#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 2.39 -1.14 1.61 7.64 -1.26 -5.13 113.62 117.73 1x67 n SER 2 Ca 0.00 0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1x67 n SER 2 Cb 0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1x67 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x67 n SER 3 N -3.03 -6.80 0.00 6.43 7.64 -1.26 -5.07 113.62 111.53 1x67 n SER 3 Ca -0.19 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1x67 n SER 3 Cb 0.68 -2.78 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 4 N -2.81 4.56 6.86 0.23 0.00 -1.26 -5.14 105.19 107.63 1x67 n GLY 4 Ca 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1x67 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x67 n SER 5 N 0.00 -5.50 -2.15 1.61 2.88 -1.26 -4.86 113.62 104.34 1x67 n SER 5 Ca 0.00 0.03 -0.19 0.00 -1.33 0.00 0.00 58.87 57.39 1x67 n SER 5 Cb 0.00 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 1x67 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x67 n SER 6 N -2.66 -5.31 -3.15 -3.46 7.64 -1.26 -4.92 113.62 100.50 1x67 n SER 6 Ca 0.00 0.16 0.04 0.00 1.01 0.00 0.00 58.87 60.09 1x67 n SER 6 Cb 0.01 -4.52 -0.01 0.00 -1.01 0.00 0.00 64.21 58.69 1x67 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x67 s GLY 7 N -2.21 -0.94 -0.62 0.23 0.00 -1.26 -5.11 107.32 97.41 1x67 s GLY 7 Ca 0.00 1.86 -0.12 0.00 0.00 0.00 0.00 44.72 46.46 1x67 s GLY 7 CO 0.00 3.58 0.53 1.06 0.00 0.00 0.00 173.10 178.27 1x67 s MET 8 N 2.88 2.98 -0.28 2.90 -1.94 -1.26 -5.00 119.30 119.57 1x67 s MET 8 Ca 0.15 -2.08 -0.25 0.00 -1.71 0.00 0.00 55.69 51.80 1x67 s MET 8 Cb -0.12 -4.16 0.12 0.00 2.01 0.00 0.00 34.83 32.69 1x67 s MET 8 CO -0.20 -1.26 1.04 0.00 -0.01 0.00 0.00 175.02 174.59 1x67 s ALA 9 N 0.84 -1.98 0.68 3.03 0.00 -1.26 -4.61 121.76 118.45 1x67 s ALA 9 Ca 0.10 1.88 -0.17 0.00 0.00 0.00 0.00 51.96 53.78 1x67 s ALA 9 Cb -0.21 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 1x67 s ALA 9 CO -0.03 -0.24 1.13 0.00 0.00 0.00 0.00 175.76 176.63 1x67 n ALA 10 N 2.23 0.47 -0.03 0.00 0.00 -1.26 -4.92 120.51 117.00 1x67 n ALA 10 Ca -0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 1x67 n ALA 10 Cb 0.56 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.78 0.57 -2.03 0.00 5.15 -1.26 -4.97 115.26 110.94 1x67 n ASN 11 Ca 0.15 0.18 -0.19 0.00 -0.60 0.00 0.00 54.58 54.11 1x67 n ASN 11 Cb 0.49 -0.58 -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 -3.05 -1.62 -0.07 1.20 4.32 -1.26 -4.86 117.00 111.65 1x67 n LEU 12 Ca -0.04 0.22 -0.06 0.00 -0.02 0.00 0.00 56.01 56.11 1x67 n LEU 12 Cb 0.13 -2.75 -0.02 0.00 -1.62 0.00 0.00 43.42 39.17 1x67 n LEU 12 CO 0.05 -0.56 -0.49 -1.20 -1.22 0.00 0.00 177.39 173.98 1x67 n SER 13 N -1.63 1.72 -0.33 -1.43 7.64 -1.26 -2.55 113.62 115.78 1x67 n SER 13 Ca -0.21 0.43 0.13 0.00 1.01 0.00 0.00 58.87 60.23 1x67 n SER 13 Cb 0.66 -0.77 0.35 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.91 0.70 -0.33 1.43 3.08 -1.96 0.09 114.38 116.48 1x67 h ARG 14 Ca 0.00 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1x67 h ARG 14 Cb 0.72 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 1x67 h ARG 14 CO 0.00 0.46 -0.02 0.27 -1.07 0.00 0.00 179.97 179.61 1x67 n ASN 15 N -4.68 2.99 0.04 7.04 0.23 -1.26 -4.80 115.26 114.82 1x67 n ASN 15 Ca 0.22 -3.50 -0.05 0.00 -0.53 0.00 0.00 54.58 50.72 1x67 n ASN 15 Cb 0.56 -0.61 -0.03 0.00 -2.08 0.00 0.00 39.78 37.63 1x67 n ASN 15 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1x67 h GLY 16 N 1.24 -1.14 -0.10 4.83 0.00 -0.68 0.98 103.07 108.19 1x67 h GLY 16 Ca 0.16 0.53 0.28 0.00 0.00 0.00 0.00 47.33 48.29 1x67 h GLY 16 CO 0.35 -0.39 0.70 -2.55 0.00 0.00 0.00 176.54 174.65 1x67 h PRO 17 N -0.22 0.26 0.49 4.80 0.11 -1.85 -0.80 132.00 134.78 1x67 h PRO 17 Ca -0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1x67 h PRO 17 Cb 0.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1x67 h PRO 17 CO -0.07 0.17 -0.23 0.00 -0.21 0.00 0.00 178.00 177.66 1x67 h ALA 18 N 1.57 -0.65 -0.67 -0.75 0.00 -1.77 -2.70 119.26 114.28 1x67 h ALA 18 Ca 0.56 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.42 1x67 h ALA 18 Cb 1.66 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.61 1x67 h ALA 18 CO -0.19 -0.63 0.21 -0.07 0.00 0.00 0.00 179.25 178.58 1x67 h LEU 19 N -1.13 0.15 -0.57 0.00 3.38 -0.14 -1.01 115.31 115.99 1x67 h LEU 19 Ca -0.07 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1x67 h LEU 19 Cb 0.54 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1x67 h LEU 19 CO 0.11 0.07 0.23 -0.61 0.09 0.00 0.00 178.44 178.33 1x67 h GLN 20 N 0.36 0.42 -0.05 1.13 4.15 -1.23 -1.86 115.11 118.02 1x67 h GLN 20 Ca 0.36 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.79 1x67 h GLN 20 Cb 0.53 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 1x67 h GLN 20 CO -0.39 0.28 -0.23 1.49 -1.93 0.00 0.00 178.83 178.04 1x67 h GLU 21 N 0.43 -0.32 -0.05 1.69 4.81 -0.84 0.29 114.58 120.58 1x67 h GLU 21 Ca 0.27 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1x67 h GLU 21 Cb 0.29 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1x67 h GLU 21 CO -0.25 -0.22 0.07 0.00 -0.73 0.00 0.00 179.01 177.88 1x67 h ALA 22 N 0.56 1.55 0.00 2.92 0.00 -1.09 -0.19 119.26 123.00 1x67 h ALA 22 Ca 0.08 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1x67 h ALA 22 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1x67 h ALA 22 CO -0.24 -0.10 -1.19 -0.92 0.00 0.00 0.00 179.25 176.80 1x67 h TYR 23 N 0.00 0.00 -0.01 0.00 3.20 -0.18 -3.18 116.97 116.81 1x67 h TYR 23 Ca 0.03 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 1x67 h TYR 23 Cb 0.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1x67 h TYR 23 CO 0.00 0.78 -0.83 0.28 -1.64 0.00 0.00 178.16 176.76 1x67 h VAL 24 N 0.00 1.50 -0.09 1.81 2.07 0.13 -3.10 116.25 118.56 1x67 h VAL 24 Ca -0.12 -2.56 -0.08 0.00 0.82 0.00 0.00 66.70 64.76 1x67 h VAL 24 Cb 1.70 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1x67 h VAL 24 CO 0.08 0.74 -0.25 0.03 0.02 0.00 0.00 177.57 178.19 1x67 h ARG 25 N 0.09 0.33 -0.15 1.57 3.08 -1.43 1.00 114.38 118.87 1x67 h ARG 25 Ca -0.03 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 59.83 1x67 h ARG 25 Cb 1.43 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 1x67 h ARG 25 CO 0.12 0.85 0.12 0.28 -1.07 0.00 0.00 179.97 180.27 1x67 h VAL 26 N -0.14 0.81 0.00 2.04 2.07 -1.62 -1.05 116.25 118.36 1x67 h VAL 26 Ca -0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1x67 h VAL 26 Cb 0.87 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1x67 h VAL 26 CO 0.05 0.00 -1.50 1.33 0.02 0.00 0.00 177.57 177.47 1x67 n VAL 27 N -4.33 0.57 -3.49 2.57 0.24 -1.17 -4.66 118.33 108.06 1x67 n VAL 27 Ca 0.01 -0.58 -0.40 0.00 -2.04 0.00 0.00 64.34 61.33 1x67 n VAL 27 Cb 0.24 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.21 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 -3.28 5.25 0.05 3.34 2.01 0.34 -4.94 115.64 118.41 1x67 s THR 28 Ca -0.04 -0.09 0.33 0.00 0.31 0.00 0.00 61.69 62.19 1x67 s THR 28 Cb 0.11 -3.74 0.38 0.00 0.01 0.00 0.00 72.50 69.26 1x67 s THR 28 CO 0.84 -0.02 1.96 1.05 -0.69 0.00 0.00 174.62 177.76 1x67 h GLU 29 N 8.47 0.00 -0.14 4.92 4.11 -1.88 -3.21 114.58 126.84 1x67 h GLU 29 Ca -0.31 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.17 1x67 h GLU 29 Cb 1.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 1x67 h GLU 29 CO 0.65 0.00 -0.30 -0.22 0.07 0.00 0.00 179.01 179.20 1x67 h LYS 30 N 0.00 -0.36 -7.02 1.06 3.64 -1.92 -3.42 116.57 108.55 1x67 h LYS 30 Ca 0.00 0.02 -0.48 0.00 -1.27 0.00 0.00 60.65 58.92 1x67 h LYS 30 Cb 0.50 0.08 0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1x67 h LYS 30 CO 0.00 -0.24 0.14 -1.12 -2.27 0.00 0.00 179.45 175.97 1x67 s SER 31 N -4.94 5.94 -0.76 4.20 0.01 -1.21 -5.01 113.70 111.92 1x67 s SER 31 Ca -0.15 0.83 -0.25 0.00 1.31 0.00 0.00 55.95 57.68 1x67 s SER 31 Cb 0.11 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.40 1x67 s SER 31 CO 0.66 -0.82 1.23 -2.16 0.41 0.00 0.00 173.24 172.56 1x67 s PRO 32 N -4.87 3.23 -0.29 12.44 0.04 -1.26 -4.94 135.00 139.35 1x67 s PRO 32 Ca 0.51 -0.51 -0.13 0.00 0.04 0.00 0.00 61.00 60.90 1x67 s PRO 32 Cb -0.10 -4.35 0.11 0.00 0.04 0.00 0.00 34.50 30.20 1x67 s PRO 32 CO 0.45 -2.07 0.71 0.99 0.04 0.00 0.00 177.00 177.12 1x67 s THR 33 N 5.21 -0.47 -0.03 1.26 2.01 -1.26 -4.36 115.64 118.00 1x67 s THR 33 Ca 0.33 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.37 1x67 s THR 33 Cb -0.09 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1x67 s THR 33 CO 0.10 0.00 0.04 -0.67 -0.69 0.00 0.00 174.62 173.41 1x67 n ASP 34 N 4.82 4.08 -3.44 3.53 -0.08 0.27 -4.53 116.55 121.19 1x67 n ASP 34 Ca -0.16 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 52.94 1x67 n ASP 34 Cb 0.54 0.81 -0.08 0.00 2.34 0.00 0.00 41.12 44.73 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 -2.16 1.68 -0.30 -0.67 1.48 -0.96 -1.39 118.94 116.62 1x67 s TRP 35 Ca -0.02 -1.63 -0.15 0.00 -1.06 0.00 0.00 56.10 53.25 1x67 s TRP 35 Cb 0.02 -0.69 0.17 0.00 -1.16 0.00 0.00 33.47 31.81 1x67 s TRP 35 CO 0.16 -0.85 1.01 0.00 -4.06 0.00 0.00 176.95 173.20 1x67 s ALA 36 N -3.51 -2.80 -0.04 2.67 0.00 -0.92 -3.83 121.76 113.33 1x67 s ALA 36 Ca 0.40 1.98 -0.01 0.00 0.00 0.00 0.00 51.96 54.33 1x67 s ALA 36 Cb 0.03 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1x67 s ALA 36 CO 0.26 -1.00 0.06 -1.17 0.00 0.00 0.00 175.76 173.91 1x67 s LEU 37 N 2.46 3.85 -0.11 0.00 2.96 0.31 -1.69 118.68 126.47 1x67 s LEU 37 Ca -0.02 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1x67 s LEU 37 Cb -0.06 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.56 1x67 s LEU 37 CO -0.17 0.32 0.05 -0.36 -1.32 0.00 0.00 176.35 174.87 1x67 s PHE 38 N -1.09 0.36 0.29 5.38 0.08 -0.95 -0.33 117.98 121.72 1x67 s PHE 38 Ca 0.19 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.12 1x67 s PHE 38 Cb -0.12 -0.69 -0.06 0.00 -0.57 0.00 0.00 43.02 41.59 1x67 s PHE 38 CO 0.09 -0.38 0.03 -0.08 -0.10 0.00 0.00 175.22 174.78 1x67 s THR 39 N 2.08 1.16 1.06 0.64 -1.32 -0.04 -2.43 115.64 116.78 1x67 s THR 39 Ca 0.03 -2.03 -0.12 0.00 -1.21 0.00 0.00 61.69 58.36 1x67 s THR 39 Cb -0.14 -2.61 0.22 0.00 -1.51 0.00 0.00 72.50 68.46 1x67 s THR 39 CO -0.06 -0.13 1.07 -0.31 -2.21 0.00 0.00 174.62 172.98 1x67 s TYR 40 N -3.33 1.82 -0.04 9.09 1.51 -1.26 -0.13 117.35 125.00 1x67 s TYR 40 Ca 0.33 1.09 -0.01 0.00 -1.01 0.00 0.00 57.07 57.48 1x67 s TYR 40 Cb 0.07 -3.20 -0.00 0.00 -0.11 0.00 0.00 41.96 38.72 1x67 s TYR 40 CO 0.13 -3.24 -0.02 0.93 -1.11 0.00 0.00 175.55 172.24 1x67 h GLU 41 N -2.16 0.00 0.00 -0.62 4.39 -1.79 -3.44 114.58 110.97 1x67 h GLU 41 Ca -0.57 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1x67 h GLU 41 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1x67 h GLU 41 CO 0.54 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.80 1x67 n GLY 42 N 1.85 0.82 2.51 -3.84 0.00 -1.26 -5.02 105.19 100.25 1x67 n GLY 42 Ca -0.01 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 4.04 -3.54 1.61 5.15 -1.26 -5.04 115.26 116.22 1x67 n ASN 43 Ca 0.00 -3.51 -0.14 0.00 -0.60 0.00 0.00 54.58 50.33 1x67 n ASN 43 Cb 0.00 -0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 38.73 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x67 s SER 44 N -3.46 -0.50 -0.43 1.20 1.04 -1.26 -5.12 113.70 105.18 1x67 s SER 44 Ca 0.44 0.23 -0.28 0.00 0.48 0.00 0.00 55.95 56.81 1x67 s SER 44 Cb 0.41 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 67.05 1x67 s SER 44 CO -0.14 -0.75 1.57 0.20 0.98 0.00 0.00 173.24 175.10 1x67 s ASN 45 N -1.99 6.07 -0.31 7.02 -0.87 -1.26 -4.50 114.94 119.10 1x67 s ASN 45 Ca -0.05 0.82 -0.10 0.00 -1.57 0.00 0.00 52.86 51.96 1x67 s ASN 45 Cb -0.01 -2.54 0.21 0.00 -0.02 0.00 0.00 41.25 38.90 1x67 s ASN 45 CO -0.02 -1.65 1.16 -1.81 -2.57 0.00 0.00 177.10 172.21 1x67 s ASP 46 N 5.04 -0.06 0.24 -1.22 1.01 -1.26 -4.43 116.67 115.99 1x67 s ASP 46 Ca 0.66 -0.06 -0.31 0.00 0.71 0.00 0.00 52.55 53.54 1x67 s ASP 46 Cb -0.16 0.08 -0.11 0.00 1.01 0.00 0.00 42.92 43.74 1x67 s ASP 46 CO 0.31 -0.00 1.62 -0.63 0.21 0.00 0.00 175.17 176.67 1x67 s ILE 47 N 1.24 2.20 0.03 0.77 -1.09 -1.26 -3.55 121.20 119.54 1x67 s ILE 47 Ca 0.20 0.16 -0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1x67 s ILE 47 Cb 0.13 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 1x67 s ILE 47 CO -0.13 0.02 -0.03 0.00 -1.23 0.00 0.00 174.94 173.57 1x67 s ARG 48 N 0.38 0.42 0.33 2.79 1.70 0.81 -4.52 118.95 120.86 1x67 s ARG 48 Ca 0.68 -0.83 -0.27 0.00 -0.47 0.00 0.00 55.73 54.84 1x67 s ARG 48 Cb -0.47 0.13 -0.13 0.00 -0.57 0.00 0.00 34.95 33.90 1x67 s ARG 48 CO 0.39 -0.07 1.06 0.28 -1.08 0.00 0.00 175.30 175.89 1x67 n VAL 49 N 1.08 2.07 -0.00 4.99 0.31 -1.26 -0.87 118.33 124.66 1x67 n VAL 49 Ca -0.21 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.62 1x67 n VAL 49 Cb 0.57 -1.15 -0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.09 1.99 -3.62 3.52 0.00 0.55 -4.71 120.51 118.33 1x67 n ALA 50 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 1x67 n ALA 50 Cb 0.34 0.27 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.17 -0.03 -0.16 0.00 0.00 -1.18 -4.97 107.32 97.81 1x67 s GLY 51 Ca -0.00 2.70 -0.14 0.00 0.00 0.00 0.00 44.72 47.28 1x67 s GLY 51 CO 0.02 1.48 0.41 -0.51 0.00 0.00 0.00 173.10 174.50 1x67 s THR 52 N -0.45 -0.00 -0.02 0.90 -4.23 -1.26 -0.53 115.64 110.04 1x67 s THR 52 Ca 0.04 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 1x67 s THR 52 Cb -0.03 -0.58 0.11 0.00 1.34 0.00 0.00 72.50 73.34 1x67 s THR 52 CO -0.06 0.00 1.30 -0.83 -0.54 0.00 0.00 174.62 174.49 1x67 s GLY 53 N 0.35 -0.26 -0.34 3.99 0.00 -1.25 -5.02 107.32 104.80 1x67 s GLY 53 Ca -0.01 0.35 0.09 0.00 0.00 0.00 0.00 44.72 45.15 1x67 s GLY 53 CO -0.01 3.20 1.76 -2.21 0.00 0.00 0.00 173.10 175.84 1x67 n GLU 54 N -0.72 3.11 0.27 2.90 0.00 -1.26 -0.56 120.64 124.37 1x67 n GLU 54 Ca -0.02 -3.07 0.17 0.00 0.00 0.00 0.00 57.16 54.24 1x67 n GLU 54 Cb 0.61 -2.13 0.71 0.00 0.00 0.00 0.00 31.44 30.62 1x67 n GLU 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1x67 h GLY 55 N 2.03 0.00 0.00 8.31 0.00 -1.95 -3.44 103.07 108.02 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 0.73 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.88 1x67 n GLY 56 N -0.06 0.73 0.09 4.60 0.00 -1.26 -4.13 105.19 105.17 1x67 n GLY 56 Ca 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 0.82 0.03 0.99 4.77 -1.26 -3.02 117.00 119.32 1x67 n LEU 57 Ca 0.00 0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1x67 n LEU 57 Cb 0.00 0.09 0.20 0.00 -2.33 0.00 0.00 43.42 41.38 1x67 n LEU 57 CO 0.00 0.16 0.71 -0.33 -1.33 0.00 0.00 177.39 176.60 1x67 h GLU 58 N 0.00 0.45 0.01 3.23 5.08 -1.95 -2.64 114.58 118.76 1x67 h GLU 58 Ca -0.18 -0.18 -0.27 0.00 -1.00 0.00 0.00 59.36 57.74 1x67 h GLU 58 Cb 1.61 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.80 1x67 h GLU 58 CO 0.05 0.70 -1.46 1.49 -1.00 0.00 0.00 179.01 178.78 1x67 h GLU 59 N 0.40 0.01 -0.50 2.33 4.57 -1.72 -3.20 114.58 116.47 1x67 h GLU 59 Ca 0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1x67 h GLU 59 Cb 0.71 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1x67 h GLU 59 CO 0.05 0.70 0.27 1.98 -1.18 0.00 0.00 179.01 180.84 1x67 h MET 60 N 0.00 0.70 -0.02 1.92 4.05 -1.44 -2.56 114.93 117.59 1x67 h MET 60 Ca -0.19 -0.08 -0.13 0.00 -0.28 0.00 0.00 59.70 59.02 1x67 h MET 60 Cb 1.93 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 32.58 1x67 h MET 60 CO 0.10 0.55 -0.60 -0.39 0.23 0.00 0.00 176.91 176.80 1x67 h VAL 61 N 0.66 1.42 0.00 -5.77 -1.51 -1.61 -2.91 116.25 106.53 1x67 h VAL 61 Ca 0.18 -2.03 -0.00 0.00 -1.23 0.00 0.00 66.70 63.62 1x67 h VAL 61 Cb 0.05 2.08 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1x67 h VAL 61 CO -0.03 0.58 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.56 1x67 h GLU 62 N 0.04 0.00 0.01 5.19 4.39 -1.45 -1.53 114.58 121.23 1x67 h GLU 62 Ca -0.01 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.42 1x67 h GLU 62 Cb 1.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 1x67 h GLU 62 CO 0.08 0.01 -1.49 0.93 -1.16 0.00 0.00 179.01 177.38 1x67 h GLU 63 N 0.00 0.02 -6.20 2.33 4.39 -1.35 -3.46 114.58 110.31 1x67 h GLU 63 Ca -0.00 -0.03 -0.67 0.00 0.34 0.00 0.00 59.36 59.00 1x67 h GLU 63 Cb 0.02 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1x67 h GLU 63 CO 0.00 0.69 1.04 1.28 -1.16 0.00 0.00 179.01 180.86 1x67 n LEU 64 N -3.16 2.94 -4.53 1.33 4.77 -0.58 -4.93 117.00 112.84 1x67 n LEU 64 Ca -0.12 0.98 -0.39 0.00 -0.03 0.00 0.00 56.01 56.45 1x67 n LEU 64 Cb 1.02 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 1x67 n LEU 64 CO 0.46 -0.24 -0.16 0.20 -1.33 0.00 0.00 177.39 176.32 1x67 s ASN 65 N 4.07 5.93 -0.67 -1.43 0.01 -1.26 -5.02 114.94 116.55 1x67 s ASN 65 Ca 0.96 -0.30 -0.26 0.00 -0.71 0.00 0.00 52.86 52.55 1x67 s ASN 65 Cb -0.86 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 38.67 1x67 s ASN 65 CO 0.58 -0.16 1.86 -0.94 -1.51 0.00 0.00 177.10 176.93 1x67 s SER 66 N 1.71 5.27 0.00 -1.22 1.04 -1.26 -2.79 113.70 116.46 1x67 s SER 66 Ca 0.06 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1x67 s SER 66 Cb -0.17 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x67 s SER 66 CO 0.10 -2.43 0.00 0.61 0.98 0.00 0.00 173.24 172.50 1x67 n GLY 67 N 5.91 0.44 3.13 7.32 0.00 -1.26 -4.65 105.19 116.08 1x67 n GLY 67 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 1.23 0.06 1.61 1.02 -1.12 -3.95 119.74 118.59 1x67 s LYS 68 Ca 0.00 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 1x67 s LYS 68 Cb 0.00 -1.19 -0.06 0.00 -0.52 0.00 0.00 37.83 36.06 1x67 s LYS 68 CO 0.00 0.33 1.29 0.08 -0.92 0.00 0.00 175.35 176.13 1x67 s VAL 69 N -0.37 3.78 0.15 3.17 1.01 -1.26 -4.15 120.40 122.73 1x67 s VAL 69 Ca 0.06 1.25 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 1x67 s VAL 69 Cb -0.06 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1x67 s VAL 69 CO -0.01 0.07 0.16 -0.04 0.00 0.00 0.00 175.10 175.29 1x67 s MET 70 N 1.39 1.04 -0.17 2.72 1.00 -0.52 -4.56 119.30 120.20 1x67 s MET 70 Ca 0.61 -1.32 0.01 0.00 0.00 0.00 0.00 55.69 54.99 1x67 s MET 70 Cb -0.32 0.30 0.02 0.00 0.00 0.00 0.00 34.83 34.84 1x67 s MET 70 CO 0.28 -0.34 -0.20 0.71 0.00 0.00 0.00 175.02 175.47 1x67 s TYR 71 N -4.01 2.71 -0.19 -0.03 1.51 -1.02 -1.33 117.35 114.99 1x67 s TYR 71 Ca 0.21 -1.54 -0.07 0.00 -1.01 0.00 0.00 57.07 54.66 1x67 s TYR 71 Cb 0.06 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1x67 s TYR 71 CO 0.01 -0.75 0.06 0.00 -1.11 0.00 0.00 175.55 173.77 1x67 s ALA 72 N 1.17 3.37 -0.33 3.71 0.00 -0.80 -2.25 121.76 126.64 1x67 s ALA 72 Ca 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1x67 s ALA 72 Cb -0.14 -1.93 0.10 0.00 0.00 0.00 0.00 23.12 21.15 1x67 s ALA 72 CO -0.10 0.10 0.07 0.12 0.00 0.00 0.00 175.76 175.95 1x67 s PHE 73 N 0.52 2.93 0.29 0.00 5.36 -0.68 -1.99 117.98 124.41 1x67 s PHE 73 Ca 0.03 -2.48 0.07 0.00 -0.96 0.00 0.00 56.93 53.59 1x67 s PHE 73 Cb -0.13 -2.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 1x67 s PHE 73 CO 0.01 -0.92 0.30 0.00 -1.46 0.00 0.00 175.22 173.15 1x67 s ARG 75 N -3.97 0.58 0.31 0.00 3.52 -0.49 -2.82 118.95 116.09 1x67 s ARG 75 Ca 0.37 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.77 1x67 s ARG 75 Cb -0.08 -1.75 -0.05 0.00 -1.56 0.00 0.00 34.95 31.51 1x67 s ARG 75 CO 0.27 -0.55 0.10 0.14 -0.81 0.00 0.00 175.30 174.45 1x67 s VAL 76 N 1.92 0.75 -0.13 7.11 -7.23 -1.14 -4.93 120.40 116.74 1x67 s VAL 76 Ca 0.01 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1x67 s VAL 76 Cb -0.16 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1x67 s VAL 76 CO -0.07 0.00 0.04 -1.59 -0.31 0.00 0.00 175.10 173.17 1x67 s LYS 77 N -3.92 3.49 1.00 4.82 -2.85 -1.26 -0.30 119.74 120.72 1x67 s LYS 77 Ca 0.35 -0.36 -0.13 0.00 -1.00 0.00 0.00 55.97 54.83 1x67 s LYS 77 Cb 0.07 -3.02 0.09 0.00 -2.06 0.00 0.00 37.83 32.92 1x67 s LYS 77 CO 0.15 0.51 0.52 -0.25 0.10 0.00 0.00 175.35 176.38 1x67 n ASP 78 N 2.78 -1.66 -0.03 0.03 9.92 -0.49 -4.86 116.55 122.24 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 -1.22 -0.11 0.00 -0.64 0.00 0.00 41.12 39.69 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 -1.82 0.14 0.00 -0.24 0.13 -1.92 -3.17 132.00 125.12 1x67 h PRO 79 Ca -0.47 -0.12 -0.46 0.00 -0.87 0.00 0.00 66.00 64.09 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 0.80 -2.54 0.09 -0.23 0.00 0.00 178.00 176.49 1x67 n ASN 80 N -4.61 1.96 -0.35 1.44 3.02 -1.26 -4.48 115.26 110.98 1x67 n ASN 80 Ca -0.09 0.28 0.10 0.00 -0.03 0.00 0.00 54.58 54.83 1x67 n ASN 80 Cb 0.42 -0.77 0.28 0.00 -0.61 0.00 0.00 39.78 39.10 1x67 n ASN 80 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x67 h SER 81 N -0.86 0.83 -0.71 6.41 0.87 -1.97 -3.45 113.55 114.66 1x67 h SER 81 Ca -0.69 0.07 -0.25 0.00 -1.23 0.00 0.00 61.79 59.69 1x67 h SER 81 Cb 1.66 -0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 63.44 1x67 h SER 81 CO -0.38 0.37 -0.24 0.61 -0.53 0.00 0.00 176.83 176.66 1x67 n GLY 82 N -1.34 1.19 3.59 5.77 0.00 -1.20 -4.95 105.19 108.25 1x67 n GLY 82 Ca 0.21 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1x67 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x67 s LEU 83 N -2.91 3.05 -0.29 0.99 1.43 -1.26 -4.78 118.68 114.90 1x67 s LEU 83 Ca 0.00 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 1x67 s LEU 83 Cb 0.00 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1x67 s LEU 83 CO 0.00 0.12 1.57 -2.16 0.23 0.00 0.00 176.35 176.11 1x67 s PRO 84 N -2.69 3.68 0.06 1.29 0.04 -1.26 -1.40 135.00 134.73 1x67 s PRO 84 Ca 0.24 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1x67 s PRO 84 Cb -0.09 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 1x67 s PRO 84 CO 0.15 -1.43 -0.03 0.15 0.04 0.00 0.00 177.00 175.89 1x67 s LYS 85 N 4.83 2.52 -0.17 4.56 -0.14 0.59 -4.98 119.74 126.94 1x67 s LYS 85 Ca 0.69 -0.81 -0.08 0.00 -1.36 0.00 0.00 55.97 54.41 1x67 s LYS 85 Cb -0.21 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 1x67 s LYS 85 CO 0.30 0.56 0.11 -0.06 -0.76 0.00 0.00 175.35 175.50 1x67 s PHE 86 N -1.20 3.40 -0.01 3.18 0.08 -1.26 -2.89 117.98 119.27 1x67 s PHE 86 Ca 0.22 0.30 0.06 0.00 0.12 0.00 0.00 56.93 57.64 1x67 s PHE 86 Cb -0.11 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1x67 s PHE 86 CO 0.14 0.36 -0.21 0.08 -0.10 0.00 0.00 175.22 175.50 1x67 s VAL 87 N -0.01 2.55 -0.18 -0.44 1.01 -1.13 -0.11 120.40 122.09 1x67 s VAL 87 Ca 0.09 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1x67 s VAL 87 Cb -0.12 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1x67 s VAL 87 CO 0.00 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.20 1x67 s LEU 88 N -0.87 2.09 -0.12 3.92 1.98 -0.96 -3.45 118.68 121.28 1x67 s LEU 88 Ca 0.12 -0.64 0.02 0.00 -2.89 0.00 0.00 54.13 50.74 1x67 s LEU 88 Cb -0.10 -1.45 -0.01 0.00 0.66 0.00 0.00 46.19 45.29 1x67 s LEU 88 CO 0.01 -0.01 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.64 1x67 s ILE 89 N 1.31 2.48 -1.14 6.68 1.01 -0.84 -1.44 121.20 129.25 1x67 s ILE 89 Ca 0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 1x67 s ILE 89 Cb -0.13 -2.00 0.26 0.00 0.01 0.00 0.00 42.46 40.60 1x67 s ILE 89 CO -0.13 0.54 1.36 0.59 0.00 0.00 0.00 174.94 177.30 1x67 n ASN 90 N 3.60 5.68 -4.55 3.58 3.02 -0.60 -1.90 115.26 124.09 1x67 n ASN 90 Ca -0.19 -3.14 -0.49 0.00 -0.03 0.00 0.00 54.58 50.73 1x67 n ASN 90 Cb 0.53 -1.39 -0.06 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 2.96 1.87 -3.78 3.10 -0.00 -0.44 -4.03 117.44 117.12 1x67 n TRP 91 Ca 0.29 0.16 -0.29 0.00 -0.00 0.00 0.00 57.50 57.66 1x67 n TRP 91 Cb 0.38 -2.59 -0.13 0.00 -0.00 0.00 0.00 31.31 28.97 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 6.40 1.85 0.50 5.87 2.01 -1.17 -1.44 115.64 129.67 1x67 s THR 92 Ca 1.03 -2.99 -0.21 0.00 0.31 0.00 0.00 61.69 59.83 1x67 s THR 92 Cb -0.75 -2.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 1x67 s THR 92 CO 0.49 -0.90 0.86 0.61 -0.69 0.00 0.00 174.62 174.99 1x67 n GLY 93 N 3.18 -0.60 0.17 4.40 0.00 -1.26 -4.31 105.19 106.78 1x67 n GLY 93 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.91 0.00 -0.02 1.61 4.11 -1.88 -2.89 114.58 116.42 1x67 h GLU 94 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1x67 h GLU 94 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1x67 h GLU 94 CO 0.53 0.45 0.10 0.78 0.07 0.00 0.00 179.01 180.94 1x67 h GLY 95 N 1.67 0.00 -4.94 1.06 0.00 -1.84 -3.41 103.07 95.61 1x67 h GLY 95 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1x67 h GLY 95 CO 0.06 0.00 0.79 0.14 0.00 0.00 0.00 176.54 177.53 1x67 s VAL 96 N -4.21 4.24 1.23 4.60 1.01 -1.09 -4.97 120.40 121.21 1x67 s VAL 96 Ca -0.05 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.30 1x67 s VAL 96 Cb 0.12 -3.99 0.26 0.00 0.00 0.00 0.00 36.38 32.77 1x67 s VAL 96 CO 0.40 -0.06 0.58 -0.46 0.00 0.00 0.00 175.10 175.55 1x67 n ASN 97 N 5.81 -3.11 0.13 3.32 6.94 -1.26 -4.77 115.26 122.32 1x67 n ASN 97 Ca 0.12 -0.48 -0.24 0.00 -0.02 0.00 0.00 54.58 53.96 1x67 n ASN 97 Cb 0.45 -0.97 -0.15 0.00 -2.36 0.00 0.00 39.78 36.76 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 -2.93 0.87 -0.28 0.53 3.32 -1.95 -2.79 116.42 113.18 1x67 h ASP 98 Ca -0.42 -0.89 0.08 0.00 0.02 0.00 0.00 57.03 55.82 1x67 h ASP 98 Cb 1.17 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1x67 h ASP 98 CO 0.29 1.69 0.23 0.58 -1.72 0.00 0.00 179.24 180.30 1x67 h VAL 99 N 0.19 0.71 0.15 -1.35 2.07 -2.00 -1.93 116.25 114.09 1x67 h VAL 99 Ca -0.24 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 66.97 1x67 h VAL 99 Cb 2.10 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1x67 h VAL 99 CO 0.27 0.00 -1.56 -0.09 0.02 0.00 0.00 177.57 176.21 1x67 h ARG 100 N 0.00 0.32 -0.91 1.57 9.65 -1.92 -3.19 114.38 119.90 1x67 h ARG 100 Ca 0.13 -0.55 0.20 0.00 -1.10 0.00 0.00 59.98 58.66 1x67 h ARG 100 Cb 0.58 0.20 -0.07 0.00 -1.39 0.00 0.00 29.97 29.29 1x67 h ARG 100 CO -0.00 1.26 0.60 0.87 2.80 0.00 0.00 179.97 185.50 1x67 h LYS 101 N -0.11 0.46 0.00 0.20 1.57 -1.08 0.34 116.57 117.95 1x67 h LYS 101 Ca -0.32 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1x67 h LYS 101 Cb 1.92 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1x67 h LYS 101 CO 0.12 0.30 -0.39 0.78 -0.57 0.00 0.00 179.45 179.70 1x67 h GLY 102 N 0.47 0.00 1.28 3.86 0.00 -1.57 -3.03 103.07 104.08 1x67 h GLY 102 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.67 1x67 h GLY 102 CO -0.20 0.00 -1.13 0.00 0.00 0.00 0.00 176.54 175.20 1x67 h ALA 103 N 2.01 0.65 0.00 3.60 0.00 -0.51 -3.34 119.26 121.67 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 0.99 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1x67 h ALA 103 CO 0.00 0.80 -1.01 0.00 0.00 0.00 0.00 179.25 179.03 1x67 h ALA 105 N 1.39 2.08 -0.17 0.00 0.00 -1.64 -1.02 119.26 119.90 1x67 h ALA 105 Ca -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1x67 h ALA 105 Cb 1.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1x67 h ALA 105 CO 0.06 -0.11 0.03 0.77 0.00 0.00 0.00 179.25 180.00 1x67 h SER 106 N 0.01 0.21 0.95 0.00 0.02 -1.73 -1.54 113.55 111.47 1x67 h SER 106 Ca 0.05 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1x67 h SER 106 Cb 0.18 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1x67 h SER 106 CO -0.00 0.24 -0.65 0.45 -1.14 0.00 0.00 176.83 175.73 1x67 h HIS 107 N 0.24 0.00 -0.91 3.45 3.86 -1.40 -3.21 115.15 117.19 1x67 h HIS 107 Ca 0.06 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.47 1x67 h HIS 107 Cb 0.12 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.52 1x67 h HIS 107 CO 0.00 0.65 0.60 0.28 0.86 0.00 0.00 177.93 180.31 1x67 h VAL 108 N 0.00 0.69 -0.77 2.45 2.07 -1.19 0.24 116.25 119.73 1x67 h VAL 108 Ca -0.01 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1x67 h VAL 108 Cb 1.30 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1x67 h VAL 108 CO 0.08 0.08 0.31 -1.28 0.02 0.00 0.00 177.57 176.79 1x67 h SER 109 N 0.45 1.06 0.04 0.57 0.87 -1.63 0.70 113.55 115.61 1x67 h SER 109 Ca 0.47 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 1x67 h SER 109 Cb 1.12 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1x67 h SER 109 CO -0.19 0.94 -0.34 0.74 -0.53 0.00 0.00 176.83 177.45 1x67 h THR 110 N 1.11 1.60 -0.47 2.23 2.02 -1.05 -3.25 112.91 115.09 1x67 h THR 110 Ca 0.26 -2.21 0.03 0.00 0.77 0.00 0.00 66.41 65.25 1x67 h THR 110 Cb 0.21 3.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.63 1x67 h THR 110 CO -0.02 0.60 0.27 0.24 0.37 0.00 0.00 175.52 176.98 1x67 h MET 111 N -0.59 0.52 -0.97 6.66 2.07 -0.63 -2.00 114.93 119.99 1x67 h MET 111 Ca -0.05 -0.03 0.17 0.00 -2.07 0.00 0.00 59.70 57.72 1x67 h MET 111 Cb 1.18 -0.12 -0.10 0.00 -1.87 0.00 0.00 31.60 30.69 1x67 h MET 111 CO 0.07 0.34 0.57 0.00 1.07 0.00 0.00 176.91 178.96 1x67 h ALA 112 N 1.23 1.55 -0.39 6.32 0.00 -0.97 -0.36 119.26 126.65 1x67 h ALA 112 Ca 0.20 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1x67 h ALA 112 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1x67 h ALA 112 CO -0.11 -0.03 -0.29 0.77 0.00 0.00 0.00 179.25 179.59 1x67 h SER 113 N 0.76 0.92 0.02 0.00 0.02 -1.42 -3.22 113.55 110.63 1x67 h SER 113 Ca 0.54 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1x67 h SER 113 Cb 0.79 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1x67 h SER 113 CO -0.37 1.17 -0.09 0.15 -1.14 0.00 0.00 176.83 176.56 1x67 h PHE 114 N 0.69 -0.22 -1.84 3.45 3.57 -0.44 -3.15 116.94 118.99 1x67 h PHE 114 Ca 0.07 0.01 -0.77 0.00 3.53 0.00 0.00 57.97 60.80 1x67 h PHE 114 Cb 0.87 0.10 -0.19 0.00 2.79 0.00 0.00 35.95 39.52 1x67 h PHE 114 CO 0.06 -0.14 1.66 1.28 -2.23 0.00 0.00 178.31 178.95 1x67 n LEU 115 N -5.21 6.99 -4.57 0.59 4.77 -0.56 -5.01 117.00 114.01 1x67 n LEU 115 Ca -0.06 -4.94 -0.29 0.00 -0.03 0.00 0.00 56.01 50.68 1x67 n LEU 115 Cb 0.14 -1.36 0.23 0.00 -2.33 0.00 0.00 43.42 40.10 1x67 n LEU 115 CO 0.29 1.69 0.59 -0.54 -1.33 0.00 0.00 177.39 178.10 1x67 s LYS 116 N -1.37 -0.96 0.00 3.23 -0.14 -1.19 -4.02 119.74 115.28 1x67 s LYS 116 Ca 0.40 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.22 1x67 s LYS 116 Cb 0.11 -1.60 0.00 0.00 -1.68 0.00 0.00 37.83 34.66 1x67 s LYS 116 CO -0.00 -3.59 0.00 0.41 -0.76 0.00 0.00 175.35 171.41 1x67 n GLY 117 N -0.54 2.96 3.51 -3.33 0.00 -1.26 -4.98 105.19 101.55 1x67 n GLY 117 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.15 0.76 0.18 4.61 0.00 -1.26 -4.18 120.51 119.48 1x67 n ALA 118 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.01 1x67 n ALA 118 Cb 0.00 -2.75 0.31 0.00 0.00 0.00 0.00 19.45 17.02 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 15.30 0.00 -3.24 0.00 3.86 -0.90 -3.44 115.15 126.72 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 29.49 1x67 h HIS 119 CO 1.00 0.39 -0.51 0.08 0.86 0.00 0.00 177.93 179.74 1x67 s VAL 120 N -3.57 -0.01 -0.10 2.45 1.01 -1.24 -5.09 120.40 113.85 1x67 s VAL 120 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1x67 s VAL 120 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1x67 s VAL 120 CO 0.69 0.02 -0.07 -0.89 0.00 0.00 0.00 175.10 174.85 1x67 s THR 121 N 0.42 3.67 -0.04 3.92 2.01 -1.26 -2.27 115.64 122.10 1x67 s THR 121 Ca -0.03 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1x67 s THR 121 Cb -0.04 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1x67 s THR 121 CO -0.02 0.56 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.77 1x67 s ILE 122 N -0.36 0.69 -0.82 1.82 1.01 -0.52 -5.01 121.20 118.01 1x67 s ILE 122 Ca 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 1x67 s ILE 122 Cb -0.12 -0.66 0.21 0.00 0.01 0.00 0.00 42.46 41.89 1x67 s ILE 122 CO 0.02 0.24 0.70 0.54 0.00 0.00 0.00 174.94 176.44 1x67 s ASN 123 N 0.57 5.95 0.51 3.58 2.20 -1.26 -1.55 114.94 124.94 1x67 s ASN 123 Ca -0.09 -3.32 -0.00 0.00 -0.94 0.00 0.00 52.86 48.51 1x67 s ASN 123 Cb -0.12 -1.95 0.05 0.00 -2.00 0.00 0.00 41.25 37.23 1x67 s ASN 123 CO 0.01 -0.29 0.37 0.00 -2.94 0.00 0.00 177.10 174.24 1x67 n ALA 124 N 2.91 0.08 0.00 3.54 0.00 -1.26 -4.98 120.51 120.80 1x67 n ALA 124 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1x67 n ALA 124 Cb 0.39 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.67 0.00 -3.59 0.00 1.74 -1.26 -3.03 116.66 108.84 1x67 n ARG 125 Ca 0.06 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.94 1x67 n ARG 125 Cb 0.22 -0.17 -0.01 0.00 -1.02 0.00 0.00 32.46 31.47 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 -1.22 4.11 0.36 7.54 0.00 -1.26 -4.00 121.76 127.29 1x67 s ALA 126 Ca 0.00 -1.50 0.24 0.00 0.00 0.00 0.00 51.96 50.70 1x67 s ALA 126 Cb 0.00 -1.54 1.24 0.00 0.00 0.00 0.00 23.12 22.82 1x67 s ALA 126 CO 0.00 -0.01 1.99 0.93 0.00 0.00 0.00 175.76 178.67 1x67 h GLU 127 N 1.01 0.00 0.00 0.00 5.08 -1.96 -2.06 114.58 116.64 1x67 h GLU 127 Ca -0.46 0.00 -0.06 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 30.50 1x67 h GLU 127 CO 0.55 0.18 -0.29 1.05 -1.00 0.00 0.00 179.01 179.50 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.94 114.58 115.23 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 0.46 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 1x67 h GLU 128 CO 0.02 0.29 0.26 -0.25 0.07 0.00 0.00 179.01 179.40 1x67 n ASP 129 N -3.35 4.15 -0.89 3.06 8.00 -0.78 -3.97 116.55 122.78 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 0.71 0.00 0.00 54.79 52.50 1x67 n ASP 129 Cb 0.51 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.16 0.00 -1.67 2.53 0.24 -1.11 -4.64 118.33 113.52 1x67 n VAL 130 Ca 0.35 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 62.09 1x67 n VAL 130 Cb 1.21 0.50 0.06 0.00 -1.47 0.00 0.00 33.84 34.14 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 2.72 0.17 7.34 8.01 -1.23 -4.83 118.70 130.88 1x67 s GLU 131 Ca 0.09 0.72 -0.23 0.00 0.01 0.00 0.00 54.97 55.56 1x67 s GLU 131 Cb 0.10 -1.98 0.07 0.00 -4.31 0.00 0.00 34.13 28.00 1x67 s GLU 131 CO -0.04 -1.19 1.60 -1.35 0.01 0.00 0.00 175.26 174.28 1x67 h PRO 132 N -0.78 -0.23 -0.59 0.39 0.11 -1.94 -0.30 132.00 128.66 1x67 h PRO 132 Ca -0.45 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1x67 h PRO 132 Cb 1.24 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1x67 h PRO 132 CO 0.60 -0.15 0.04 1.05 -0.21 0.00 0.00 178.00 179.32 1x67 h GLU 133 N -0.24 1.02 -0.10 1.05 4.11 -1.97 0.22 114.58 118.66 1x67 h GLU 133 Ca 0.18 -0.31 0.03 0.00 0.07 0.00 0.00 59.36 59.34 1x67 h GLU 133 Cb 0.54 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1x67 h GLU 133 CO -0.56 0.99 0.11 0.00 0.07 0.00 0.00 179.01 179.62 1x67 n ILE 135 N -3.95 1.61 0.25 0.00 5.41 -0.23 -4.24 119.36 118.21 1x67 n ILE 135 Ca -0.00 -0.52 0.11 0.00 1.00 0.00 0.00 62.75 63.34 1x67 n ILE 135 Cb 0.21 -1.67 0.68 0.00 -0.71 0.00 0.00 39.64 38.15 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 -0.22 0.00 0.00 0.38 2.86 -0.23 -1.63 114.93 116.09 1x67 h MET 136 Ca -0.51 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.08 1x67 h MET 136 Cb 1.85 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.50 1x67 h MET 136 CO -0.08 0.13 -0.22 0.93 1.06 0.00 0.00 176.91 178.74 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 5.08 -0.84 -2.81 114.58 117.73 1x67 h GLU 137 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1x67 h GLU 137 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1x67 h GLU 137 CO 0.02 0.22 -1.89 1.63 -1.00 0.00 0.00 179.01 177.99 1x67 n LYS 138 N -3.76 0.65 -0.02 2.33 5.02 -0.69 -4.19 118.16 117.50 1x67 n LYS 138 Ca -0.01 0.11 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1x67 n LYS 138 Cb 0.32 -1.67 0.36 0.00 -0.02 0.00 0.00 35.03 34.02 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 1.15 -0.11 -0.18 2.07 -1.09 -2.02 116.25 116.08 1x67 h VAL 139 Ca -0.31 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 1x67 h VAL 139 Cb 1.85 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1x67 h VAL 139 CO 0.04 0.18 -0.45 0.00 0.02 0.00 0.00 177.57 177.36 1x67 h ALA 140 N 1.62 1.04 -1.74 1.67 0.00 -1.69 -3.42 119.26 116.75 1x67 h ALA 140 Ca 0.14 -0.44 -0.52 0.00 0.00 0.00 0.00 54.91 54.10 1x67 h ALA 140 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x67 h ALA 140 CO -0.02 0.62 1.54 0.45 0.00 0.00 0.00 179.25 181.85 1x67 s SER 141 N -6.88 4.93 0.44 0.00 0.15 -0.76 -4.95 113.70 106.63 1x67 s SER 141 Ca -0.05 1.32 0.08 0.00 0.70 0.00 0.00 55.95 58.00 1x67 s SER 141 Cb 0.13 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x67 s SER 141 CO 0.78 -2.46 0.44 -0.83 1.20 0.00 0.00 173.24 172.37 1x67 s GLY 142 N 10.20 2.10 1.05 9.45 0.00 -1.26 -5.03 107.32 123.82 1x67 s GLY 142 Ca 0.95 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 43.68 1x67 s GLY 142 CO 0.29 -1.69 1.00 -1.55 0.00 0.00 0.00 173.10 171.16 1x67 n PRO 143 N -1.67 -2.59 0.00 2.90 -0.04 -1.26 -5.05 135.00 127.30 1x67 n PRO 143 Ca 0.05 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1x67 n PRO 143 Cb 0.62 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1x67 n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x67 n SER 144 N -4.50 0.41 -0.21 3.54 2.88 -1.26 -4.85 113.62 109.63 1x67 n SER 144 Ca 0.14 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.63 1x67 n SER 144 Cb 0.52 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 1x67 n SER 144 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x67 h SER 145 N 0.00 0.62 -0.01 -3.46 0.87 -2.08 -3.58 113.55 105.90 1x67 h SER 145 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x67 h SER 145 Cb 0.35 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1x67 h SER 145 CO 0.00 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.35