#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 6.42 0.11 1.61 0.01 -1.26 -4.74 113.70 115.85 1x67 s SER 2 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1x67 s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x67 s SER 2 CO 0.00 -1.49 0.00 -1.54 0.41 0.00 0.00 173.24 170.62 1x67 n SER 3 N 8.55 0.43 0.00 2.44 3.41 -1.26 -5.04 113.62 122.16 1x67 n SER 3 Ca 0.10 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1x67 n SER 3 Cb 0.49 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x67 n GLY 4 N 2.68 1.43 0.18 5.00 0.00 -1.26 -5.06 105.19 108.16 1x67 n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x67 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x67 n SER 5 N 0.00 0.00 0.04 1.61 3.41 -1.26 -5.03 113.62 112.38 1x67 n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1x67 n SER 5 Cb 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1x67 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x67 n SER 6 N -1.23 -0.35 0.00 4.04 7.64 -1.26 -5.08 113.62 117.37 1x67 n SER 6 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x67 n SER 6 Cb 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.40 0.00 2.00 0.23 0.00 -1.26 -5.07 105.19 101.49 1x67 n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x67 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x67 n MET 8 N 0.00 -4.07 -3.62 1.61 1.56 -1.26 -5.10 117.12 106.24 1x67 n MET 8 Ca 0.00 3.06 -0.04 0.00 -0.27 0.00 0.00 57.70 60.45 1x67 n MET 8 Cb 0.00 -3.71 -0.01 0.00 2.15 0.00 0.00 33.22 31.64 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1x67 s ALA 9 N -0.46 -1.93 0.58 -5.12 0.00 -1.26 -4.87 121.76 108.70 1x67 s ALA 9 Ca 0.00 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 1x67 s ALA 9 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1x67 s ALA 9 CO 0.00 -0.85 1.32 0.00 0.00 0.00 0.00 175.76 176.23 1x67 n ALA 10 N -0.33 1.40 -0.07 0.00 0.00 -1.26 -4.81 120.51 115.44 1x67 n ALA 10 Ca -0.06 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1x67 n ALA 10 Cb 0.61 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 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 -1.23 1.79 -2.06 0.00 5.15 -1.26 -4.99 115.26 112.66 1x67 n ASN 11 Ca 0.12 0.30 -0.18 0.00 -0.60 0.00 0.00 54.58 54.22 1x67 n ASN 11 Cb 0.46 -0.67 -0.04 0.00 -0.53 0.00 0.00 39.78 39.00 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 -4.29 -1.52 -0.11 1.20 4.32 -1.26 -4.85 117.00 110.49 1x67 n LEU 12 Ca -0.12 0.21 -0.21 0.00 -0.02 0.00 0.00 56.01 55.87 1x67 n LEU 12 Cb 0.43 -2.60 -0.08 0.00 -1.62 0.00 0.00 43.42 39.54 1x67 n LEU 12 CO 0.17 -0.48 -0.92 -1.20 -1.22 0.00 0.00 177.39 173.74 1x67 n SER 13 N -1.58 1.91 -0.16 -1.43 7.64 -1.26 -3.53 113.62 115.21 1x67 n SER 13 Ca -0.20 0.40 -0.02 0.00 1.01 0.00 0.00 58.87 60.06 1x67 n SER 13 Cb 0.63 -0.86 0.06 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 -1.16 1.43 3.08 -1.93 -1.62 114.38 113.32 1x67 h ARG 14 Ca -0.41 -0.01 -0.67 0.00 0.07 0.00 0.00 59.98 58.96 1x67 h ARG 14 Cb 1.30 -0.03 -0.31 0.00 0.08 0.00 0.00 29.97 31.00 1x67 h ARG 14 CO -0.25 0.10 0.60 0.09 -1.07 0.00 0.00 179.97 179.44 1x67 n ASN 15 N -5.19 7.16 0.00 7.04 3.02 -1.26 -4.81 115.26 121.21 1x67 n ASN 15 Ca 0.06 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1x67 n ASN 15 Cb 0.26 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 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 -0.80 -2.87 0.35 7.41 0.00 -0.61 -0.69 105.19 107.97 1x67 n GLY 16 Ca 0.58 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.96 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 0.77 0.80 1.61 0.11 -1.87 -1.19 132.00 132.23 1x67 h PRO 17 Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1x67 h PRO 17 Cb 0.00 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 1x67 h PRO 17 CO 0.00 0.51 -0.49 0.00 -0.21 0.00 0.00 178.00 177.81 1x67 h ALA 18 N 1.62 -1.28 0.09 -0.75 0.00 -1.88 0.19 119.26 117.24 1x67 h ALA 18 Ca 0.55 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1x67 h ALA 18 Cb 0.79 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1x67 h ALA 18 CO -0.36 -1.23 -0.27 -0.07 0.00 0.00 0.00 179.25 177.32 1x67 h LEU 19 N -1.21 -0.78 -0.88 0.00 3.38 -0.51 -1.99 115.31 113.32 1x67 h LEU 19 Ca -0.11 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1x67 h LEU 19 Cb 0.97 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 1x67 h LEU 19 CO 0.11 -0.36 0.49 -0.61 0.09 0.00 0.00 178.44 178.17 1x67 h GLN 20 N -0.47 0.71 -0.02 1.13 4.15 -1.20 -1.84 115.11 117.57 1x67 h GLN 20 Ca 0.04 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1x67 h GLN 20 Cb 0.51 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1x67 h GLN 20 CO -0.17 0.47 -0.22 1.49 -1.93 0.00 0.00 178.83 178.47 1x67 h GLU 21 N 0.74 -0.33 0.00 1.69 4.81 0.10 0.28 114.58 121.86 1x67 h GLU 21 Ca 0.46 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.71 1x67 h GLU 21 Cb 0.58 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1x67 h GLU 21 CO -0.32 -0.22 -0.03 0.00 -0.73 0.00 0.00 179.01 177.71 1x67 h ALA 22 N 0.55 1.47 0.00 2.92 0.00 -0.83 -0.82 119.26 122.55 1x67 h ALA 22 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1x67 h ALA 22 Cb 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1x67 h ALA 22 CO -0.22 0.03 -0.88 -0.92 0.00 0.00 0.00 179.25 177.27 1x67 h TYR 23 N 0.00 0.00 0.01 0.00 3.20 -0.31 -3.08 116.97 116.79 1x67 h TYR 23 Ca -0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 1x67 h TYR 23 Cb 0.07 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1x67 h TYR 23 CO 0.00 0.60 -0.91 0.28 -1.64 0.00 0.00 178.16 176.49 1x67 h VAL 24 N 0.00 1.63 -0.01 1.81 2.07 0.88 -3.15 116.25 119.49 1x67 h VAL 24 Ca -0.06 -3.05 -0.05 0.00 0.82 0.00 0.00 66.70 64.35 1x67 h VAL 24 Cb 1.51 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1x67 h VAL 24 CO 0.07 0.87 -0.19 0.03 0.02 0.00 0.00 177.57 178.37 1x67 h ARG 25 N 0.01 0.15 -0.29 1.57 3.08 -1.46 -0.79 114.38 116.65 1x67 h ARG 25 Ca -0.02 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 59.97 1x67 h ARG 25 Cb 1.60 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.68 1x67 h ARG 25 CO 0.12 0.87 0.22 0.28 -1.07 0.00 0.00 179.97 180.40 1x67 h VAL 26 N -0.52 0.75 0.00 2.04 2.07 -1.64 -0.30 116.25 118.65 1x67 h VAL 26 Ca -0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1x67 h VAL 26 Cb 0.93 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1x67 h VAL 26 CO 0.04 0.00 -1.37 1.33 0.02 0.00 0.00 177.57 177.59 1x67 n VAL 27 N -4.29 0.86 -3.39 2.57 0.24 -1.19 -4.71 118.33 108.43 1x67 n VAL 27 Ca 0.04 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 1x67 n VAL 27 Cb 0.38 -0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 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 -3.13 5.16 0.17 3.34 2.01 -0.12 -4.93 115.64 118.13 1x67 s THR 28 Ca -0.03 -0.16 0.35 0.00 0.31 0.00 0.00 61.69 62.16 1x67 s THR 28 Cb 0.09 -3.89 0.40 0.00 0.01 0.00 0.00 72.50 69.11 1x67 s THR 28 CO 0.81 -0.21 2.03 1.05 -0.69 0.00 0.00 174.62 177.61 1x67 h GLU 29 N 8.56 0.00 -0.14 4.92 4.11 -1.87 -3.18 114.58 126.98 1x67 h GLU 29 Ca -0.29 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.19 1x67 h GLU 29 Cb 1.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1x67 h GLU 29 CO 0.73 0.00 -0.30 -0.22 0.07 0.00 0.00 179.01 179.28 1x67 h LYS 30 N 0.00 -0.36 -7.04 1.06 1.63 -1.91 -3.42 116.57 106.52 1x67 h LYS 30 Ca -0.00 0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.34 1x67 h LYS 30 Cb 0.46 0.08 0.05 0.00 -0.60 0.00 0.00 32.23 32.21 1x67 h LYS 30 CO 0.00 -0.24 0.16 -1.12 -3.45 0.00 0.00 179.45 174.80 1x67 s SER 31 N -4.94 5.94 -0.76 4.20 0.01 -1.20 -5.01 113.70 111.93 1x67 s SER 31 Ca -0.15 0.85 -0.25 0.00 1.31 0.00 0.00 55.95 57.70 1x67 s SER 31 Cb 0.11 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.38 1x67 s SER 31 CO 0.66 -0.83 1.24 -2.16 0.41 0.00 0.00 173.24 172.56 1x67 s PRO 32 N -4.88 3.23 -0.30 12.44 0.04 -1.26 -4.93 135.00 139.34 1x67 s PRO 32 Ca 0.51 -0.49 -0.05 0.00 0.04 0.00 0.00 61.00 61.01 1x67 s PRO 32 Cb -0.10 -4.34 0.17 0.00 0.04 0.00 0.00 34.50 30.27 1x67 s PRO 32 CO 0.45 -2.08 0.66 0.99 0.04 0.00 0.00 177.00 177.06 1x67 s THR 33 N 5.26 -0.94 -0.10 1.26 2.01 -1.26 -4.33 115.64 117.54 1x67 s THR 33 Ca 0.34 0.00 0.14 0.00 0.31 0.00 0.00 61.69 62.48 1x67 s THR 33 Cb -0.09 -1.00 -0.21 0.00 0.01 0.00 0.00 72.50 71.22 1x67 s THR 33 CO 0.11 0.00 0.16 -0.67 -0.69 0.00 0.00 174.62 173.53 1x67 n ASP 34 N 5.42 1.37 -3.53 3.53 -0.08 -0.24 -4.41 116.55 118.61 1x67 n ASP 34 Ca -0.05 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.05 1x67 n ASP 34 Cb 0.51 1.18 -0.08 0.00 2.34 0.00 0.00 41.12 45.06 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 -2.63 1.66 -0.30 -0.67 1.48 -1.02 -1.46 118.94 115.99 1x67 s TRP 35 Ca -0.07 -1.60 -0.14 0.00 -1.06 0.00 0.00 56.10 53.23 1x67 s TRP 35 Cb 0.07 -0.71 0.17 0.00 -1.16 0.00 0.00 33.47 31.83 1x67 s TRP 35 CO 0.62 -0.81 0.96 0.00 -4.06 0.00 0.00 176.95 173.66 1x67 s ALA 36 N -3.56 -2.74 -0.04 2.67 0.00 -0.91 -3.83 121.76 113.35 1x67 s ALA 36 Ca 0.40 1.98 -0.03 0.00 0.00 0.00 0.00 51.96 54.31 1x67 s ALA 36 Cb 0.03 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1x67 s ALA 36 CO 0.24 -1.03 0.15 -1.17 0.00 0.00 0.00 175.76 173.95 1x67 s LEU 37 N 2.56 4.26 -0.10 0.00 2.96 0.60 -1.50 118.68 127.45 1x67 s LEU 37 Ca -0.01 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.21 1x67 s LEU 37 Cb -0.07 -2.39 0.04 0.00 0.50 0.00 0.00 46.19 44.27 1x67 s LEU 37 CO -0.17 0.31 0.03 -0.36 -1.32 0.00 0.00 176.35 174.83 1x67 s PHE 38 N -1.21 0.60 0.31 5.38 0.08 -0.70 -1.04 117.98 121.40 1x67 s PHE 38 Ca 0.23 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.08 1x67 s PHE 38 Cb -0.12 -0.79 -0.06 0.00 -0.57 0.00 0.00 43.02 41.47 1x67 s PHE 38 CO 0.14 -0.39 -0.02 -0.08 -0.10 0.00 0.00 175.22 174.77 1x67 s THR 39 N 2.00 1.63 0.94 0.64 -1.32 0.40 -2.05 115.64 117.88 1x67 s THR 39 Ca 0.03 -2.08 -0.11 0.00 -1.21 0.00 0.00 61.69 58.32 1x67 s THR 39 Cb -0.14 -2.63 0.16 0.00 -1.51 0.00 0.00 72.50 68.38 1x67 s THR 39 CO -0.06 -0.17 1.09 -0.31 -2.21 0.00 0.00 174.62 172.96 1x67 s TYR 40 N -3.01 2.02 0.00 9.09 1.51 -1.26 -0.12 117.35 125.58 1x67 s TYR 40 Ca 0.32 1.35 0.00 0.00 -1.01 0.00 0.00 57.07 57.73 1x67 s TYR 40 Cb 0.06 -3.18 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 1x67 s TYR 40 CO 0.14 -2.72 0.00 0.39 -1.11 0.00 0.00 175.55 172.25 1x67 n GLU 41 N -4.12 0.00 0.00 -0.62 1.02 -0.97 -4.74 120.64 111.20 1x67 n GLU 41 Ca 0.07 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1x67 n GLU 41 Cb 0.54 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 1x67 n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x67 n GLY 42 N 2.16 0.86 0.57 0.62 0.00 -1.26 -5.00 105.19 103.13 1x67 n GLY 42 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1x67 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x67 n ASN 43 N 0.00 1.64 -4.32 1.61 4.13 -1.26 -5.05 115.26 112.01 1x67 n ASN 43 Ca 0.00 -3.24 -0.22 0.00 1.68 0.00 0.00 54.58 52.80 1x67 n ASN 43 Cb 0.00 -0.44 -0.10 0.00 -1.54 0.00 0.00 39.78 37.70 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1x67 s SER 44 N -2.77 2.38 -0.45 6.41 1.04 -1.26 -5.09 113.70 113.97 1x67 s SER 44 Ca 0.32 -1.49 -0.28 0.00 0.48 0.00 0.00 55.95 54.98 1x67 s SER 44 Cb 0.32 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1x67 s SER 44 CO -0.05 -0.75 1.51 0.20 0.98 0.00 0.00 173.24 175.13 1x67 s ASN 45 N -3.51 6.14 -0.30 7.02 0.01 -1.26 -4.63 114.94 118.40 1x67 s ASN 45 Ca 0.32 0.75 -0.16 0.00 -0.71 0.00 0.00 52.86 53.06 1x67 s ASN 45 Cb 0.06 -2.54 0.18 0.00 0.41 0.00 0.00 41.25 39.37 1x67 s ASN 45 CO 0.15 -1.61 1.17 -0.62 -1.51 0.00 0.00 177.10 174.68 1x67 s ASP 46 N 4.70 -0.07 0.16 -1.22 -1.08 -1.26 -4.22 116.67 113.69 1x67 s ASP 46 Ca 0.63 0.00 -0.30 0.00 -0.52 0.00 0.00 52.55 52.36 1x67 s ASP 46 Cb -0.14 0.94 -0.07 0.00 -1.46 0.00 0.00 42.92 42.18 1x67 s ASP 46 CO 0.30 -0.01 0.99 -0.63 0.52 0.00 0.00 175.17 176.34 1x67 s ILE 47 N 2.88 4.21 0.25 4.11 -1.09 -1.26 -2.30 121.20 128.00 1x67 s ILE 47 Ca 0.31 1.95 0.01 0.00 -2.23 0.00 0.00 60.65 60.69 1x67 s ILE 47 Cb 0.01 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1x67 s ILE 47 CO -0.22 0.35 0.22 0.00 -1.23 0.00 0.00 174.94 174.07 1x67 s ARG 48 N -0.43 1.45 0.39 2.79 1.70 0.82 -4.48 118.95 121.19 1x67 s ARG 48 Ca 0.46 -1.74 -0.26 0.00 -0.47 0.00 0.00 55.73 53.72 1x67 s ARG 48 Cb -0.26 0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 34.35 1x67 s ARG 48 CO 0.32 -0.51 1.19 0.08 -1.08 0.00 0.00 175.30 175.30 1x67 s VAL 49 N -3.85 3.07 0.00 4.99 1.01 -1.26 -0.46 120.40 123.90 1x67 s VAL 49 Ca 0.38 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1x67 s VAL 49 Cb 0.05 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1x67 s VAL 49 CO 0.17 0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.38 1x67 n ALA 50 N 0.20 1.92 -3.62 5.51 0.00 -0.21 -4.65 120.51 119.67 1x67 n ALA 50 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 1x67 n ALA 50 Cb 0.46 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.17 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 -3.31 -0.07 -0.16 0.00 0.00 -1.19 -4.97 107.32 97.63 1x67 s GLY 51 Ca 0.00 2.61 -0.14 0.00 0.00 0.00 0.00 44.72 47.19 1x67 s GLY 51 CO 0.00 1.43 0.42 -0.51 0.00 0.00 0.00 173.10 174.44 1x67 s THR 52 N -0.52 -0.00 0.01 0.90 -4.23 -1.26 -0.29 115.64 110.25 1x67 s THR 52 Ca 0.03 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 1x67 s THR 52 Cb -0.03 -0.59 0.10 0.00 1.34 0.00 0.00 72.50 73.33 1x67 s THR 52 CO -0.05 0.00 1.24 -0.83 -0.54 0.00 0.00 174.62 174.45 1x67 s GLY 53 N 0.34 -0.24 -0.34 3.99 0.00 -1.25 -5.02 107.32 104.80 1x67 s GLY 53 Ca -0.01 0.30 0.09 0.00 0.00 0.00 0.00 44.72 45.10 1x67 s GLY 53 CO -0.01 2.47 1.76 -2.21 0.00 0.00 0.00 173.10 175.12 1x67 n GLU 54 N -0.67 3.00 0.27 2.90 2.13 -1.26 -1.08 120.64 125.92 1x67 n GLU 54 Ca -0.03 -3.07 0.17 0.00 0.66 0.00 0.00 57.16 54.89 1x67 n GLU 54 Cb 0.61 -2.12 0.68 0.00 0.27 0.00 0.00 31.44 30.88 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 1.92 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.90 1x67 h GLY 55 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1x67 h GLY 55 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1x67 n GLY 56 N 0.00 0.89 0.09 4.60 0.00 -1.26 -4.19 105.19 105.32 1x67 n GLY 56 Ca 0.01 -1.64 -0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.84 -0.08 0.99 4.77 -1.26 -3.27 117.00 118.99 1x67 n LEU 57 Ca 0.00 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 1x67 n LEU 57 Cb 0.00 0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1x67 n LEU 57 CO 0.00 0.16 0.68 -0.33 -1.33 0.00 0.00 177.39 176.57 1x67 h GLU 58 N 0.00 0.77 0.05 3.23 5.08 -1.96 -2.23 114.58 119.52 1x67 h GLU 58 Ca -0.17 -0.32 -0.23 0.00 -1.00 0.00 0.00 59.36 57.63 1x67 h GLU 58 Cb 1.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1x67 h GLU 58 CO 0.05 0.94 -1.06 1.49 -1.00 0.00 0.00 179.01 179.43 1x67 h GLU 59 N 0.66 0.15 0.02 2.33 4.57 -1.73 -2.99 114.58 117.59 1x67 h GLU 59 Ca 0.09 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1x67 h GLU 59 Cb 0.77 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1x67 h GLU 59 CO 0.06 1.07 -0.01 1.98 -1.18 0.00 0.00 179.01 180.93 1x67 h MET 60 N 0.05 -0.03 0.00 1.92 4.05 -1.52 -2.78 114.93 116.62 1x67 h MET 60 Ca -0.06 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1x67 h MET 60 Cb 1.78 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.58 1x67 h MET 60 CO 0.16 0.18 -0.20 -0.39 0.23 0.00 0.00 176.91 176.89 1x67 h VAL 61 N -0.24 0.94 0.00 -5.77 -1.51 -1.51 -2.05 116.25 106.11 1x67 h VAL 61 Ca -0.00 -0.74 -0.05 0.00 -1.23 0.00 0.00 66.70 64.68 1x67 h VAL 61 Cb 0.23 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1x67 h VAL 61 CO 0.01 0.20 -0.22 -0.33 -1.23 0.00 0.00 177.57 175.99 1x67 h GLU 62 N 0.00 0.00 0.00 5.19 4.39 -1.34 -2.45 114.58 120.37 1x67 h GLU 62 Ca -0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1x67 h GLU 62 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1x67 h GLU 62 CO 0.03 0.22 -1.10 0.93 -1.16 0.00 0.00 179.01 177.93 1x67 h GLU 63 N 0.00 0.00 -6.33 2.33 4.39 -1.19 -3.46 114.58 110.32 1x67 h GLU 63 Ca -0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1x67 h GLU 63 Cb 0.46 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1x67 h GLU 63 CO 0.03 0.54 1.06 1.28 -1.16 0.00 0.00 179.01 180.76 1x67 n LEU 64 N -3.12 3.48 -4.46 1.33 4.77 -0.93 -4.95 117.00 113.12 1x67 n LEU 64 Ca -0.05 0.99 -0.38 0.00 -0.03 0.00 0.00 56.01 56.54 1x67 n LEU 64 Cb 0.86 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.43 1x67 n LEU 64 CO 0.43 -0.06 -0.23 0.21 -1.33 0.00 0.00 177.39 176.42 1x67 s ASN 65 N 3.48 5.48 -0.71 -1.43 3.84 -1.26 -5.02 114.94 119.30 1x67 s ASN 65 Ca 0.89 -0.34 -0.26 0.00 0.21 0.00 0.00 52.86 53.37 1x67 s ASN 65 Cb -0.66 -1.99 -0.02 0.00 -0.55 0.00 0.00 41.25 38.03 1x67 s ASN 65 CO 0.48 -0.12 1.82 -0.94 -2.79 0.00 0.00 177.10 175.55 1x67 s SER 66 N 1.64 5.36 0.00 -4.21 1.04 -1.26 -2.88 113.70 113.38 1x67 s SER 66 Ca 0.06 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.42 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 0.06 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.49 1x67 n GLY 67 N 6.02 0.32 3.20 7.32 0.00 -1.26 -4.65 105.19 116.13 1x67 n GLY 67 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 1.03 -0.11 1.61 1.02 -1.14 -4.11 119.74 118.04 1x67 s LYS 68 Ca 0.00 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 1x67 s LYS 68 Cb 0.00 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.19 1x67 s LYS 68 CO 0.00 0.27 1.03 0.08 -0.92 0.00 0.00 175.35 175.80 1x67 s VAL 69 N -1.01 4.73 0.21 3.17 1.01 -1.26 -3.86 120.40 123.39 1x67 s VAL 69 Ca 0.03 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 64.01 1x67 s VAL 69 Cb -0.09 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1x67 s VAL 69 CO 0.02 -0.01 0.14 -0.04 0.00 0.00 0.00 175.10 175.21 1x67 s MET 70 N 2.09 1.26 -0.10 2.72 -1.94 -0.92 -4.58 119.30 117.83 1x67 s MET 70 Ca 0.49 -1.67 0.03 0.00 -1.71 0.00 0.00 55.69 52.83 1x67 s MET 70 Cb -0.19 0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.88 1x67 s MET 70 CO 0.18 -0.40 -0.18 0.71 -0.01 0.00 0.00 175.02 175.33 1x67 s TYR 71 N -4.08 2.05 -0.16 -0.03 1.51 -0.87 -1.83 117.35 113.95 1x67 s TYR 71 Ca 0.39 -0.88 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1x67 s TYR 71 Cb 0.07 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1x67 s TYR 71 CO 0.13 -0.41 -0.05 0.00 -1.11 0.00 0.00 175.55 174.11 1x67 s ALA 72 N 0.69 2.95 -0.38 3.71 0.00 -0.94 -1.72 121.76 126.07 1x67 s ALA 72 Ca -0.13 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1x67 s ALA 72 Cb -0.16 -1.54 0.11 0.00 0.00 0.00 0.00 23.12 21.53 1x67 s ALA 72 CO 0.03 0.16 0.12 0.12 0.00 0.00 0.00 175.76 176.20 1x67 s PHE 73 N 0.45 2.94 0.26 0.00 5.36 -0.56 -2.27 117.98 124.17 1x67 s PHE 73 Ca -0.04 -2.67 0.06 0.00 -0.96 0.00 0.00 56.93 53.33 1x67 s PHE 73 Cb -0.14 -2.49 -0.03 0.00 -0.34 0.00 0.00 43.02 40.02 1x67 s PHE 73 CO 0.03 -0.87 0.28 0.00 -1.46 0.00 0.00 175.22 173.20 1x67 s ARG 75 N -3.93 0.54 0.40 0.00 3.52 -0.54 -2.12 118.95 116.83 1x67 s ARG 75 Ca 0.35 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1x67 s ARG 75 Cb -0.08 -2.02 -0.05 0.00 -1.56 0.00 0.00 34.95 31.24 1x67 s ARG 75 CO 0.27 -0.63 0.06 0.14 -0.81 0.00 0.00 175.30 174.32 1x67 s VAL 76 N 1.91 1.18 -0.07 7.11 -7.23 -1.09 -4.93 120.40 117.28 1x67 s VAL 76 Ca -0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1x67 s VAL 76 Cb -0.17 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1x67 s VAL 76 CO -0.08 0.00 0.02 -1.59 -0.31 0.00 0.00 175.10 173.14 1x67 s LYS 77 N -3.81 3.00 0.83 4.82 -2.85 -1.26 -0.16 119.74 120.30 1x67 s LYS 77 Ca 0.27 -0.42 -0.11 0.00 -1.00 0.00 0.00 55.97 54.72 1x67 s LYS 77 Cb 0.06 -2.81 0.09 0.00 -2.06 0.00 0.00 37.83 33.11 1x67 s LYS 77 CO 0.13 0.70 1.09 -0.51 0.10 0.00 0.00 175.35 176.86 1x67 s ASP 78 N -1.03 4.03 -0.05 0.03 1.11 -0.95 -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 -0.23 0.00 1.07 0.00 0.00 42.92 41.31 1x67 s ASP 78 CO 0.04 -2.31 1.06 1.55 1.18 0.00 0.00 175.17 176.70 1x67 h PRO 79 N -1.32 0.15 0.00 8.23 0.13 -1.93 -2.47 132.00 134.79 1x67 h PRO 79 Ca -0.46 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 64.39 1x67 h PRO 79 Cb 1.26 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1x67 h PRO 79 CO 0.53 0.86 -0.90 -0.91 -0.23 0.00 0.00 178.00 177.35 1x67 h ASN 80 N -0.50 0.00 -0.69 1.44 2.35 -1.95 -3.38 115.58 112.86 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 0.91 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 1x67 h ASN 80 CO 0.04 1.17 0.42 0.77 -1.65 0.00 0.00 177.43 178.17 1x67 h SER 81 N -1.00 0.83 -1.10 5.81 4.64 -1.98 -3.45 113.55 117.30 1x67 h SER 81 Ca -0.20 -0.04 -0.40 0.00 -0.47 0.00 0.00 61.79 60.68 1x67 h SER 81 Cb 0.95 -0.21 -0.15 0.00 -0.31 0.00 0.00 62.40 62.69 1x67 h SER 81 CO -0.12 0.64 -0.38 0.61 -0.87 0.00 0.00 176.83 176.71 1x67 n GLY 82 N -1.32 1.67 3.73 -0.77 0.00 -0.93 -4.91 105.19 102.66 1x67 n GLY 82 Ca 0.07 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.56 3.57 -0.36 0.99 1.43 -1.26 -4.70 118.68 113.79 1x67 s LEU 83 Ca 0.00 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 1x67 s LEU 83 Cb 0.00 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1x67 s LEU 83 CO 0.00 0.11 1.77 -2.16 0.23 0.00 0.00 176.35 176.30 1x67 s PRO 84 N -2.81 3.29 0.12 1.29 0.04 -1.26 -2.24 135.00 133.43 1x67 s PRO 84 Ca 0.28 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1x67 s PRO 84 Cb -0.10 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 1x67 s PRO 84 CO 0.21 -1.92 0.10 0.15 0.04 0.00 0.00 177.00 175.58 1x67 s LYS 85 N 5.73 2.86 -0.18 4.56 -0.14 0.77 -4.97 119.74 128.37 1x67 s LYS 85 Ca 0.77 -0.79 -0.08 0.00 -1.36 0.00 0.00 55.97 54.50 1x67 s LYS 85 Cb -0.21 -2.67 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 1x67 s LYS 85 CO 0.32 0.52 0.10 -0.06 -0.76 0.00 0.00 175.35 175.47 1x67 s PHE 86 N -1.56 3.35 -0.03 3.18 0.08 -1.26 -2.66 117.98 119.07 1x67 s PHE 86 Ca 0.30 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.61 1x67 s PHE 86 Cb -0.11 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1x67 s PHE 86 CO 0.22 0.26 -0.13 0.08 -0.10 0.00 0.00 175.22 175.56 1x67 s VAL 87 N 0.25 3.20 -0.15 -0.44 1.01 -0.90 -0.15 120.40 123.22 1x67 s VAL 87 Ca 0.06 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1x67 s VAL 87 Cb -0.12 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1x67 s VAL 87 CO -0.01 0.52 -0.20 -0.22 0.00 0.00 0.00 175.10 175.19 1x67 s LEU 88 N -0.96 2.04 -0.09 3.92 1.98 -1.00 -3.35 118.68 121.22 1x67 s LEU 88 Ca 0.13 -0.59 0.03 0.00 -2.89 0.00 0.00 54.13 50.81 1x67 s LEU 88 Cb -0.11 -1.40 0.01 0.00 0.66 0.00 0.00 46.19 45.35 1x67 s LEU 88 CO 0.02 0.04 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.70 1x67 s ILE 89 N 1.02 1.76 -1.14 6.68 1.01 -0.96 -1.39 121.20 128.18 1x67 s ILE 89 Ca -0.03 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 1x67 s ILE 89 Cb -0.15 -1.55 0.26 0.00 0.01 0.00 0.00 42.46 41.04 1x67 s ILE 89 CO -0.06 0.49 1.35 0.59 0.00 0.00 0.00 174.94 177.31 1x67 n ASN 90 N 3.69 5.70 -4.70 3.58 3.02 -0.80 -2.21 115.26 123.55 1x67 n ASN 90 Ca -0.20 -3.14 -0.52 0.00 -0.03 0.00 0.00 54.58 50.68 1x67 n ASN 90 Cb 0.52 -1.39 -0.06 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 2.87 2.22 -3.69 3.10 -0.00 -0.76 -4.05 117.44 117.12 1x67 n TRP 91 Ca 0.28 0.22 -0.30 0.00 -0.00 0.00 0.00 57.50 57.70 1x67 n TRP 91 Cb 0.38 -2.58 -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 3.88 1.15 0.33 5.87 2.01 -1.16 -2.17 115.64 125.56 1x67 s THR 92 Ca 0.95 -2.20 -0.27 0.00 0.31 0.00 0.00 61.69 60.47 1x67 s THR 92 Cb -0.85 -1.82 -0.13 0.00 0.01 0.00 0.00 72.50 69.71 1x67 s THR 92 CO 0.58 -0.86 1.11 0.61 -0.69 0.00 0.00 174.62 175.37 1x67 n GLY 93 N 3.89 0.05 0.17 4.40 0.00 -1.25 -4.32 105.19 108.14 1x67 n GLY 93 Ca 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 2.10 0.12 -0.05 1.61 4.11 -1.88 -2.85 114.58 117.73 1x67 h GLU 94 Ca -0.43 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 58.96 1x67 h GLU 94 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1x67 h GLU 94 CO 0.61 0.57 0.14 0.78 0.07 0.00 0.00 179.01 181.18 1x67 h GLY 95 N 1.39 0.00 -4.38 1.06 0.00 -1.85 -3.42 103.07 95.86 1x67 h GLY 95 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.81 1x67 h GLY 95 CO 0.07 0.00 0.66 0.14 0.00 0.00 0.00 176.54 177.40 1x67 s VAL 96 N -4.32 3.40 1.41 4.60 1.01 -1.08 -4.99 120.40 120.44 1x67 s VAL 96 Ca -0.04 1.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.79 1x67 s VAL 96 Cb 0.13 -3.69 0.36 0.00 0.00 0.00 0.00 36.38 33.18 1x67 s VAL 96 CO 0.43 0.12 0.88 -0.46 0.00 0.00 0.00 175.10 176.07 1x67 n ASN 97 N 3.30 -3.65 0.10 3.32 6.94 -1.26 -4.84 115.26 119.18 1x67 n ASN 97 Ca 0.08 -0.71 -0.22 0.00 -0.02 0.00 0.00 54.58 53.71 1x67 n ASN 97 Cb 0.43 -1.05 -0.15 0.00 -2.36 0.00 0.00 39.78 36.65 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 -3.43 0.66 -0.13 0.53 3.32 -1.95 -2.97 116.42 112.45 1x67 h ASP 98 Ca -0.45 -0.83 0.04 0.00 0.02 0.00 0.00 57.03 55.81 1x67 h ASP 98 Cb 1.33 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1x67 h ASP 98 CO 0.30 1.68 0.12 0.58 -1.72 0.00 0.00 179.24 180.19 1x67 h VAL 99 N 0.11 0.62 0.14 -1.35 2.07 -2.00 -2.13 116.25 113.72 1x67 h VAL 99 Ca -0.28 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 66.92 1x67 h VAL 99 Cb 2.11 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1x67 h VAL 99 CO 0.22 0.00 -1.64 -0.09 0.02 0.00 0.00 177.57 176.07 1x67 h ARG 100 N 0.00 0.30 -0.81 1.57 9.65 -1.93 -3.23 114.38 119.93 1x67 h ARG 100 Ca 0.06 -0.51 0.19 0.00 -1.10 0.00 0.00 59.98 58.62 1x67 h ARG 100 Cb 0.30 0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 1x67 h ARG 100 CO -0.00 1.24 0.55 0.87 2.80 0.00 0.00 179.97 185.43 1x67 h LYS 101 N -0.10 0.29 0.00 0.20 1.57 -1.22 0.32 116.57 117.62 1x67 h LYS 101 Ca -0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1x67 h LYS 101 Cb 1.92 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.17 1x67 h LYS 101 CO 0.10 0.19 -0.47 0.78 -0.57 0.00 0.00 179.45 179.48 1x67 h GLY 102 N 0.30 0.00 1.20 3.86 0.00 -1.59 -3.11 103.07 103.72 1x67 h GLY 102 Ca 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.59 1x67 h GLY 102 CO -0.11 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 175.23 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -0.53 -3.34 119.26 121.68 1x67 h ALA 103 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 1x67 h ALA 103 Cb 0.98 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1x67 h ALA 103 CO 0.00 0.80 -0.88 0.00 0.00 0.00 0.00 179.25 179.17 1x67 h ALA 105 N 1.41 2.14 0.00 0.00 0.00 -1.66 0.31 119.26 121.46 1x67 h ALA 105 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1x67 h ALA 105 Cb 1.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1x67 h ALA 105 CO 0.07 -0.24 -0.21 0.77 0.00 0.00 0.00 179.25 179.64 1x67 h SER 106 N 0.20 0.00 0.82 0.00 0.02 -1.75 -2.23 113.55 110.61 1x67 h SER 106 Ca 0.19 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1x67 h SER 106 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1x67 h SER 106 CO -0.03 0.21 -0.83 0.45 -1.14 0.00 0.00 176.83 175.49 1x67 h HIS 107 N 0.00 0.01 -0.87 3.45 3.86 -1.13 -3.22 115.15 117.24 1x67 h HIS 107 Ca -0.00 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.37 1x67 h HIS 107 Cb 0.40 -0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.80 1x67 h HIS 107 CO 0.00 0.83 0.57 0.28 0.86 0.00 0.00 177.93 180.47 1x67 h VAL 108 N 0.00 0.76 -0.69 2.45 2.07 -1.24 0.44 116.25 120.05 1x67 h VAL 108 Ca -0.01 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1x67 h VAL 108 Cb 1.47 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1x67 h VAL 108 CO 0.11 0.10 0.19 -1.28 0.02 0.00 0.00 177.57 176.70 1x67 h SER 109 N 0.53 1.03 -0.04 0.57 0.87 -1.64 0.22 113.55 115.10 1x67 h SER 109 Ca 0.45 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1x67 h SER 109 Cb 0.93 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1x67 h SER 109 CO -0.19 0.99 -0.12 0.74 -0.53 0.00 0.00 176.83 177.72 1x67 h THR 110 N 1.03 1.46 -0.67 2.23 2.02 -1.15 -3.15 112.91 114.69 1x67 h THR 110 Ca 0.22 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.81 1x67 h THR 110 Cb 0.34 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 1x67 h THR 110 CO -0.00 0.42 0.21 0.24 0.37 0.00 0.00 175.52 176.76 1x67 h MET 111 N -0.41 1.02 -0.65 6.66 2.07 -0.98 -2.69 114.93 119.95 1x67 h MET 111 Ca -0.00 -0.20 0.10 0.00 -2.07 0.00 0.00 59.70 57.53 1x67 h MET 111 Cb 0.75 -0.16 -0.08 0.00 -1.87 0.00 0.00 31.60 30.24 1x67 h MET 111 CO 0.03 0.87 0.25 0.00 1.07 0.00 0.00 176.91 179.13 1x67 h ALA 112 N 1.24 0.86 -0.50 6.32 0.00 -0.60 -0.25 119.26 126.34 1x67 h ALA 112 Ca 0.22 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1x67 h ALA 112 Cb 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1x67 h ALA 112 CO -0.01 -0.18 -0.03 0.77 0.00 0.00 0.00 179.25 179.80 1x67 h SER 113 N 0.44 0.89 0.02 0.00 0.02 -1.46 -3.16 113.55 110.29 1x67 h SER 113 Ca 0.33 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1x67 h SER 113 Cb 0.42 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1x67 h SER 113 CO -0.32 1.00 -0.05 0.15 -1.14 0.00 0.00 176.83 176.46 1x67 h PHE 114 N 0.76 -0.13 -1.11 3.45 3.57 -0.99 -3.08 116.94 119.40 1x67 h PHE 114 Ca 0.14 0.00 -0.74 0.00 3.53 0.00 0.00 57.97 60.90 1x67 h PHE 114 Cb 0.56 0.06 -0.12 0.00 2.79 0.00 0.00 35.95 39.24 1x67 h PHE 114 CO 0.04 -0.08 2.46 1.28 -2.23 0.00 0.00 178.31 179.78 1x67 n LEU 115 N -5.16 7.93 -4.59 0.59 4.77 -0.20 -4.98 117.00 115.35 1x67 n LEU 115 Ca -0.06 -4.83 -0.29 0.00 -0.03 0.00 0.00 56.01 50.80 1x67 n LEU 115 Cb 0.09 -1.39 0.22 0.00 -2.33 0.00 0.00 43.42 40.01 1x67 n LEU 115 CO 0.31 1.98 0.59 -0.54 -1.33 0.00 0.00 177.39 178.40 1x67 s LYS 116 N -0.78 -0.48 0.00 3.23 -0.14 -1.17 -3.95 119.74 116.45 1x67 s LYS 116 Ca 0.53 0.41 0.00 0.00 -1.36 0.00 0.00 55.97 55.56 1x67 s LYS 116 Cb 0.17 -1.64 0.00 0.00 -1.68 0.00 0.00 37.83 34.68 1x67 s LYS 116 CO -0.08 -3.32 0.00 0.41 -0.76 0.00 0.00 175.35 171.60 1x67 n GLY 117 N -0.51 3.05 3.50 -3.33 0.00 -1.26 -4.98 105.19 101.66 1x67 n GLY 117 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.24 120.51 119.41 1x67 n ALA 118 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.05 1x67 n ALA 118 Cb 0.00 -2.74 0.52 0.00 0.00 0.00 0.00 19.45 17.23 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 15.23 0.00 -3.40 0.00 3.86 -0.92 -3.44 115.15 126.48 1x67 h HIS 119 Ca -0.20 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.85 1x67 h HIS 119 Cb 1.30 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.53 1x67 h HIS 119 CO 1.00 0.24 -0.49 0.08 0.86 0.00 0.00 177.93 179.62 1x67 s VAL 120 N -3.99 0.04 -0.06 2.45 1.01 -1.24 -5.08 120.40 113.53 1x67 s VAL 120 Ca -0.02 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1x67 s VAL 120 Cb 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1x67 s VAL 120 CO 0.65 -0.20 -0.19 -0.89 0.00 0.00 0.00 175.10 174.47 1x67 s THR 121 N -0.71 2.64 -0.03 3.92 2.01 -1.26 -2.37 115.64 119.84 1x67 s THR 121 Ca -0.08 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1x67 s THR 121 Cb -0.05 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1x67 s THR 121 CO 0.01 0.57 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.86 1x67 s ILE 122 N -0.36 0.32 -0.72 1.82 1.01 -0.49 -5.01 121.20 117.78 1x67 s ILE 122 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 1x67 s ILE 122 Cb -0.12 -0.39 0.19 0.00 0.01 0.00 0.00 42.46 42.15 1x67 s ILE 122 CO 0.02 0.17 0.58 0.20 0.00 0.00 0.00 174.94 175.91 1x67 s ASN 123 N 0.94 5.79 0.58 3.58 -0.87 -1.26 -1.91 114.94 121.80 1x67 s ASN 123 Ca -0.11 -2.88 0.06 0.00 -1.57 0.00 0.00 52.86 48.36 1x67 s ASN 123 Cb -0.14 -1.98 0.10 0.00 -0.02 0.00 0.00 41.25 39.22 1x67 s ASN 123 CO -0.01 -0.42 0.78 0.00 -2.57 0.00 0.00 177.10 174.88 1x67 n ALA 124 N 3.54 0.78 0.00 0.60 0.00 -1.26 -4.98 120.51 119.19 1x67 n ALA 124 Ca 0.11 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.72 1x67 n ALA 124 Cb 0.41 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 -2.32 0.00 -3.40 0.00 1.74 -1.26 -3.00 116.66 108.42 1x67 n ARG 125 Ca 0.15 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.04 1x67 n ARG 125 Cb 0.53 -0.28 -0.00 0.00 -1.02 0.00 0.00 32.46 31.69 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x67 s ALA 126 N -1.25 4.26 0.30 7.54 0.00 -1.26 -4.09 121.76 127.26 1x67 s ALA 126 Ca 0.00 -1.53 0.23 0.00 0.00 0.00 0.00 51.96 50.65 1x67 s ALA 126 Cb 0.00 -1.60 1.08 0.00 0.00 0.00 0.00 23.12 22.60 1x67 s ALA 126 CO 0.00 -0.09 1.92 0.93 0.00 0.00 0.00 175.76 178.52 1x67 h GLU 127 N 0.87 0.00 0.00 0.00 5.08 -1.96 -2.35 114.58 116.22 1x67 h GLU 127 Ca -0.44 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1x67 h GLU 127 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1x67 h GLU 127 CO 0.52 0.22 -0.25 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 -2.90 114.58 116.24 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1x67 h GLU 128 Cb 0.57 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.70 1x67 h GLU 128 CO 0.03 0.25 0.27 -0.25 -1.00 0.00 0.00 179.01 178.30 1x67 n ASP 129 N -3.33 4.14 -0.97 1.42 9.92 -0.88 -3.98 116.55 122.86 1x67 n ASP 129 Ca 0.01 -3.01 -0.01 0.00 -0.53 0.00 0.00 54.79 51.25 1x67 n ASP 129 Cb 0.48 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 40.23 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1x67 n VAL 130 N -0.17 0.00 -1.71 2.53 0.24 -1.10 -4.64 118.33 113.49 1x67 n VAL 130 Ca 0.35 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1x67 n VAL 130 Cb 1.22 0.56 0.05 0.00 -1.47 0.00 0.00 33.84 34.20 1x67 n VAL 130 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x67 s GLU 131 N 0.00 2.81 0.17 7.34 8.01 -1.23 -4.84 118.70 130.96 1x67 s GLU 131 Ca 0.10 0.70 -0.22 0.00 0.01 0.00 0.00 54.97 55.56 1x67 s GLU 131 Cb 0.12 -2.00 0.08 0.00 -4.31 0.00 0.00 34.13 28.03 1x67 s GLU 131 CO -0.05 -1.12 1.60 -1.35 0.01 0.00 0.00 175.26 174.34 1x67 h PRO 132 N -0.73 -0.21 -0.49 0.39 0.11 -1.94 -0.14 132.00 129.00 1x67 h PRO 132 Ca -0.45 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1x67 h PRO 132 Cb 1.23 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1x67 h PRO 132 CO 0.60 -0.14 -0.06 1.05 -0.21 0.00 0.00 178.00 179.25 1x67 h GLU 133 N -0.21 0.90 -0.15 1.05 4.11 -1.97 0.20 114.58 118.50 1x67 h GLU 133 Ca 0.19 -0.31 0.04 0.00 0.07 0.00 0.00 59.36 59.35 1x67 h GLU 133 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1x67 h GLU 133 CO -0.56 0.96 0.15 0.00 0.07 0.00 0.00 179.01 179.63 1x67 n ILE 135 N -3.92 1.60 0.25 0.00 5.41 -0.16 -4.26 119.36 118.28 1x67 n ILE 135 Ca 0.01 -0.47 0.09 0.00 1.00 0.00 0.00 62.75 63.38 1x67 n ILE 135 Cb 0.27 -1.72 0.65 0.00 -0.71 0.00 0.00 39.64 38.13 1x67 n ILE 135 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1x67 h MET 136 N -0.33 0.00 0.00 0.38 2.86 -0.24 -1.12 114.93 116.48 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 1.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.45 1x67 h MET 136 CO -0.11 0.11 -0.22 0.93 1.06 0.00 0.00 176.91 178.68 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 5.08 -0.85 -2.77 114.58 117.76 1x67 h GLU 137 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1x67 h GLU 137 Cb 0.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1x67 h GLU 137 CO 0.01 0.22 -1.84 1.63 -1.00 0.00 0.00 179.01 178.03 1x67 n LYS 138 N -3.81 0.65 -0.17 2.33 5.02 -0.57 -3.97 118.16 117.64 1x67 n LYS 138 Ca -0.02 0.10 -0.02 0.00 -2.02 0.00 0.00 58.31 56.35 1x67 n LYS 138 Cb 0.32 -1.67 0.20 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.22 -0.18 -0.18 2.07 -0.98 -2.65 116.25 115.54 1x67 h VAL 139 Ca -0.27 -0.66 -0.18 0.00 0.82 0.00 0.00 66.70 66.40 1x67 h VAL 139 Cb 1.76 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1x67 h VAL 139 CO 0.04 0.27 -0.62 0.00 0.02 0.00 0.00 177.57 177.27 1x67 h ALA 140 N 1.39 0.56 -1.58 1.67 0.00 -1.68 -3.43 119.26 116.18 1x67 h ALA 140 Ca 0.22 -0.55 -0.63 0.00 0.00 0.00 0.00 54.91 53.95 1x67 h ALA 140 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x67 h ALA 140 CO -0.02 0.70 1.45 0.45 0.00 0.00 0.00 179.25 181.83 1x67 n SER 141 N -3.94 2.76 -3.67 0.00 2.88 -1.00 -4.85 113.62 105.79 1x67 n SER 141 Ca -0.04 0.31 0.01 0.00 -1.33 0.00 0.00 58.87 57.82 1x67 n SER 141 Cb 0.65 -1.42 0.01 0.00 -0.75 0.00 0.00 64.21 62.70 1x67 n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x67 s GLY 142 N 7.78 -0.20 0.33 0.46 0.00 -1.26 -5.00 107.32 109.43 1x67 s GLY 142 Ca 1.05 0.21 -0.27 0.00 0.00 0.00 0.00 44.72 45.71 1x67 s GLY 142 CO 0.42 2.89 1.07 -1.05 0.00 0.00 0.00 173.10 176.43 1x67 n PRO 143 N -0.70 1.53 0.00 2.90 -0.02 -1.26 -4.83 135.00 132.61 1x67 n PRO 143 Ca -0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1x67 n PRO 143 Cb 0.60 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1x67 n PRO 143 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1x67 n SER 144 N 0.98 0.00 -3.54 2.55 2.88 -1.26 -5.11 113.62 110.12 1x67 n SER 144 Ca 0.08 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1x67 n SER 144 Cb 0.34 0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 64.02 1x67 n SER 144 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x67 s SER 145 N -1.82 -0.19 0.00 -3.46 0.15 -1.26 -5.28 113.70 101.85 1x67 s SER 145 Ca 0.00 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1x67 s SER 145 Cb 0.00 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1x67 s SER 145 CO 0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01