#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 s SER 2 N 0.00 6.13 -0.18 1.61 0.01 -1.26 -5.05 113.70 114.97 1x67 s SER 2 Ca 0.00 -0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.14 1x67 s SER 2 Cb 0.00 -2.17 0.07 0.00 0.21 0.00 0.00 66.02 64.14 1x67 s SER 2 CO 0.00 -0.18 0.40 -0.55 0.41 0.00 0.00 173.24 173.32 1x67 s SER 3 N 1.72 -0.33 0.00 2.44 0.15 -1.26 -5.13 113.70 111.28 1x67 s SER 3 Ca 0.10 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1x67 s SER 3 Cb -0.16 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1x67 s SER 3 CO 0.11 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1x67 n GLY 4 N 4.83 -0.48 2.96 9.45 0.00 -1.26 -5.00 105.19 115.69 1x67 n GLY 4 Ca -0.16 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.74 1.50 0.49 1.61 1.04 -1.26 -5.15 113.70 109.19 1x67 s SER 5 Ca 0.00 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1x67 s SER 5 Cb 0.00 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 1x67 s SER 5 CO 0.00 -0.01 0.09 -0.55 0.98 0.00 0.00 173.24 173.75 1x67 s SER 6 N 0.86 4.21 -0.04 7.02 0.15 -1.26 -5.15 113.70 119.48 1x67 s SER 6 Ca -0.12 -1.48 0.01 0.00 0.70 0.00 0.00 55.95 55.07 1x67 s SER 6 Cb -0.15 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1x67 s SER 6 CO 0.01 -0.80 -0.05 -0.83 1.20 0.00 0.00 173.24 172.78 1x67 s GLY 7 N -3.92 0.46 -0.16 9.45 0.00 -1.26 -5.13 107.32 106.76 1x67 s GLY 7 Ca 0.19 -0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.64 1x67 s GLY 7 CO 0.11 0.41 0.59 1.06 0.00 0.00 0.00 173.10 175.27 1x67 s MET 8 N 0.88 4.28 -0.26 2.90 -1.94 -1.26 -5.03 119.30 118.86 1x67 s MET 8 Ca -0.12 0.60 -0.26 0.00 -1.71 0.00 0.00 55.69 54.20 1x67 s MET 8 Cb -0.14 -3.52 0.14 0.00 2.01 0.00 0.00 34.83 33.32 1x67 s MET 8 CO 0.00 -0.09 1.15 0.00 -0.01 0.00 0.00 175.02 176.08 1x67 s ALA 9 N 1.40 -2.04 0.59 3.03 0.00 -1.26 -4.57 121.76 118.91 1x67 s ALA 9 Ca 0.29 1.77 -0.18 0.00 0.00 0.00 0.00 51.96 53.84 1x67 s ALA 9 Cb -0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1x67 s ALA 9 CO 0.12 -0.22 0.90 0.00 0.00 0.00 0.00 175.76 176.56 1x67 n ALA 10 N 1.66 -0.03 -0.04 0.00 0.00 -1.26 -4.90 120.51 115.94 1x67 n ALA 10 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1x67 n ALA 10 Cb 0.57 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.56 1.15 -2.04 0.00 5.15 -1.26 -4.96 115.26 112.73 1x67 n ASN 11 Ca 0.13 0.19 -0.19 0.00 -0.60 0.00 0.00 54.58 54.12 1x67 n ASN 11 Cb 0.47 -0.57 -0.04 0.00 -0.53 0.00 0.00 39.78 39.11 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 -3.64 -1.57 -0.11 1.20 4.32 -1.26 -4.85 117.00 111.08 1x67 n LEU 12 Ca -0.07 0.22 -0.20 0.00 -0.02 0.00 0.00 56.01 55.93 1x67 n LEU 12 Cb 0.27 -2.68 -0.08 0.00 -1.62 0.00 0.00 43.42 39.31 1x67 n LEU 12 CO 0.11 -0.52 -0.90 -1.20 -1.22 0.00 0.00 177.39 173.66 1x67 n SER 13 N -1.60 1.91 -0.13 -1.43 7.64 -1.26 -3.56 113.62 115.17 1x67 n SER 13 Ca -0.21 0.40 -0.04 0.00 1.01 0.00 0.00 58.87 60.04 1x67 n SER 13 Cb 0.64 -0.85 0.04 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.00 0.15 -0.99 1.43 3.08 -1.91 -1.52 114.38 113.62 1x67 h ARG 14 Ca -0.38 -0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.00 1x67 h ARG 14 Cb 1.26 -0.03 -0.29 0.00 0.08 0.00 0.00 29.97 30.99 1x67 h ARG 14 CO -0.23 0.10 0.82 0.09 -1.07 0.00 0.00 179.97 179.67 1x67 n ASN 15 N -5.16 7.18 0.06 7.04 3.02 -1.26 -4.75 115.26 121.38 1x67 n ASN 15 Ca 0.04 -3.77 -0.05 0.00 -0.03 0.00 0.00 54.58 50.77 1x67 n ASN 15 Cb 0.22 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 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 1.88 -1.00 0.11 7.41 0.00 -1.32 0.09 103.07 110.24 1x67 h GLY 16 Ca 0.61 0.45 0.11 0.00 0.00 0.00 0.00 47.33 48.50 1x67 h GLY 16 CO 1.52 -0.35 0.06 -2.55 0.00 0.00 0.00 176.54 175.22 1x67 h PRO 17 N -0.24 0.17 0.50 4.80 0.11 -1.85 0.72 132.00 136.21 1x67 h PRO 17 Ca -0.01 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1x67 h PRO 17 Cb 0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1x67 h PRO 17 CO -0.04 0.11 -0.45 0.00 -0.21 0.00 0.00 178.00 177.41 1x67 h ALA 18 N 1.49 -1.14 -0.04 -0.75 0.00 -1.89 0.24 119.26 117.17 1x67 h ALA 18 Ca 0.30 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1x67 h ALA 18 Cb 0.46 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1x67 h ALA 18 CO -0.44 -1.15 -0.24 -0.07 0.00 0.00 0.00 179.25 177.35 1x67 h LEU 19 N -0.94 -0.71 -0.86 0.00 3.38 -0.68 -1.75 115.31 113.76 1x67 h LEU 19 Ca -0.06 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1x67 h LEU 19 Cb 0.80 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1x67 h LEU 19 CO -0.03 -0.30 0.47 -0.61 0.09 0.00 0.00 178.44 178.06 1x67 h GLN 20 N -0.35 0.68 -0.00 1.13 4.15 -0.76 -1.17 115.11 118.80 1x67 h GLN 20 Ca 0.07 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1x67 h GLN 20 Cb 0.45 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 1x67 h GLN 20 CO -0.24 0.45 -0.23 1.49 -1.93 0.00 0.00 178.83 178.37 1x67 h GLU 21 N 0.70 -0.35 0.00 1.69 4.81 0.35 0.28 114.58 122.07 1x67 h GLU 21 Ca 0.45 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1x67 h GLU 21 Cb 0.57 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1x67 h GLU 21 CO -0.32 -0.23 -0.09 0.00 -0.73 0.00 0.00 179.01 177.64 1x67 h ALA 22 N 0.49 1.38 0.00 2.92 0.00 -0.86 -1.46 119.26 121.74 1x67 h ALA 22 Ca 0.06 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1x67 h ALA 22 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1x67 h ALA 22 CO -0.21 0.11 -0.72 -0.92 0.00 0.00 0.00 179.25 177.51 1x67 h TYR 23 N 0.00 0.00 0.09 0.00 3.20 0.06 -2.98 116.97 117.34 1x67 h TYR 23 Ca -0.00 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 1x67 h TYR 23 Cb 0.23 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1x67 h TYR 23 CO 0.00 0.63 -1.17 0.28 -1.64 0.00 0.00 178.16 176.26 1x67 h VAL 24 N 0.00 1.56 -0.05 1.81 2.07 0.49 -3.19 116.25 118.95 1x67 h VAL 24 Ca -0.03 -3.16 -0.03 0.00 0.82 0.00 0.00 66.70 64.31 1x67 h VAL 24 Cb 1.50 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 1x67 h VAL 24 CO 0.08 0.92 -0.09 0.03 0.02 0.00 0.00 177.57 178.52 1x67 h ARG 25 N 0.06 0.14 -0.33 1.57 3.08 -1.43 0.16 114.38 117.63 1x67 h ARG 25 Ca -0.10 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 59.95 1x67 h ARG 25 Cb 1.91 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.96 1x67 h ARG 25 CO 0.18 0.67 0.24 0.28 -1.07 0.00 0.00 179.97 180.27 1x67 h VAL 26 N -0.37 0.85 0.00 2.04 2.07 -1.65 -0.58 116.25 118.61 1x67 h VAL 26 Ca 0.00 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1x67 h VAL 26 Cb 0.67 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1x67 h VAL 26 CO 0.02 0.00 -1.38 1.33 0.02 0.00 0.00 177.57 177.57 1x67 n VAL 27 N -4.45 0.71 -3.48 2.57 0.24 -1.18 -4.67 118.33 108.07 1x67 n VAL 27 Ca 0.05 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1x67 n VAL 27 Cb 0.39 -0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 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 -3.22 5.26 0.25 3.34 2.01 0.57 -4.93 115.64 118.91 1x67 s THR 28 Ca -0.03 -0.45 0.37 0.00 0.31 0.00 0.00 61.69 61.88 1x67 s THR 28 Cb 0.10 -3.85 0.40 0.00 0.01 0.00 0.00 72.50 69.16 1x67 s THR 28 CO 0.82 -0.19 2.09 -0.33 -0.69 0.00 0.00 174.62 176.32 1x67 h GLU 29 N 8.57 0.00 -0.21 4.92 3.07 -1.87 -3.12 114.58 125.94 1x67 h GLU 29 Ca -0.29 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.63 1x67 h GLU 29 Cb 1.13 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.98 1x67 h GLU 29 CO 0.69 0.00 -0.26 -0.22 -1.40 0.00 0.00 179.01 177.82 1x67 h LYS 30 N 0.00 -0.28 -7.04 2.33 1.63 -1.92 -3.42 116.57 107.87 1x67 h LYS 30 Ca 0.00 0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.33 1x67 h LYS 30 Cb 0.35 0.06 0.05 0.00 -0.60 0.00 0.00 32.23 32.09 1x67 h LYS 30 CO 0.00 -0.19 0.16 -1.12 -3.45 0.00 0.00 179.45 174.85 1x67 s SER 31 N -5.00 5.94 -0.76 4.20 0.01 -1.18 -5.01 113.70 111.90 1x67 s SER 31 Ca -0.15 0.85 -0.25 0.00 1.31 0.00 0.00 55.95 57.71 1x67 s SER 31 Cb 0.12 -2.00 0.05 0.00 0.21 0.00 0.00 66.02 64.40 1x67 s SER 31 CO 0.67 -0.82 1.21 -2.16 0.41 0.00 0.00 173.24 172.55 1x67 s PRO 32 N -4.88 3.23 -0.27 12.44 0.04 -1.26 -4.95 135.00 139.34 1x67 s PRO 32 Ca 0.51 -0.54 -0.23 0.00 0.04 0.00 0.00 61.00 60.78 1x67 s PRO 32 Cb -0.10 -4.34 0.08 0.00 0.04 0.00 0.00 34.50 30.17 1x67 s PRO 32 CO 0.45 -2.06 0.76 0.99 0.04 0.00 0.00 177.00 177.19 1x67 s THR 33 N 5.13 0.00 0.00 1.26 2.01 -1.26 -4.75 115.64 118.03 1x67 s THR 33 Ca 0.33 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1x67 s THR 33 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1x67 s THR 33 CO 0.10 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.36 1x67 n ASP 34 N 2.89 3.61 -3.61 3.53 -0.08 0.64 -4.65 116.55 118.89 1x67 n ASP 34 Ca -0.15 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.90 1x67 n ASP 34 Cb 0.56 0.06 -0.07 0.00 2.34 0.00 0.00 41.12 44.01 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 -2.30 -0.14 -3.51 -0.67 4.27 -1.11 -1.17 117.44 112.81 1x67 n TRP 35 Ca 0.00 -2.59 0.00 0.00 -3.89 0.00 0.00 57.50 51.02 1x67 n TRP 35 Cb 0.44 0.08 -0.04 0.00 -1.36 0.00 0.00 31.31 30.43 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 -3.15 -2.42 -0.10 -1.67 0.00 -0.89 -3.95 121.76 109.59 1x67 s ALA 36 Ca 0.26 2.18 -0.06 0.00 0.00 0.00 0.00 51.96 54.34 1x67 s ALA 36 Cb 0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1x67 s ALA 36 CO 0.18 -0.94 0.13 -1.17 0.00 0.00 0.00 175.76 173.95 1x67 s LEU 37 N 2.64 4.27 -0.12 0.00 2.96 0.31 -1.70 118.68 127.04 1x67 s LEU 37 Ca -0.04 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1x67 s LEU 37 Cb -0.09 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.54 1x67 s LEU 37 CO -0.18 0.38 0.03 -0.36 -1.32 0.00 0.00 176.35 174.90 1x67 s PHE 38 N -1.05 0.62 0.39 5.38 0.08 -0.78 -0.12 117.98 122.50 1x67 s PHE 38 Ca 0.16 -0.33 0.08 0.00 0.12 0.00 0.00 56.93 56.96 1x67 s PHE 38 Cb -0.12 -0.81 -0.07 0.00 -0.57 0.00 0.00 43.02 41.45 1x67 s PHE 38 CO 0.06 -0.42 0.01 -0.08 -0.10 0.00 0.00 175.22 174.68 1x67 s THR 39 N 1.99 2.16 1.05 0.64 -1.32 -0.72 -1.96 115.64 117.48 1x67 s THR 39 Ca 0.03 -2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 58.37 1x67 s THR 39 Cb -0.14 -2.89 0.22 0.00 -1.51 0.00 0.00 72.50 68.17 1x67 s THR 39 CO -0.06 -0.07 1.07 -0.31 -2.21 0.00 0.00 174.62 173.04 1x67 s TYR 40 N -2.65 1.83 -0.12 9.09 1.51 -1.26 -0.30 117.35 125.44 1x67 s TYR 40 Ca 0.35 1.09 -0.07 0.00 -1.01 0.00 0.00 57.07 57.43 1x67 s TYR 40 Cb 0.06 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 1x67 s TYR 40 CO 0.18 -3.24 0.02 1.49 -1.11 0.00 0.00 175.55 172.90 1x67 h GLU 41 N -2.15 0.00 0.00 -0.62 4.22 -0.75 -3.43 114.58 111.85 1x67 h GLU 41 Ca -0.57 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.87 1x67 h GLU 41 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1x67 h GLU 41 CO 0.54 0.14 0.00 0.41 -2.18 0.00 0.00 179.01 177.93 1x67 n GLY 42 N 1.70 2.43 2.38 1.92 0.00 -1.26 -5.01 105.19 107.34 1x67 n GLY 42 Ca -0.05 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 7.39 -3.82 1.61 4.05 -1.26 -4.95 115.26 118.28 1x67 n ASN 43 Ca 0.00 -3.79 -0.07 0.00 0.45 0.00 0.00 54.58 51.17 1x67 n ASN 43 Cb 0.00 -0.92 -0.02 0.00 1.23 0.00 0.00 39.78 40.07 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1x67 s SER 44 N -1.92 -0.24 -0.44 1.20 1.04 -1.26 -5.11 113.70 106.96 1x67 s SER 44 Ca 0.62 -0.60 -0.28 0.00 0.48 0.00 0.00 55.95 56.16 1x67 s SER 44 Cb 0.49 0.70 0.00 0.00 0.10 0.00 0.00 66.02 67.32 1x67 s SER 44 CO -0.06 -1.31 1.52 0.20 0.98 0.00 0.00 173.24 174.58 1x67 s ASN 45 N -2.93 6.12 -0.35 7.02 0.01 -1.26 -4.48 114.94 119.07 1x67 s ASN 45 Ca 0.11 0.77 -0.06 0.00 -0.71 0.00 0.00 52.86 52.97 1x67 s ASN 45 Cb -0.05 -2.54 0.20 0.00 0.41 0.00 0.00 41.25 39.27 1x67 s ASN 45 CO 0.07 -1.62 1.03 -0.62 -1.51 0.00 0.00 177.10 174.45 1x67 s ASP 46 N 4.78 -0.43 0.18 -1.22 2.15 -1.26 -4.53 116.67 116.34 1x67 s ASP 46 Ca 0.64 -0.39 -0.30 0.00 0.43 0.00 0.00 52.55 52.93 1x67 s ASP 46 Cb -0.15 0.56 -0.08 0.00 -0.30 0.00 0.00 42.92 42.96 1x67 s ASP 46 CO 0.30 -0.03 1.06 -0.63 -0.17 0.00 0.00 175.17 175.70 1x67 s ILE 47 N 1.38 3.97 0.10 4.11 -1.09 -1.26 -0.13 121.20 128.28 1x67 s ILE 47 Ca 0.20 1.74 0.02 0.00 -2.23 0.00 0.00 60.65 60.38 1x67 s ILE 47 Cb 0.08 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1x67 s ILE 47 CO -0.12 0.32 0.09 -2.11 -1.23 0.00 0.00 174.94 171.89 1x67 n ARG 48 N 2.25 0.13 -2.45 2.79 1.85 0.59 -4.27 116.66 117.54 1x67 n ARG 48 Ca 0.02 -0.95 -0.39 0.00 -1.00 0.00 0.00 57.85 55.53 1x67 n ARG 48 Cb 0.47 0.79 -0.04 0.00 -1.05 0.00 0.00 32.46 32.63 1x67 n ARG 48 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1x67 s VAL 49 N -2.41 3.45 -0.04 8.89 1.01 -1.26 -1.76 120.40 128.28 1x67 s VAL 49 Ca 0.11 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.47 1x67 s VAL 49 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1x67 s VAL 49 CO 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 175.10 175.41 1x67 n ALA 50 N 0.82 1.91 0.00 5.51 0.00 0.83 -4.64 120.51 124.94 1x67 n ALA 50 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1x67 n ALA 50 Cb 0.46 0.33 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 3.14 1.65 2.95 0.00 0.00 -1.18 -4.96 105.19 106.79 1x67 n GLY 51 Ca -0.07 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.91 0.23 0.32 2.61 -4.23 -1.26 -0.53 115.64 110.87 1x67 s THR 52 Ca 0.00 -0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1x67 s THR 52 Cb 0.00 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.59 1x67 s THR 52 CO 0.00 -0.13 0.49 -0.83 -0.54 0.00 0.00 174.62 173.61 1x67 s GLY 53 N -0.60 1.22 -0.10 3.99 0.00 -1.25 -5.04 107.32 105.53 1x67 s GLY 53 Ca -0.04 -1.34 0.15 0.00 0.00 0.00 0.00 44.72 43.48 1x67 s GLY 53 CO -0.00 -0.88 1.15 1.18 0.00 0.00 0.00 173.10 174.55 1x67 n GLU 54 N -0.52 0.82 0.01 2.90 4.71 -1.26 -0.26 120.64 127.04 1x67 n GLU 54 Ca -0.00 -2.40 0.01 0.00 -0.01 0.00 0.00 57.16 54.76 1x67 n GLU 54 Cb 0.62 -0.96 -0.10 0.00 -1.01 0.00 0.00 31.44 29.98 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 -0.56 -1.15 0.00 0.62 0.00 -1.26 -4.77 105.19 98.07 1x67 n GLY 55 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.41 -0.16 0.22 -0.02 0.00 -1.26 -4.62 105.19 100.76 1x67 n GLY 56 Ca -0.12 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.73 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 0.54 -2.33 0.99 4.07 -1.98 0.61 115.31 117.21 1x67 h LEU 57 Ca 0.00 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.72 1x67 h LEU 57 Cb 0.00 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 1x67 h LEU 57 CO 0.00 0.91 0.04 -0.33 -1.08 0.00 0.00 178.44 177.98 1x67 h GLU 58 N 0.41 0.00 0.00 1.13 5.08 -1.96 -1.22 114.58 118.01 1x67 h GLU 58 Ca 0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 1x67 h GLU 58 Cb 0.94 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1x67 h GLU 58 CO 0.08 0.00 -2.15 -1.91 -1.00 0.00 0.00 179.01 174.03 1x67 n GLU 59 N -4.00 0.80 0.10 2.33 4.07 -1.06 -4.14 120.64 118.74 1x67 n GLU 59 Ca -0.02 -0.08 -0.13 0.00 -0.06 0.00 0.00 57.16 56.87 1x67 n GLU 59 Cb 0.13 -1.48 -0.08 0.00 -0.06 0.00 0.00 31.44 29.94 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 -0.25 -0.10 5.31 4.05 -0.19 -3.06 114.93 120.69 1x67 h MET 60 Ca -0.31 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1x67 h MET 60 Cb 1.68 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.53 1x67 h MET 60 CO 0.02 0.09 0.07 -0.39 0.23 0.00 0.00 176.91 176.92 1x67 h VAL 61 N -0.61 1.02 -0.24 -5.77 -1.51 -1.48 -1.22 116.25 106.44 1x67 h VAL 61 Ca -0.03 -0.04 0.07 0.00 -1.23 0.00 0.00 66.70 65.47 1x67 h VAL 61 Cb 0.45 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1x67 h VAL 61 CO 0.04 0.02 0.25 -0.33 -1.23 0.00 0.00 177.57 176.33 1x67 h GLU 62 N 0.13 0.00 0.03 5.19 4.39 -1.69 -0.01 114.58 122.62 1x67 h GLU 62 Ca 0.04 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.46 1x67 h GLU 62 Cb -0.01 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1x67 h GLU 62 CO -0.01 0.00 -1.52 0.93 -1.16 0.00 0.00 179.01 177.25 1x67 h GLU 63 N 0.00 0.06 -6.20 2.33 5.08 -1.28 -3.46 114.58 111.12 1x67 h GLU 63 Ca 0.11 -0.11 -0.67 0.00 -1.00 0.00 0.00 59.36 57.70 1x67 h GLU 63 Cb 0.61 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1x67 h GLU 63 CO -0.00 0.78 1.05 1.28 -1.00 0.00 0.00 179.01 181.12 1x67 n LEU 64 N -3.22 2.94 -4.52 1.33 4.77 -0.02 -4.93 117.00 113.35 1x67 n LEU 64 Ca -0.14 0.97 -0.38 0.00 -0.03 0.00 0.00 56.01 56.43 1x67 n LEU 64 Cb 1.02 -1.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.73 1x67 n LEU 64 CO 0.46 -0.25 -0.21 0.21 -1.33 0.00 0.00 177.39 176.27 1x67 s ASN 65 N 4.16 5.67 -0.71 -1.43 3.84 -1.26 -5.03 114.94 120.19 1x67 s ASN 65 Ca 0.96 -0.18 -0.26 0.00 0.21 0.00 0.00 52.86 53.60 1x67 s ASN 65 Cb -0.85 -2.04 -0.03 0.00 -0.55 0.00 0.00 41.25 37.78 1x67 s ASN 65 CO 0.57 -0.08 1.86 -0.94 -2.79 0.00 0.00 177.10 175.72 1x67 s SER 66 N 1.69 5.28 0.00 -4.21 1.04 -1.26 -2.84 113.70 113.40 1x67 s SER 66 Ca 0.06 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.46 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 0.08 -2.46 0.00 0.61 0.98 0.00 0.00 173.24 172.45 1x67 n GLY 67 N 6.07 0.29 3.07 7.32 0.00 -1.26 -4.61 105.19 116.06 1x67 n GLY 67 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 1.25 0.10 1.61 1.02 -1.13 -4.10 119.74 118.49 1x67 s LYS 68 Ca 0.00 -0.45 -0.31 0.00 0.02 0.00 0.00 55.97 55.24 1x67 s LYS 68 Cb 0.00 -1.15 -0.07 0.00 -0.52 0.00 0.00 37.83 36.09 1x67 s LYS 68 CO 0.00 0.20 1.36 0.08 -0.92 0.00 0.00 175.35 176.07 1x67 s VAL 69 N 0.02 3.44 0.26 3.17 1.01 -1.26 -4.02 120.40 123.02 1x67 s VAL 69 Ca -0.01 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1x67 s VAL 69 Cb -0.09 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1x67 s VAL 69 CO 0.01 0.07 0.32 -0.04 0.00 0.00 0.00 175.10 175.46 1x67 s MET 70 N 1.21 1.54 -0.06 2.72 1.00 -0.99 -4.46 119.30 120.26 1x67 s MET 70 Ca 0.64 -1.62 0.03 0.00 0.00 0.00 0.00 55.69 54.74 1x67 s MET 70 Cb -0.35 0.37 0.01 0.00 0.00 0.00 0.00 34.83 34.85 1x67 s MET 70 CO 0.30 -0.59 -0.15 0.71 0.00 0.00 0.00 175.02 175.29 1x67 s TYR 71 N -3.76 1.64 -0.15 -0.03 1.51 -0.83 -1.83 117.35 113.91 1x67 s TYR 71 Ca 0.33 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1x67 s TYR 71 Cb 0.03 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1x67 s TYR 71 CO 0.15 -0.25 -0.09 0.00 -1.11 0.00 0.00 175.55 174.26 1x67 s ALA 72 N 0.39 2.77 -0.41 3.71 0.00 -0.98 -1.87 121.76 125.39 1x67 s ALA 72 Ca -0.11 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1x67 s ALA 72 Cb -0.14 -1.38 0.12 0.00 0.00 0.00 0.00 23.12 21.72 1x67 s ALA 72 CO 0.04 0.17 0.17 0.12 0.00 0.00 0.00 175.76 176.26 1x67 s PHE 73 N 0.46 2.56 0.35 0.00 5.36 -0.69 -2.43 117.98 123.58 1x67 s PHE 73 Ca -0.07 -2.55 0.06 0.00 -0.96 0.00 0.00 56.93 53.41 1x67 s PHE 73 Cb -0.15 -2.27 -0.01 0.00 -0.34 0.00 0.00 43.02 40.25 1x67 s PHE 73 CO 0.04 -0.83 0.49 0.00 -1.46 0.00 0.00 175.22 173.46 1x67 s ARG 75 N -4.22 0.65 0.13 0.00 3.52 -0.32 -3.01 118.95 115.71 1x67 s ARG 75 Ca 0.46 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.75 1x67 s ARG 75 Cb -0.10 -1.94 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 1x67 s ARG 75 CO 0.32 -0.59 -0.08 0.14 -0.81 0.00 0.00 175.30 174.28 1x67 s VAL 76 N 1.88 0.98 -0.11 7.11 -7.23 -1.13 -4.96 120.40 116.94 1x67 s VAL 76 Ca 0.00 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 1x67 s VAL 76 Cb -0.16 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 1x67 s VAL 76 CO -0.08 -0.78 0.30 -1.59 -0.31 0.00 0.00 175.10 172.64 1x67 s LYS 77 N -3.79 4.00 1.00 4.82 -2.85 -1.26 -0.49 119.74 121.18 1x67 s LYS 77 Ca 0.15 0.14 -0.14 0.00 -1.00 0.00 0.00 55.97 55.13 1x67 s LYS 77 Cb 0.04 -3.32 0.07 0.00 -2.06 0.00 0.00 37.83 32.55 1x67 s LYS 77 CO -0.01 0.47 0.37 -0.25 0.10 0.00 0.00 175.35 176.02 1x67 n ASP 78 N 2.78 -2.02 -0.03 0.03 9.92 -0.18 -4.86 116.55 122.19 1x67 n ASP 78 Ca -0.14 0.21 -0.14 0.00 -0.53 0.00 0.00 54.79 54.19 1x67 n ASP 78 Cb 0.53 -1.16 -0.11 0.00 -0.64 0.00 0.00 41.12 39.73 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 -1.73 0.15 0.00 -0.24 0.13 -1.92 -3.20 132.00 125.18 1x67 h PRO 79 Ca -0.46 -0.13 -0.45 0.00 -0.87 0.00 0.00 66.00 64.08 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 0.36 0.83 -2.53 0.09 -0.23 0.00 0.00 178.00 176.53 1x67 n ASN 80 N -4.58 1.95 -0.24 1.44 3.02 -1.26 -4.44 115.26 111.16 1x67 n ASN 80 Ca -0.09 0.23 0.18 0.00 -0.03 0.00 0.00 54.58 54.87 1x67 n ASN 80 Cb 0.44 -0.72 0.50 0.00 -0.61 0.00 0.00 39.78 39.39 1x67 n ASN 80 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x67 h SER 81 N -0.77 0.42 -1.10 6.41 0.02 -1.97 -3.45 113.55 113.12 1x67 h SER 81 Ca -0.67 0.04 -0.35 0.00 -0.84 0.00 0.00 61.79 59.96 1x67 h SER 81 Cb 1.67 -0.04 -0.12 0.00 0.14 0.00 0.00 62.40 64.06 1x67 h SER 81 CO -0.35 0.18 -0.34 0.61 -1.14 0.00 0.00 176.83 175.78 1x67 n GLY 82 N -1.51 1.38 3.50 -3.77 0.00 -1.21 -4.95 105.19 98.64 1x67 n GLY 82 Ca 0.19 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.12 2.72 -0.11 0.99 1.43 -1.26 -4.82 118.68 113.50 1x67 s LEU 83 Ca 0.00 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 1x67 s LEU 83 Cb 0.00 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1x67 s LEU 83 CO 0.00 0.13 1.46 -2.16 0.23 0.00 0.00 176.35 176.00 1x67 s PRO 84 N -2.60 4.20 0.22 1.29 0.04 -1.26 -1.01 135.00 135.89 1x67 s PRO 84 Ca 0.22 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.27 1x67 s PRO 84 Cb -0.09 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1x67 s PRO 84 CO 0.12 -0.78 -0.11 0.15 0.04 0.00 0.00 177.00 176.42 1x67 s LYS 85 N 3.77 1.97 -0.16 4.56 -0.14 0.36 -4.96 119.74 125.13 1x67 s LYS 85 Ca 0.64 -1.44 -0.03 0.00 -1.36 0.00 0.00 55.97 53.78 1x67 s LYS 85 Cb -0.27 -2.04 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 1x67 s LYS 85 CO 0.22 0.39 -0.05 -0.06 -0.76 0.00 0.00 175.35 175.09 1x67 s PHE 86 N -2.01 2.97 -0.07 3.18 0.08 -1.26 -2.85 117.98 118.02 1x67 s PHE 86 Ca 0.27 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1x67 s PHE 86 Cb -0.07 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1x67 s PHE 86 CO 0.16 -0.17 -0.05 0.08 -0.10 0.00 0.00 175.22 175.14 1x67 s VAL 87 N 0.59 3.86 -0.20 -0.44 1.01 -1.16 -0.23 120.40 123.83 1x67 s VAL 87 Ca -0.04 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1x67 s VAL 87 Cb -0.15 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1x67 s VAL 87 CO 0.03 0.60 -0.17 -0.22 0.00 0.00 0.00 175.10 175.34 1x67 s LEU 88 N -0.81 2.44 -0.13 3.92 1.98 -0.83 -3.58 118.68 121.68 1x67 s LEU 88 Ca 0.12 -0.85 0.01 0.00 -2.89 0.00 0.00 54.13 50.53 1x67 s LEU 88 Cb -0.11 -1.46 -0.01 0.00 0.66 0.00 0.00 46.19 45.27 1x67 s LEU 88 CO 0.02 -0.06 -0.16 -0.63 -1.89 0.00 0.00 176.35 173.62 1x67 s ILE 89 N 1.26 2.75 -1.15 6.68 1.01 -1.02 -0.78 121.20 129.96 1x67 s ILE 89 Ca 0.01 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1x67 s ILE 89 Cb -0.15 -2.13 0.25 0.00 0.01 0.00 0.00 42.46 40.44 1x67 s ILE 89 CO -0.10 0.53 1.41 0.59 0.00 0.00 0.00 174.94 177.37 1x67 n ASN 90 N 3.61 5.68 -4.65 3.58 3.02 0.12 -2.31 115.26 124.30 1x67 n ASN 90 Ca -0.18 -3.15 -0.50 0.00 -0.03 0.00 0.00 54.58 50.71 1x67 n ASN 90 Cb 0.53 -1.40 -0.05 0.00 -0.61 0.00 0.00 39.78 38.25 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 3.01 2.03 -3.68 3.10 -0.00 -0.76 -3.93 117.44 117.22 1x67 n TRP 91 Ca 0.30 0.36 -0.30 0.00 -0.00 0.00 0.00 57.50 57.86 1x67 n TRP 91 Cb 0.37 -2.50 -0.14 0.00 -0.00 0.00 0.00 31.31 29.05 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 1.80 0.84 0.28 5.87 2.01 -1.24 -2.34 115.64 122.86 1x67 s THR 92 Ca 0.86 -1.66 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 1x67 s THR 92 Cb -0.82 -1.62 -0.14 0.00 0.01 0.00 0.00 72.50 69.93 1x67 s THR 92 CO 0.47 -0.77 1.17 0.61 -0.69 0.00 0.00 174.62 175.42 1x67 n GLY 93 N 4.48 0.19 0.21 4.40 0.00 -1.26 -4.35 105.19 108.86 1x67 n GLY 93 Ca 0.02 0.38 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 2.69 0.35 0.00 1.61 4.11 -1.86 -2.73 114.58 118.75 1x67 h GLU 94 Ca -0.43 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 58.84 1x67 h GLU 94 Cb 1.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1x67 h GLU 94 CO 0.65 0.69 -0.00 0.78 0.07 0.00 0.00 179.01 181.19 1x67 h GLY 95 N 1.15 0.00 -4.77 1.06 0.00 -1.84 -3.42 103.07 95.24 1x67 h GLY 95 Ca 0.03 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.82 1x67 h GLY 95 CO 0.06 0.00 0.79 0.14 0.00 0.00 0.00 176.54 177.54 1x67 s VAL 96 N -4.19 3.65 1.29 4.60 1.01 -1.03 -5.00 120.40 120.73 1x67 s VAL 96 Ca -0.05 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.83 1x67 s VAL 96 Cb 0.13 -3.70 0.30 0.00 0.00 0.00 0.00 36.38 33.11 1x67 s VAL 96 CO 0.43 0.02 0.74 -0.46 0.00 0.00 0.00 175.10 175.84 1x67 n ASN 97 N 5.00 -3.12 0.10 3.32 6.94 -1.26 -4.80 115.26 121.44 1x67 n ASN 97 Ca 0.13 -0.52 -0.23 0.00 -0.02 0.00 0.00 54.58 53.94 1x67 n ASN 97 Cb 0.44 -1.04 -0.14 0.00 -2.36 0.00 0.00 39.78 36.67 1x67 n ASN 97 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1x67 h ASP 98 N -3.08 0.78 -0.30 0.53 1.82 -1.95 -2.78 116.42 111.43 1x67 h ASP 98 Ca -0.47 -0.88 0.09 0.00 -0.39 0.00 0.00 57.03 55.38 1x67 h ASP 98 Cb 1.26 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 1x67 h ASP 98 CO 0.33 1.59 0.31 0.58 -1.61 0.00 0.00 179.24 180.44 1x67 h VAL 99 N 0.09 0.46 0.11 2.25 2.07 -2.00 -1.00 116.25 118.23 1x67 h VAL 99 Ca -0.20 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 66.97 1x67 h VAL 99 Cb 1.92 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1x67 h VAL 99 CO 0.23 0.00 -1.90 -0.09 0.02 0.00 0.00 177.57 175.83 1x67 h ARG 100 N 0.00 0.23 -0.81 1.57 9.65 -1.92 -3.22 114.38 119.89 1x67 h ARG 100 Ca 0.14 -0.40 0.09 0.00 -1.10 0.00 0.00 59.98 58.72 1x67 h ARG 100 Cb 0.77 0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 29.44 1x67 h ARG 100 CO -0.00 1.10 0.53 0.87 2.80 0.00 0.00 179.97 185.27 1x67 h LYS 101 N 0.06 0.74 0.00 0.20 1.57 -0.91 0.28 116.57 118.52 1x67 h LYS 101 Ca -0.38 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1x67 h LYS 101 Cb 2.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.18 1x67 h LYS 101 CO 0.10 0.49 -0.38 0.78 -0.57 0.00 0.00 179.45 179.88 1x67 h GLY 102 N 0.77 0.00 1.26 3.86 0.00 -1.55 -3.03 103.07 104.38 1x67 h GLY 102 Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.55 1x67 h GLY 102 CO -0.14 0.00 -1.16 0.00 0.00 0.00 0.00 176.54 175.23 1x67 h ALA 103 N 2.03 0.65 0.00 3.60 0.00 -1.12 -3.34 119.26 121.09 1x67 h ALA 103 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 54.91 54.04 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 0.82 -1.01 0.00 0.00 0.00 0.00 179.25 179.06 1x67 h ALA 105 N 1.38 1.81 -0.11 0.00 0.00 -1.64 -0.18 119.26 120.53 1x67 h ALA 105 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1x67 h ALA 105 Cb 1.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1x67 h ALA 105 CO 0.07 0.07 0.11 1.03 0.00 0.00 0.00 179.25 180.53 1x67 h SER 106 N 0.62 0.00 1.17 0.00 0.87 -1.74 0.55 113.55 115.03 1x67 h SER 106 Ca 0.29 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.72 1x67 h SER 106 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1x67 h SER 106 CO -0.09 0.00 -0.63 0.45 -0.53 0.00 0.00 176.83 176.02 1x67 h HIS 107 N 0.00 0.00 -0.89 2.24 3.86 -1.24 -3.25 115.15 115.88 1x67 h HIS 107 Ca 0.05 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.45 1x67 h HIS 107 Cb 0.27 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.68 1x67 h HIS 107 CO 0.00 0.63 0.58 0.28 0.86 0.00 0.00 177.93 180.29 1x67 h VAL 108 N 0.00 0.72 -0.70 2.45 2.07 -0.86 0.99 116.25 120.92 1x67 h VAL 108 Ca -0.01 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1x67 h VAL 108 Cb 1.39 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1x67 h VAL 108 CO 0.08 0.09 0.20 -1.28 0.02 0.00 0.00 177.57 176.68 1x67 h SER 109 N 0.48 1.02 0.09 0.57 0.87 -1.65 0.19 113.55 115.12 1x67 h SER 109 Ca 0.46 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1x67 h SER 109 Cb 1.04 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1x67 h SER 109 CO -0.19 0.96 -0.04 0.74 -0.53 0.00 0.00 176.83 177.77 1x67 h THR 110 N 1.04 1.10 -0.93 2.23 2.02 -1.06 -3.18 112.91 114.13 1x67 h THR 110 Ca 0.22 -1.37 0.08 0.00 0.77 0.00 0.00 66.41 66.11 1x67 h THR 110 Cb 0.32 1.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 1x67 h THR 110 CO -0.00 0.30 0.60 0.24 0.37 0.00 0.00 175.52 177.03 1x67 h MET 111 N -0.83 0.99 -0.68 6.66 2.07 -1.06 -1.73 114.93 120.35 1x67 h MET 111 Ca -0.01 -0.06 0.08 0.00 -2.07 0.00 0.00 59.70 57.64 1x67 h MET 111 Cb 0.59 -0.22 -0.07 0.00 -1.87 0.00 0.00 31.60 30.03 1x67 h MET 111 CO 0.02 0.65 0.34 0.00 1.07 0.00 0.00 176.91 179.00 1x67 h ALA 112 N 1.51 0.93 -0.42 6.32 0.00 -1.02 -0.66 119.26 125.93 1x67 h ALA 112 Ca 0.41 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1x67 h ALA 112 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x67 h ALA 112 CO -0.17 -0.04 -0.14 0.77 0.00 0.00 0.00 179.25 179.67 1x67 h SER 113 N 0.60 0.85 0.35 0.00 0.02 -1.31 -3.24 113.55 110.83 1x67 h SER 113 Ca 0.33 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1x67 h SER 113 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1x67 h SER 113 CO -0.25 1.04 -0.25 0.15 -1.14 0.00 0.00 176.83 176.38 1x67 h PHE 114 N 0.66 -0.66 -0.91 3.45 3.57 -0.76 -3.10 116.94 119.20 1x67 h PHE 114 Ca 0.10 -0.00 -0.73 0.00 3.53 0.00 0.00 57.97 60.87 1x67 h PHE 114 Cb 0.69 0.24 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1x67 h PHE 114 CO 0.05 -0.38 2.69 1.28 -2.23 0.00 0.00 178.31 179.72 1x67 n LEU 115 N -5.38 8.00 -4.53 0.59 4.77 -0.32 -4.98 117.00 115.15 1x67 n LEU 115 Ca -0.10 -4.73 -0.29 0.00 -0.03 0.00 0.00 56.01 50.87 1x67 n LEU 115 Cb 0.29 -1.43 0.24 0.00 -2.33 0.00 0.00 43.42 40.19 1x67 n LEU 115 CO 0.32 1.95 0.54 -0.54 -1.33 0.00 0.00 177.39 178.34 1x67 s LYS 116 N -0.15 -0.86 0.00 3.23 -0.14 -1.17 -3.85 119.74 116.80 1x67 s LYS 116 Ca 0.55 0.58 0.00 0.00 -1.36 0.00 0.00 55.97 55.75 1x67 s LYS 116 Cb 0.17 -1.58 0.00 0.00 -1.68 0.00 0.00 37.83 34.74 1x67 s LYS 116 CO -0.08 -3.61 0.00 0.41 -0.76 0.00 0.00 175.35 171.31 1x67 n GLY 117 N 0.20 3.10 3.50 -3.33 0.00 -1.26 -4.98 105.19 102.42 1x67 n GLY 117 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.17 0.77 0.19 4.61 0.00 -1.25 -4.23 120.51 119.43 1x67 n ALA 118 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 53.44 53.01 1x67 n ALA 118 Cb 0.00 -2.75 0.37 0.00 0.00 0.00 0.00 19.45 17.07 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 15.22 0.00 -3.27 0.00 3.86 -0.99 -3.44 115.15 126.54 1x67 h HIS 119 Ca -0.20 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.82 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 0.99 0.38 -0.51 0.08 0.86 0.00 0.00 177.93 179.74 1x67 s VAL 120 N -3.92 -0.00 -0.01 2.45 1.01 -1.24 -5.04 120.40 113.64 1x67 s VAL 120 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1x67 s VAL 120 Cb 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1x67 s VAL 120 CO 0.70 0.01 -0.13 -0.89 0.00 0.00 0.00 175.10 174.79 1x67 s THR 121 N 0.22 3.18 -0.03 3.92 2.01 -1.26 -1.96 115.64 121.73 1x67 s THR 121 Ca -0.01 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1x67 s THR 121 Cb -0.02 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.21 1x67 s THR 121 CO -0.01 0.48 0.03 -0.63 -0.69 0.00 0.00 174.62 173.80 1x67 s ILE 122 N -0.85 0.00 -0.89 1.82 1.01 0.04 -4.99 121.20 117.34 1x67 s ILE 122 Ca 0.14 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 1x67 s ILE 122 Cb -0.11 -0.15 0.22 0.00 0.01 0.00 0.00 42.46 42.44 1x67 s ILE 122 CO 0.04 0.12 0.80 0.20 0.00 0.00 0.00 174.94 176.09 1x67 s ASN 123 N 1.25 6.23 0.74 3.58 0.02 -1.26 -0.70 114.94 124.80 1x67 s ASN 123 Ca -0.07 -3.47 0.00 0.00 -1.02 0.00 0.00 52.86 48.30 1x67 s ASN 123 Cb -0.13 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.15 1x67 s ASN 123 CO -0.03 -0.27 0.00 0.00 0.02 0.00 0.00 177.10 176.82 1x67 n ALA 124 N 2.73 0.00 0.00 0.60 0.00 -1.25 -4.96 120.51 117.63 1x67 n ALA 124 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1x67 n ALA 124 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1x67 n ALA 124 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x67 n ARG 125 N -0.99 0.00 -4.02 0.00 0.63 -1.26 -3.64 116.66 107.38 1x67 n ARG 125 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1x67 n ARG 125 Cb 0.00 -0.23 -0.04 0.00 0.45 0.00 0.00 32.46 32.64 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x67 s ALA 126 N -1.24 3.64 0.51 5.13 0.00 -1.26 -4.11 121.76 124.43 1x67 s ALA 126 Ca 0.00 -1.53 0.28 0.00 0.00 0.00 0.00 51.96 50.70 1x67 s ALA 126 Cb 0.00 -1.19 1.62 0.00 0.00 0.00 0.00 23.12 23.54 1x67 s ALA 126 CO 0.00 0.16 2.16 0.93 0.00 0.00 0.00 175.76 179.01 1x67 h GLU 127 N 1.44 0.00 0.00 0.00 5.08 -1.96 -0.87 114.58 118.27 1x67 h GLU 127 Ca -0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 1x67 h GLU 127 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1x67 h GLU 127 CO 0.60 0.06 -0.24 1.05 -1.00 0.00 0.00 179.01 179.48 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.90 114.58 115.27 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1x67 h GLU 128 Cb 0.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.28 1x67 h GLU 128 CO 0.01 0.24 0.27 -0.25 0.07 0.00 0.00 179.01 179.35 1x67 n ASP 129 N -3.33 4.15 -0.98 3.06 8.00 -0.33 -3.98 116.55 123.14 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 0.48 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 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 -0.17 0.00 -1.69 2.53 0.24 -1.10 -4.62 118.33 113.52 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 0.05 0.00 -1.47 0.00 0.00 33.84 34.21 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 2.77 0.17 7.34 8.01 -1.23 -4.81 118.70 130.95 1x67 s GLU 131 Ca 0.10 0.71 -0.23 0.00 0.01 0.00 0.00 54.97 55.57 1x67 s GLU 131 Cb 0.12 -1.99 0.06 0.00 -4.31 0.00 0.00 34.13 28.01 1x67 s GLU 131 CO -0.05 -1.16 1.59 -1.35 0.01 0.00 0.00 175.26 174.31 1x67 h PRO 132 N -0.75 -0.24 -0.27 0.39 0.11 -1.94 0.12 132.00 129.42 1x67 h PRO 132 Ca -0.45 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 1x67 h PRO 132 Cb 1.23 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1x67 h PRO 132 CO 0.60 -0.16 -0.28 1.05 -0.21 0.00 0.00 178.00 179.00 1x67 h GLU 133 N -0.25 0.54 0.00 1.05 4.11 -1.97 0.20 114.58 118.26 1x67 h GLU 133 Ca 0.18 -0.22 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1x67 h GLU 133 Cb 0.54 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x67 h GLU 133 CO -0.55 0.77 -0.14 0.00 0.07 0.00 0.00 179.01 179.15 1x67 n ILE 135 N -3.81 1.57 0.27 0.00 5.41 0.30 -4.26 119.36 118.83 1x67 n ILE 135 Ca -0.02 -0.32 0.12 0.00 1.00 0.00 0.00 62.75 63.53 1x67 n ILE 135 Cb 0.24 -1.86 0.76 0.00 -0.71 0.00 0.00 39.64 38.08 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 -0.70 0.00 0.00 0.38 2.86 -0.58 -1.25 114.93 115.65 1x67 h MET 136 Ca -0.51 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.10 1x67 h MET 136 Cb 1.61 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.26 1x67 h MET 136 CO -0.22 0.08 -0.16 1.49 1.06 0.00 0.00 176.91 179.16 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.57 -1.14 -2.58 114.58 117.14 1x67 h GLU 137 Ca -0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 1x67 h GLU 137 Cb 0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1x67 h GLU 137 CO 0.01 0.16 -1.86 1.63 -1.18 0.00 0.00 179.01 177.77 1x67 n LYS 138 N -3.79 0.65 -0.21 1.92 5.02 -0.53 -4.14 118.16 117.08 1x67 n LYS 138 Ca -0.02 0.10 -0.04 0.00 -2.02 0.00 0.00 58.31 56.34 1x67 n LYS 138 Cb 0.26 -1.67 0.15 0.00 -0.02 0.00 0.00 35.03 33.74 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 -0.40 -0.18 2.07 -1.02 -2.87 116.25 115.09 1x67 h VAL 139 Ca -0.29 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1x67 h VAL 139 Cb 1.79 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1x67 h VAL 139 CO 0.04 0.31 0.11 0.00 0.02 0.00 0.00 177.57 178.04 1x67 h ALA 140 N 1.29 0.53 -2.03 1.67 0.00 -1.67 -3.41 119.26 115.63 1x67 h ALA 140 Ca 0.22 -0.18 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 1x67 h ALA 140 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1x67 h ALA 140 CO -0.02 0.20 1.31 0.45 0.00 0.00 0.00 179.25 181.19 1x67 s SER 141 N -5.98 5.95 0.02 0.00 0.15 -1.08 -4.97 113.70 107.78 1x67 s SER 141 Ca -0.13 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1x67 s SER 141 Cb 0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1x67 s SER 141 CO 0.77 -1.57 0.00 0.61 1.20 0.00 0.00 173.24 174.24 1x67 n GLY 142 N 5.20 1.87 3.51 9.45 0.00 -1.26 -4.97 105.19 118.99 1x67 n GLY 142 Ca 0.24 -2.11 -0.52 0.00 0.00 0.00 0.00 46.02 43.62 1x67 n GLY 142 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x67 n PRO 143 N -0.86 1.12 -2.55 1.61 -0.02 -1.26 -4.91 135.00 128.13 1x67 n PRO 143 Ca 0.00 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 1x67 n PRO 143 Cb 0.00 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.09 1x67 n PRO 143 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1x67 s SER 144 N 6.20 7.28 -0.62 2.55 1.04 -1.26 -5.01 113.70 123.88 1x67 s SER 144 Ca 1.07 2.16 -0.13 0.00 0.48 0.00 0.00 55.95 59.53 1x67 s SER 144 Cb -0.93 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 62.73 1x67 s SER 144 CO 0.54 -0.13 0.55 -0.44 0.98 0.00 0.00 173.24 174.74 1x67 s SER 145 N -1.05 6.19 0.00 7.02 0.01 -1.26 -5.33 113.70 119.28 1x67 s SER 145 Ca 0.46 -2.17 0.00 0.00 1.31 0.00 0.00 55.95 55.55 1x67 s SER 145 Cb -0.29 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1x67 s SER 145 CO 0.37 -0.70 0.11 0.61 0.41 0.00 0.00 173.24 174.04