#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 0.98 -4.01 1.61 7.64 -1.26 -5.10 113.62 113.49 1x67 n SER 2 Ca 0.00 -2.97 -0.10 0.00 1.01 0.00 0.00 58.87 56.81 1x67 n SER 2 Cb 0.00 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 62.50 1x67 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x67 s SER 3 N -2.09 0.06 0.21 6.43 0.01 -1.26 -5.13 113.70 111.94 1x67 s SER 3 Ca 0.39 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1x67 s SER 3 Cb 0.28 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1x67 s SER 3 CO -0.09 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.26 1x67 n GLY 4 N -0.23 -3.52 3.50 3.44 0.00 -1.26 -4.76 105.19 102.36 1x67 n GLY 4 Ca -0.06 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1x67 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x67 s SER 5 N -3.02 6.33 0.06 1.61 0.15 -1.26 -5.01 113.70 112.57 1x67 s SER 5 Ca 0.00 -1.15 -0.04 0.00 0.70 0.00 0.00 55.95 55.46 1x67 s SER 5 Cb 0.00 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1x67 s SER 5 CO 0.00 -1.49 0.29 -0.55 1.20 0.00 0.00 173.24 172.69 1x67 s SER 6 N 3.98 6.46 -1.28 5.45 0.15 -1.26 -5.02 113.70 122.18 1x67 s SER 6 Ca 0.33 0.50 -0.15 0.00 0.70 0.00 0.00 55.95 57.33 1x67 s SER 6 Cb -0.08 -2.06 0.12 0.00 -1.71 0.00 0.00 66.02 62.29 1x67 s SER 6 CO 0.03 0.17 1.69 0.61 1.20 0.00 0.00 173.24 176.94 1x67 n GLY 7 N 0.59 3.35 3.38 9.45 0.00 -1.26 -4.99 105.19 115.71 1x67 n GLY 7 Ca -0.07 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 6.54 -2.23 -0.87 1.61 0.00 -1.26 -4.98 117.12 115.92 1x67 n MET 8 Ca 0.44 -0.63 -0.30 0.00 -0.00 0.00 0.00 57.70 57.21 1x67 n MET 8 Cb 0.43 -1.96 0.25 0.00 0.00 0.00 0.00 33.22 31.94 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x67 s ALA 9 N -2.32 0.20 0.25 -5.12 0.00 -1.26 -4.96 121.76 108.55 1x67 s ALA 9 Ca 0.63 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 1x67 s ALA 9 Cb -0.20 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1x67 s ALA 9 CO 0.66 -3.85 1.24 0.00 0.00 0.00 0.00 175.76 173.81 1x67 s ALA 10 N -2.78 3.47 -0.31 0.00 0.00 -1.26 -4.88 121.76 116.00 1x67 s ALA 10 Ca 0.70 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.69 1x67 s ALA 10 Cb -0.12 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1x67 s ALA 10 CO 0.57 -0.45 0.04 1.21 0.00 0.00 0.00 175.76 177.14 1x67 s ASN 11 N -0.19 5.02 -0.27 0.00 2.47 -1.26 -4.95 114.94 115.76 1x67 s ASN 11 Ca 0.51 -1.12 0.10 0.00 0.42 0.00 0.00 52.86 52.78 1x67 s ASN 11 Cb -0.36 -1.79 0.50 0.00 -1.45 0.00 0.00 41.25 38.16 1x67 s ASN 11 CO 0.42 -0.26 1.44 0.18 -3.72 0.00 0.00 177.10 175.16 1x67 n LEU 12 N 4.73 3.97 -0.08 3.21 4.32 -1.26 -2.24 117.00 129.64 1x67 n LEU 12 Ca -0.13 -3.67 -0.22 0.00 -0.02 0.00 0.00 56.01 51.96 1x67 n LEU 12 Cb 0.45 -0.61 -0.12 0.00 -1.62 0.00 0.00 43.42 41.51 1x67 n LEU 12 CO 0.29 1.18 -1.05 -1.54 -1.22 0.00 0.00 177.39 175.05 1x67 n SER 13 N -1.06 2.00 0.02 -1.43 3.41 -1.26 -3.28 113.62 112.02 1x67 n SER 13 Ca 0.31 0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1x67 n SER 13 Cb 0.99 -0.74 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1x67 n SER 13 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1x67 h ARG 14 N -0.35 -0.37 -0.99 4.33 3.08 -1.93 -2.44 114.38 115.71 1x67 h ARG 14 Ca -0.51 0.03 -0.65 0.00 0.07 0.00 0.00 59.98 58.92 1x67 h ARG 14 Cb 1.78 0.09 -0.33 0.00 0.08 0.00 0.00 29.97 31.58 1x67 h ARG 14 CO -0.12 -0.25 0.37 0.09 -1.07 0.00 0.00 179.97 178.99 1x67 n ASN 15 N -5.40 6.84 0.03 7.04 3.02 -1.26 -4.81 115.26 120.73 1x67 n ASN 15 Ca -0.04 -3.78 -0.03 0.00 -0.03 0.00 0.00 54.58 50.70 1x67 n ASN 15 Cb 0.31 -0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 1x67 n ASN 15 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1x67 h GLY 16 N 2.12 -1.09 0.05 7.41 0.00 -1.42 0.51 103.07 110.65 1x67 h GLY 16 Ca 0.53 0.49 0.20 0.00 0.00 0.00 0.00 47.33 48.55 1x67 h GLY 16 CO 1.33 -0.39 0.57 -2.55 0.00 0.00 0.00 176.54 175.51 1x67 h PRO 17 N -0.15 0.66 0.66 4.80 0.11 -1.87 0.87 132.00 137.07 1x67 h PRO 17 Ca -0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1x67 h PRO 17 Cb 0.14 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.11 1x67 h PRO 17 CO -0.04 0.44 -0.32 0.00 -0.21 0.00 0.00 178.00 177.87 1x67 h ALA 18 N 1.66 -1.15 -0.34 -0.75 0.00 -1.86 0.24 119.26 117.06 1x67 h ALA 18 Ca 0.58 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.36 1x67 h ALA 18 Cb 0.96 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1x67 h ALA 18 CO -0.41 -1.09 -0.05 -0.07 0.00 0.00 0.00 179.25 177.63 1x67 h LEU 19 N -0.95 -0.24 -1.44 0.00 3.38 -0.54 -0.59 115.31 114.93 1x67 h LEU 19 Ca -0.09 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x67 h LEU 19 Cb 0.68 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1x67 h LEU 19 CO 0.15 -0.08 0.36 -0.61 0.09 0.00 0.00 178.44 178.35 1x67 h GLN 20 N 0.04 0.74 -0.03 1.13 4.15 -0.85 -1.99 115.11 118.30 1x67 h GLN 20 Ca 0.17 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1x67 h GLN 20 Cb 0.24 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1x67 h GLN 20 CO -0.32 0.49 0.01 1.49 -1.93 0.00 0.00 178.83 178.57 1x67 h GLU 21 N 0.76 0.06 0.00 1.69 4.81 0.91 -0.99 114.58 121.81 1x67 h GLU 21 Ca 0.20 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1x67 h GLU 21 Cb -0.08 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1x67 h GLU 21 CO -0.04 0.30 -0.03 0.00 -0.73 0.00 0.00 179.01 178.50 1x67 h ALA 22 N 0.76 1.87 0.05 2.92 0.00 -0.83 -1.70 119.26 122.33 1x67 h ALA 22 Ca 0.01 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1x67 h ALA 22 Cb 0.27 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.07 1x67 h ALA 22 CO 0.00 0.04 -1.11 -0.92 0.00 0.00 0.00 179.25 177.26 1x67 h TYR 23 N 0.00 0.93 0.00 0.00 3.20 -1.10 -2.74 116.97 117.26 1x67 h TYR 23 Ca -0.00 -0.54 -0.04 0.00 3.14 0.00 0.00 58.73 61.28 1x67 h TYR 23 Cb 0.06 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1x67 h TYR 23 CO 0.00 1.38 -0.21 0.28 -1.64 0.00 0.00 178.16 177.97 1x67 h VAL 24 N 0.31 0.62 0.04 1.81 2.07 -0.51 -2.99 116.25 117.59 1x67 h VAL 24 Ca -0.14 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1x67 h VAL 24 Cb 1.77 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1x67 h VAL 24 CO 0.21 0.21 -0.26 0.03 0.02 0.00 0.00 177.57 177.78 1x67 h ARG 25 N 0.00 0.11 -0.18 1.57 3.08 -1.33 -1.97 114.38 115.67 1x67 h ARG 25 Ca -0.00 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 59.93 1x67 h ARG 25 Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1x67 h ARG 25 CO 0.03 1.04 0.21 0.28 -1.07 0.00 0.00 179.97 180.46 1x67 h VAL 26 N -0.73 0.42 0.00 2.04 2.07 -1.44 0.40 116.25 119.01 1x67 h VAL 26 Ca -0.04 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1x67 h VAL 26 Cb 1.16 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1x67 h VAL 26 CO 0.05 0.00 -1.60 1.33 0.02 0.00 0.00 177.57 177.37 1x67 n VAL 27 N -3.72 0.73 -3.28 2.57 0.24 -1.14 -4.75 118.33 108.98 1x67 n VAL 27 Ca 0.01 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 1x67 n VAL 27 Cb 0.33 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.23 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 -3.15 5.05 0.03 3.34 2.01 0.13 -4.93 115.64 118.12 1x67 s THR 28 Ca -0.05 0.15 0.32 0.00 0.31 0.00 0.00 61.69 62.43 1x67 s THR 28 Cb 0.10 -3.96 0.38 0.00 0.01 0.00 0.00 72.50 69.03 1x67 s THR 28 CO 0.84 -0.24 1.95 1.05 -0.69 0.00 0.00 174.62 177.52 1x67 h GLU 29 N 8.53 0.00 -0.17 4.92 4.11 -1.88 -3.21 114.58 126.88 1x67 h GLU 29 Ca -0.28 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.20 1x67 h GLU 29 Cb 1.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 1x67 h GLU 29 CO 0.76 0.00 -0.29 -0.22 0.07 0.00 0.00 179.01 179.33 1x67 h LYS 30 N 0.00 -0.33 -6.86 1.06 1.63 -1.91 -3.42 116.57 106.74 1x67 h LYS 30 Ca 0.00 0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.35 1x67 h LYS 30 Cb 0.51 0.08 0.03 0.00 -0.60 0.00 0.00 32.23 32.25 1x67 h LYS 30 CO 0.00 -0.22 0.03 -1.12 -3.45 0.00 0.00 179.45 174.69 1x67 s SER 31 N -4.96 5.98 -0.77 4.20 0.01 -1.22 -5.02 113.70 111.93 1x67 s SER 31 Ca -0.15 0.63 -0.26 0.00 1.31 0.00 0.00 55.95 57.48 1x67 s SER 31 Cb 0.11 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.49 1x67 s SER 31 CO 0.67 -0.69 1.26 -2.16 0.41 0.00 0.00 173.24 172.73 1x67 s PRO 32 N -4.69 3.24 -0.34 12.44 0.04 -1.26 -4.90 135.00 139.53 1x67 s PRO 32 Ca 0.48 -0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.13 1x67 s PRO 32 Cb -0.10 -4.34 0.19 0.00 0.04 0.00 0.00 34.50 30.29 1x67 s PRO 32 CO 0.42 -2.11 0.64 0.99 0.04 0.00 0.00 177.00 176.98 1x67 s THR 33 N 5.40 -0.94 -0.09 1.26 2.01 -1.26 -4.36 115.64 117.67 1x67 s THR 33 Ca 0.35 0.00 0.15 0.00 0.31 0.00 0.00 61.69 62.50 1x67 s THR 33 Cb -0.08 -0.55 -0.17 0.00 0.01 0.00 0.00 72.50 71.71 1x67 s THR 33 CO 0.11 0.00 0.76 -0.67 -0.69 0.00 0.00 174.62 174.13 1x67 n ASP 34 N 4.97 0.87 -3.49 3.53 -0.08 -0.34 -4.20 116.55 117.82 1x67 n ASP 34 Ca 0.08 0.40 -0.19 0.00 -1.51 0.00 0.00 54.79 53.56 1x67 n ASP 34 Cb 0.56 0.06 -0.08 0.00 2.34 0.00 0.00 41.12 43.99 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 -2.79 1.71 -0.30 -0.67 1.48 -1.01 -1.92 118.94 115.43 1x67 s TRP 35 Ca -0.04 -1.62 -0.15 0.00 -1.06 0.00 0.00 56.10 53.24 1x67 s TRP 35 Cb 0.08 -0.73 0.15 0.00 -1.16 0.00 0.00 33.47 31.82 1x67 s TRP 35 CO 0.82 -0.81 0.95 0.00 -4.06 0.00 0.00 176.95 173.84 1x67 s ALA 36 N -3.50 -2.50 0.02 2.67 0.00 -0.95 -3.82 121.76 113.68 1x67 s ALA 36 Ca 0.40 2.13 -0.01 0.00 0.00 0.00 0.00 51.96 54.48 1x67 s ALA 36 Cb 0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1x67 s ALA 36 CO 0.25 -0.77 0.17 -1.17 0.00 0.00 0.00 175.76 174.24 1x67 s LEU 37 N 2.16 4.25 -0.07 0.00 2.96 -0.68 -1.78 118.68 125.53 1x67 s LEU 37 Ca -0.05 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1x67 s LEU 37 Cb -0.06 -2.67 0.04 0.00 0.50 0.00 0.00 46.19 44.00 1x67 s LEU 37 CO -0.17 0.23 0.11 -0.36 -1.32 0.00 0.00 176.35 174.84 1x67 s PHE 38 N -1.37 -0.06 0.22 5.38 0.08 -0.81 -0.82 117.98 120.59 1x67 s PHE 38 Ca 0.29 0.43 -0.01 0.00 0.12 0.00 0.00 56.93 57.77 1x67 s PHE 38 Cb -0.13 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 1x67 s PHE 38 CO 0.21 -0.24 0.16 -0.08 -0.10 0.00 0.00 175.22 175.18 1x67 s THR 39 N 2.23 0.00 0.88 0.64 -1.32 0.43 -1.75 115.64 116.75 1x67 s THR 39 Ca 0.04 -1.97 -0.11 0.00 -1.21 0.00 0.00 61.69 58.44 1x67 s THR 39 Cb -0.12 -2.49 0.12 0.00 -1.51 0.00 0.00 72.50 68.50 1x67 s THR 39 CO -0.05 0.00 1.10 -0.31 -2.21 0.00 0.00 174.62 173.16 1x67 s TYR 40 N -4.07 2.14 0.37 9.09 1.51 -1.26 -0.12 117.35 125.01 1x67 s TYR 40 Ca 0.38 1.51 0.12 0.00 -1.01 0.00 0.00 57.07 58.07 1x67 s TYR 40 Cb 0.06 -3.16 0.72 0.00 -0.11 0.00 0.00 41.96 39.47 1x67 s TYR 40 CO 0.14 -2.42 1.83 1.49 -1.11 0.00 0.00 175.55 175.49 1x67 h GLU 41 N -1.58 0.05 0.00 -0.62 4.22 -1.64 -3.44 114.58 111.57 1x67 h GLU 41 Ca -0.47 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1x67 h GLU 41 Cb 1.26 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1x67 h GLU 41 CO 0.49 0.38 0.00 0.41 -2.18 0.00 0.00 179.01 178.12 1x67 n GLY 42 N -0.52 0.59 0.00 1.92 0.00 -1.26 -4.97 105.19 100.96 1x67 n GLY 42 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -2.48 1.61 4.13 -1.26 -5.16 115.26 112.10 1x67 n ASN 43 Ca 0.00 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 1x67 n ASN 43 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1x67 n ASN 43 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1x67 n SER 44 N -0.28 -1.51 -4.59 6.41 3.41 -1.26 -5.11 113.62 110.68 1x67 n SER 44 Ca 0.00 -2.36 -0.42 0.00 -0.26 0.00 0.00 58.87 55.82 1x67 n SER 44 Cb 0.00 2.61 -0.02 0.00 -0.26 0.00 0.00 64.21 66.54 1x67 n SER 44 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1x67 s ASN 45 N -2.67 6.06 -0.32 4.04 0.01 -1.26 -4.41 114.94 116.39 1x67 s ASN 45 Ca 0.17 0.83 -0.09 0.00 -0.71 0.00 0.00 52.86 53.06 1x67 s ASN 45 Cb -0.03 -2.54 0.19 0.00 0.41 0.00 0.00 41.25 39.29 1x67 s ASN 45 CO 0.12 -1.65 1.04 -0.62 -1.51 0.00 0.00 177.10 174.48 1x67 s ASP 46 N 5.06 -0.37 0.23 -1.22 2.15 -1.26 -4.33 116.67 116.93 1x67 s ASP 46 Ca 0.66 -0.14 -0.30 0.00 0.43 0.00 0.00 52.55 53.20 1x67 s ASP 46 Cb -0.16 0.62 -0.09 0.00 -0.30 0.00 0.00 42.92 42.99 1x67 s ASP 46 CO 0.31 -0.05 1.38 -0.63 -0.17 0.00 0.00 175.17 176.01 1x67 s ILE 47 N 2.16 2.90 0.08 4.11 -1.09 -0.95 -2.15 121.20 126.26 1x67 s ILE 47 Ca 0.17 0.75 -0.05 0.00 -2.23 0.00 0.00 60.65 59.28 1x67 s ILE 47 Cb 0.02 -3.48 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1x67 s ILE 47 CO -0.16 0.12 0.11 0.00 -1.23 0.00 0.00 174.94 173.77 1x67 s ARG 48 N -0.25 0.79 -0.09 2.79 1.70 0.83 -4.59 118.95 120.13 1x67 s ARG 48 Ca 0.58 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.45 1x67 s ARG 48 Cb -0.40 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 1x67 s ARG 48 CO 0.41 -0.22 1.23 0.54 -1.08 0.00 0.00 175.30 176.18 1x67 s VAL 49 N -3.90 4.25 -0.02 4.99 0.11 -1.26 -0.43 120.40 124.14 1x67 s VAL 49 Ca 0.08 1.55 -0.20 0.00 -2.93 0.00 0.00 61.98 60.48 1x67 s VAL 49 Cb 0.06 -4.00 -0.31 0.00 -1.53 0.00 0.00 36.38 30.60 1x67 s VAL 49 CO -0.09 -0.05 0.96 0.00 -3.33 0.00 0.00 175.10 172.59 1x67 h ALA 50 N 7.75 -0.08 0.00 1.54 0.00 -1.29 -3.47 119.26 123.71 1x67 h ALA 50 Ca -0.31 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1x67 h ALA 50 Cb 1.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1x67 h ALA 50 CO 0.91 0.47 0.00 0.41 0.00 0.00 0.00 179.25 181.04 1x67 n GLY 51 N 1.58 0.77 2.99 0.00 0.00 -1.24 -5.00 105.19 104.29 1x67 n GLY 51 Ca -0.14 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 -0.00 0.25 2.61 -4.23 -1.26 -1.69 115.64 109.31 1x67 s THR 52 Ca 0.00 0.01 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 1x67 s THR 52 Cb 0.00 -0.18 0.02 0.00 1.34 0.00 0.00 72.50 73.68 1x67 s THR 52 CO 0.00 0.01 0.66 -0.83 -0.54 0.00 0.00 174.62 173.91 1x67 s GLY 53 N 0.15 -0.08 -0.33 3.99 0.00 -1.25 -5.02 107.32 104.79 1x67 s GLY 53 Ca -0.01 -0.28 0.09 0.00 0.00 0.00 0.00 44.72 44.53 1x67 s GLY 53 CO -0.00 -0.14 1.72 -2.21 0.00 0.00 0.00 173.10 172.46 1x67 n GLU 54 N -0.43 2.95 0.25 2.90 2.13 -1.26 -1.20 120.64 125.98 1x67 n GLU 54 Ca -0.06 -3.07 0.15 0.00 0.66 0.00 0.00 57.16 54.84 1x67 n GLU 54 Cb 0.60 -2.09 0.49 0.00 0.27 0.00 0.00 31.44 30.72 1x67 n GLU 54 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x67 h GLY 55 N 1.88 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.86 1x67 h GLY 55 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1x67 h GLY 55 CO 0.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.84 1x67 n GLY 56 N 0.39 0.22 0.10 4.60 0.00 -1.26 -4.41 105.19 104.82 1x67 n GLY 56 Ca 0.02 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 1x67 n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x67 h LEU 57 N 0.00 0.00 -1.27 0.99 3.38 -1.95 -3.13 115.31 113.33 1x67 h LEU 57 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1x67 h LEU 57 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1x67 h LEU 57 CO 0.00 0.71 -0.17 -0.33 0.09 0.00 0.00 178.44 178.74 1x67 h GLU 58 N 0.00 0.29 0.00 1.13 5.08 -1.97 -1.25 114.58 117.86 1x67 h GLU 58 Ca -0.14 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 57.96 1x67 h GLU 58 Cb 1.66 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 1x67 h GLU 58 CO 0.07 0.46 -1.19 1.49 -1.00 0.00 0.00 179.01 178.84 1x67 h GLU 59 N 0.27 0.00 0.04 2.33 4.57 -1.77 -3.21 114.58 116.80 1x67 h GLU 59 Ca 0.05 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1x67 h GLU 59 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1x67 h GLU 59 CO 0.03 0.48 -0.02 1.98 -1.18 0.00 0.00 179.01 180.30 1x67 h MET 60 N 0.00 -0.05 -0.00 1.92 4.05 -1.42 -3.03 114.93 116.40 1x67 h MET 60 Ca -0.12 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1x67 h MET 60 Cb 1.64 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.45 1x67 h MET 60 CO 0.07 0.49 -0.09 -0.39 0.23 0.00 0.00 176.91 177.22 1x67 h VAL 61 N -0.63 1.07 0.00 -5.77 -1.51 -1.39 -1.20 116.25 106.81 1x67 h VAL 61 Ca -0.01 -0.32 -0.06 0.00 -1.23 0.00 0.00 66.70 65.08 1x67 h VAL 61 Cb 0.57 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1x67 h VAL 61 CO 0.01 0.09 -0.28 -0.33 -1.23 0.00 0.00 177.57 175.84 1x67 h GLU 62 N 0.01 0.00 0.06 5.19 4.39 -1.55 -2.83 114.58 119.84 1x67 h GLU 62 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1x67 h GLU 62 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1x67 h GLU 62 CO 0.01 0.28 -1.20 0.93 -1.16 0.00 0.00 179.01 177.87 1x67 h GLU 63 N 0.00 0.12 -6.52 2.33 4.39 -1.10 -3.46 114.58 110.34 1x67 h GLU 63 Ca -0.00 -0.21 -0.60 0.00 0.34 0.00 0.00 59.36 58.89 1x67 h GLU 63 Cb 0.64 0.08 0.08 0.00 -0.10 0.00 0.00 28.75 29.45 1x67 h GLU 63 CO 0.04 1.05 0.52 1.28 -1.16 0.00 0.00 179.01 180.73 1x67 n LEU 64 N -3.40 2.68 -4.21 1.33 4.77 -1.02 -4.97 117.00 112.19 1x67 n LEU 64 Ca -0.06 1.14 -0.35 0.00 -0.03 0.00 0.00 56.01 56.71 1x67 n LEU 64 Cb 0.99 -1.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 1x67 n LEU 64 CO 0.50 -0.71 -0.40 0.21 -1.33 0.00 0.00 177.39 175.66 1x67 s ASN 65 N 0.20 4.37 -0.70 -1.43 3.84 -1.26 -5.03 114.94 114.93 1x67 s ASN 65 Ca 0.69 -0.85 -0.26 0.00 0.21 0.00 0.00 52.86 52.66 1x67 s ASN 65 Cb -0.70 -1.68 -0.04 0.00 -0.55 0.00 0.00 41.25 38.28 1x67 s ASN 65 CO 0.51 -0.13 1.94 -0.44 -2.79 0.00 0.00 177.10 176.19 1x67 s SER 66 N 1.34 5.12 0.00 -4.21 0.01 -1.26 -2.74 113.70 111.97 1x67 s SER 66 Ca 0.01 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1x67 s SER 66 Cb -0.17 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1x67 s SER 66 CO -0.04 -2.58 0.00 0.61 0.41 0.00 0.00 173.24 171.64 1x67 n GLY 67 N 6.10 0.30 3.13 3.44 0.00 -1.26 -4.64 105.19 112.26 1x67 n GLY 67 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 1x67 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x67 s LYS 68 N 0.00 1.28 -0.04 1.61 1.02 -1.11 -4.11 119.74 118.40 1x67 s LYS 68 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 1x67 s LYS 68 Cb 0.00 -1.23 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1x67 s LYS 68 CO 0.00 0.33 1.32 0.08 -0.92 0.00 0.00 175.35 176.15 1x67 s VAL 69 N -0.33 3.97 0.32 3.17 1.01 -1.26 -4.13 120.40 123.14 1x67 s VAL 69 Ca 0.05 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.40 1x67 s VAL 69 Cb -0.06 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1x67 s VAL 69 CO -0.00 -0.02 0.28 -0.04 0.00 0.00 0.00 175.10 175.32 1x67 s MET 70 N 2.47 1.72 -0.02 2.72 -1.94 -0.81 -4.59 119.30 118.85 1x67 s MET 70 Ca 0.60 -1.97 0.03 0.00 -1.71 0.00 0.00 55.69 52.64 1x67 s MET 70 Cb -0.28 0.33 0.00 0.00 2.01 0.00 0.00 34.83 36.89 1x67 s MET 70 CO 0.24 -0.64 -0.10 0.71 -0.01 0.00 0.00 175.02 175.22 1x67 s TYR 71 N -3.48 0.99 -0.13 -0.03 1.51 -0.72 -1.55 117.35 113.95 1x67 s TYR 71 Ca 0.40 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1x67 s TYR 71 Cb 0.03 -0.69 -0.00 0.00 -0.11 0.00 0.00 41.96 41.18 1x67 s TYR 71 CO 0.26 -0.09 -0.18 0.00 -1.11 0.00 0.00 175.55 174.43 1x67 s ALA 72 N 0.11 2.40 -0.36 3.71 0.00 -0.79 -1.92 121.76 124.90 1x67 s ALA 72 Ca -0.02 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1x67 s ALA 72 Cb -0.08 -1.06 0.11 0.00 0.00 0.00 0.00 23.12 22.09 1x67 s ALA 72 CO 0.00 0.16 0.10 0.12 0.00 0.00 0.00 175.76 176.14 1x67 s PHE 73 N 0.52 3.11 0.36 0.00 5.36 -0.73 -2.10 117.98 124.50 1x67 s PHE 73 Ca -0.12 -2.70 0.08 0.00 -0.96 0.00 0.00 56.93 53.23 1x67 s PHE 73 Cb -0.16 -2.57 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 1x67 s PHE 73 CO 0.05 -0.90 0.32 0.00 -1.46 0.00 0.00 175.22 173.22 1x67 s ARG 75 N -4.04 0.43 0.39 0.00 3.52 -0.81 -2.55 118.95 115.89 1x67 s ARG 75 Ca 0.43 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 1x67 s ARG 75 Cb -0.05 -1.96 -0.05 0.00 -1.56 0.00 0.00 34.95 31.33 1x67 s ARG 75 CO 0.27 -0.64 0.05 0.14 -0.81 0.00 0.00 175.30 174.31 1x67 s VAL 76 N 1.97 1.30 -0.07 7.11 -7.23 -1.04 -4.94 120.40 117.49 1x67 s VAL 76 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1x67 s VAL 76 Cb -0.16 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1x67 s VAL 76 CO -0.08 0.00 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.09 1x67 s LYS 77 N -3.81 2.85 0.88 4.82 -2.85 -1.26 -0.29 119.74 120.09 1x67 s LYS 77 Ca 0.29 -0.49 -0.11 0.00 -1.00 0.00 0.00 55.97 54.66 1x67 s LYS 77 Cb 0.07 -2.69 0.12 0.00 -2.06 0.00 0.00 37.83 33.27 1x67 s LYS 77 CO 0.14 0.68 1.10 -0.51 0.10 0.00 0.00 175.35 176.86 1x67 s ASP 78 N -0.95 3.45 -0.05 0.03 1.11 -0.94 -4.86 116.67 114.46 1x67 s ASP 78 Ca 0.14 1.77 -0.25 0.00 0.18 0.00 0.00 52.55 54.39 1x67 s ASP 78 Cb -0.11 -2.39 -0.23 0.00 1.07 0.00 0.00 42.92 41.25 1x67 s ASP 78 CO 0.03 -2.69 1.04 1.55 1.18 0.00 0.00 175.17 176.28 1x67 h PRO 79 N -1.59 0.15 0.00 8.23 0.13 -1.91 -2.54 132.00 134.47 1x67 h PRO 79 Ca -0.47 -0.16 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 1x67 h PRO 79 Cb 1.27 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1x67 h PRO 79 CO 0.50 0.88 -1.00 0.09 -0.23 0.00 0.00 178.00 178.24 1x67 n ASN 80 N -4.54 1.84 -0.21 1.44 3.02 -1.26 -4.33 115.26 111.21 1x67 n ASN 80 Ca -0.09 0.50 -0.01 0.00 -0.03 0.00 0.00 54.58 54.95 1x67 n ASN 80 Cb 0.47 -0.93 0.21 0.00 -0.61 0.00 0.00 39.78 38.93 1x67 n ASN 80 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x67 h SER 81 N -1.00 0.88 -0.86 6.41 4.64 -1.96 -3.45 113.55 118.20 1x67 h SER 81 Ca -0.22 -0.06 -0.37 0.00 -0.47 0.00 0.00 61.79 60.66 1x67 h SER 81 Cb 1.01 -0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 62.73 1x67 h SER 81 CO -0.14 0.70 -0.34 0.61 -0.87 0.00 0.00 176.83 176.80 1x67 n GLY 82 N -1.25 1.77 3.84 -0.77 0.00 -0.96 -4.91 105.19 102.91 1x67 n GLY 82 Ca 0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.13 3.99 -0.29 0.99 1.43 -1.26 -4.68 118.68 114.73 1x67 s LEU 83 Ca 0.00 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 1x67 s LEU 83 Cb 0.00 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 1x67 s LEU 83 CO 0.00 0.10 1.71 -2.16 0.23 0.00 0.00 176.35 176.23 1x67 s PRO 84 N -2.90 3.53 0.02 1.29 0.04 -1.26 -2.22 135.00 133.50 1x67 s PRO 84 Ca 0.32 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1x67 s PRO 84 Cb -0.11 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 1x67 s PRO 84 CO 0.25 -1.62 -0.11 0.15 0.04 0.00 0.00 177.00 175.71 1x67 s LYS 85 N 5.24 2.37 -0.18 4.56 -0.14 0.60 -4.98 119.74 127.21 1x67 s LYS 85 Ca 0.76 -0.83 -0.11 0.00 -1.36 0.00 0.00 55.97 54.43 1x67 s LYS 85 Cb -0.23 -2.39 -0.05 0.00 -1.68 0.00 0.00 37.83 33.48 1x67 s LYS 85 CO 0.32 0.57 0.18 -0.06 -0.76 0.00 0.00 175.35 175.61 1x67 s PHE 86 N -0.99 3.45 0.01 3.18 0.08 -1.26 -2.51 117.98 119.94 1x67 s PHE 86 Ca 0.17 0.44 0.05 0.00 0.12 0.00 0.00 56.93 57.70 1x67 s PHE 86 Cb -0.11 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 1x67 s PHE 86 CO 0.07 0.32 -0.13 0.08 -0.10 0.00 0.00 175.22 175.47 1x67 s VAL 87 N 0.24 3.18 -0.18 -0.44 1.01 -1.06 -0.12 120.40 123.03 1x67 s VAL 87 Ca 0.11 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1x67 s VAL 87 Cb -0.12 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1x67 s VAL 87 CO 0.01 0.40 -0.18 -0.22 0.00 0.00 0.00 175.10 175.10 1x67 s LEU 88 N -1.32 2.16 -0.12 3.92 1.98 -0.84 -3.47 118.68 120.98 1x67 s LEU 88 Ca 0.15 -0.69 0.01 0.00 -2.89 0.00 0.00 54.13 50.72 1x67 s LEU 88 Cb -0.11 -1.43 -0.01 0.00 0.66 0.00 0.00 46.19 45.31 1x67 s LEU 88 CO 0.06 -0.03 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.68 1x67 s ILE 89 N 1.31 2.63 -1.15 6.68 1.01 -0.89 -1.21 121.20 129.58 1x67 s ILE 89 Ca 0.04 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1x67 s ILE 89 Cb -0.14 -2.07 0.25 0.00 0.01 0.00 0.00 42.46 40.51 1x67 s ILE 89 CO -0.12 0.54 1.31 0.59 0.00 0.00 0.00 174.94 177.26 1x67 n ASN 90 N 3.60 5.57 -4.66 3.58 3.02 -0.62 -1.88 115.26 123.87 1x67 n ASN 90 Ca -0.19 -3.09 -0.50 0.00 -0.03 0.00 0.00 54.58 50.77 1x67 n ASN 90 Cb 0.53 -1.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.23 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 3.25 2.06 -3.43 3.10 -0.00 -0.59 -3.99 117.44 117.83 1x67 n TRP 91 Ca 0.29 0.34 -0.27 0.00 -0.00 0.00 0.00 57.50 57.86 1x67 n TRP 91 Cb 0.39 -2.51 -0.11 0.00 -0.00 0.00 0.00 31.31 29.08 1x67 n TRP 91 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1x67 s THR 92 N 2.11 0.07 0.56 5.87 2.01 -1.17 -1.93 115.64 123.16 1x67 s THR 92 Ca 0.87 -1.71 -0.19 0.00 0.31 0.00 0.00 61.69 60.97 1x67 s THR 92 Cb -0.82 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.57 1x67 s THR 92 CO 0.49 -0.95 0.79 0.61 -0.69 0.00 0.00 174.62 174.87 1x67 n GLY 93 N 3.90 -0.79 0.18 4.40 0.00 -1.25 -4.25 105.19 107.38 1x67 n GLY 93 Ca 0.14 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 0.52 0.00 -0.02 1.61 4.11 -1.88 -2.88 114.58 116.04 1x67 h GLU 94 Ca -0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.97 1x67 h GLU 94 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1x67 h GLU 94 CO 0.50 0.42 0.10 0.78 0.07 0.00 0.00 179.01 180.89 1x67 h GLY 95 N 1.65 0.00 -6.25 1.06 0.00 -1.85 -3.40 103.07 94.29 1x67 h GLY 95 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1x67 h GLY 95 CO 0.05 0.00 0.99 0.14 0.00 0.00 0.00 176.54 177.73 1x67 s VAL 96 N -4.24 4.08 1.08 4.60 1.01 -1.09 -4.98 120.40 120.86 1x67 s VAL 96 Ca -0.05 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 1x67 s VAL 96 Cb 0.12 -4.21 0.09 0.00 0.00 0.00 0.00 36.38 32.39 1x67 s VAL 96 CO 0.41 -0.60 0.12 -0.46 0.00 0.00 0.00 175.10 174.57 1x67 n ASN 97 N 7.98 -2.29 -0.12 3.32 6.94 -1.26 -4.66 115.26 125.16 1x67 n ASN 97 Ca 0.15 -0.01 -0.13 0.00 -0.02 0.00 0.00 54.58 54.57 1x67 n ASN 97 Cb 0.47 -1.02 -0.02 0.00 -2.36 0.00 0.00 39.78 36.85 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 -1.96 0.96 -0.34 0.53 3.58 -1.94 -1.84 116.42 115.41 1x67 h ASP 98 Ca -0.51 -0.45 0.10 0.00 0.42 0.00 0.00 57.03 56.59 1x67 h ASP 98 Cb 1.34 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 1x67 h ASP 98 CO 0.38 1.21 0.34 0.58 -2.88 0.00 0.00 179.24 178.86 1x67 h VAL 99 N 0.72 0.48 0.11 2.25 2.07 -2.00 -1.39 116.25 118.49 1x67 h VAL 99 Ca 0.07 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.22 1x67 h VAL 99 Cb 0.91 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1x67 h VAL 99 CO 0.08 0.00 -2.05 -1.14 0.02 0.00 0.00 177.57 174.48 1x67 n ARG 100 N -3.88 0.75 -0.23 1.57 3.00 -1.09 -3.50 116.66 113.28 1x67 n ARG 100 Ca 0.05 0.25 0.12 0.00 -0.00 0.00 0.00 57.85 58.28 1x67 n ARG 100 Cb 0.50 -1.69 0.42 0.00 0.00 0.00 0.00 32.46 31.69 1x67 n ARG 100 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1x67 h LYS 101 N 0.06 0.59 0.00 -0.14 1.57 -0.42 0.30 116.57 118.53 1x67 h LYS 101 Ca -0.44 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1x67 h LYS 101 Cb 2.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.20 1x67 h LYS 101 CO 0.07 0.39 -0.39 0.78 -0.57 0.00 0.00 179.45 179.73 1x67 h GLY 102 N 0.61 0.00 1.25 3.86 0.00 -1.53 -3.04 103.07 104.23 1x67 h GLY 102 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.59 1x67 h GLY 102 CO -0.17 0.00 -1.16 0.00 0.00 0.00 0.00 176.54 175.22 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -0.93 -3.34 119.26 121.28 1x67 h ALA 103 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 1x67 h ALA 103 Cb 0.98 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1x67 h ALA 103 CO 0.00 0.79 -1.01 0.00 0.00 0.00 0.00 179.25 179.03 1x67 h ALA 105 N 1.40 1.70 -0.37 0.00 0.00 -1.64 0.15 119.26 120.49 1x67 h ALA 105 Ca -0.09 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1x67 h ALA 105 Cb 1.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1x67 h ALA 105 CO 0.06 -0.00 0.26 1.03 0.00 0.00 0.00 179.25 180.60 1x67 h SER 106 N 0.80 0.08 1.05 0.00 0.87 -1.75 0.49 113.55 115.08 1x67 h SER 106 Ca 0.52 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.93 1x67 h SER 106 Cb 0.76 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1x67 h SER 106 CO -0.29 0.05 -0.74 0.45 -0.53 0.00 0.00 176.83 175.77 1x67 h HIS 107 N 0.09 0.00 -0.73 2.24 3.86 -0.93 -3.27 115.15 116.42 1x67 h HIS 107 Ca 0.17 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1x67 h HIS 107 Cb 0.57 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 1x67 h HIS 107 CO -0.00 0.74 0.37 0.28 0.86 0.00 0.00 177.93 180.18 1x67 h VAL 108 N 0.00 1.23 -0.71 2.45 2.07 -0.63 -1.90 116.25 118.77 1x67 h VAL 108 Ca -0.01 -0.64 0.16 0.00 0.82 0.00 0.00 66.70 67.04 1x67 h VAL 108 Cb 1.46 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1x67 h VAL 108 CO 0.10 0.27 0.48 0.28 0.02 0.00 0.00 177.57 178.72 1x67 h SER 109 N 1.02 0.23 0.02 0.57 0.02 -1.57 0.12 113.55 113.96 1x67 h SER 109 Ca 0.25 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1x67 h SER 109 Cb 0.10 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1x67 h SER 109 CO -0.03 0.12 -0.19 0.74 -1.14 0.00 0.00 176.83 176.32 1x67 h THR 110 N 0.24 1.71 -0.92 -2.27 2.02 -1.56 -3.31 112.91 108.82 1x67 h THR 110 Ca 0.34 -2.37 0.07 0.00 0.77 0.00 0.00 66.41 65.23 1x67 h THR 110 Cb 1.00 3.30 -0.07 0.00 -1.74 0.00 0.00 68.15 70.65 1x67 h THR 110 CO -0.08 0.61 0.57 0.24 0.37 0.00 0.00 175.52 177.24 1x67 h MET 111 N -0.91 0.99 -0.69 6.66 2.07 -0.72 -1.84 114.93 120.49 1x67 h MET 111 Ca -0.04 -0.06 0.13 0.00 -2.07 0.00 0.00 59.70 57.66 1x67 h MET 111 Cb 1.11 -0.22 -0.09 0.00 -1.87 0.00 0.00 31.60 30.53 1x67 h MET 111 CO 0.01 0.65 0.24 0.00 1.07 0.00 0.00 176.91 178.88 1x67 h ALA 112 N 1.44 0.91 -0.31 6.32 0.00 -0.92 -0.44 119.26 126.27 1x67 h ALA 112 Ca 0.41 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.30 1x67 h ALA 112 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1x67 h ALA 112 CO -0.19 -0.24 -0.35 1.03 0.00 0.00 0.00 179.25 179.50 1x67 h SER 113 N 0.38 0.74 0.24 0.00 0.87 -1.45 -3.21 113.55 111.11 1x67 h SER 113 Ca 0.37 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1x67 h SER 113 Cb 0.54 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1x67 h SER 113 CO -0.39 1.02 -0.15 0.15 -0.53 0.00 0.00 176.83 176.93 1x67 h PHE 114 N 0.59 -0.38 -1.49 2.24 3.57 -0.50 -3.12 116.94 117.85 1x67 h PHE 114 Ca 0.06 -0.00 -0.76 0.00 3.53 0.00 0.00 57.97 60.79 1x67 h PHE 114 Cb 0.88 0.14 -0.17 0.00 2.79 0.00 0.00 35.95 39.59 1x67 h PHE 114 CO 0.04 -0.23 2.01 1.28 -2.23 0.00 0.00 178.31 179.18 1x67 n LEU 115 N -5.27 7.72 -4.53 0.59 4.77 -0.39 -5.00 117.00 114.89 1x67 n LEU 115 Ca -0.09 -4.99 -0.29 0.00 -0.03 0.00 0.00 56.01 50.60 1x67 n LEU 115 Cb 0.18 -1.33 0.24 0.00 -2.33 0.00 0.00 43.42 40.19 1x67 n LEU 115 CO 0.33 1.99 0.56 -0.54 -1.33 0.00 0.00 177.39 178.40 1x67 s LYS 116 N -1.80 -1.13 0.00 3.23 -0.14 -1.18 -3.99 119.74 114.73 1x67 s LYS 116 Ca 0.49 0.28 0.00 0.00 -1.36 0.00 0.00 55.97 55.38 1x67 s LYS 116 Cb 0.17 -1.58 0.00 0.00 -1.68 0.00 0.00 37.83 34.75 1x67 s LYS 116 CO -0.09 -3.73 0.00 0.41 -0.76 0.00 0.00 175.35 171.19 1x67 n GLY 117 N -0.19 3.06 3.51 -3.33 0.00 -1.26 -4.98 105.19 102.00 1x67 n GLY 117 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.16 0.76 0.25 4.61 0.00 -1.26 -4.44 120.51 119.27 1x67 n ALA 118 Ca 0.00 -0.48 0.10 0.00 0.00 0.00 0.00 53.44 53.06 1x67 n ALA 118 Cb 0.00 -2.75 0.64 0.00 0.00 0.00 0.00 19.45 17.34 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 15.29 0.00 -3.65 0.00 3.86 -0.90 -3.44 115.15 126.31 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 -0.21 0.00 1.06 0.00 0.00 27.41 29.55 1x67 h HIS 119 CO 1.00 0.16 -0.56 0.08 0.86 0.00 0.00 177.93 179.47 1x67 s VAL 120 N -4.24 0.09 0.02 2.45 1.01 -1.22 -5.07 120.40 113.44 1x67 s VAL 120 Ca -0.03 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1x67 s VAL 120 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1x67 s VAL 120 CO 0.62 -0.39 -0.23 -0.89 0.00 0.00 0.00 175.10 174.22 1x67 s THR 121 N -1.30 1.81 -0.05 3.92 2.01 -1.26 -1.99 115.64 118.77 1x67 s THR 121 Ca -0.14 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.69 1x67 s THR 121 Cb -0.08 -1.54 0.03 0.00 0.01 0.00 0.00 72.50 70.93 1x67 s THR 121 CO 0.01 0.35 0.11 -0.63 -0.69 0.00 0.00 174.62 173.77 1x67 s ILE 122 N -0.70 -0.05 -0.77 1.82 1.01 -0.35 -4.98 121.20 117.18 1x67 s ILE 122 Ca 0.09 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1x67 s ILE 122 Cb -0.09 -0.19 0.20 0.00 0.01 0.00 0.00 42.46 42.38 1x67 s ILE 122 CO 0.01 0.07 0.64 0.20 0.00 0.00 0.00 174.94 175.86 1x67 s ASN 123 N 1.05 5.86 0.57 3.58 -0.87 -1.26 -1.59 114.94 122.28 1x67 s ASN 123 Ca -0.08 -3.11 0.03 0.00 -1.57 0.00 0.00 52.86 48.13 1x67 s ASN 123 Cb -0.11 -1.96 0.10 0.00 -0.02 0.00 0.00 41.25 39.25 1x67 s ASN 123 CO -0.05 -0.35 0.70 0.00 -2.57 0.00 0.00 177.10 174.83 1x67 n ALA 124 N 3.22 0.44 0.00 0.60 0.00 -1.26 -4.97 120.51 118.55 1x67 n ALA 124 Ca 0.14 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1x67 n ALA 124 Cb 0.40 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.22 0.00 -3.41 0.00 1.74 -1.26 -3.05 116.66 108.45 1x67 n ARG 125 Ca 0.12 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.02 1x67 n ARG 125 Cb 0.45 -0.26 -0.00 0.00 -1.02 0.00 0.00 32.46 31.63 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 4.27 0.30 7.54 0.00 -1.26 -3.76 121.76 127.60 1x67 s ALA 126 Ca 0.00 -1.48 0.23 0.00 0.00 0.00 0.00 51.96 50.71 1x67 s ALA 126 Cb 0.00 -1.68 1.10 0.00 0.00 0.00 0.00 23.12 22.54 1x67 s ALA 126 CO 0.00 -0.06 1.92 0.93 0.00 0.00 0.00 175.76 178.55 1x67 h GLU 127 N 0.86 0.00 0.00 0.00 5.08 -1.96 -2.34 114.58 116.21 1x67 h GLU 127 Ca -0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 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 -0.26 1.05 -1.00 0.00 0.00 179.01 179.53 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.92 114.58 115.25 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 0.57 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 1x67 h GLU 128 CO 0.03 0.26 0.26 -0.25 0.07 0.00 0.00 179.01 179.39 1x67 n ASP 129 N -3.34 4.14 -0.97 3.06 8.00 -0.88 -3.98 116.55 122.59 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 0.50 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x67 n VAL 130 N -0.16 0.00 -1.87 2.53 0.24 -1.11 -4.64 118.33 113.32 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 1.21 0.55 0.03 0.00 -1.47 0.00 0.00 33.84 34.17 1x67 n VAL 130 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x67 s GLU 131 N 0.00 3.16 0.18 7.34 8.01 -1.23 -4.80 118.70 131.35 1x67 s GLU 131 Ca 0.10 0.59 -0.20 0.00 0.01 0.00 0.00 54.97 55.48 1x67 s GLU 131 Cb 0.12 -2.04 0.12 0.00 -4.31 0.00 0.00 34.13 28.01 1x67 s GLU 131 CO -0.05 -0.85 1.61 -1.35 0.01 0.00 0.00 175.26 174.62 1x67 h PRO 132 N -0.52 -0.16 -0.12 0.39 0.11 -1.94 0.27 132.00 130.03 1x67 h PRO 132 Ca -0.45 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.55 1x67 h PRO 132 Cb 1.23 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1x67 h PRO 132 CO 0.63 -0.10 -0.48 1.05 -0.21 0.00 0.00 178.00 178.88 1x67 h GLU 133 N -0.16 0.30 0.00 1.05 4.11 -1.97 0.14 114.58 118.05 1x67 h GLU 133 Ca 0.21 -0.17 -0.05 0.00 0.07 0.00 0.00 59.36 59.42 1x67 h GLU 133 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1x67 h GLU 133 CO -0.58 0.73 -0.26 0.00 0.07 0.00 0.00 179.01 178.97 1x67 n ILE 135 N -3.76 1.55 0.04 0.00 5.41 0.80 -4.28 119.36 119.13 1x67 n ILE 135 Ca -0.01 -0.19 0.10 0.00 1.00 0.00 0.00 62.75 63.65 1x67 n ILE 135 Cb 0.36 -1.96 0.54 0.00 -0.71 0.00 0.00 39.64 37.87 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 -0.90 0.28 -0.14 0.38 2.86 -0.77 -0.31 114.93 116.34 1x67 h MET 136 Ca -0.46 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1x67 h MET 136 Cb 1.46 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 1x67 h MET 136 CO -0.25 0.19 0.14 0.93 1.06 0.00 0.00 176.91 178.98 1x67 h GLU 137 N 0.29 0.00 0.00 1.72 5.08 -1.42 -1.02 114.58 119.23 1x67 h GLU 137 Ca 0.16 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.27 1x67 h GLU 137 Cb 0.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1x67 h GLU 137 CO -0.03 0.00 -1.89 1.63 -1.00 0.00 0.00 179.01 177.72 1x67 n LYS 138 N -3.94 0.65 -0.24 2.33 5.02 -0.18 -4.23 118.16 117.57 1x67 n LYS 138 Ca 0.01 0.11 -0.03 0.00 -2.02 0.00 0.00 58.31 56.38 1x67 n LYS 138 Cb 0.26 -1.67 0.16 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.23 -0.19 -0.18 2.07 -0.64 -2.06 116.25 116.47 1x67 h VAL 139 Ca -0.31 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1x67 h VAL 139 Cb 1.86 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1x67 h VAL 139 CO 0.04 0.27 0.13 0.00 0.02 0.00 0.00 177.57 178.03 1x67 h ALA 140 N 1.35 1.93 -1.64 1.67 0.00 -1.62 -3.41 119.26 117.55 1x67 h ALA 140 Ca 0.26 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.63 1x67 h ALA 140 Cb 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1x67 h ALA 140 CO -0.04 0.05 1.57 0.45 0.00 0.00 0.00 179.25 181.29 1x67 n SER 141 N -4.51 2.58 0.00 0.00 2.88 -0.78 -4.83 113.62 108.97 1x67 n SER 141 Ca 0.00 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1x67 n SER 141 Cb 0.12 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 1x67 n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x67 n GLY 142 N 5.99 -0.31 0.21 0.46 0.00 -1.26 -4.69 105.19 105.59 1x67 n GLY 142 Ca 0.36 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.46 1x67 n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x67 h PRO 143 N 0.00 0.00 -5.98 1.61 0.13 -1.99 -3.47 132.00 122.29 1x67 h PRO 143 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 1x67 h PRO 143 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1x67 h PRO 143 CO 0.00 0.29 -0.85 0.45 -0.23 0.00 0.00 178.00 177.66 1x67 n SER 144 N -3.49 -2.75 -0.15 1.44 2.88 -1.26 -4.85 113.62 105.42 1x67 n SER 144 Ca -0.00 -0.82 0.14 0.00 -1.33 0.00 0.00 58.87 56.86 1x67 n SER 144 Cb 0.46 -4.20 0.49 0.00 -0.75 0.00 0.00 64.21 60.20 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 -1.76 0.42 0.00 -3.46 0.87 -2.00 -3.54 113.55 104.08 1x67 h SER 145 Ca -0.62 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1x67 h SER 145 Cb 1.35 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1x67 h SER 145 CO 0.53 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.66