#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 0.45 0.26 1.61 0.15 -1.26 -5.15 113.70 109.76 1x67 s SER 2 Ca 0.00 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.57 1x67 s SER 2 Cb 0.00 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.32 1x67 s SER 2 CO 0.00 -0.33 0.20 -0.94 1.20 0.00 0.00 173.24 173.37 1x67 s SER 3 N 2.52 0.85 0.00 5.45 1.04 -1.26 -5.10 113.70 117.21 1x67 s SER 3 Ca 0.11 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1x67 s SER 3 Cb -0.14 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x67 s SER 3 CO -0.23 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1x67 n GLY 4 N -0.43 -1.38 3.30 7.32 0.00 -1.26 -5.16 105.19 107.59 1x67 n GLY 4 Ca 0.05 0.58 -0.18 0.00 0.00 0.00 0.00 46.02 46.46 1x67 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x67 s SER 5 N -4.00 1.38 -0.09 1.61 0.01 -1.26 -5.16 113.70 106.20 1x67 s SER 5 Ca 0.00 -1.60 0.01 0.00 1.31 0.00 0.00 55.95 55.67 1x67 s SER 5 Cb 0.00 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.69 1x67 s SER 5 CO 0.00 -0.94 -0.09 -0.44 0.41 0.00 0.00 173.24 172.18 1x67 s SER 6 N -3.35 1.89 0.00 2.44 0.01 -1.26 -5.11 113.70 108.32 1x67 s SER 6 Ca 0.37 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 1x67 s SER 6 Cb 0.04 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1x67 s SER 6 CO 0.19 -0.05 0.03 0.61 0.41 0.00 0.00 173.24 174.43 1x67 n GLY 7 N 4.38 0.71 0.95 3.44 0.00 -1.26 -5.04 105.19 108.36 1x67 n GLY 7 Ca -0.18 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.02 0.40 -4.60 1.61 1.56 -1.26 -5.09 117.12 109.73 1x67 n MET 8 Ca 0.00 -2.03 -0.29 0.00 -0.27 0.00 0.00 57.70 55.11 1x67 n MET 8 Cb 0.01 -0.56 -0.10 0.00 2.15 0.00 0.00 33.22 34.73 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 -0.85 3.39 0.16 -5.12 0.00 -1.26 -4.99 121.76 113.10 1x67 s ALA 9 Ca 0.26 -1.93 -0.31 0.00 0.00 0.00 0.00 51.96 49.98 1x67 s ALA 9 Cb 0.28 0.09 -0.11 0.00 0.00 0.00 0.00 23.12 23.38 1x67 s ALA 9 CO -0.09 -0.11 1.71 0.00 0.00 0.00 0.00 175.76 177.27 1x67 s ALA 10 N -2.73 3.83 -0.31 0.00 0.00 -1.26 -4.89 121.76 116.40 1x67 s ALA 10 Ca 0.30 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.66 1x67 s ALA 10 Cb 0.08 -3.70 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1x67 s ALA 10 CO 0.16 -0.99 0.09 1.21 0.00 0.00 0.00 175.76 176.23 1x67 s ASN 11 N 1.71 5.20 -0.25 0.00 2.47 -1.26 -4.95 114.94 117.86 1x67 s ASN 11 Ca 0.75 -0.88 0.12 0.00 0.42 0.00 0.00 52.86 53.27 1x67 s ASN 11 Cb -0.46 -1.88 0.50 0.00 -1.45 0.00 0.00 41.25 37.96 1x67 s ASN 11 CO 0.33 -0.25 1.43 0.18 -3.72 0.00 0.00 177.10 175.07 1x67 n LEU 12 N 4.85 3.93 -0.06 3.21 4.32 -1.26 -2.91 117.00 129.07 1x67 n LEU 12 Ca -0.14 -3.51 -0.22 0.00 -0.02 0.00 0.00 56.01 52.12 1x67 n LEU 12 Cb 0.47 -0.60 -0.13 0.00 -1.62 0.00 0.00 43.42 41.55 1x67 n LEU 12 CO 0.32 1.05 -0.78 -1.20 -1.22 0.00 0.00 177.39 175.55 1x67 n SER 13 N -0.97 2.00 0.03 -1.43 7.64 -1.26 -3.09 113.62 116.54 1x67 n SER 13 Ca 0.28 0.28 -0.11 0.00 1.01 0.00 0.00 58.87 60.34 1x67 n SER 13 Cb 0.97 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.45 -0.38 -0.98 1.43 3.08 -1.94 -2.39 114.38 112.77 1x67 h ARG 14 Ca -0.43 0.03 -0.65 0.00 0.07 0.00 0.00 59.98 58.99 1x67 h ARG 14 Cb 1.70 0.09 -0.32 0.00 0.08 0.00 0.00 29.97 31.52 1x67 h ARG 14 CO -0.08 -0.25 0.52 0.09 -1.07 0.00 0.00 179.97 179.18 1x67 n ASN 15 N -5.39 7.12 0.00 7.04 3.02 -1.26 -4.80 115.26 120.99 1x67 n ASN 15 Ca -0.04 -3.78 -0.00 0.00 -0.03 0.00 0.00 54.58 50.73 1x67 n ASN 15 Cb 0.30 -0.85 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 2.07 -1.06 0.14 7.41 0.00 -1.36 0.84 103.07 111.12 1x67 h GLY 16 Ca 0.56 0.45 0.20 0.00 0.00 0.00 0.00 47.33 48.54 1x67 h GLY 16 CO 1.42 -0.40 0.62 -2.55 0.00 0.00 0.00 176.54 175.62 1x67 h PRO 17 N -0.00 0.61 0.85 4.80 0.11 -1.87 0.10 132.00 136.60 1x67 h PRO 17 Ca -0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1x67 h PRO 17 Cb 0.00 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 30.98 1x67 h PRO 17 CO -0.00 0.40 -0.41 0.00 -0.21 0.00 0.00 178.00 177.78 1x67 h ALA 18 N 1.63 -1.15 0.15 -0.75 0.00 -1.86 -0.30 119.26 116.99 1x67 h ALA 18 Ca 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x67 h ALA 18 Cb 1.05 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1x67 h ALA 18 CO -0.32 -1.08 -0.13 -0.07 0.00 0.00 0.00 179.25 177.66 1x67 h LEU 19 N -1.28 -0.33 -0.74 0.00 3.38 -0.36 -2.52 115.31 113.46 1x67 h LEU 19 Ca -0.12 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1x67 h LEU 19 Cb 0.88 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1x67 h LEU 19 CO 0.19 -0.20 0.30 -0.61 0.09 0.00 0.00 178.44 178.21 1x67 h GLN 20 N -0.29 0.44 0.06 1.13 4.15 -0.86 -1.29 115.11 118.45 1x67 h GLN 20 Ca -0.00 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1x67 h GLN 20 Cb 0.27 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 1x67 h GLN 20 CO -0.02 0.29 -0.26 1.49 -1.93 0.00 0.00 178.83 178.40 1x67 h GLU 21 N 0.46 -0.42 -0.00 1.69 4.81 -0.67 0.28 114.58 120.72 1x67 h GLU 21 Ca 0.40 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1x67 h GLU 21 Cb 0.58 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1x67 h GLU 21 CO -0.38 -0.28 0.00 0.00 -0.73 0.00 0.00 179.01 177.62 1x67 h ALA 22 N 0.33 1.51 0.00 2.92 0.00 -0.96 -0.36 119.26 122.70 1x67 h ALA 22 Ca 0.05 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1x67 h ALA 22 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1x67 h ALA 22 CO -0.19 -0.01 -0.91 -0.92 0.00 0.00 0.00 179.25 177.22 1x67 h TYR 23 N 0.00 0.00 0.00 0.00 3.20 0.01 -3.08 116.97 117.10 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 0.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1x67 h TYR 23 CO 0.00 0.60 -0.91 0.28 -1.64 0.00 0.00 178.16 176.48 1x67 h VAL 24 N 0.00 1.62 -0.00 1.81 2.07 0.12 -3.20 116.25 118.66 1x67 h VAL 24 Ca -0.07 -3.17 -0.05 0.00 0.82 0.00 0.00 66.70 64.23 1x67 h VAL 24 Cb 1.52 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.02 1x67 h VAL 24 CO 0.07 0.90 -0.20 0.03 0.02 0.00 0.00 177.57 178.39 1x67 h ARG 25 N 0.00 0.14 -0.21 1.57 3.08 -1.41 -0.72 114.38 116.82 1x67 h ARG 25 Ca -0.01 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 59.96 1x67 h ARG 25 Cb 1.66 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 1x67 h ARG 25 CO 0.12 0.89 0.21 0.28 -1.07 0.00 0.00 179.97 180.40 1x67 h VAL 26 N -0.55 0.53 0.00 2.04 2.07 -1.65 -0.02 116.25 118.68 1x67 h VAL 26 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1x67 h VAL 26 Cb 0.95 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1x67 h VAL 26 CO 0.04 0.00 -1.63 1.33 0.02 0.00 0.00 177.57 177.33 1x67 n VAL 27 N -3.91 0.55 -3.41 2.57 0.24 -1.21 -4.64 118.33 108.52 1x67 n VAL 27 Ca 0.02 -0.59 -0.43 0.00 -2.04 0.00 0.00 64.34 61.30 1x67 n VAL 27 Cb 0.34 -0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.33 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 -3.26 5.20 0.34 3.34 2.01 -0.02 -4.93 115.64 118.32 1x67 s THR 28 Ca -0.05 -0.57 0.38 0.00 0.31 0.00 0.00 61.69 61.77 1x67 s THR 28 Cb 0.11 -3.98 0.42 0.00 0.01 0.00 0.00 72.50 69.06 1x67 s THR 28 CO 0.85 -0.36 2.15 -0.08 -0.69 0.00 0.00 174.62 176.48 1x67 h GLU 29 N 8.67 0.00 -0.22 4.92 4.22 -1.88 -3.08 114.58 127.21 1x67 h GLU 29 Ca -0.27 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.23 1x67 h GLU 29 Cb 1.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 1x67 h GLU 29 CO 0.76 0.00 -0.25 -0.22 -2.18 0.00 0.00 179.01 177.12 1x67 h LYS 30 N 0.00 -0.26 -6.97 1.92 3.64 -1.91 -3.42 116.57 109.57 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 0.30 0.06 0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1x67 h LYS 30 CO 0.00 -0.17 0.10 -1.12 -2.27 0.00 0.00 179.45 175.99 1x67 s SER 31 N -5.02 5.95 -0.76 4.20 0.01 -1.17 -5.01 113.70 111.90 1x67 s SER 31 Ca -0.15 0.75 -0.26 0.00 1.31 0.00 0.00 55.95 57.61 1x67 s SER 31 Cb 0.12 -1.94 0.04 0.00 0.21 0.00 0.00 66.02 64.45 1x67 s SER 31 CO 0.68 -0.78 1.24 -2.16 0.41 0.00 0.00 173.24 172.63 1x67 s PRO 32 N -4.81 3.23 -0.30 12.44 0.04 -1.26 -4.93 135.00 139.42 1x67 s PRO 32 Ca 0.50 -0.48 -0.04 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 0.44 -2.09 0.66 0.99 0.04 0.00 0.00 177.00 177.04 1x67 s THR 33 N 5.28 -0.93 -0.16 1.26 2.01 -1.26 -4.49 115.64 117.35 1x67 s THR 33 Ca 0.34 0.00 0.16 0.00 0.31 0.00 0.00 61.69 62.50 1x67 s THR 33 Cb -0.09 -1.00 -0.23 0.00 0.01 0.00 0.00 72.50 71.20 1x67 s THR 33 CO 0.11 0.00 0.09 -0.67 -0.69 0.00 0.00 174.62 173.46 1x67 n ASP 34 N 5.42 0.60 -3.46 3.53 -0.08 -0.40 -4.42 116.55 117.74 1x67 n ASP 34 Ca -0.04 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.06 1x67 n ASP 34 Cb 0.51 1.02 -0.08 0.00 2.34 0.00 0.00 41.12 44.91 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 -2.51 1.57 -0.30 -0.67 1.48 -0.98 -1.50 118.94 116.03 1x67 s TRP 35 Ca -0.09 -1.57 -0.14 0.00 -1.06 0.00 0.00 56.10 53.25 1x67 s TRP 35 Cb 0.06 -0.59 0.16 0.00 -1.16 0.00 0.00 33.47 31.93 1x67 s TRP 35 CO 0.74 -0.88 0.93 0.00 -4.06 0.00 0.00 176.95 173.67 1x67 s ALA 36 N -3.49 -2.60 -0.04 2.67 0.00 -0.85 -3.77 121.76 113.68 1x67 s ALA 36 Ca 0.39 2.09 -0.03 0.00 0.00 0.00 0.00 51.96 54.40 1x67 s ALA 36 Cb 0.03 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1x67 s ALA 36 CO 0.24 -0.96 0.15 -0.51 0.00 0.00 0.00 175.76 174.67 1x67 s LEU 37 N 2.54 4.26 -0.13 0.00 1.43 0.61 -1.93 118.68 125.46 1x67 s LEU 37 Ca -0.03 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1x67 s LEU 37 Cb -0.07 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.81 1x67 s LEU 37 CO -0.18 0.31 0.02 -0.36 0.23 0.00 0.00 176.35 176.37 1x67 s PHE 38 N -1.21 0.78 0.35 0.29 0.08 -0.80 -0.47 117.98 117.00 1x67 s PHE 38 Ca 0.23 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.89 1x67 s PHE 38 Cb -0.12 -0.89 -0.07 0.00 -0.57 0.00 0.00 43.02 41.37 1x67 s PHE 38 CO 0.13 -0.45 -0.02 -0.08 -0.10 0.00 0.00 175.22 174.70 1x67 s THR 39 N 1.94 1.83 1.05 0.64 -1.32 -0.07 -1.64 115.64 118.08 1x67 s THR 39 Ca 0.02 -2.08 -0.12 0.00 -1.21 0.00 0.00 61.69 58.30 1x67 s THR 39 Cb -0.14 -2.75 0.22 0.00 -1.51 0.00 0.00 72.50 68.31 1x67 s THR 39 CO -0.07 -0.12 1.07 -0.31 -2.21 0.00 0.00 174.62 172.99 1x67 s TYR 40 N -2.86 1.83 0.00 9.09 1.51 -1.26 -0.11 117.35 125.54 1x67 s TYR 40 Ca 0.33 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.48 1x67 s TYR 40 Cb 0.06 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.72 1x67 s TYR 40 CO 0.16 -3.23 0.19 0.39 -1.11 0.00 0.00 175.55 171.94 1x67 n GLU 41 N -4.44 0.00 0.00 -0.62 1.02 -0.89 -4.69 120.64 111.02 1x67 n GLU 41 Ca 0.05 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1x67 n GLU 41 Cb 0.56 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 1.49 -0.33 2.47 0.62 0.00 -1.26 -4.96 105.19 103.22 1x67 n GLY 42 Ca 0.00 0.80 -0.20 0.00 0.00 0.00 0.00 46.02 46.61 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 -5.67 -3.63 1.61 2.85 -1.26 -4.94 115.26 104.21 1x67 n ASN 43 Ca 0.00 0.19 -0.15 0.00 -0.11 0.00 0.00 54.58 54.51 1x67 n ASN 43 Cb 0.00 -4.83 -0.07 0.00 1.24 0.00 0.00 39.78 36.12 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1x67 s SER 44 N -2.31 -0.53 -0.48 1.20 1.04 -1.26 -5.12 113.70 106.25 1x67 s SER 44 Ca 0.00 0.71 -0.28 0.00 0.48 0.00 0.00 55.95 56.85 1x67 s SER 44 Cb 0.00 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1x67 s SER 44 CO 0.00 -0.44 1.38 0.20 0.98 0.00 0.00 173.24 175.37 1x67 s ASN 45 N -0.75 6.29 -0.30 7.02 0.01 -1.26 -4.14 114.94 121.81 1x67 s ASN 45 Ca -0.08 0.58 -0.14 0.00 -0.71 0.00 0.00 52.86 52.51 1x67 s ASN 45 Cb -0.03 -2.54 0.19 0.00 0.41 0.00 0.00 41.25 39.28 1x67 s ASN 45 CO 0.06 -1.52 1.15 -1.81 -1.51 0.00 0.00 177.10 173.47 1x67 s ASP 46 N 3.98 -0.07 0.24 -1.22 1.01 -1.26 -4.37 116.67 114.97 1x67 s ASP 46 Ca 0.57 -0.02 -0.30 0.00 0.71 0.00 0.00 52.55 53.50 1x67 s ASP 46 Cb -0.12 0.44 -0.10 0.00 1.01 0.00 0.00 42.92 44.15 1x67 s ASP 46 CO 0.30 -0.01 1.48 -0.63 0.21 0.00 0.00 175.17 176.52 1x67 s ILE 47 N 2.36 2.59 0.07 0.77 -1.09 -1.15 -2.10 121.20 122.66 1x67 s ILE 47 Ca 0.21 0.48 -0.08 0.00 -2.23 0.00 0.00 60.65 59.03 1x67 s ILE 47 Cb 0.03 -3.31 -0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1x67 s ILE 47 CO -0.19 0.07 0.16 0.00 -1.23 0.00 0.00 174.94 173.75 1x67 s ARG 48 N -0.07 0.76 0.43 2.79 1.70 0.84 -4.64 118.95 120.77 1x67 s ARG 48 Ca 0.62 -0.89 -0.24 0.00 -0.47 0.00 0.00 55.73 54.75 1x67 s ARG 48 Cb -0.43 0.31 -0.11 0.00 -0.57 0.00 0.00 34.95 34.15 1x67 s ARG 48 CO 0.41 -0.23 0.94 0.28 -1.08 0.00 0.00 175.30 175.62 1x67 n VAL 49 N 0.20 2.41 0.00 4.99 0.31 -1.26 -0.89 118.33 124.09 1x67 n VAL 49 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1x67 n VAL 49 Cb 0.61 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 -0.60 1.93 -3.62 3.52 0.00 0.38 -4.62 120.51 117.49 1x67 n ALA 50 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1x67 n ALA 50 Cb 0.39 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.30 0.00 -0.13 0.00 0.00 -1.17 -4.96 107.32 97.76 1x67 s GLY 51 Ca 0.00 2.70 -0.12 0.00 0.00 0.00 0.00 44.72 47.30 1x67 s GLY 51 CO 0.00 1.32 0.35 -0.51 0.00 0.00 0.00 173.10 174.26 1x67 s THR 52 N -0.71 -0.00 0.05 0.90 -4.23 -1.26 -0.29 115.64 110.10 1x67 s THR 52 Ca 0.05 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.28 1x67 s THR 52 Cb -0.02 -0.49 0.10 0.00 1.34 0.00 0.00 72.50 73.43 1x67 s THR 52 CO -0.06 0.00 1.12 -0.83 -0.54 0.00 0.00 174.62 174.31 1x67 s GLY 53 N 0.20 -0.33 -0.34 3.99 0.00 -1.25 -5.03 107.32 104.57 1x67 s GLY 53 Ca -0.00 0.52 0.09 0.00 0.00 0.00 0.00 44.72 45.32 1x67 s GLY 53 CO 0.00 0.10 1.74 -2.21 0.00 0.00 0.00 173.10 172.74 1x67 n GLU 54 N -0.45 2.97 0.19 2.90 2.13 -1.26 -1.28 120.64 125.84 1x67 n GLU 54 Ca -0.07 -3.07 0.06 0.00 0.66 0.00 0.00 57.16 54.75 1x67 n GLU 54 Cb 0.62 -2.11 0.28 0.00 0.27 0.00 0.00 31.44 30.50 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 1.89 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.87 1x67 h GLY 55 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1x67 h GLY 55 CO 0.72 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.87 1x67 n GLY 56 N 0.52 0.15 0.12 4.60 0.00 -1.26 -4.52 105.19 104.79 1x67 n GLY 56 Ca 0.01 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1x67 n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x67 h LEU 57 N 0.00 0.00 -0.95 0.99 3.38 -1.96 -2.96 115.31 113.81 1x67 h LEU 57 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 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 0.60 -0.24 -0.33 0.09 0.00 0.00 178.44 178.56 1x67 h GLU 58 N 0.00 0.49 0.01 1.13 5.08 -1.96 -2.72 114.58 116.61 1x67 h GLU 58 Ca -0.05 -0.18 -0.24 0.00 -1.00 0.00 0.00 59.36 57.89 1x67 h GLU 58 Cb 1.50 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 1x67 h GLU 58 CO 0.07 0.69 -1.25 1.49 -1.00 0.00 0.00 179.01 179.01 1x67 h GLU 59 N 0.43 0.02 0.64 2.33 4.57 -1.79 -3.05 114.58 117.73 1x67 h GLU 59 Ca 0.07 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1x67 h GLU 59 Cb 0.65 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1x67 h GLU 59 CO 0.05 0.85 -0.31 1.98 -1.18 0.00 0.00 179.01 180.40 1x67 h MET 60 N 0.00 -0.83 0.00 1.92 4.05 -1.35 -2.71 114.93 116.03 1x67 h MET 60 Ca -0.11 0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1x67 h MET 60 Cb 1.86 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 32.84 1x67 h MET 60 CO 0.12 -0.54 -0.19 -0.39 0.23 0.00 0.00 176.91 176.14 1x67 h VAL 61 N -0.88 0.64 -0.26 -5.77 -1.51 -1.64 -2.63 116.25 104.20 1x67 h VAL 61 Ca -0.09 -0.83 0.08 0.00 -1.23 0.00 0.00 66.70 64.63 1x67 h VAL 61 Cb 0.66 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 1x67 h VAL 61 CO 0.14 0.18 0.28 -0.33 -1.23 0.00 0.00 177.57 176.61 1x67 h GLU 62 N 0.00 0.00 0.00 5.19 4.39 -1.36 -0.04 114.58 122.76 1x67 h GLU 62 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1x67 h GLU 62 Cb 0.52 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1x67 h GLU 62 CO 0.02 0.00 -1.86 0.39 -1.16 0.00 0.00 179.01 176.41 1x67 n GLU 63 N -3.83 0.65 -1.69 2.33 -0.58 -1.00 -4.92 120.64 111.60 1x67 n GLU 63 Ca 0.04 0.09 -0.52 0.00 -0.42 0.00 0.00 57.16 56.34 1x67 n GLU 63 Cb 0.42 -1.67 -0.06 0.00 -0.57 0.00 0.00 31.44 29.56 1x67 n GLU 63 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1x67 n LEU 64 N -2.76 2.97 -4.54 -4.62 4.77 -0.03 -4.94 117.00 107.84 1x67 n LEU 64 Ca -0.17 0.99 -0.35 0.00 -0.03 0.00 0.00 56.01 56.45 1x67 n LEU 64 Cb 0.93 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1x67 n LEU 64 CO 0.44 -0.23 -0.27 0.21 -1.33 0.00 0.00 177.39 176.20 1x67 s ASN 65 N 4.02 5.34 -0.72 -1.43 2.47 -1.26 -5.02 114.94 118.35 1x67 s ASN 65 Ca 0.96 -0.07 -0.26 0.00 0.42 0.00 0.00 52.86 53.91 1x67 s ASN 65 Cb -0.86 -1.93 -0.01 0.00 -1.45 0.00 0.00 41.25 37.00 1x67 s ASN 65 CO 0.58 0.07 1.75 -0.94 -3.72 0.00 0.00 177.10 174.84 1x67 s SER 66 N 0.97 5.48 0.00 -4.21 1.04 -1.26 -2.84 113.70 112.88 1x67 s SER 66 Ca 0.04 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1x67 s SER 66 Cb -0.14 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1x67 s SER 66 CO 0.03 -2.30 0.00 0.61 0.98 0.00 0.00 173.24 172.56 1x67 n GLY 67 N 5.95 0.51 3.19 7.32 0.00 -1.26 -4.61 105.19 116.29 1x67 n GLY 67 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 2.65 -0.14 1.61 1.02 -1.13 -4.36 119.74 119.40 1x67 s LYS 68 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 1x67 s LYS 68 Cb 0.00 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1x67 s LYS 68 CO 0.00 0.18 1.56 0.08 -0.92 0.00 0.00 175.35 176.26 1x67 s VAL 69 N 0.31 3.76 0.39 3.17 1.01 -1.26 -4.40 120.40 123.38 1x67 s VAL 69 Ca -0.15 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.77 1x67 s VAL 69 Cb -0.17 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1x67 s VAL 69 CO 0.07 -0.17 0.15 -0.04 0.00 0.00 0.00 175.10 175.11 1x67 s MET 70 N 4.18 1.89 -0.07 2.72 -1.94 -1.15 -4.37 119.30 120.56 1x67 s MET 70 Ca 0.69 -2.14 0.01 0.00 -1.71 0.00 0.00 55.69 52.54 1x67 s MET 70 Cb -0.28 -0.47 0.02 0.00 2.01 0.00 0.00 34.83 36.11 1x67 s MET 70 CO 0.26 -0.49 -0.07 0.71 -0.01 0.00 0.00 175.02 175.42 1x67 s TYR 71 N -3.26 1.13 -0.18 -0.03 1.51 -0.65 -2.43 117.35 113.44 1x67 s TYR 71 Ca 0.27 -0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1x67 s TYR 71 Cb 0.03 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1x67 s TYR 71 CO 0.16 -0.31 0.05 0.00 -1.11 0.00 0.00 175.55 174.34 1x67 s ALA 72 N 1.17 3.35 -0.33 3.71 0.00 -1.12 -1.91 121.76 126.63 1x67 s ALA 72 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1x67 s ALA 72 Cb -0.14 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.20 1x67 s ALA 72 CO -0.02 0.15 0.10 0.12 0.00 0.00 0.00 175.76 176.12 1x67 s PHE 73 N 0.43 2.17 0.23 0.00 5.36 -0.81 -2.38 117.98 122.98 1x67 s PHE 73 Ca 0.02 -2.08 0.07 0.00 -0.96 0.00 0.00 56.93 53.98 1x67 s PHE 73 Cb -0.13 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 1x67 s PHE 73 CO 0.01 -0.88 0.17 0.00 -1.46 0.00 0.00 175.22 173.05 1x67 s ARG 75 N -3.68 1.17 0.03 0.00 3.52 -0.56 -2.41 118.95 117.02 1x67 s ARG 75 Ca 0.32 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 1x67 s ARG 75 Cb -0.08 -2.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1x67 s ARG 75 CO 0.24 -0.62 -0.08 0.14 -0.81 0.00 0.00 175.30 174.17 1x67 s VAL 76 N 1.61 0.62 0.27 7.11 -7.23 -0.74 -4.89 120.40 117.14 1x67 s VAL 76 Ca -0.04 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 1x67 s VAL 76 Cb -0.18 -0.62 -0.09 0.00 0.56 0.00 0.00 36.38 36.05 1x67 s VAL 76 CO -0.07 -0.16 1.02 -1.59 -0.31 0.00 0.00 175.10 173.99 1x67 s LYS 77 N -1.07 4.72 0.82 4.82 -2.85 -1.26 -0.11 119.74 124.81 1x67 s LYS 77 Ca -0.04 1.63 -0.11 0.00 -1.00 0.00 0.00 55.97 56.45 1x67 s LYS 77 Cb -0.07 -3.19 0.09 0.00 -2.06 0.00 0.00 37.83 32.59 1x67 s LYS 77 CO 0.00 0.34 1.09 -0.51 0.10 0.00 0.00 175.35 176.38 1x67 s ASP 78 N -1.07 4.12 -0.04 0.03 1.11 -0.78 -4.86 116.67 115.18 1x67 s ASP 78 Ca 0.44 1.62 -0.24 0.00 0.18 0.00 0.00 52.55 54.54 1x67 s ASP 78 Cb -0.28 -2.33 -0.22 0.00 1.07 0.00 0.00 42.92 41.16 1x67 s ASP 78 CO 0.36 -2.25 1.10 1.55 1.18 0.00 0.00 175.17 177.11 1x67 h PRO 79 N -1.28 0.15 0.00 8.23 0.13 -1.93 -2.61 132.00 134.70 1x67 h PRO 79 Ca -0.46 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.46 1x67 h PRO 79 Cb 1.25 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1x67 h PRO 79 CO 0.54 0.81 -0.59 -0.91 -0.23 0.00 0.00 178.00 177.62 1x67 h ASN 80 N -0.47 0.00 -0.78 1.44 2.35 -1.94 -3.37 115.58 112.81 1x67 h ASN 80 Ca -0.01 -0.32 0.10 0.00 -0.55 0.00 0.00 56.30 55.51 1x67 h ASN 80 Cb 0.85 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.15 1x67 h ASN 80 CO 0.03 0.99 0.42 0.28 -1.65 0.00 0.00 177.43 177.51 1x67 h SER 81 N -1.00 0.58 -0.45 5.81 0.02 -1.98 -3.45 113.55 113.08 1x67 h SER 81 Ca -0.11 0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 1x67 h SER 81 Cb 0.76 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.17 1x67 h SER 81 CO -0.07 0.33 -0.18 0.61 -1.14 0.00 0.00 176.83 176.38 1x67 n GLY 82 N -1.31 1.11 3.34 -3.77 0.00 -0.98 -4.95 105.19 98.62 1x67 n GLY 82 Ca 0.13 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.16 2.39 -0.07 0.99 1.43 -1.26 -4.79 118.68 115.22 1x67 s LEU 83 Ca 0.00 -0.80 -0.37 0.00 -1.03 0.00 0.00 54.13 51.93 1x67 s LEU 83 Cb 0.00 -0.92 -0.14 0.00 0.03 0.00 0.00 46.19 45.15 1x67 s LEU 83 CO 0.00 0.03 1.67 -2.65 0.23 0.00 0.00 176.35 175.63 1x67 n PRO 84 N 0.56 1.63 -5.11 1.29 -0.02 -1.26 -1.87 135.00 130.22 1x67 n PRO 84 Ca -0.15 0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 1x67 n PRO 84 Cb 0.56 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1x67 n PRO 84 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1x67 s LYS 85 N 2.58 2.56 0.04 -0.52 -0.14 0.84 -4.90 119.74 120.20 1x67 s LYS 85 Ca 0.90 -0.80 -0.14 0.00 -1.36 0.00 0.00 55.97 54.57 1x67 s LYS 85 Cb -0.86 -2.05 -0.06 0.00 -1.68 0.00 0.00 37.83 33.18 1x67 s LYS 85 CO 0.53 0.24 0.44 -0.06 -0.76 0.00 0.00 175.35 175.73 1x67 s PHE 86 N 0.17 3.70 0.03 3.18 0.08 -1.26 -1.80 117.98 122.09 1x67 s PHE 86 Ca -0.11 1.00 0.06 0.00 0.12 0.00 0.00 56.93 57.99 1x67 s PHE 86 Cb -0.15 -2.30 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1x67 s PHE 86 CO 0.06 0.59 -0.19 0.08 -0.10 0.00 0.00 175.22 175.66 1x67 s VAL 87 N -1.19 1.48 -0.12 -0.44 1.01 -1.01 -0.12 120.40 120.01 1x67 s VAL 87 Ca 0.28 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1x67 s VAL 87 Cb -0.16 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1x67 s VAL 87 CO 0.16 0.19 -0.21 -0.22 0.00 0.00 0.00 175.10 175.01 1x67 s LEU 88 N -1.03 2.04 -0.08 3.92 1.98 -0.81 -3.56 118.68 121.14 1x67 s LEU 88 Ca 0.06 -0.56 0.04 0.00 -2.89 0.00 0.00 54.13 50.78 1x67 s LEU 88 Cb -0.08 -1.37 -0.00 0.00 0.66 0.00 0.00 46.19 45.40 1x67 s LEU 88 CO 0.01 0.09 -0.21 -0.63 -1.89 0.00 0.00 176.35 173.72 1x67 s ILE 89 N 0.69 1.82 -1.14 6.68 1.01 -1.00 -1.42 121.20 127.84 1x67 s ILE 89 Ca -0.11 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1x67 s ILE 89 Cb -0.16 -1.57 0.26 0.00 0.01 0.00 0.00 42.46 41.00 1x67 s ILE 89 CO 0.01 0.51 1.39 0.59 0.00 0.00 0.00 174.94 177.44 1x67 n ASN 90 N 3.40 5.79 -4.67 3.58 3.02 -0.68 -2.77 115.26 122.92 1x67 n ASN 90 Ca -0.19 -3.18 -0.49 0.00 -0.03 0.00 0.00 54.58 50.69 1x67 n ASN 90 Cb 0.53 -1.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.27 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 2.66 2.18 -3.44 3.10 -0.00 -1.02 -3.94 117.44 116.99 1x67 n TRP 91 Ca 0.28 0.24 -0.27 0.00 -0.00 0.00 0.00 57.50 57.75 1x67 n TRP 91 Cb 0.37 -2.55 -0.11 0.00 -0.00 0.00 0.00 31.31 29.01 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 2.22 0.10 0.46 5.87 2.01 -1.18 -2.93 115.64 122.18 1x67 s THR 92 Ca 0.86 -1.74 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 1x67 s THR 92 Cb -0.75 -1.07 -0.10 0.00 0.01 0.00 0.00 72.50 70.59 1x67 s THR 92 CO 0.46 -0.97 0.93 0.61 -0.69 0.00 0.00 174.62 174.96 1x67 n GLY 93 N 3.91 -0.43 0.21 4.40 0.00 -1.26 -4.42 105.19 107.61 1x67 n GLY 93 Ca 0.14 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.31 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 1.23 0.00 -0.01 1.61 4.11 -1.87 -2.75 114.58 116.89 1x67 h GLU 94 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1x67 h GLU 94 Cb 1.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1x67 h GLU 94 CO 0.55 0.29 0.07 0.78 0.07 0.00 0.00 179.01 180.76 1x67 h GLY 95 N 1.47 0.00 -4.86 1.06 0.00 -1.87 -3.41 103.07 95.45 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 0.04 0.00 0.72 0.14 0.00 0.00 0.00 176.54 177.44 1x67 s VAL 96 N -4.24 4.39 1.23 4.60 1.01 -1.04 -4.99 120.40 121.37 1x67 s VAL 96 Ca -0.05 1.70 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 1x67 s VAL 96 Cb 0.13 -4.09 0.26 0.00 0.00 0.00 0.00 36.38 32.67 1x67 s VAL 96 CO 0.42 -0.04 0.57 -0.46 0.00 0.00 0.00 175.10 175.59 1x67 n ASN 97 N 5.51 -3.06 0.06 3.32 6.94 -1.26 -4.75 115.26 122.01 1x67 n ASN 97 Ca 0.11 -0.47 -0.21 0.00 -0.02 0.00 0.00 54.58 54.00 1x67 n ASN 97 Cb 0.46 -0.97 -0.13 0.00 -2.36 0.00 0.00 39.78 36.78 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 -2.91 0.67 -0.32 0.53 3.32 -1.95 -2.52 116.42 113.24 1x67 h ASP 98 Ca -0.43 -0.85 0.09 0.00 0.02 0.00 0.00 57.03 55.86 1x67 h ASP 98 Cb 1.18 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1x67 h ASP 98 CO 0.30 1.45 0.29 0.58 -1.72 0.00 0.00 179.24 180.14 1x67 h VAL 99 N -0.02 0.56 0.14 -1.35 2.07 -2.01 -1.47 116.25 114.17 1x67 h VAL 99 Ca -0.15 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.01 1x67 h VAL 99 Cb 1.69 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1x67 h VAL 99 CO 0.18 0.00 -1.90 -0.09 0.02 0.00 0.00 177.57 175.78 1x67 h ARG 100 N 0.00 0.30 -0.88 1.57 9.65 -1.91 -3.25 114.38 119.86 1x67 h ARG 100 Ca 0.15 -0.52 0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1x67 h ARG 100 Cb 0.73 0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 29.44 1x67 h ARG 100 CO -0.00 1.23 0.58 0.87 2.80 0.00 0.00 179.97 185.45 1x67 h LYS 101 N 0.08 0.46 0.00 0.20 1.57 -0.82 0.33 116.57 118.39 1x67 h LYS 101 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1x67 h LYS 101 Cb 2.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1x67 h LYS 101 CO 0.12 0.31 -0.43 0.78 -0.57 0.00 0.00 179.45 179.66 1x67 h GLY 102 N 0.48 0.00 1.26 3.86 0.00 -1.59 -3.06 103.07 104.02 1x67 h GLY 102 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.64 1x67 h GLY 102 CO -0.18 0.00 -1.15 0.00 0.00 0.00 0.00 176.54 175.21 1x67 h ALA 103 N 2.03 0.65 0.00 3.60 0.00 -0.65 -3.34 119.26 121.56 1x67 h ALA 103 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 1x67 h ALA 103 Cb 0.98 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1x67 h ALA 103 CO 0.00 0.79 -1.00 0.00 0.00 0.00 0.00 179.25 179.05 1x67 h ALA 105 N 1.39 1.45 -0.27 0.00 0.00 -1.65 -1.72 119.26 118.47 1x67 h ALA 105 Ca -0.08 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1x67 h ALA 105 Cb 1.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1x67 h ALA 105 CO 0.07 0.45 0.24 1.03 0.00 0.00 0.00 179.25 181.03 1x67 h SER 106 N 0.78 0.00 1.11 0.00 0.87 -1.71 0.17 113.55 114.77 1x67 h SER 106 Ca 0.20 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 1x67 h SER 106 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1x67 h SER 106 CO -0.03 0.00 -0.68 0.45 -0.53 0.00 0.00 176.83 176.04 1x67 h HIS 107 N 0.00 0.00 -0.64 2.24 3.86 -1.51 -3.23 115.15 115.86 1x67 h HIS 107 Ca 0.13 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1x67 h HIS 107 Cb 0.61 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 1x67 h HIS 107 CO 0.00 0.68 0.43 0.28 0.86 0.00 0.00 177.93 180.18 1x67 h VAL 108 N 0.00 0.98 -0.69 2.45 2.07 -0.66 0.20 116.25 120.60 1x67 h VAL 108 Ca -0.01 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1x67 h VAL 108 Cb 1.42 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1x67 h VAL 108 CO 0.09 0.11 0.38 0.28 0.02 0.00 0.00 177.57 178.44 1x67 h SER 109 N 0.60 0.84 0.07 0.57 0.02 -1.59 0.19 113.55 114.25 1x67 h SER 109 Ca 0.28 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1x67 h SER 109 Cb 0.34 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.67 1x67 h SER 109 CO -0.09 0.68 -0.42 0.74 -1.14 0.00 0.00 176.83 176.61 1x67 h THR 110 N 0.96 1.64 -0.94 -2.27 2.02 -1.37 -3.31 112.91 109.63 1x67 h THR 110 Ca 0.24 -2.43 0.01 0.00 0.77 0.00 0.00 66.41 65.00 1x67 h THR 110 Cb 0.02 3.28 -0.05 0.00 -1.74 0.00 0.00 68.15 69.66 1x67 h THR 110 CO -0.04 0.65 0.62 0.24 0.37 0.00 0.00 175.52 177.37 1x67 h MET 111 N -0.71 1.24 -0.65 6.66 2.07 -0.92 -2.46 114.93 120.16 1x67 h MET 111 Ca -0.08 -0.08 0.12 0.00 -2.07 0.00 0.00 59.70 57.60 1x67 h MET 111 Cb 1.31 -0.28 -0.09 0.00 -1.87 0.00 0.00 31.60 30.67 1x67 h MET 111 CO 0.06 0.82 0.19 0.00 1.07 0.00 0.00 176.91 179.05 1x67 h ALA 112 N 1.41 0.82 -0.35 6.32 0.00 -0.73 -0.43 119.26 126.31 1x67 h ALA 112 Ca 0.34 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1x67 h ALA 112 Cb -0.15 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1x67 h ALA 112 CO -0.07 -0.27 0.06 0.77 0.00 0.00 0.00 179.25 179.74 1x67 h SER 113 N 0.32 0.55 0.01 0.00 0.02 -1.54 -3.16 113.55 109.76 1x67 h SER 113 Ca 0.35 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1x67 h SER 113 Cb 0.51 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1x67 h SER 113 CO -0.40 0.66 -0.19 0.15 -1.14 0.00 0.00 176.83 175.91 1x67 h PHE 114 N 0.41 -0.49 -0.78 3.45 3.57 -1.00 -2.78 116.94 119.31 1x67 h PHE 114 Ca 0.11 0.02 -0.59 0.00 3.53 0.00 0.00 57.97 61.04 1x67 h PHE 114 Cb 0.34 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.19 1x67 h PHE 114 CO 0.02 -0.27 1.70 1.28 -2.23 0.00 0.00 178.31 178.81 1x67 n LEU 115 N -5.32 7.34 -4.47 0.59 4.77 -0.27 -4.97 117.00 114.68 1x67 n LEU 115 Ca -0.05 -4.34 -0.29 0.00 -0.03 0.00 0.00 56.01 51.30 1x67 n LEU 115 Cb 0.23 -1.36 0.25 0.00 -2.33 0.00 0.00 43.42 40.21 1x67 n LEU 115 CO 0.25 1.92 0.51 -0.54 -1.33 0.00 0.00 177.39 178.20 1x67 s LYS 116 N -0.48 -1.39 0.00 3.23 -0.14 -1.05 -3.88 119.74 116.03 1x67 s LYS 116 Ca 0.60 0.52 0.00 0.00 -1.36 0.00 0.00 55.97 55.72 1x67 s LYS 116 Cb 0.26 -1.53 0.00 0.00 -1.68 0.00 0.00 37.83 34.88 1x67 s LYS 116 CO -0.11 -3.95 0.00 0.41 -0.76 0.00 0.00 175.35 170.93 1x67 n GLY 117 N 0.58 3.05 3.51 -3.33 0.00 -1.26 -4.98 105.19 102.75 1x67 n GLY 117 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1x67 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x67 n ALA 118 N -1.17 0.76 0.20 4.61 0.00 -1.25 -4.27 120.51 119.38 1x67 n ALA 118 Ca 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 53.44 53.02 1x67 n ALA 118 Cb 0.00 -2.75 0.38 0.00 0.00 0.00 0.00 19.45 17.09 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 15.27 0.00 -3.35 0.00 3.86 -0.89 -3.44 115.15 126.59 1x67 h HIS 119 Ca -0.20 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.79 1x67 h HIS 119 Cb 1.30 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.47 1x67 h HIS 119 CO 1.00 0.34 -0.59 0.08 0.86 0.00 0.00 177.93 179.61 1x67 s VAL 120 N -3.71 -0.03 -0.04 2.45 1.01 -1.22 -5.07 120.40 113.79 1x67 s VAL 120 Ca -0.00 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1x67 s VAL 120 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1x67 s VAL 120 CO 0.68 0.04 -0.10 -0.89 0.00 0.00 0.00 175.10 174.82 1x67 s THR 121 N 0.65 3.40 -0.03 3.92 2.01 -1.26 -1.93 115.64 122.40 1x67 s THR 121 Ca -0.05 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1x67 s THR 121 Cb -0.07 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.08 1x67 s THR 121 CO -0.03 0.55 0.08 -0.63 -0.69 0.00 0.00 174.62 173.90 1x67 s ILE 122 N -0.81 -0.03 -0.74 1.82 1.01 -0.51 -4.99 121.20 116.94 1x67 s ILE 122 Ca 0.13 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 1x67 s ILE 122 Cb -0.11 -0.13 0.19 0.00 0.01 0.00 0.00 42.46 42.42 1x67 s ILE 122 CO 0.02 0.04 0.62 0.20 0.00 0.00 0.00 174.94 175.82 1x67 s ASN 123 N 0.63 5.93 0.63 3.58 0.01 -1.26 -1.69 114.94 122.78 1x67 s ASN 123 Ca -0.05 -2.92 0.06 0.00 -0.71 0.00 0.00 52.86 49.24 1x67 s ASN 123 Cb -0.07 -2.00 0.11 0.00 0.41 0.00 0.00 41.25 39.70 1x67 s ASN 123 CO -0.02 -0.42 0.87 0.00 -1.51 0.00 0.00 177.10 176.01 1x67 n ALA 124 N 3.51 0.84 0.00 0.60 0.00 -1.25 -4.96 120.51 119.24 1x67 n ALA 124 Ca 0.12 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1x67 n ALA 124 Cb 0.41 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.47 0.00 -3.34 0.00 1.74 -1.26 -3.11 116.66 108.22 1x67 n ARG 125 Ca 0.16 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.05 1x67 n ARG 125 Cb 0.59 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 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 4.22 0.29 7.54 0.00 -1.26 -4.02 121.76 127.28 1x67 s ALA 126 Ca 0.00 -1.44 0.23 0.00 0.00 0.00 0.00 51.96 50.74 1x67 s ALA 126 Cb 0.00 -1.73 1.08 0.00 0.00 0.00 0.00 23.12 22.47 1x67 s ALA 126 CO 0.00 -0.12 1.91 0.93 0.00 0.00 0.00 175.76 178.49 1x67 h GLU 127 N 0.79 0.00 0.00 0.00 5.08 -1.97 -2.38 114.58 116.11 1x67 h GLU 127 Ca -0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 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 0.23 -0.26 1.05 -1.00 0.00 0.00 179.01 179.55 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 0.58 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 1x67 h GLU 128 CO 0.03 0.26 0.27 -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 -0.89 -3.98 116.55 122.57 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 0.71 0.00 0.00 54.79 52.49 1x67 n ASP 129 Cb 0.49 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x67 n VAL 130 N -0.17 0.00 -1.77 2.53 0.24 -1.10 -4.64 118.33 113.41 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 0.04 0.00 -1.47 0.00 0.00 33.84 34.19 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 2.95 0.17 7.34 8.01 -1.23 -4.84 118.70 131.10 1x67 s GLU 131 Ca 0.10 0.66 -0.23 0.00 0.01 0.00 0.00 54.97 55.51 1x67 s GLU 131 Cb 0.12 -2.02 0.06 0.00 -4.31 0.00 0.00 34.13 27.99 1x67 s GLU 131 CO -0.05 -1.01 1.60 -1.35 0.01 0.00 0.00 175.26 174.45 1x67 h PRO 132 N -0.64 -0.23 -0.43 0.39 0.11 -1.94 0.03 132.00 129.28 1x67 h PRO 132 Ca -0.45 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1x67 h PRO 132 Cb 1.23 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1x67 h PRO 132 CO 0.61 -0.16 -0.08 1.05 -0.21 0.00 0.00 178.00 179.21 1x67 h GLU 133 N -0.24 0.74 0.00 1.05 4.11 -1.97 0.20 114.58 118.47 1x67 h GLU 133 Ca 0.18 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1x67 h GLU 133 Cb 0.54 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1x67 h GLU 133 CO -0.56 0.81 -0.07 0.00 0.07 0.00 0.00 179.01 179.26 1x67 n ILE 135 N -3.91 1.58 0.24 0.00 5.41 -0.14 -4.17 119.36 118.37 1x67 n ILE 135 Ca -0.02 -0.36 0.13 0.00 1.00 0.00 0.00 62.75 63.49 1x67 n ILE 135 Cb 0.16 -1.82 0.75 0.00 -0.71 0.00 0.00 39.64 38.02 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 -0.60 0.00 0.00 0.38 2.86 -0.52 0.12 114.93 117.16 1x67 h MET 136 Ca -0.51 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.05 1x67 h MET 136 Cb 1.65 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.30 1x67 h MET 136 CO -0.19 0.00 -0.38 0.93 1.06 0.00 0.00 176.91 178.33 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 3.07 -1.29 -3.01 114.58 115.07 1x67 h GLU 137 Ca 0.04 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.69 1x67 h GLU 137 Cb 0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 1x67 h GLU 137 CO -0.00 0.38 -1.81 1.63 -1.40 0.00 0.00 179.01 177.80 1x67 n LYS 138 N -3.75 0.65 -0.04 2.33 4.76 -0.05 -4.12 118.16 117.94 1x67 n LYS 138 Ca -0.01 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1x67 n LYS 138 Cb 0.46 -1.68 0.30 0.00 -1.84 0.00 0.00 35.03 32.27 1x67 n LYS 138 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1x67 h VAL 139 N 0.00 1.19 0.00 -0.18 2.07 -0.75 -1.96 116.25 116.61 1x67 h VAL 139 Ca -0.25 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1x67 h VAL 139 Cb 1.70 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1x67 h VAL 139 CO 0.04 0.24 -0.36 0.00 0.02 0.00 0.00 177.57 177.51 1x67 h ALA 140 N 1.52 0.93 -1.66 1.67 0.00 -1.69 -3.44 119.26 116.59 1x67 h ALA 140 Ca 0.14 -0.32 -0.62 0.00 0.00 0.00 0.00 54.91 54.10 1x67 h ALA 140 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x67 h ALA 140 CO -0.00 0.45 1.47 0.45 0.00 0.00 0.00 179.25 181.61 1x67 n SER 141 N -3.43 2.85 -3.33 0.00 2.88 -0.74 -4.95 113.62 106.90 1x67 n SER 141 Ca 0.00 0.27 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1x67 n SER 141 Cb 0.53 -1.45 0.04 0.00 -0.75 0.00 0.00 64.21 62.58 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 6.06 1.66 3.49 0.46 0.00 -1.26 -4.97 105.19 110.63 1x67 n GLY 142 Ca 0.34 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.78 1x67 n GLY 142 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x67 n PRO 143 N -1.66 0.95 -2.80 1.61 -0.02 -1.26 -4.93 135.00 126.90 1x67 n PRO 143 Ca 0.08 0.18 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 1x67 n PRO 143 Cb 0.28 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.09 1x67 n PRO 143 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1x67 s SER 144 N 9.00 6.66 0.21 2.55 0.01 -1.26 -5.00 113.70 125.88 1x67 s SER 144 Ca 1.10 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.72 1x67 s SER 144 Cb -0.70 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.12 1x67 s SER 144 CO 0.42 -0.40 0.00 -1.54 0.41 0.00 0.00 173.24 172.13 1x67 n SER 145 N -1.06 0.19 0.00 2.44 3.41 -1.26 -5.32 113.62 112.02 1x67 n SER 145 Ca 0.04 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1x67 n SER 145 Cb 0.54 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1x67 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49