#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 -8.73 -0.06 1.61 2.88 -1.26 -4.77 113.62 103.29 1x67 n SER 2 Ca 0.00 0.73 -0.04 0.00 -1.33 0.00 0.00 58.87 58.23 1x67 n SER 2 Cb 0.00 -4.53 -0.01 0.00 -0.75 0.00 0.00 64.21 58.92 1x67 n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x67 h SER 3 N -1.37 0.00 0.00 -3.46 0.02 -2.10 -3.49 113.55 103.15 1x67 h SER 3 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1x67 h SER 3 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1x67 h SER 3 CO 0.02 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1x67 n GLY 4 N 1.64 -0.88 3.41 -3.77 0.00 -1.26 -5.16 105.19 99.17 1x67 n GLY 4 Ca -0.06 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1x67 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x67 s SER 5 N 0.00 -0.71 0.36 1.61 0.01 -1.26 -5.15 113.70 108.56 1x67 s SER 5 Ca 0.00 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1x67 s SER 5 Cb 0.00 1.78 0.00 0.00 0.21 0.00 0.00 66.02 68.01 1x67 s SER 5 CO 0.00 -0.14 0.00 -1.20 0.41 0.00 0.00 173.24 172.31 1x67 n SER 6 N 5.12 -8.23 0.00 2.44 7.64 -1.26 -5.03 113.62 114.30 1x67 n SER 6 Ca -0.09 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1x67 n SER 6 Cb 0.52 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 1x67 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 7 N -4.14 1.01 2.57 0.23 0.00 -1.26 -4.82 105.19 98.78 1x67 n GLY 7 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1x67 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x67 n MET 8 N 0.00 2.26 -4.56 1.61 2.81 -1.26 -5.08 117.12 112.90 1x67 n MET 8 Ca 0.00 -3.73 -0.26 0.00 -1.81 0.00 0.00 57.70 51.91 1x67 n MET 8 Cb 0.00 -1.77 -0.11 0.00 -0.71 0.00 0.00 33.22 30.63 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x67 s ALA 9 N -3.61 2.91 -0.10 3.04 0.00 -1.26 -4.91 121.76 117.83 1x67 s ALA 9 Ca 0.35 -2.18 -0.36 0.00 0.00 0.00 0.00 51.96 49.77 1x67 s ALA 9 Cb 0.38 0.21 -0.13 0.00 0.00 0.00 0.00 23.12 23.57 1x67 s ALA 9 CO -0.02 -0.11 1.78 0.00 0.00 0.00 0.00 175.76 177.42 1x67 n ALA 10 N -0.85 0.56 -2.74 0.00 0.00 -1.26 -4.91 120.51 111.32 1x67 n ALA 10 Ca -0.05 0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.30 1x67 n ALA 10 Cb 0.66 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1x67 n ALA 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x67 s ASN 11 N 3.39 6.23 -0.40 0.00 2.47 -1.26 -4.91 114.94 120.46 1x67 s ASN 11 Ca 0.92 -0.87 0.05 0.00 0.42 0.00 0.00 52.86 53.38 1x67 s ASN 11 Cb -0.80 -2.29 0.54 0.00 -1.45 0.00 0.00 41.25 37.26 1x67 s ASN 11 CO 0.53 -0.87 1.67 0.18 -3.72 0.00 0.00 177.10 174.90 1x67 n LEU 12 N 6.13 5.60 -0.10 3.21 4.32 -1.26 -2.75 117.00 132.16 1x67 n LEU 12 Ca -0.06 -3.92 -0.24 0.00 -0.02 0.00 0.00 56.01 51.77 1x67 n LEU 12 Cb 0.46 -0.73 -0.11 0.00 -1.62 0.00 0.00 43.42 41.41 1x67 n LEU 12 CO 0.53 1.32 -0.88 -0.24 -1.22 0.00 0.00 177.39 176.91 1x67 n SER 13 N -1.06 1.93 0.01 -1.43 2.88 -1.26 -3.30 113.62 111.39 1x67 n SER 13 Ca 0.48 0.33 -0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1x67 n SER 13 Cb 1.17 -0.87 -0.04 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.37 -1.37 -1.46 3.08 -1.93 -2.41 114.38 109.14 1x67 h ARG 14 Ca -0.47 0.03 -0.69 0.00 0.07 0.00 0.00 59.98 58.92 1x67 h ARG 14 Cb 1.54 0.08 -0.31 0.00 0.08 0.00 0.00 29.97 31.36 1x67 h ARG 14 CO -0.22 -0.25 0.56 0.09 -1.07 0.00 0.00 179.97 179.08 1x67 n ASN 15 N -5.40 6.98 0.00 7.04 3.02 -1.26 -4.82 115.26 120.82 1x67 n ASN 15 Ca -0.03 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.72 1x67 n ASN 15 Cb 0.31 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1x67 n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x67 n GLY 16 N -0.72 -2.77 0.34 7.41 0.00 -0.91 -0.22 105.19 108.32 1x67 n GLY 16 Ca 0.55 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.91 1x67 n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x67 h PRO 17 N 0.00 0.68 0.79 1.61 0.11 -1.87 0.15 132.00 133.46 1x67 h PRO 17 Ca 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1x67 h PRO 17 Cb 0.00 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 30.97 1x67 h PRO 17 CO 0.00 0.45 -0.38 0.00 -0.21 0.00 0.00 178.00 177.86 1x67 h ALA 18 N 1.64 -1.06 -0.08 -0.75 0.00 -1.89 0.24 119.26 117.36 1x67 h ALA 18 Ca 0.56 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1x67 h ALA 18 Cb 0.89 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1x67 h ALA 18 CO -0.40 -1.06 -0.02 -0.07 0.00 0.00 0.00 179.25 177.71 1x67 h LEU 19 N -1.14 -0.08 -1.63 0.00 3.38 -0.11 -1.74 115.31 114.00 1x67 h LEU 19 Ca -0.11 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1x67 h LEU 19 Cb 0.83 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1x67 h LEU 19 CO 0.18 -0.03 0.26 -0.61 0.09 0.00 0.00 178.44 178.33 1x67 h GLN 20 N -0.00 0.50 0.05 1.13 4.15 -0.73 -2.59 115.11 117.62 1x67 h GLN 20 Ca 0.04 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1x67 h GLN 20 Cb 0.06 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1x67 h GLN 20 CO -0.09 0.33 -0.02 1.49 -1.93 0.00 0.00 178.83 178.61 1x67 h GLU 21 N 0.51 -0.06 -0.12 1.69 4.81 0.21 -0.43 114.58 121.20 1x67 h GLU 21 Ca 0.15 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1x67 h GLU 21 Cb -0.02 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1x67 h GLU 21 CO -0.03 0.17 0.14 0.00 -0.73 0.00 0.00 179.01 178.55 1x67 h ALA 22 N 0.65 1.69 0.16 2.92 0.00 -0.97 -1.09 119.26 122.61 1x67 h ALA 22 Ca -0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1x67 h ALA 22 Cb 0.26 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1x67 h ALA 22 CO 0.01 -0.20 -1.59 -0.92 0.00 0.00 0.00 179.25 176.55 1x67 h TYR 23 N 0.00 0.61 0.00 0.00 3.20 -1.14 -3.06 116.97 116.58 1x67 h TYR 23 Ca 0.06 -0.45 -0.05 0.00 3.14 0.00 0.00 58.73 61.43 1x67 h TYR 23 Cb 0.33 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1x67 h TYR 23 CO 0.00 1.50 -0.22 0.28 -1.64 0.00 0.00 178.16 178.08 1x67 h VAL 24 N 0.09 0.66 0.05 1.81 2.07 0.09 -2.95 116.25 118.08 1x67 h VAL 24 Ca -0.27 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 1x67 h VAL 24 Cb 2.06 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1x67 h VAL 24 CO 0.18 0.22 -0.32 0.03 0.02 0.00 0.00 177.57 177.70 1x67 h ARG 25 N 0.00 0.13 -0.17 1.57 3.08 -1.35 -2.15 114.38 115.49 1x67 h ARG 25 Ca -0.00 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 59.89 1x67 h ARG 25 Cb 0.62 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1x67 h ARG 25 CO 0.03 1.08 0.19 0.28 -1.07 0.00 0.00 179.97 180.48 1x67 h VAL 26 N -0.72 0.45 0.00 2.04 2.07 -1.48 0.17 116.25 118.78 1x67 h VAL 26 Ca -0.05 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1x67 h VAL 26 Cb 1.23 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1x67 h VAL 26 CO 0.06 0.00 -1.55 1.33 0.02 0.00 0.00 177.57 177.43 1x67 n VAL 27 N -3.77 0.84 -3.26 2.57 0.24 -1.12 -4.70 118.33 109.13 1x67 n VAL 27 Ca 0.01 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.34 61.27 1x67 n VAL 27 Cb 0.31 -0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 32.14 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 -3.10 5.05 -0.06 3.34 2.01 0.05 -4.93 115.64 118.00 1x67 s THR 28 Ca -0.04 0.53 0.30 0.00 0.31 0.00 0.00 61.69 62.79 1x67 s THR 28 Cb 0.10 -3.89 0.37 0.00 0.01 0.00 0.00 72.50 69.09 1x67 s THR 28 CO 0.83 -0.08 1.87 1.05 -0.69 0.00 0.00 174.62 177.60 1x67 h GLU 29 N 8.29 0.00 -0.03 4.92 4.11 -1.88 -3.27 114.58 126.72 1x67 h GLU 29 Ca -0.29 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.18 1x67 h GLU 29 Cb 1.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1x67 h GLU 29 CO 0.74 0.01 -0.38 -0.22 0.07 0.00 0.00 179.01 179.22 1x67 h LYS 30 N 0.00 -0.50 -7.00 1.06 3.11 -1.91 -3.42 116.57 107.90 1x67 h LYS 30 Ca -0.00 0.03 -0.48 0.00 -2.81 0.00 0.00 60.65 57.39 1x67 h LYS 30 Cb 0.66 0.11 0.04 0.00 -1.00 0.00 0.00 32.23 32.05 1x67 h LYS 30 CO 0.00 -0.33 0.13 -1.12 -2.81 0.00 0.00 179.45 175.32 1x67 s SER 31 N -4.83 5.94 -0.76 4.20 0.01 -1.23 -5.01 113.70 112.01 1x67 s SER 31 Ca -0.16 0.80 -0.26 0.00 1.31 0.00 0.00 55.95 57.64 1x67 s SER 31 Cb 0.09 -1.97 0.04 0.00 0.21 0.00 0.00 66.02 64.39 1x67 s SER 31 CO 0.64 -0.80 1.25 -2.16 0.41 0.00 0.00 173.24 172.58 1x67 s PRO 32 N -4.84 3.23 -0.31 12.44 0.04 -1.26 -4.90 135.00 139.39 1x67 s PRO 32 Ca 0.50 -0.47 0.05 0.00 0.04 0.00 0.00 61.00 61.13 1x67 s PRO 32 Cb -0.10 -4.34 0.20 0.00 0.04 0.00 0.00 34.50 30.29 1x67 s PRO 32 CO 0.45 -2.10 0.63 0.99 0.04 0.00 0.00 177.00 177.01 1x67 s THR 33 N 5.33 -0.94 -0.12 1.26 2.01 -1.26 -4.29 115.64 117.62 1x67 s THR 33 Ca 0.34 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.52 1x67 s THR 33 Cb -0.08 -0.75 -0.20 0.00 0.01 0.00 0.00 72.50 71.48 1x67 s THR 33 CO 0.11 0.00 0.58 -0.67 -0.69 0.00 0.00 174.62 173.95 1x67 n ASP 34 N 5.19 0.52 -3.67 3.53 -0.08 -0.74 -4.20 116.55 117.09 1x67 n ASP 34 Ca 0.06 0.23 -0.19 0.00 -1.51 0.00 0.00 54.79 53.38 1x67 n ASP 34 Cb 0.55 0.65 -0.09 0.00 2.34 0.00 0.00 41.12 44.57 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 -2.91 1.64 -0.30 -0.67 1.48 -1.11 -1.63 118.94 115.45 1x67 s TRP 35 Ca -0.05 -1.54 -0.16 0.00 -1.06 0.00 0.00 56.10 53.29 1x67 s TRP 35 Cb 0.09 -0.76 0.16 0.00 -1.16 0.00 0.00 33.47 31.80 1x67 s TRP 35 CO 0.83 -0.72 1.01 0.00 -4.06 0.00 0.00 176.95 174.01 1x67 s ALA 36 N -3.56 -2.59 0.10 2.67 0.00 -0.94 -3.91 121.76 113.54 1x67 s ALA 36 Ca 0.38 2.09 0.02 0.00 0.00 0.00 0.00 51.96 54.44 1x67 s ALA 36 Cb 0.03 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1x67 s ALA 36 CO 0.22 -0.73 0.21 -1.17 0.00 0.00 0.00 175.76 174.30 1x67 s LEU 37 N 2.00 4.24 -0.15 0.00 2.96 -0.77 -1.74 118.68 125.23 1x67 s LEU 37 Ca -0.05 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1x67 s LEU 37 Cb -0.05 -2.84 0.07 0.00 0.50 0.00 0.00 46.19 43.87 1x67 s LEU 37 CO -0.16 0.12 0.21 -0.36 -1.32 0.00 0.00 176.35 174.84 1x67 s PHE 38 N -1.60 -0.27 0.26 5.38 0.08 -0.75 -1.00 117.98 120.09 1x67 s PHE 38 Ca 0.34 0.51 0.02 0.00 0.12 0.00 0.00 56.93 57.91 1x67 s PHE 38 Cb -0.12 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 42.02 1x67 s PHE 38 CO 0.27 -0.44 0.09 -0.08 -0.10 0.00 0.00 175.22 174.96 1x67 s THR 39 N 2.33 0.64 0.89 0.64 -1.32 -0.67 -2.01 115.64 116.14 1x67 s THR 39 Ca 0.04 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.41 1x67 s THR 39 Cb -0.14 -2.63 0.12 0.00 -1.51 0.00 0.00 72.50 68.35 1x67 s THR 39 CO -0.09 -0.03 1.09 -0.31 -2.21 0.00 0.00 174.62 173.07 1x67 s TYR 40 N -3.69 2.35 0.24 9.09 2.02 -1.26 -0.13 117.35 125.97 1x67 s TYR 40 Ca 0.37 1.27 -0.02 0.00 -0.37 0.00 0.00 57.07 58.32 1x67 s TYR 40 Cb 0.08 -3.15 0.28 0.00 -0.40 0.00 0.00 41.96 38.76 1x67 s TYR 40 CO 0.13 -2.34 1.69 1.49 -1.57 0.00 0.00 175.55 174.95 1x67 h GLU 41 N -1.51 0.73 0.00 -0.62 4.22 -1.64 -3.44 114.58 112.32 1x67 h GLU 41 Ca -0.49 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 58.70 1x67 h GLU 41 Cb 1.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1x67 h GLU 41 CO 0.54 0.84 0.00 0.41 -2.18 0.00 0.00 179.01 178.62 1x67 n GLY 42 N -0.40 0.74 0.00 1.92 0.00 -1.26 -4.99 105.19 101.20 1x67 n GLY 42 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1x67 n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x67 n ASN 43 N 0.00 0.00 -2.37 1.61 2.85 -1.26 -5.16 115.26 110.93 1x67 n ASN 43 Ca 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.39 1x67 n ASN 43 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1x67 n ASN 43 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1x67 n SER 44 N -0.30 -1.38 -4.59 1.20 3.41 -1.26 -5.11 113.62 105.59 1x67 n SER 44 Ca 0.00 -2.26 -0.42 0.00 -0.26 0.00 0.00 58.87 55.93 1x67 n SER 44 Cb 0.00 2.39 -0.02 0.00 -0.26 0.00 0.00 64.21 66.31 1x67 n SER 44 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1x67 s ASN 45 N -2.54 6.06 -0.33 4.04 0.01 -1.26 -4.41 114.94 116.50 1x67 s ASN 45 Ca 0.16 0.84 -0.08 0.00 -0.71 0.00 0.00 52.86 53.07 1x67 s ASN 45 Cb -0.02 -2.54 0.19 0.00 0.41 0.00 0.00 41.25 39.29 1x67 s ASN 45 CO 0.12 -1.66 1.01 -0.62 -1.51 0.00 0.00 177.10 174.44 1x67 s ASP 46 N 5.10 -0.43 0.40 -1.22 2.15 -1.26 -4.33 116.67 117.08 1x67 s ASP 46 Ca 0.66 -0.22 -0.27 0.00 0.43 0.00 0.00 52.55 53.15 1x67 s ASP 46 Cb -0.16 0.55 -0.09 0.00 -0.30 0.00 0.00 42.92 42.92 1x67 s ASP 46 CO 0.31 -0.05 1.37 -0.63 -0.17 0.00 0.00 175.17 176.00 1x67 s ILE 47 N 1.94 2.37 -0.17 4.11 -1.09 -1.11 -2.13 121.20 125.12 1x67 s ILE 47 Ca 0.15 0.35 -0.15 0.00 -2.23 0.00 0.00 60.65 58.77 1x67 s ILE 47 Cb 0.03 -3.21 0.05 0.00 -1.58 0.00 0.00 42.46 37.74 1x67 s ILE 47 CO -0.14 0.06 0.45 0.00 -1.23 0.00 0.00 174.94 174.09 1x67 s ARG 48 N -2.19 0.52 -0.00 2.79 1.70 0.82 -4.62 118.95 117.96 1x67 s ARG 48 Ca 0.56 0.66 -0.35 0.00 -0.47 0.00 0.00 55.73 56.14 1x67 s ARG 48 Cb -0.42 0.22 -0.13 0.00 -0.57 0.00 0.00 34.95 34.06 1x67 s ARG 48 CO 0.54 -0.08 1.74 1.55 -1.08 0.00 0.00 175.30 177.97 1x67 n VAL 49 N 3.05 0.33 0.08 4.99 3.14 -1.26 -1.67 118.33 126.98 1x67 n VAL 49 Ca -0.15 -0.06 -0.22 0.00 -2.96 0.00 0.00 64.34 60.95 1x67 n VAL 49 Cb 0.57 -1.66 -0.15 0.00 -1.06 0.00 0.00 33.84 31.53 1x67 n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x67 h ALA 50 N 7.69 -0.07 -1.30 1.55 0.00 -1.38 -3.46 119.26 122.29 1x67 h ALA 50 Ca -0.47 -0.82 0.26 0.00 0.00 0.00 0.00 54.91 53.88 1x67 h ALA 50 Cb 1.27 0.19 -0.21 0.00 0.00 0.00 0.00 17.79 19.05 1x67 h ALA 50 CO 0.92 0.57 0.87 0.20 0.00 0.00 0.00 179.25 181.81 1x67 s GLY 51 N -4.59 -0.20 -0.05 0.00 0.00 -1.25 -5.00 107.32 96.24 1x67 s GLY 51 Ca -0.13 1.92 -0.04 0.00 0.00 0.00 0.00 44.72 46.47 1x67 s GLY 51 CO 0.86 0.69 0.13 -0.51 0.00 0.00 0.00 173.10 174.27 1x67 s THR 52 N -2.01 -0.00 0.16 0.90 -4.23 -1.26 -1.84 115.64 107.35 1x67 s THR 52 Ca 0.09 0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.37 1x67 s THR 52 Cb -0.01 -0.19 0.06 0.00 1.34 0.00 0.00 72.50 73.71 1x67 s THR 52 CO -0.04 0.01 0.96 -0.83 -0.54 0.00 0.00 174.62 174.17 1x67 s GLY 53 N 0.15 -0.21 -0.33 3.99 0.00 -1.25 -5.03 107.32 104.63 1x67 s GLY 53 Ca -0.01 0.09 0.09 0.00 0.00 0.00 0.00 44.72 44.90 1x67 s GLY 53 CO -0.00 0.08 1.73 -2.21 0.00 0.00 0.00 173.10 172.69 1x67 n GLU 54 N -0.48 2.95 0.28 2.90 2.13 -1.26 -1.80 120.64 125.36 1x67 n GLU 54 Ca -0.06 -3.07 0.17 0.00 0.66 0.00 0.00 57.16 54.87 1x67 n GLU 54 Cb 0.61 -2.10 0.73 0.00 0.27 0.00 0.00 31.44 30.94 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 -3.45 103.07 107.86 1x67 h GLY 55 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1x67 h GLY 55 CO 0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1x67 n GLY 56 N -0.07 -0.99 0.10 4.60 0.00 -1.26 -4.32 105.19 103.25 1x67 n GLY 56 Ca 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.49 0.99 3.38 -1.94 -2.72 115.31 113.52 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 0.73 -0.26 -0.33 0.09 0.00 0.00 178.44 178.67 1x67 h GLU 58 N 0.00 0.00 0.03 1.13 4.39 -1.96 -2.23 114.58 115.95 1x67 h GLU 58 Ca -0.01 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.38 1x67 h GLU 58 Cb 1.56 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.17 1x67 h GLU 58 CO 0.09 0.26 -1.78 -1.91 -1.16 0.00 0.00 179.01 174.51 1x67 n GLU 59 N -4.16 0.67 -0.29 2.33 4.07 -1.22 -3.24 120.64 118.79 1x67 n GLU 59 Ca -0.02 0.29 -0.05 0.00 -0.06 0.00 0.00 57.16 57.32 1x67 n GLU 59 Cb 0.31 -1.78 0.07 0.00 -0.06 0.00 0.00 31.44 29.99 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 0.02 1.17 0.00 5.31 4.05 -1.26 -2.61 114.93 121.61 1x67 h MET 60 Ca -0.32 -0.18 -0.19 0.00 -0.28 0.00 0.00 59.70 58.73 1x67 h MET 60 Cb 2.02 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 32.59 1x67 h MET 60 CO 0.08 0.91 -0.86 -0.39 0.23 0.00 0.00 176.91 176.88 1x67 h VAL 61 N 1.14 1.57 0.00 -5.77 -1.51 -1.56 -3.14 116.25 106.98 1x67 h VAL 61 Ca 0.27 -2.81 -0.02 0.00 -1.23 0.00 0.00 66.70 62.92 1x67 h VAL 61 Cb 0.15 2.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1x67 h VAL 61 CO -0.03 0.81 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.71 1x67 h GLU 62 N 0.03 0.00 0.07 5.19 4.39 -1.45 -2.10 114.58 120.71 1x67 h GLU 62 Ca -0.02 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.41 1x67 h GLU 62 Cb 1.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1x67 h GLU 62 CO 0.12 0.08 -1.34 0.93 -1.16 0.00 0.00 179.01 177.64 1x67 h GLU 63 N 0.00 0.15 -6.51 2.33 4.39 -1.45 -3.46 114.58 110.04 1x67 h GLU 63 Ca -0.00 -0.26 -0.61 0.00 0.34 0.00 0.00 59.36 58.83 1x67 h GLU 63 Cb 0.18 0.10 0.09 0.00 -0.10 0.00 0.00 28.75 29.02 1x67 h GLU 63 CO 0.01 1.03 0.39 1.28 -1.16 0.00 0.00 179.01 180.56 1x67 n LEU 64 N -3.39 2.40 -4.11 1.33 4.77 -0.79 -4.98 117.00 112.23 1x67 n LEU 64 Ca -0.10 1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 56.71 1x67 n LEU 64 Cb 1.01 -1.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.60 1x67 n LEU 64 CO 0.50 -0.93 -0.52 0.21 -1.33 0.00 0.00 177.39 175.31 1x67 s ASN 65 N -0.05 3.19 -0.64 -1.43 3.84 -1.26 -5.03 114.94 113.57 1x67 s ASN 65 Ca 0.66 -0.69 -0.26 0.00 0.21 0.00 0.00 52.86 52.78 1x67 s ASN 65 Cb -0.71 -1.47 -0.02 0.00 -0.55 0.00 0.00 41.25 38.49 1x67 s ASN 65 CO 0.54 -0.01 1.86 -0.94 -2.79 0.00 0.00 177.10 175.76 1x67 s SER 66 N 1.29 5.27 0.00 -4.21 1.04 -1.26 -2.82 113.70 113.01 1x67 s SER 66 Ca 0.04 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1x67 s SER 66 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1x67 s SER 66 CO -0.12 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.30 1x67 n GLY 67 N 5.79 0.47 3.06 7.32 0.00 -1.26 -4.71 105.19 115.86 1x67 n GLY 67 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 1.64 0.11 1.61 1.02 -1.13 -4.38 119.74 118.61 1x67 s LYS 68 Ca 0.00 -0.47 -0.31 0.00 0.02 0.00 0.00 55.97 55.21 1x67 s LYS 68 Cb 0.00 -1.39 -0.08 0.00 -0.52 0.00 0.00 37.83 35.84 1x67 s LYS 68 CO 0.00 0.11 1.47 0.08 -0.92 0.00 0.00 175.35 176.09 1x67 s VAL 69 N 0.38 3.13 0.35 3.17 1.01 -1.26 -4.20 120.40 122.98 1x67 s VAL 69 Ca -0.09 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1x67 s VAL 69 Cb -0.13 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1x67 s VAL 69 CO 0.03 0.05 0.39 -0.04 0.00 0.00 0.00 175.10 175.53 1x67 s MET 70 N 1.40 1.89 -0.03 2.72 -1.94 -1.01 -4.63 119.30 117.71 1x67 s MET 70 Ca 0.67 -1.94 0.02 0.00 -1.71 0.00 0.00 55.69 52.73 1x67 s MET 70 Cb -0.38 0.39 0.01 0.00 2.01 0.00 0.00 34.83 36.86 1x67 s MET 70 CO 0.30 -0.75 -0.06 0.71 -0.01 0.00 0.00 175.02 175.22 1x67 s TYR 71 N -3.14 0.75 -0.12 -0.03 1.51 -0.85 -1.96 117.35 113.51 1x67 s TYR 71 Ca 0.36 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.24 1x67 s TYR 71 Cb 0.01 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.24 1x67 s TYR 71 CO 0.25 -0.14 -0.17 0.00 -1.11 0.00 0.00 175.55 174.38 1x67 s ALA 72 N 0.57 2.45 -0.30 3.71 0.00 -0.77 -1.80 121.76 125.62 1x67 s ALA 72 Ca -0.08 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1x67 s ALA 72 Cb -0.11 -1.07 0.09 0.00 0.00 0.00 0.00 23.12 22.02 1x67 s ALA 72 CO 0.00 0.23 0.03 0.12 0.00 0.00 0.00 175.76 176.15 1x67 s PHE 73 N 0.40 2.70 0.41 0.00 5.36 -0.71 -1.12 117.98 125.02 1x67 s PHE 73 Ca -0.13 -2.22 0.08 0.00 -0.96 0.00 0.00 56.93 53.69 1x67 s PHE 73 Cb -0.17 -2.13 -0.02 0.00 -0.34 0.00 0.00 43.02 40.37 1x67 s PHE 73 CO 0.06 -0.87 0.38 0.00 -1.46 0.00 0.00 175.22 173.33 1x67 s ARG 75 N -4.14 0.12 0.40 0.00 3.52 -0.65 -2.30 118.95 115.91 1x67 s ARG 75 Ca 0.48 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.20 1x67 s ARG 75 Cb -0.04 -1.46 -0.04 0.00 -1.56 0.00 0.00 34.95 31.85 1x67 s ARG 75 CO 0.28 -0.65 0.08 0.14 -0.81 0.00 0.00 175.30 174.35 1x67 s VAL 76 N 2.24 0.92 -0.06 7.11 -7.23 -1.16 -4.94 120.40 117.27 1x67 s VAL 76 Ca 0.04 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1x67 s VAL 76 Cb -0.16 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1x67 s VAL 76 CO -0.10 0.00 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.09 1x67 s LYS 77 N -3.79 2.91 0.83 4.82 -2.85 -1.26 -0.13 119.74 120.26 1x67 s LYS 77 Ca 0.25 -0.47 -0.11 0.00 -1.00 0.00 0.00 55.97 54.64 1x67 s LYS 77 Cb 0.05 -2.74 0.09 0.00 -2.06 0.00 0.00 37.83 33.17 1x67 s LYS 77 CO 0.13 0.68 1.09 -0.51 0.10 0.00 0.00 175.35 176.84 1x67 s ASP 78 N -1.02 4.05 -0.05 0.03 1.11 -0.97 -4.87 116.67 114.95 1x67 s ASP 78 Ca 0.15 1.64 -0.25 0.00 0.18 0.00 0.00 52.55 54.27 1x67 s ASP 78 Cb -0.11 -2.34 -0.22 0.00 1.07 0.00 0.00 42.92 41.32 1x67 s ASP 78 CO 0.04 -2.29 1.07 1.55 1.18 0.00 0.00 175.17 176.72 1x67 h PRO 79 N -1.31 0.14 0.00 8.23 0.13 -1.92 -2.41 132.00 134.86 1x67 h PRO 79 Ca -0.46 -0.13 -0.11 0.00 -0.87 0.00 0.00 66.00 64.42 1x67 h PRO 79 Cb 1.26 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1x67 h PRO 79 CO 0.53 0.84 -0.82 -0.91 -0.23 0.00 0.00 178.00 177.41 1x67 h ASN 80 N -0.50 0.00 -0.68 1.44 2.35 -1.94 -3.38 115.58 112.88 1x67 h ASN 80 Ca -0.02 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1x67 h ASN 80 Cb 0.88 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 1x67 h ASN 80 CO 0.03 1.12 0.43 0.77 -1.65 0.00 0.00 177.43 178.14 1x67 h SER 81 N -1.00 0.79 -0.91 5.81 4.64 -1.97 -3.45 113.55 117.46 1x67 h SER 81 Ca -0.17 -0.03 -0.39 0.00 -0.47 0.00 0.00 61.79 60.73 1x67 h SER 81 Cb 0.90 -0.20 -0.15 0.00 -0.31 0.00 0.00 62.40 62.64 1x67 h SER 81 CO -0.10 0.59 -0.36 0.61 -0.87 0.00 0.00 176.83 176.70 1x67 n GLY 82 N -1.39 1.84 3.76 -0.77 0.00 -0.91 -4.91 105.19 102.81 1x67 n GLY 82 Ca 0.07 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.35 3.70 -0.36 0.99 1.43 -1.26 -4.71 118.68 114.13 1x67 s LEU 83 Ca 0.00 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 1x67 s LEU 83 Cb 0.00 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1x67 s LEU 83 CO 0.00 0.11 1.77 -2.16 0.23 0.00 0.00 176.35 176.29 1x67 s PRO 84 N -2.83 3.30 0.31 1.29 0.04 -1.26 -2.30 135.00 133.54 1x67 s PRO 84 Ca 0.30 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1x67 s PRO 84 Cb -0.11 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 1x67 s PRO 84 CO 0.22 -1.90 0.35 0.15 0.04 0.00 0.00 177.00 175.86 1x67 s LYS 85 N 5.71 3.00 -0.15 4.56 -0.14 0.81 -4.97 119.74 128.56 1x67 s LYS 85 Ca 0.77 -1.08 -0.01 0.00 -1.36 0.00 0.00 55.97 54.28 1x67 s LYS 85 Cb -0.21 -2.67 -0.02 0.00 -1.68 0.00 0.00 37.83 33.25 1x67 s LYS 85 CO 0.32 0.18 -0.10 -0.06 -0.76 0.00 0.00 175.35 174.93 1x67 s PHE 86 N -2.19 2.88 -0.06 3.18 0.08 -1.26 -2.98 117.98 117.64 1x67 s PHE 86 Ca 0.40 -0.59 0.04 0.00 0.12 0.00 0.00 56.93 56.90 1x67 s PHE 86 Cb -0.08 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1x67 s PHE 86 CO 0.28 -0.21 -0.19 0.08 -0.10 0.00 0.00 175.22 175.09 1x67 s VAL 87 N 0.47 2.67 -0.15 -0.44 1.01 -0.97 -0.12 120.40 122.86 1x67 s VAL 87 Ca -0.07 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1x67 s VAL 87 Cb -0.15 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1x67 s VAL 87 CO 0.04 0.58 -0.17 -0.22 0.00 0.00 0.00 175.10 175.33 1x67 s LEU 88 N -0.45 1.87 -0.13 3.92 2.96 -1.12 -2.67 118.68 123.06 1x67 s LEU 88 Ca 0.05 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1x67 s LEU 88 Cb -0.12 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1x67 s LEU 88 CO 0.02 -0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.28 1x67 s ILE 89 N 1.32 3.22 -1.15 6.68 1.01 -0.28 -1.09 121.20 130.91 1x67 s ILE 89 Ca 0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 1x67 s ILE 89 Cb -0.13 -2.36 0.24 0.00 0.01 0.00 0.00 42.46 40.22 1x67 s ILE 89 CO -0.10 0.52 1.32 0.59 0.00 0.00 0.00 174.94 177.27 1x67 n ASN 90 N 3.49 5.53 -4.66 3.58 3.02 0.42 -1.84 115.26 124.79 1x67 n ASN 90 Ca -0.18 -3.08 -0.49 0.00 -0.03 0.00 0.00 54.58 50.81 1x67 n ASN 90 Cb 0.53 -1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.22 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 3.45 2.14 -3.55 3.10 -0.00 -0.83 -3.74 117.44 118.00 1x67 n TRP 91 Ca 0.29 0.28 -0.29 0.00 -0.00 0.00 0.00 57.50 57.78 1x67 n TRP 91 Cb 0.39 -2.53 -0.13 0.00 -0.00 0.00 0.00 31.31 29.04 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 1.89 0.32 0.12 5.87 2.01 -1.13 -2.40 115.64 122.33 1x67 s THR 92 Ca 0.85 -1.51 -0.35 0.00 0.31 0.00 0.00 61.69 60.99 1x67 s THR 92 Cb -0.76 -1.25 -0.15 0.00 0.01 0.00 0.00 72.50 70.35 1x67 s THR 92 CO 0.45 -0.87 1.48 0.61 -0.69 0.00 0.00 174.62 175.61 1x67 n GLY 93 N 4.42 0.85 0.24 4.40 0.00 -1.26 -4.33 105.19 109.51 1x67 n GLY 93 Ca 0.05 0.68 0.01 0.00 0.00 0.00 0.00 46.02 46.76 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 5.39 0.28 -0.03 1.61 -0.00 -1.89 -2.30 114.58 117.65 1x67 h GLU 94 Ca -0.46 -0.07 0.01 0.00 -0.00 0.00 0.00 59.36 58.84 1x67 h GLU 94 Cb 1.29 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 30.00 1x67 h GLU 94 CO 0.84 0.43 0.12 0.78 -0.00 0.00 0.00 179.01 181.19 1x67 h GLY 95 N 0.81 0.00 -4.54 1.06 0.00 -1.88 -3.42 103.07 95.11 1x67 h GLY 95 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.85 1x67 h GLY 95 CO 0.03 0.00 0.70 0.14 0.00 0.00 0.00 176.54 177.40 1x67 s VAL 96 N -4.25 3.41 1.32 4.60 1.01 -0.87 -5.00 120.40 120.62 1x67 s VAL 96 Ca -0.05 1.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 1x67 s VAL 96 Cb 0.12 -3.65 0.32 0.00 0.00 0.00 0.00 36.38 33.17 1x67 s VAL 96 CO 0.41 0.08 0.72 -0.46 0.00 0.00 0.00 175.10 175.85 1x67 n ASN 97 N 3.94 -3.65 0.10 3.32 6.94 -1.26 -4.79 115.26 119.86 1x67 n ASN 97 Ca 0.11 -0.67 -0.22 0.00 -0.02 0.00 0.00 54.58 53.77 1x67 n ASN 97 Cb 0.43 -0.96 -0.15 0.00 -2.36 0.00 0.00 39.78 36.74 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 -3.30 0.66 -0.19 0.53 5.19 -1.95 -2.85 116.42 114.50 1x67 h ASP 98 Ca -0.37 -0.83 0.06 0.00 -0.62 0.00 0.00 57.03 55.27 1x67 h ASP 98 Cb 1.17 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 1x67 h ASP 98 CO 0.24 1.67 0.14 0.58 -3.12 0.00 0.00 179.24 178.75 1x67 h VAL 99 N 0.12 0.87 0.14 -1.35 2.07 -2.00 -2.29 116.25 113.81 1x67 h VAL 99 Ca -0.28 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.94 1x67 h VAL 99 Cb 2.11 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1x67 h VAL 99 CO 0.22 0.00 -1.50 -0.09 0.02 0.00 0.00 177.57 176.22 1x67 h ARG 100 N 0.00 0.30 -0.88 1.57 9.65 -1.93 -3.18 114.38 119.90 1x67 h ARG 100 Ca 0.09 -0.51 0.19 0.00 -1.10 0.00 0.00 59.98 58.66 1x67 h ARG 100 Cb 0.38 0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 29.08 1x67 h ARG 100 CO -0.00 1.24 0.58 0.87 2.80 0.00 0.00 179.97 185.46 1x67 h LYS 101 N -0.17 0.40 0.00 0.20 1.57 -1.18 0.34 116.57 117.72 1x67 h LYS 101 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1x67 h LYS 101 Cb 1.86 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.09 1x67 h LYS 101 CO 0.10 0.26 -0.43 0.78 -0.57 0.00 0.00 179.45 179.59 1x67 h GLY 102 N 0.41 0.00 1.24 3.86 0.00 -1.55 -3.07 103.07 103.95 1x67 h GLY 102 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.64 1x67 h GLY 102 CO -0.17 0.00 -1.17 0.00 0.00 0.00 0.00 176.54 175.21 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -0.50 -3.34 119.26 121.71 1x67 h ALA 103 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 1x67 h ALA 103 Cb 0.98 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1x67 h ALA 103 CO 0.00 0.79 -0.96 0.00 0.00 0.00 0.00 179.25 179.08 1x67 h ALA 105 N 1.40 2.02 -0.11 0.00 0.00 -1.65 -0.15 119.26 120.78 1x67 h ALA 105 Ca -0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x67 h ALA 105 Cb 1.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1x67 h ALA 105 CO 0.06 -0.14 0.07 1.03 0.00 0.00 0.00 179.25 180.28 1x67 h SER 106 N 0.38 0.09 1.11 0.00 0.87 -1.74 -0.52 113.55 113.74 1x67 h SER 106 Ca 0.26 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 1x67 h SER 106 Cb 0.51 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1x67 h SER 106 CO -0.07 0.07 -0.50 0.45 -0.53 0.00 0.00 176.83 176.25 1x67 h HIS 107 N 0.11 0.00 -0.41 2.24 3.86 -1.23 -3.18 115.15 116.54 1x67 h HIS 107 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1x67 h HIS 107 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1x67 h HIS 107 CO -0.00 0.50 0.27 0.28 0.86 0.00 0.00 177.93 179.83 1x67 h VAL 108 N 0.00 1.11 -0.62 2.45 2.07 -1.01 0.33 116.25 120.58 1x67 h VAL 108 Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1x67 h VAL 108 Cb 1.19 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1x67 h VAL 108 CO 0.06 0.11 0.35 -1.28 0.02 0.00 0.00 177.57 176.83 1x67 h SER 109 N 0.56 0.75 0.03 0.57 0.87 -1.57 0.23 113.55 115.00 1x67 h SER 109 Ca 0.15 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 1x67 h SER 109 Cb -0.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1x67 h SER 109 CO -0.03 0.60 -0.63 0.74 -0.53 0.00 0.00 176.83 176.98 1x67 h THR 110 N 0.86 1.42 -0.54 2.23 2.02 -1.49 -3.30 112.91 114.11 1x67 h THR 110 Ca 0.22 -2.33 0.02 0.00 0.77 0.00 0.00 66.41 65.09 1x67 h THR 110 Cb 0.01 2.96 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 1x67 h THR 110 CO -0.04 0.56 0.32 0.24 0.37 0.00 0.00 175.52 176.97 1x67 h MET 111 N -0.83 0.62 -0.76 6.66 2.07 -0.90 -1.67 114.93 120.12 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 1.27 -0.14 -0.09 0.00 -1.87 0.00 0.00 31.60 30.76 1x67 h MET 111 CO -0.03 0.41 0.32 0.00 1.07 0.00 0.00 176.91 178.69 1x67 h ALA 112 N 1.24 1.08 -0.43 6.32 0.00 -0.69 -0.92 119.26 125.86 1x67 h ALA 112 Ca 0.22 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1x67 h ALA 112 Cb 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x67 h ALA 112 CO -0.10 -0.18 -0.25 0.77 0.00 0.00 0.00 179.25 179.49 1x67 h SER 113 N 0.48 0.97 -0.48 0.00 0.02 -1.51 -3.16 113.55 109.87 1x67 h SER 113 Ca 0.42 -0.42 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1x67 h SER 113 Cb 0.61 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 1x67 h SER 113 CO -0.39 1.17 0.04 0.15 -1.14 0.00 0.00 176.83 176.66 1x67 h PHE 114 N 0.76 0.04 -1.74 3.45 3.57 -0.27 -2.67 116.94 120.09 1x67 h PHE 114 Ca 0.09 0.03 -0.78 0.00 3.53 0.00 0.00 57.97 60.85 1x67 h PHE 114 Cb 0.83 0.05 -0.20 0.00 2.79 0.00 0.00 35.95 39.42 1x67 h PHE 114 CO 0.06 -0.07 1.72 1.28 -2.23 0.00 0.00 178.31 179.07 1x67 n LEU 115 N -5.18 7.59 -4.47 0.59 4.77 -0.81 -5.01 117.00 114.48 1x67 n LEU 115 Ca 0.05 -5.11 -0.28 0.00 -0.03 0.00 0.00 56.01 50.64 1x67 n LEU 115 Cb 0.25 -1.28 0.26 0.00 -2.33 0.00 0.00 43.42 40.32 1x67 n LEU 115 CO 0.18 1.99 0.50 -0.54 -1.33 0.00 0.00 177.39 178.20 1x67 s LYS 116 N -2.51 -1.18 0.00 3.23 -0.14 -1.01 -3.78 119.74 114.35 1x67 s LYS 116 Ca 0.45 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.79 1x67 s LYS 116 Cb 0.17 -1.53 0.00 0.00 -1.68 0.00 0.00 37.83 34.79 1x67 s LYS 116 CO -0.09 -3.87 0.00 0.41 -0.76 0.00 0.00 175.35 171.04 1x67 n GLY 117 N 0.80 3.22 3.51 -3.33 0.00 -1.26 -4.98 105.19 103.16 1x67 n GLY 117 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.76 0.22 4.61 0.00 -1.25 -4.28 120.51 119.37 1x67 n ALA 118 Ca 0.00 -0.52 0.08 0.00 0.00 0.00 0.00 53.44 52.99 1x67 n ALA 118 Cb 0.00 -2.78 0.50 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 15.62 0.00 -2.63 0.00 3.86 -0.91 -3.41 115.15 127.68 1x67 h HIS 119 Ca -0.20 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.74 1x67 h HIS 119 Cb 1.29 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.42 1x67 h HIS 119 CO 0.99 0.26 -0.59 0.08 0.86 0.00 0.00 177.93 179.54 1x67 s VAL 120 N -4.03 -0.37 -0.49 2.45 1.01 -1.25 -4.99 120.40 112.73 1x67 s VAL 120 Ca -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1x67 s VAL 120 Cb 0.13 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.99 1x67 s VAL 120 CO 0.66 -0.07 0.53 -0.89 0.00 0.00 0.00 175.10 175.33 1x67 s THR 121 N 2.37 5.02 -0.13 3.92 2.01 -1.26 -2.80 115.64 124.77 1x67 s THR 121 Ca 0.05 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 1x67 s THR 121 Cb -0.14 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1x67 s THR 121 CO -0.11 -0.71 0.12 -0.63 -0.69 0.00 0.00 174.62 172.61 1x67 s ILE 122 N 2.23 5.35 -0.88 1.82 1.01 -0.25 -5.00 121.20 125.49 1x67 s ILE 122 Ca 0.11 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 1x67 s ILE 122 Cb -0.21 -3.35 0.22 0.00 0.01 0.00 0.00 42.46 39.13 1x67 s ILE 122 CO 0.10 0.58 0.76 0.20 0.00 0.00 0.00 174.94 176.58 1x67 s ASN 123 N -0.74 5.94 0.81 3.58 -0.87 -1.26 -0.44 114.94 121.95 1x67 s ASN 123 Ca 0.13 -3.68 -0.06 0.00 -1.57 0.00 0.00 52.86 47.69 1x67 s ASN 123 Cb -0.12 -1.90 0.13 0.00 -0.02 0.00 0.00 41.25 39.34 1x67 s ASN 123 CO 0.03 -0.19 0.82 0.00 -2.57 0.00 0.00 177.10 175.18 1x67 n ALA 124 N 2.39 -0.43 0.00 0.60 0.00 -1.25 -4.93 120.51 116.89 1x67 n ALA 124 Ca 0.21 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1x67 n ALA 124 Cb 0.37 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.63 0.00 -3.11 0.00 1.74 -1.26 -2.82 116.66 108.59 1x67 n ARG 125 Ca 0.12 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.02 1x67 n ARG 125 Cb 0.41 -0.26 0.01 0.00 -1.02 0.00 0.00 32.46 31.60 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 -1.26 4.47 0.20 7.54 0.00 -1.26 -4.23 121.76 127.22 1x67 s ALA 126 Ca 0.00 -1.63 0.21 0.00 0.00 0.00 0.00 51.96 50.55 1x67 s ALA 126 Cb 0.00 -1.64 0.86 0.00 0.00 0.00 0.00 23.12 22.34 1x67 s ALA 126 CO 0.00 -0.23 1.81 0.93 0.00 0.00 0.00 175.76 178.27 1x67 h GLU 127 N 0.69 0.00 0.00 0.00 5.08 -1.96 -2.69 114.58 115.70 1x67 h GLU 127 Ca -0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 1x67 h GLU 127 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1x67 h GLU 127 CO 0.47 0.29 -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 -2.92 114.58 116.22 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1x67 h GLU 128 Cb 0.76 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.88 1x67 h GLU 128 CO 0.04 0.26 0.27 -0.25 -1.00 0.00 0.00 179.01 178.33 1x67 n ASP 129 N -3.33 4.15 -0.96 1.42 8.00 -1.01 -3.98 116.55 120.84 1x67 n ASP 129 Ca 0.01 -3.01 -0.01 0.00 0.71 0.00 0.00 54.79 52.49 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 -1.83 2.53 0.24 -1.10 -4.64 118.33 113.35 1x67 n VAL 130 Ca 0.35 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.34 62.05 1x67 n VAL 130 Cb 1.22 0.55 0.04 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 3.07 0.17 7.34 8.01 -1.23 -4.85 118.70 131.21 1x67 s GLU 131 Ca 0.10 0.62 -0.23 0.00 0.01 0.00 0.00 54.97 55.47 1x67 s GLU 131 Cb 0.11 -2.03 0.06 0.00 -4.31 0.00 0.00 34.13 27.97 1x67 s GLU 131 CO -0.05 -0.92 1.60 -1.35 0.01 0.00 0.00 175.26 174.55 1x67 h PRO 132 N -0.57 -0.24 -0.46 0.39 0.11 -1.94 0.16 132.00 129.45 1x67 h PRO 132 Ca -0.45 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1x67 h PRO 132 Cb 1.23 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1x67 h PRO 132 CO 0.62 -0.16 -0.05 1.05 -0.21 0.00 0.00 178.00 179.26 1x67 h GLU 133 N -0.25 0.84 -0.16 1.05 4.11 -1.97 0.22 114.58 118.42 1x67 h GLU 133 Ca 0.18 -0.29 0.05 0.00 0.07 0.00 0.00 59.36 59.36 1x67 h GLU 133 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1x67 h GLU 133 CO -0.55 0.92 0.17 0.00 0.07 0.00 0.00 179.01 179.61 1x67 n ILE 135 N -3.92 1.61 0.20 0.00 5.41 -0.04 -4.28 119.36 118.34 1x67 n ILE 135 Ca 0.01 -0.47 0.05 0.00 1.00 0.00 0.00 62.75 63.34 1x67 n ILE 135 Cb 0.29 -1.72 0.51 0.00 -0.71 0.00 0.00 39.64 38.01 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 -0.32 0.07 0.00 0.38 2.86 -0.17 -1.17 114.93 116.57 1x67 h MET 136 Ca -0.51 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.10 1x67 h MET 136 Cb 1.79 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.44 1x67 h MET 136 CO -0.11 0.18 -0.11 0.93 1.06 0.00 0.00 176.91 178.86 1x67 h GLU 137 N 0.07 0.00 0.00 1.72 4.39 -0.79 -2.38 114.58 117.59 1x67 h GLU 137 Ca 0.01 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.48 1x67 h GLU 137 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1x67 h GLU 137 CO 0.02 0.11 -1.87 1.63 -1.16 0.00 0.00 179.01 177.74 1x67 n LYS 138 N -3.98 0.65 -0.23 2.33 5.02 -0.62 -4.17 118.16 117.15 1x67 n LYS 138 Ca -0.02 0.10 -0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1x67 n LYS 138 Cb 0.20 -1.67 0.14 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.56 -0.18 2.07 -0.76 -2.60 116.25 115.47 1x67 h VAL 139 Ca -0.29 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1x67 h VAL 139 Cb 1.80 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1x67 h VAL 139 CO 0.04 0.30 0.08 0.00 0.02 0.00 0.00 177.57 178.01 1x67 h ALA 140 N 1.29 1.09 -1.41 1.67 0.00 -1.65 -3.39 119.26 116.85 1x67 h ALA 140 Ca 0.24 -0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 1x67 h ALA 140 Cb 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1x67 h ALA 140 CO -0.02 0.59 1.25 0.45 0.00 0.00 0.00 179.25 181.52 1x67 s SER 141 N -6.58 5.51 0.56 0.00 0.15 -0.98 -4.95 113.70 107.41 1x67 s SER 141 Ca -0.10 0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.67 1x67 s SER 141 Cb 0.15 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1x67 s SER 141 CO 0.82 -2.25 0.51 -0.83 1.20 0.00 0.00 173.24 172.69 1x67 s GLY 142 N 6.95 2.21 -0.62 9.45 0.00 -1.26 -4.98 107.32 119.07 1x67 s GLY 142 Ca 0.59 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.55 1x67 s GLY 142 CO 0.18 -1.88 2.46 -1.05 0.00 0.00 0.00 173.10 172.80 1x67 n PRO 143 N -1.91 0.73 0.06 2.90 -0.02 -1.26 -4.80 135.00 130.70 1x67 n PRO 143 Ca 0.03 0.07 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 1x67 n PRO 143 Cb 0.64 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 1x67 n PRO 143 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1x67 h SER 144 N 15.54 0.56 -0.57 2.55 0.02 -2.01 -3.35 113.55 126.30 1x67 h SER 144 Ca -0.19 -0.92 -0.32 0.00 -0.84 0.00 0.00 61.79 59.52 1x67 h SER 144 Cb 1.29 -0.18 -0.19 0.00 0.14 0.00 0.00 62.40 63.46 1x67 h SER 144 CO 1.20 1.75 0.10 -1.20 -1.14 0.00 0.00 176.83 177.54 1x67 n SER 145 N -3.67 3.29 -0.49 3.07 7.64 -1.26 -5.33 113.62 116.87 1x67 n SER 145 Ca -0.25 -3.76 0.06 0.00 1.01 0.00 0.00 58.87 55.94 1x67 n SER 145 Cb 1.04 -0.69 0.05 0.00 -1.01 0.00 0.00 64.21 63.60 1x67 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64