.21 0.00 0.41 0.00 0.00 41.25 39.40 1x67 s ASN 45 CO 0.12 -1.60 1.14 -1.81 -1.51 0.00 0.00 177.10 173.44 1x67 s ASP 46 N 4.62 -0.14 0.47 -1.22 1.01 -1.26 -4.37 116.67 115.77 1x67 s ASP 46 Ca 0.62 -0.15 -0.24 0.00 0.71 0.00 0.00 52.55 53.49 1x67 s ASP 46 Cb -0.14 0.19 -0.07 0.00 1.01 0.00 0.00 42.92 43.90 1x67 s ASP 46 CO 0.30 -0.01 1.35 -0.63 0.21 0.00 0.00 175.17 176.40 1x67 s ILE 47 N 1.18 2.31 0.09 0.77 -1.09 -1.26 -2.67 121.20 120.54 1x67 s ILE 47 Ca 0.21 0.26 -0.15 0.00 -2.23 0.00 0.00 60.65 58.74 1x67 s ILE 47 Cb 0.12 -3.15 0.03 0.00 -1.58 0.00 0.00 42.46 37.89 1x67 s ILE 47 CO -0.12 0.02 0.37 0.00 -1.23 0.00 0.00 174.94 173.98 1x67 s ARG 48 N -2.54 0.98 0.42 2.79 1.70 0.83 -4.40 118.95 118.74 1x67 s ARG 48 Ca 0.63 -0.64 -0.24 0.00 -0.47 0.00 0.00 55.73 55.01 1x67 s ARG 48 Cb -0.40 0.43 -0.11 0.00 -0.57 0.00 0.00 34.95 34.30 1x67 s ARG 48 CO 0.50 -0.36 0.93 0.28 -1.08 0.00 0.00 175.30 175.57 1x67 n VAL 49 N 0.04 2.38 0.00 4.99 0.31 -1.26 -1.03 118.33 123.76 1x67 n VAL 49 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1x67 n VAL 49 Cb 0.62 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -0.59 1.95 -3.63 3.52 0.00 -0.75 -4.61 120.51 116.39 1x67 n ALA 50 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1x67 n ALA 50 Cb 0.39 0.32 -0.06 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 -3.29 0.10 -0.14 0.00 0.00 -1.22 -4.96 107.32 97.80 1x67 s GLY 51 Ca 0.00 2.96 -0.13 0.00 0.00 0.00 0.00 44.72 47.56 1x67 s GLY 51 CO 0.00 1.57 0.38 -0.51 0.00 0.00 0.00 173.10 174.54 1x67 s THR 52 N -0.38 -0.00 -0.03 0.90 -4.23 -1.26 -0.30 115.64 110.34 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 -0.03 -0.54 0.11 0.00 1.34 0.00 0.00 72.50 73.38 1x67 s THR 52 CO -0.09 0.00 1.31 -0.83 -0.54 0.00 0.00 174.62 174.48 1x67 s GLY 53 N 0.32 -0.30 -0.33 3.99 0.00 -1.25 -5.02 107.32 104.74 1x67 s GLY 53 Ca -0.01 0.44 0.09 0.00 0.00 0.00 0.00 44.72 45.24 1x67 s GLY 53 CO -0.01 2.66 1.72 -2.21 0.00 0.00 0.00 173.10 175.26 1x67 n GLU 54 N -0.68 2.95 0.25 2.90 2.13 -1.26 -1.07 120.64 125.87 1x67 n GLU 54 Ca -0.03 -3.07 0.16 0.00 0.66 0.00 0.00 57.16 54.88 1x67 n GLU 54 Cb 0.61 -2.09 0.57 0.00 0.27 0.00 0.00 31.44 30.80 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 1.88 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.87 1x67 h GLY 55 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1x67 h GLY 55 CO 0.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.84 1x67 n GLY 56 N 0.26 0.79 0.09 4.60 0.00 -1.26 -4.38 105.19 105.30 1x67 n GLY 56 Ca 0.01 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 1x67 n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x67 n LEU 57 N 0.00 0.74 0.23 0.99 4.77 -1.26 -3.32 117.00 119.15 1x67 n LEU 57 Ca 0.00 0.33 0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1x67 n LEU 57 Cb 0.00 0.11 0.51 0.00 -2.33 0.00 0.00 43.42 41.72 1x67 n LEU 57 CO 0.00 0.18 0.91 -0.33 -1.33 0.00 0.00 177.39 176.82 1x67 h GLU 58 N 0.00 0.00 0.14 3.23 3.07 -1.97 -2.17 114.58 116.87 1x67 h GLU 58 Ca -0.19 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.32 1x67 h GLU 58 Cb 1.63 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.53 1x67 h GLU 58 CO 0.04 0.17 -1.84 1.49 -1.40 0.00 0.00 179.01 177.48 1x67 h GLU 59 N 0.00 0.30 -0.28 2.33 4.57 -1.76 -3.26 114.58 116.47 1x67 h GLU 59 Ca -0.00 -0.51 0.05 0.00 -1.18 0.00 0.00 59.36 57.72 1x67 h GLU 59 Cb 0.31 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1x67 h GLU 59 CO 0.02 1.24 -0.04 1.98 -1.18 0.00 0.00 179.01 181.03 1x67 h MET 60 N 0.00 0.03 0.00 1.92 4.05 -1.52 -0.57 114.93 118.84 1x67 h MET 60 Ca -0.39 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.00 1x67 h MET 60 Cb 2.00 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.79 1x67 h MET 60 CO 0.10 0.02 -0.18 -0.39 0.23 0.00 0.00 176.91 176.69 1x67 h VAL 61 N 0.03 0.78 0.00 -5.77 -1.51 -1.57 -1.96 116.25 106.25 1x67 h VAL 61 Ca 0.13 -0.71 -0.07 0.00 -1.23 0.00 0.00 66.70 64.83 1x67 h VAL 61 Cb 0.19 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1x67 h VAL 61 CO -0.26 0.17 -0.34 -0.33 -1.23 0.00 0.00 177.57 175.58 1x67 h GLU 62 N 0.00 0.00 0.07 5.19 4.39 -1.17 -3.03 114.58 120.03 1x67 h GLU 62 Ca -0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.42 1x67 h GLU 62 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1x67 h GLU 62 CO 0.02 0.34 -1.38 0.93 -1.16 0.00 0.00 179.01 177.77 1x67 h GLU 63 N 0.00 0.15 -6.19 2.33 4.39 -0.65 -3.46 114.58 111.15 1x67 h GLU 63 Ca -0.00 -0.25 -0.66 0.00 0.34 0.00 0.00 59.36 58.79 1x67 h GLU 63 Cb 0.81 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1x67 h GLU 63 CO 0.04 1.00 1.10 1.28 -1.16 0.00 0.00 179.01 181.27 1x67 n LEU 64 N -3.37 2.99 -4.55 1.33 4.77 -1.02 -4.93 117.00 112.21 1x67 n LEU 64 Ca -0.11 0.91 -0.39 0.00 -0.03 0.00 0.00 56.01 56.40 1x67 n LEU 64 Cb 1.01 -1.30 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1x67 n LEU 64 CO 0.49 -0.25 -0.17 0.21 -1.33 0.00 0.00 177.39 176.34 1x67 s ASN 65 N 4.46 5.93 -0.71 -1.43 3.84 -1.26 -5.02 114.94 120.75 1x67 s ASN 65 Ca 0.97 -0.17 -0.26 0.00 0.21 0.00 0.00 52.86 53.61 1x67 s ASN 65 Cb -0.81 -2.10 -0.03 0.00 -0.55 0.00 0.00 41.25 37.75 1x67 s ASN 65 CO 0.55 -0.11 1.91 -0.94 -2.79 0.00 0.00 177.10 175.72 1x67 s SER 66 N 1.73 5.20 0.00 -4.21 1.04 -1.26 -2.77 113.70 113.42 1x67 s SER 66 Ca 0.07 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1x67 s SER 66 Cb -0.16 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x67 s SER 66 CO 0.10 -2.52 0.00 0.61 0.98 0.00 0.00 173.24 172.41 1x67 n GLY 67 N 6.09 0.31 3.06 7.32 0.00 -1.26 -4.67 105.19 116.04 1x67 n GLY 67 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 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 1.27 0.12 1.61 1.02 -1.12 -4.25 119.74 118.40 1x67 s LYS 68 Ca 0.00 -0.43 -0.31 0.00 0.02 0.00 0.00 55.97 55.25 1x67 s LYS 68 Cb 0.00 -1.15 -0.08 0.00 -0.52 0.00 0.00 37.83 36.08 1x67 s LYS 68 CO 0.00 0.18 1.41 0.08 -0.92 0.00 0.00 175.35 176.10 1x67 s VAL 69 N 0.09 3.23 0.25 3.17 1.01 -1.26 -4.19 120.40 122.70 1x67 s VAL 69 Ca -0.03 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 1x67 s VAL 69 Cb -0.09 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1x67 s VAL 69 CO 0.01 0.07 0.25 -0.04 0.00 0.00 0.00 175.10 175.39 1x67 s MET 70 N 1.14 1.46 -0.07 2.72 -1.94 -0.99 -4.56 119.30 117.06 1x67 s MET 70 Ca 0.65 -1.67 0.02 0.00 -1.71 0.00 0.00 55.69 52.98 1x67 s MET 70 Cb -0.38 0.33 0.02 0.00 2.01 0.00 0.00 34.83 36.81 1x67 s MET 70 CO 0.30 -0.53 -0.11 0.71 -0.01 0.00 0.00 175.02 175.38 1x67 s TYR 71 N -3.85 1.39 0.00 -0.03 1.51 -0.64 -1.88 117.35 113.85 1x67 s TYR 71 Ca 0.36 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 1x67 s TYR 71 Cb 0.04 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1x67 s TYR 71 CO 0.16 -0.30 -0.01 0.00 -1.11 0.00 0.00 175.55 174.29 1x67 s ALA 72 N 0.80 3.24 -0.32 3.71 0.00 -1.05 -1.29 121.76 126.85 1x67 s ALA 72 Ca -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1x67 s ALA 72 Cb -0.15 -1.30 0.12 0.00 0.00 0.00 0.00 23.12 21.79 1x67 s ALA 72 CO 0.02 0.64 0.19 0.12 0.00 0.00 0.00 175.76 176.73 1x67 s PHE 73 N -1.07 0.45 0.44 0.00 5.36 -0.50 -2.98 117.98 119.67 1x67 s PHE 73 Ca 0.19 -1.22 0.08 0.00 -0.96 0.00 0.00 56.93 55.02 1x67 s PHE 73 Cb -0.11 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 41.73 1x67 s PHE 73 CO 0.10 -0.84 0.60 0.00 -1.46 0.00 0.00 175.22 173.62 1x67 s ARG 75 N -4.41 0.30 0.29 0.00 3.52 -0.46 -3.08 118.95 115.12 1x67 s ARG 75 Ca 0.56 -0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.99 1x67 s ARG 75 Cb -0.10 -1.95 -0.06 0.00 -1.56 0.00 0.00 34.95 31.29 1x67 s ARG 75 CO 0.34 -0.66 -0.02 0.14 -0.81 0.00 0.00 175.30 174.30 1x67 s VAL 76 N 2.02 1.43 -0.12 7.11 -7.23 -1.09 -4.97 120.40 117.55 1x67 s VAL 76 Ca 0.01 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 1x67 s VAL 76 Cb -0.16 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1x67 s VAL 76 CO -0.09 -0.21 -0.01 -1.59 -0.31 0.00 0.00 175.10 172.89 1x67 s LYS 77 N -3.79 3.34 1.00 4.82 -2.85 -1.26 -0.37 119.74 120.63 1x67 s LYS 77 Ca 0.31 -0.45 -0.14 0.00 -1.00 0.00 0.00 55.97 54.69 1x67 s LYS 77 Cb 0.06 -2.87 0.08 0.00 -2.06 0.00 0.00 37.83 33.04 1x67 s LYS 77 CO 0.13 0.47 0.45 -0.25 0.10 0.00 0.00 175.35 176.25 1x67 n ASP 78 N 2.84 -1.82 -0.03 0.03 9.92 -0.71 -4.84 116.55 121.94 1x67 n ASP 78 Ca -0.18 0.22 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 1x67 n ASP 78 Cb 0.53 -1.19 -0.11 0.00 -0.64 0.00 0.00 41.12 39.71 1x67 n ASP 78 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x67 h PRO 79 N -1.78 0.13 0.00 -0.24 0.13 -1.93 -3.10 132.00 125.21 1x67 h PRO 79 Ca -0.47 -0.11 -0.45 0.00 -0.87 0.00 0.00 66.00 64.10 1x67 h PRO 79 Cb 1.30 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 1x67 h PRO 79 CO 0.37 0.79 -2.53 0.27 -0.23 0.00 0.00 178.00 176.67 1x67 n ASN 80 N -4.62 1.94 -0.08 1.44 0.23 -1.26 -4.46 115.26 108.46 1x67 n ASN 80 Ca -0.09 0.28 0.10 0.00 -0.53 0.00 0.00 54.58 54.34 1x67 n ASN 80 Cb 0.41 -0.76 0.47 0.00 -2.08 0.00 0.00 39.78 37.83 1x67 n ASN 80 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1x67 h SER 81 N -0.87 0.42 -1.45 0.53 0.87 -1.97 -3.45 113.55 107.63 1x67 h SER 81 Ca -0.68 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 59.46 1x67 h SER 81 Cb 1.64 -0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 63.38 1x67 h SER 81 CO -0.38 0.26 -0.41 0.61 -0.53 0.00 0.00 176.83 176.38 1x67 n GLY 82 N -1.50 1.44 3.81 5.77 0.00 -1.17 -4.92 105.19 108.61 1x67 n GLY 82 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.98 3.86 -0.33 0.99 1.43 -1.26 -4.73 118.68 113.65 1x67 s LEU 83 Ca 0.00 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 1x67 s LEU 83 Cb 0.00 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1x67 s LEU 83 CO 0.00 0.10 1.73 -2.16 0.23 0.00 0.00 176.35 176.25 1x67 s PRO 84 N -2.87 3.40 -0.14 1.29 0.04 -1.26 -1.74 135.00 133.71 1x67 s PRO 84 Ca 0.31 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1x67 s PRO 84 Cb -0.11 -4.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 1x67 s PRO 84 CO 0.23 -1.78 -0.11 0.15 0.04 0.00 0.00 177.00 175.54 1x67 s LYS 85 N 5.49 3.43 -0.10 4.56 -0.14 0.50 -5.00 119.74 128.49 1x67 s LYS 85 Ca 0.77 -0.65 -0.18 0.00 -1.36 0.00 0.00 55.97 54.54 1x67 s LYS 85 Cb -0.21 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.18 1x67 s LYS 85 CO 0.34 0.18 0.49 -0.06 -0.76 0.00 0.00 175.35 175.53 1x67 s PHE 86 N 0.46 3.55 -0.02 3.18 0.08 -1.26 -2.66 117.98 121.31 1x67 s PHE 86 Ca -0.08 0.93 0.01 0.00 0.12 0.00 0.00 56.93 57.91 1x67 s PHE 86 Cb -0.15 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 1x67 s PHE 86 CO 0.04 0.22 -0.00 0.08 -0.10 0.00 0.00 175.22 175.46 1x67 s VAL 87 N 0.43 4.16 -0.15 -0.44 1.01 -1.18 -0.16 120.40 124.07 1x67 s VAL 87 Ca 0.27 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1x67 s VAL 87 Cb -0.16 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1x67 s VAL 87 CO 0.11 0.42 -0.21 -0.22 0.00 0.00 0.00 175.10 175.21 1x67 s LEU 88 N -1.41 2.09 -0.10 3.92 1.98 -0.29 -3.60 118.68 121.27 1x67 s LEU 88 Ca 0.18 -0.61 0.03 0.00 -2.89 0.00 0.00 54.13 50.85 1x67 s LEU 88 Cb -0.11 -1.44 0.00 0.00 0.66 0.00 0.00 46.19 45.30 1x67 s LEU 88 CO 0.08 0.06 -0.22 -0.63 -1.89 0.00 0.00 176.35 173.76 1x67 s ILE 89 N 0.94 1.89 -1.15 6.68 1.01 -1.16 -0.23 121.20 129.19 1x67 s ILE 89 Ca -0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 1x67 s ILE 89 Cb -0.15 -1.65 0.25 0.00 0.01 0.00 0.00 42.46 40.92 1x67 s ILE 89 CO -0.05 0.52 1.36 0.59 0.00 0.00 0.00 174.94 177.36 1x67 n ASN 90 N 3.65 5.63 -4.66 3.58 3.02 -0.40 -2.55 115.26 123.53 1x67 n ASN 90 Ca -0.20 -3.12 -0.50 0.00 -0.03 0.00 0.00 54.58 50.72 1x67 n ASN 90 Cb 0.53 -1.41 -0.05 0.00 -0.61 0.00 0.00 39.78 38.24 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 3.10 2.05 -3.54 3.10 -0.00 -0.79 -3.89 117.44 117.48 1x67 n TRP 91 Ca 0.29 0.35 -0.29 0.00 -0.00 0.00 0.00 57.50 57.85 1x67 n TRP 91 Cb 0.38 -2.50 -0.13 0.00 -0.00 0.00 0.00 31.31 29.06 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 2.10 0.41 0.22 5.87 2.01 -1.10 -2.35 115.64 122.80 1x67 s THR 92 Ca 0.88 -1.73 -0.32 0.00 0.31 0.00 0.00 61.69 60.83 1x67 s THR 92 Cb -0.83 -1.30 -0.14 0.00 0.01 0.00 0.00 72.50 70.23 1x67 s THR 92 CO 0.49 -0.92 1.30 0.61 -0.69 0.00 0.00 174.62 175.42 1x67 n GLY 93 N 4.15 0.47 0.19 4.40 0.00 -1.26 -4.37 105.19 108.77 1x67 n GLY 93 Ca 0.08 0.51 0.03 0.00 0.00 0.00 0.00 46.02 46.63 1x67 n GLY 93 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x67 h GLU 94 N 3.83 0.01 0.00 1.61 4.11 -1.88 -2.54 114.58 119.72 1x67 h GLU 94 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1x67 h GLU 94 Cb 1.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1x67 h GLU 94 CO 0.73 0.36 0.02 0.78 0.07 0.00 0.00 179.01 180.98 1x67 h GLY 95 N 1.06 0.00 -4.96 1.06 0.00 -1.87 -3.41 103.07 94.95 1x67 h GLY 95 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1x67 h GLY 95 CO 0.05 0.00 0.86 0.14 0.00 0.00 0.00 176.54 177.58 1x67 s VAL 96 N -4.10 3.91 1.22 4.60 1.01 -0.96 -5.00 120.40 121.09 1x67 s VAL 96 Ca -0.05 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 1x67 s VAL 96 Cb 0.12 -3.79 0.25 0.00 0.00 0.00 0.00 36.38 32.97 1x67 s VAL 96 CO 0.38 -0.04 0.57 -0.46 0.00 0.00 0.00 175.10 175.56 1x67 n ASN 97 N 5.83 -2.90 0.00 3.32 6.94 -1.26 -4.67 115.26 122.53 1x67 n ASN 97 Ca 0.13 -0.42 -0.18 0.00 -0.02 0.00 0.00 54.58 54.10 1x67 n ASN 97 Cb 0.44 -1.00 -0.11 0.00 -2.36 0.00 0.00 39.78 36.75 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 -2.83 0.59 -0.14 0.53 3.32 -1.95 -1.33 116.42 114.60 1x67 h ASP 98 Ca -0.47 -0.74 0.04 0.00 0.02 0.00 0.00 57.03 55.88 1x67 h ASP 98 Cb 1.22 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1x67 h ASP 98 CO 0.33 1.26 0.15 0.58 -1.72 0.00 0.00 179.24 179.83 1x67 h VAL 99 N -0.02 0.53 0.09 -1.35 2.07 -2.01 -2.13 116.25 113.43 1x67 h VAL 99 Ca -0.08 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.09 1x67 h VAL 99 Cb 1.34 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1x67 h VAL 99 CO 0.13 0.00 -1.93 -1.14 0.02 0.00 0.00 177.57 174.65 1x67 n ARG 100 N -3.88 0.72 -0.27 1.57 3.00 -1.20 -3.60 116.66 112.99 1x67 n ARG 100 Ca 0.01 0.31 0.06 0.00 -0.00 0.00 0.00 57.85 58.22 1x67 n ARG 100 Cb 0.27 -1.70 0.20 0.00 0.00 0.00 0.00 32.46 31.23 1x67 n ARG 100 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1x67 h LYS 101 N -0.14 0.51 0.00 -0.14 1.57 -0.66 0.43 116.57 118.14 1x67 h LYS 101 Ca -0.43 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 1x67 h LYS 101 Cb 1.89 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 34.07 1x67 h LYS 101 CO 0.01 0.33 -0.61 0.78 -0.57 0.00 0.00 179.45 179.40 1x67 h GLY 102 N 0.52 0.00 1.45 3.86 0.00 -1.58 -2.87 103.07 104.44 1x67 h GLY 102 Ca 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.61 1x67 h GLY 102 CO -0.38 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 175.69 1x67 h ALA 103 N 1.39 0.75 0.00 3.60 0.00 -1.05 -3.02 119.26 120.94 1x67 h ALA 103 Ca -0.01 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1x67 h ALA 103 Cb 1.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1x67 h ALA 103 CO 0.08 0.67 -0.58 0.00 0.00 0.00 0.00 179.25 179.42 1x67 h ALA 105 N 1.42 1.76 -0.01 0.00 0.00 -1.37 0.09 119.26 121.16 1x67 h ALA 105 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1x67 h ALA 105 Cb 1.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x67 h ALA 105 CO 0.08 0.07 -0.08 0.77 0.00 0.00 0.00 179.25 180.08 1x67 h SER 106 N 0.73 0.01 0.98 0.00 0.02 -1.61 -1.60 113.55 112.07 1x67 h SER 106 Ca 0.36 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.15 1x67 h SER 106 Cb 0.45 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1x67 h SER 106 CO -0.14 0.10 -0.79 0.45 -1.14 0.00 0.00 176.83 175.31 1x67 h HIS 107 N 0.01 0.00 -0.84 3.45 3.86 -1.13 -3.24 115.15 117.26 1x67 h HIS 107 Ca 0.00 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.37 1x67 h HIS 107 Cb 0.16 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 1x67 h HIS 107 CO 0.00 0.79 0.55 0.28 0.86 0.00 0.00 177.93 180.42 1x67 h VAL 108 N 0.00 0.79 -0.09 2.45 2.07 -0.92 0.18 116.25 120.73 1x67 h VAL 108 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1x67 h VAL 108 Cb 1.50 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1x67 h VAL 108 CO 0.10 0.10 0.00 -1.28 0.02 0.00 0.00 177.57 176.51 1x67 h SER 109 N 0.53 0.10 0.00 0.57 0.87 -1.61 0.23 113.55 114.24 1x67 h SER 109 Ca 0.42 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.87 1x67 h SER 109 Cb 0.86 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1x67 h SER 109 CO -0.17 0.13 -0.57 0.74 -0.53 0.00 0.00 176.83 176.43 1x67 h THR 110 N 0.12 1.33 -0.46 2.23 2.02 -0.89 -3.29 112.91 113.96 1x67 h THR 110 Ca 0.03 -2.21 0.01 0.00 0.77 0.00 0.00 66.41 65.01 1x67 h THR 110 Cb 0.08 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1x67 h THR 110 CO 0.00 0.45 0.30 0.24 0.37 0.00 0.00 175.52 176.88 1x67 h MET 111 N -1.00 0.60 -0.77 6.66 2.07 -1.09 -2.24 114.93 119.16 1x67 h MET 111 Ca -0.15 -0.04 0.14 0.00 -2.07 0.00 0.00 59.70 57.58 1x67 h MET 111 Cb 1.10 -0.14 -0.09 0.00 -1.87 0.00 0.00 31.60 30.60 1x67 h MET 111 CO -0.09 0.40 0.33 0.00 1.07 0.00 0.00 176.91 178.61 1x67 h ALA 112 N 1.18 1.11 -0.42 6.32 0.00 -0.71 0.27 119.26 127.00 1x67 h ALA 112 Ca 0.17 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1x67 h ALA 112 Cb -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1x67 h ALA 112 CO -0.05 -0.18 -0.11 0.77 0.00 0.00 0.00 179.25 179.68 1x67 h SER 113 N 0.49 0.74 0.02 0.00 0.02 -1.52 -3.12 113.55 110.17 1x67 h SER 113 Ca 0.42 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1x67 h SER 113 Cb 0.63 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1x67 h SER 113 CO -0.39 0.87 -0.01 0.15 -1.14 0.00 0.00 176.83 176.32 1x67 h PHE 114 N 0.68 -0.02 -0.38 3.45 3.57 -0.43 -3.17 116.94 120.65 1x67 h PHE 114 Ca 0.12 -0.00 -0.57 0.00 3.53 0.00 0.00 57.97 61.05 1x67 h PHE 114 Cb 0.58 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1x67 h PHE 114 CO 0.03 0.15 2.30 1.28 -2.23 0.00 0.00 178.31 179.85 1x67 n LEU 115 N -5.02 7.65 -4.60 0.59 4.77 -0.34 -4.95 117.00 115.10 1x67 n LEU 115 Ca -0.08 -4.22 -0.28 0.00 -0.03 0.00 0.00 56.01 51.40 1x67 n LEU 115 Cb 0.11 -1.45 0.21 0.00 -2.33 0.00 0.00 43.42 39.96 1x67 n LEU 115 CO 0.33 1.96 0.59 -0.54 -1.33 0.00 0.00 177.39 178.41 1x67 s LYS 116 N 0.76 -0.23 0.00 3.23 -0.14 -1.20 -3.89 119.74 118.28 1x67 s LYS 116 Ca 0.65 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.79 1x67 s LYS 116 Cb 0.23 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 1x67 s LYS 116 CO -0.07 -3.18 0.00 0.41 -0.76 0.00 0.00 175.35 171.75 1x67 n GLY 117 N -0.47 3.22 3.56 -3.33 0.00 -1.26 -5.00 105.19 101.92 1x67 n GLY 117 Ca 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 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 0.80 0.17 4.61 0.00 -1.25 -4.52 120.51 119.13 1x67 n ALA 118 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1x67 n ALA 118 Cb 0.00 -2.49 0.25 0.00 0.00 0.00 0.00 19.45 17.21 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 10.71 0.00 -3.05 0.00 3.86 -0.92 -3.45 115.15 122.29 1x67 h HIS 119 Ca -0.37 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.70 1x67 h HIS 119 Cb 1.31 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.54 1x67 h HIS 119 CO 0.90 0.44 -0.35 0.08 0.86 0.00 0.00 177.93 179.86 1x67 s VAL 120 N -3.43 0.02 0.04 2.45 1.01 -1.21 -5.03 120.40 114.25 1x67 s VAL 120 Ca 0.01 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1x67 s VAL 120 Cb 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1x67 s VAL 120 CO 0.71 -0.10 -0.20 -0.89 0.00 0.00 0.00 175.10 174.62 1x67 s THR 121 N -0.34 2.67 -0.02 3.92 2.01 -1.26 -1.13 115.64 121.47 1x67 s THR 121 Ca -0.05 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 60.71 1x67 s THR 121 Cb -0.03 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.39 1x67 s THR 121 CO 0.01 0.34 0.05 -0.63 -0.69 0.00 0.00 174.62 173.70 1x67 s ILE 122 N -0.91 -0.03 -0.69 1.82 1.01 0.69 -4.96 121.20 118.13 1x67 s ILE 122 Ca 0.14 0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 1x67 s ILE 122 Cb -0.10 -0.10 0.18 0.00 0.01 0.00 0.00 42.46 42.45 1x67 s ILE 122 CO 0.05 0.05 0.58 0.54 0.00 0.00 0.00 174.94 176.16 1x67 s ASN 123 N 0.66 6.06 0.53 3.58 2.20 -1.26 -1.28 114.94 125.43 1x67 s ASN 123 Ca -0.05 -2.58 0.07 0.00 -0.94 0.00 0.00 52.86 49.36 1x67 s ASN 123 Cb -0.08 -2.06 0.04 0.00 -2.00 0.00 0.00 41.25 37.16 1x67 s ASN 123 CO -0.02 -0.54 0.55 0.00 -2.94 0.00 0.00 177.10 174.14 1x67 s ALA 124 N 0.35 4.47 0.00 3.54 0.00 -1.25 -4.97 121.76 123.90 1x67 s ALA 124 Ca 0.15 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1x67 s ALA 124 Cb -0.17 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1x67 s ALA 124 CO -0.05 -0.55 0.00 0.54 0.00 0.00 0.00 175.76 175.70 1x67 n ARG 125 N -1.90 0.00 -3.14 0.00 3.00 -1.26 -2.71 116.66 110.64 1x67 n ARG 125 Ca 0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.70 1x67 n ARG 125 Cb 0.63 -0.30 0.01 0.00 0.00 0.00 0.00 32.46 32.79 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 4.07 0.25 7.54 0.00 -1.26 -4.23 121.76 126.88 1x67 s ALA 126 Ca 0.00 -1.33 0.22 0.00 0.00 0.00 0.00 51.96 50.85 1x67 s ALA 126 Cb 0.00 -1.88 0.97 0.00 0.00 0.00 0.00 23.12 22.21 1x67 s ALA 126 CO 0.00 -0.27 1.87 0.93 0.00 0.00 0.00 175.76 178.28 1x67 h GLU 127 N 0.59 0.00 0.00 0.00 3.07 -1.96 -2.53 114.58 113.75 1x67 h GLU 127 Ca -0.45 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.36 1x67 h GLU 127 Cb 1.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.17 1x67 h GLU 127 CO 0.53 0.26 -0.26 1.05 -1.40 0.00 0.00 179.01 179.19 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.92 114.58 115.24 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.21 1x67 h GLU 128 Cb 0.67 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.79 1x67 h GLU 128 CO 0.03 0.26 0.27 -0.25 0.07 0.00 0.00 179.01 179.40 1x67 n ASP 129 N -3.34 4.15 -0.97 3.06 8.00 -0.95 -3.98 116.55 122.51 1x67 n ASP 129 Ca 0.01 -3.01 -0.01 0.00 0.71 0.00 0.00 54.79 52.48 1x67 n ASP 129 Cb 0.49 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x67 n VAL 130 N -0.18 0.00 -1.77 2.53 0.24 -1.11 -4.65 118.33 113.39 1x67 n VAL 130 Ca 0.35 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1x67 n VAL 130 Cb 1.22 0.56 0.04 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 2.95 0.17 7.34 8.01 -1.23 -4.85 118.70 131.09 1x67 s GLU 131 Ca 0.10 0.65 -0.22 0.00 0.01 0.00 0.00 54.97 55.52 1x67 s GLU 131 Cb 0.12 -2.01 0.08 0.00 -4.31 0.00 0.00 34.13 28.00 1x67 s GLU 131 CO -0.05 -1.02 1.60 -1.35 0.01 0.00 0.00 175.26 174.45 1x67 h PRO 132 N -0.65 -0.21 -0.14 0.39 0.11 -1.94 0.16 132.00 129.72 1x67 h PRO 132 Ca -0.45 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1x67 h PRO 132 Cb 1.23 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1x67 h PRO 132 CO 0.61 -0.14 -0.27 1.05 -0.21 0.00 0.00 178.00 179.04 1x67 h GLU 133 N -0.22 0.26 0.00 1.05 4.11 -1.97 0.16 114.58 117.97 1x67 h GLU 133 Ca 0.19 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.50 1x67 h GLU 133 Cb 0.53 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1x67 h GLU 133 CO -0.56 0.51 -0.12 0.00 0.07 0.00 0.00 179.01 178.92 1x67 n ILE 135 N -3.87 1.56 0.25 0.00 5.41 -0.49 -4.31 119.36 117.90 1x67 n ILE 135 Ca -0.02 -0.53 0.11 0.00 1.00 0.00 0.00 62.75 63.30 1x67 n ILE 135 Cb 0.22 -1.58 0.67 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.19 0.00 0.00 0.38 2.86 -0.63 -1.60 114.93 115.75 1x67 h MET 136 Ca -0.56 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.03 1x67 h MET 136 Cb 1.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.51 1x67 h MET 136 CO -0.11 0.14 -0.23 0.93 1.06 0.00 0.00 176.91 178.69 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -1.17 -2.85 114.58 116.67 1x67 h GLU 137 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1x67 h GLU 137 Cb 0.34 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1x67 h GLU 137 CO 0.02 0.23 -1.88 1.63 -1.16 0.00 0.00 179.01 177.85 1x67 n LYS 138 N -3.75 0.65 -0.08 2.33 5.02 -0.70 -4.20 118.16 117.44 1x67 n LYS 138 Ca -0.01 0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1x67 n LYS 138 Cb 0.34 -1.67 0.31 0.00 -0.02 0.00 0.00 35.03 33.99 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 1.17 0.00 -0.18 2.07 -1.10 -1.68 116.25 116.53 1x67 h VAL 139 Ca -0.31 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1x67 h VAL 139 Cb 1.85 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1x67 h VAL 139 CO 0.04 0.19 -0.31 0.00 0.02 0.00 0.00 177.57 177.52 1x67 h ALA 140 N 1.57 1.33 -1.58 1.67 0.00 -1.69 -3.40 119.26 117.17 1x67 h ALA 140 Ca 0.18 -0.28 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 1x67 h ALA 140 Cb 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1x67 h ALA 140 CO -0.03 0.39 0.91 0.45 0.00 0.00 0.00 179.25 180.97 1x67 s SER 141 N -6.72 6.36 0.47 0.00 0.15 -0.63 -4.97 113.70 108.36 1x67 s SER 141 Ca -0.02 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.57 1x67 s SER 141 Cb 0.14 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1x67 s SER 141 CO 0.69 -1.51 0.26 -0.83 1.20 0.00 0.00 173.24 173.05 1x67 s GLY 142 N 3.12 2.41 0.12 9.45 0.00 -1.26 -4.99 107.32 116.17 1x67 s GLY 142 Ca 0.39 -1.58 -0.35 0.00 0.00 0.00 0.00 44.72 43.17 1x67 s GLY 142 CO 0.22 -1.93 1.31 -1.05 0.00 0.00 0.00 173.10 171.65 1x67 n PRO 143 N -1.47 1.28 -3.67 2.90 -0.02 -1.26 -4.98 135.00 127.78 1x67 n PRO 143 Ca -0.03 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1x67 n PRO 143 Cb 0.64 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.93 1x67 n PRO 143 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1x67 s SER 144 N 0.37 0.07 -0.21 2.55 0.01 -1.26 -5.14 113.70 110.09 1x67 s SER 144 Ca 0.80 0.73 -0.12 0.00 1.31 0.00 0.00 55.95 58.67 1x67 s SER 144 Cb -0.89 0.89 0.07 0.00 0.21 0.00 0.00 66.02 66.30 1x67 s SER 144 CO 0.48 -0.23 0.52 -0.94 0.41 0.00 0.00 173.24 173.48 1x67 s SER 145 N 2.34 -0.68 0.00 2.44 1.04 -1.26 -5.32 113.70 112.26 1x67 s SER 145 Ca -0.01 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.56 1x67 s SER 145 Cb -0.12 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1x67 s SER 145 CO -0.10 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.52