#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 3.25 0.00 1.61 0.01 -1.26 -5.00 113.70 112.31 1x67 s SER 2 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1x67 s SER 2 Cb 0.00 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1x67 s SER 2 CO 0.00 0.28 0.00 -1.54 0.41 0.00 0.00 173.24 172.39 1x67 n SER 3 N 2.74 0.00 0.00 2.44 3.41 -1.26 -5.14 113.62 115.81 1x67 n SER 3 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1x67 n SER 3 Cb 0.52 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.13 0.91 5.42 5.00 0.00 -1.26 -5.08 105.19 110.05 1x67 n GLY 4 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.00 1x67 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x67 n SER 5 N 0.03 -6.33 -1.98 1.61 7.64 -1.26 -5.01 113.62 108.32 1x67 n SER 5 Ca 0.00 0.42 -0.07 0.00 1.01 0.00 0.00 58.87 60.22 1x67 n SER 5 Cb 0.00 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.02 1x67 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x67 n SER 6 N -3.12 -0.63 0.00 6.43 7.64 -1.26 -5.18 113.62 117.50 1x67 n SER 6 Ca 0.00 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1x67 n SER 6 Cb 0.18 1.19 0.00 0.00 -1.01 0.00 0.00 64.21 64.56 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 -0.28 -2.74 2.32 0.23 0.00 -1.26 -5.01 105.19 98.44 1x67 n GLY 7 Ca 0.01 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 1x67 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x67 n MET 8 N -0.88 2.95 -4.31 1.61 2.81 -1.26 -4.97 117.12 113.06 1x67 n MET 8 Ca 0.00 -3.95 -0.24 0.00 -1.81 0.00 0.00 57.70 51.70 1x67 n MET 8 Cb 0.00 -2.04 -0.12 0.00 -0.71 0.00 0.00 33.22 30.35 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x67 s ALA 9 N -3.65 1.94 0.37 3.04 0.00 -1.26 -4.68 121.76 117.52 1x67 s ALA 9 Ca 0.43 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 1x67 s ALA 9 Cb 0.38 -0.26 -0.11 0.00 0.00 0.00 0.00 23.12 23.13 1x67 s ALA 9 CO 0.00 0.37 1.49 0.00 0.00 0.00 0.00 175.76 177.62 1x67 s ALA 10 N -1.31 3.58 -0.11 0.00 0.00 -1.26 -4.91 121.76 117.75 1x67 s ALA 10 Ca 0.09 1.57 -0.09 0.00 0.00 0.00 0.00 51.96 53.53 1x67 s ALA 10 Cb -0.09 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1x67 s ALA 10 CO 0.05 -1.05 -0.18 -1.71 0.00 0.00 0.00 175.76 172.87 1x67 n ASN 11 N 0.51 1.35 -2.05 0.00 5.15 -1.26 -4.96 115.26 113.99 1x67 n ASN 11 Ca 0.01 0.40 -0.17 0.00 -0.60 0.00 0.00 54.58 54.22 1x67 n ASN 11 Cb 0.39 -0.73 -0.03 0.00 -0.53 0.00 0.00 39.78 38.88 1x67 n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x67 n LEU 12 N -3.94 -1.46 -0.11 1.20 4.32 -1.26 -4.84 117.00 110.90 1x67 n LEU 12 Ca -0.07 0.21 -0.19 0.00 -0.02 0.00 0.00 56.01 55.94 1x67 n LEU 12 Cb 0.27 -2.54 -0.07 0.00 -1.62 0.00 0.00 43.42 39.46 1x67 n LEU 12 CO 0.11 -0.47 -0.86 -1.20 -1.22 0.00 0.00 177.39 173.75 1x67 n SER 13 N -1.54 1.90 -0.13 -1.43 7.64 -1.26 -3.41 113.62 115.39 1x67 n SER 13 Ca -0.19 0.41 -0.04 0.00 1.01 0.00 0.00 58.87 60.06 1x67 n SER 13 Cb 0.62 -0.85 0.03 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.05 -0.97 1.43 3.08 -1.93 -1.61 114.38 113.44 1x67 h ARG 14 Ca -0.34 -0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.05 1x67 h ARG 14 Cb 1.22 -0.01 -0.32 0.00 0.08 0.00 0.00 29.97 30.94 1x67 h ARG 14 CO -0.21 0.04 0.56 0.09 -1.07 0.00 0.00 179.97 179.38 1x67 n ASN 15 N -5.26 7.19 0.00 7.04 3.02 -1.26 -4.80 115.26 121.19 1x67 n ASN 15 Ca 0.03 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1x67 n ASN 15 Cb 0.24 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 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 -0.87 -2.84 0.31 7.41 0.00 -0.61 -0.86 105.19 107.73 1x67 n GLY 16 Ca 0.59 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.93 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 0.55 0.61 1.61 0.11 -1.87 -0.91 132.00 132.10 1x67 h PRO 17 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1x67 h PRO 17 Cb 0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1x67 h PRO 17 CO 0.00 0.36 -0.49 0.00 -0.21 0.00 0.00 178.00 177.66 1x67 h ALA 18 N 1.60 -1.20 0.07 -0.75 0.00 -1.89 0.23 119.26 117.32 1x67 h ALA 18 Ca 0.49 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1x67 h ALA 18 Cb 0.77 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1x67 h ALA 18 CO -0.41 -1.20 -0.25 -0.07 0.00 0.00 0.00 179.25 177.33 1x67 h LEU 19 N -1.06 -0.72 -0.84 0.00 3.38 -0.58 -2.03 115.31 113.46 1x67 h LEU 19 Ca -0.08 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1x67 h LEU 19 Cb 0.89 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1x67 h LEU 19 CO 0.01 -0.33 0.44 -0.61 0.09 0.00 0.00 178.44 178.03 1x67 h GLN 20 N -0.42 0.62 -0.03 1.13 4.15 -1.10 -1.85 115.11 117.61 1x67 h GLN 20 Ca 0.04 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1x67 h GLN 20 Cb 0.47 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 1x67 h GLN 20 CO -0.18 0.41 -0.23 1.49 -1.93 0.00 0.00 178.83 178.40 1x67 h GLU 21 N 0.64 -0.33 -0.03 1.69 4.81 0.16 0.27 114.58 121.79 1x67 h GLU 21 Ca 0.45 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 1x67 h GLU 21 Cb 0.60 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1x67 h GLU 21 CO -0.34 -0.22 0.04 0.00 -0.73 0.00 0.00 179.01 177.75 1x67 h ALA 22 N 0.54 1.56 0.00 2.92 0.00 -0.86 -0.22 119.26 123.20 1x67 h ALA 22 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1x67 h ALA 22 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1x67 h ALA 22 CO -0.23 -0.05 -0.98 -0.92 0.00 0.00 0.00 179.25 177.06 1x67 h TYR 23 N 0.00 0.00 0.00 0.00 3.20 -0.38 -3.13 116.97 116.66 1x67 h TYR 23 Ca 0.02 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 1x67 h TYR 23 Cb 0.09 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1x67 h TYR 23 CO 0.00 0.61 -0.88 0.28 -1.64 0.00 0.00 178.16 176.53 1x67 h VAL 24 N 0.00 1.62 -0.01 1.81 2.07 0.12 -3.14 116.25 118.72 1x67 h VAL 24 Ca -0.08 -2.98 -0.04 0.00 0.82 0.00 0.00 66.70 64.42 1x67 h VAL 24 Cb 1.54 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1x67 h VAL 24 CO 0.07 0.85 -0.16 0.03 0.02 0.00 0.00 177.57 178.38 1x67 h ARG 25 N 0.01 0.13 -0.32 1.57 3.08 -1.44 -0.68 114.38 116.73 1x67 h ARG 25 Ca -0.01 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 60.01 1x67 h ARG 25 Cb 1.56 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 1x67 h ARG 25 CO 0.12 0.84 0.24 0.28 -1.07 0.00 0.00 179.97 180.38 1x67 h VAL 26 N -0.54 0.77 0.00 2.04 2.07 -1.64 -0.22 116.25 118.73 1x67 h VAL 26 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1x67 h VAL 26 Cb 0.88 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1x67 h VAL 26 CO 0.03 0.00 -1.34 1.33 0.02 0.00 0.00 177.57 177.61 1x67 n VAL 27 N -4.33 0.86 -3.42 2.57 0.24 -1.19 -4.70 118.33 108.37 1x67 n VAL 27 Ca 0.05 -0.62 -0.41 0.00 -2.04 0.00 0.00 64.34 61.32 1x67 n VAL 27 Cb 0.41 -0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 32.19 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 -3.14 5.19 0.10 3.34 2.01 -0.09 -4.93 115.64 118.11 1x67 s THR 28 Ca -0.03 -0.03 0.33 0.00 0.31 0.00 0.00 61.69 62.28 1x67 s THR 28 Cb 0.09 -3.81 0.39 0.00 0.01 0.00 0.00 72.50 69.18 1x67 s THR 28 CO 0.81 -0.10 1.98 1.05 -0.69 0.00 0.00 174.62 177.68 1x67 h GLU 29 N 8.48 0.00 -0.11 4.92 4.11 -1.87 -3.22 114.58 126.90 1x67 h GLU 29 Ca -0.30 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.18 1x67 h GLU 29 Cb 1.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1x67 h GLU 29 CO 0.69 0.00 -0.33 -0.22 0.07 0.00 0.00 179.01 179.22 1x67 h LYS 30 N 0.00 -0.41 -7.09 1.06 3.64 -1.92 -3.42 116.57 108.43 1x67 h LYS 30 Ca -0.00 0.03 -0.49 0.00 -1.27 0.00 0.00 60.65 58.92 1x67 h LYS 30 Cb 0.52 0.09 0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1x67 h LYS 30 CO 0.00 -0.27 0.19 -1.12 -2.27 0.00 0.00 179.45 175.98 1x67 s SER 31 N -4.90 5.93 -0.76 4.20 0.01 -1.22 -5.01 113.70 111.95 1x67 s SER 31 Ca -0.15 0.90 -0.25 0.00 1.31 0.00 0.00 55.95 57.76 1x67 s SER 31 Cb 0.10 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 64.35 1x67 s SER 31 CO 0.66 -0.86 1.23 -2.16 0.41 0.00 0.00 173.24 172.51 1x67 s PRO 32 N -4.93 3.23 -0.30 12.44 0.04 -1.26 -4.93 135.00 139.28 1x67 s PRO 32 Ca 0.52 -0.51 -0.08 0.00 0.04 0.00 0.00 61.00 60.96 1x67 s PRO 32 Cb -0.11 -4.34 0.15 0.00 0.04 0.00 0.00 34.50 30.24 1x67 s PRO 32 CO 0.46 -2.07 0.68 0.99 0.04 0.00 0.00 177.00 177.10 1x67 s THR 33 N 5.21 -0.94 -0.06 1.26 2.01 -1.26 -4.31 115.64 117.54 1x67 s THR 33 Ca 0.33 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.42 1x67 s THR 33 Cb -0.09 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.30 1x67 s THR 33 CO 0.10 0.00 0.09 -0.67 -0.69 0.00 0.00 174.62 173.46 1x67 n ASP 34 N 5.40 2.81 -3.82 3.53 -0.08 -0.98 -4.46 116.55 118.95 1x67 n ASP 34 Ca -0.09 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.00 1x67 n ASP 34 Cb 0.50 0.97 -0.09 0.00 2.34 0.00 0.00 41.12 44.85 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 -2.37 1.62 -0.30 -0.67 1.48 -1.21 -1.60 118.94 115.89 1x67 s TRP 35 Ca -0.04 -1.46 -0.15 0.00 -1.06 0.00 0.00 56.10 53.39 1x67 s TRP 35 Cb 0.04 -0.81 0.17 0.00 -1.16 0.00 0.00 33.47 31.71 1x67 s TRP 35 CO 0.38 -0.62 1.01 0.00 -4.06 0.00 0.00 176.95 173.66 1x67 s ALA 36 N -3.58 -2.71 -0.07 2.67 0.00 -1.04 -4.07 121.76 112.97 1x67 s ALA 36 Ca 0.36 2.05 -0.04 0.00 0.00 0.00 0.00 51.96 54.33 1x67 s ALA 36 Cb 0.04 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1x67 s ALA 36 CO 0.20 -0.89 0.13 -1.17 0.00 0.00 0.00 175.76 174.04 1x67 s LEU 37 N 2.29 4.25 -0.12 0.00 2.96 -0.80 -1.81 118.68 125.44 1x67 s LEU 37 Ca -0.03 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 1x67 s LEU 37 Cb -0.05 -2.25 0.04 0.00 0.50 0.00 0.00 46.19 44.43 1x67 s LEU 37 CO -0.17 0.34 0.03 -0.36 -1.32 0.00 0.00 176.35 174.88 1x67 s PHE 38 N -1.13 0.59 0.25 5.38 0.08 -1.01 -0.12 117.98 122.03 1x67 s PHE 38 Ca 0.20 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1x67 s PHE 38 Cb -0.12 -0.80 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 1x67 s PHE 38 CO 0.10 -0.42 0.05 -0.08 -0.10 0.00 0.00 175.22 174.77 1x67 s THR 39 N 2.00 0.81 0.92 0.64 -1.32 -0.83 -2.25 115.64 115.61 1x67 s THR 39 Ca 0.03 -2.01 -0.11 0.00 -1.21 0.00 0.00 61.69 58.39 1x67 s THR 39 Cb -0.14 -2.50 0.14 0.00 -1.51 0.00 0.00 72.50 68.49 1x67 s THR 39 CO -0.06 -0.16 1.09 -0.31 -2.21 0.00 0.00 174.62 172.97 1x67 s TYR 40 N -3.57 2.09 -0.08 9.09 1.51 -1.26 -0.12 117.35 125.00 1x67 s TYR 40 Ca 0.33 1.38 -0.01 0.00 -1.01 0.00 0.00 57.07 57.76 1x67 s TYR 40 Cb 0.07 -3.17 -0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1x67 s TYR 40 CO 0.11 -2.60 -0.03 1.49 -1.11 0.00 0.00 175.55 173.41 1x67 h GLU 41 N -1.70 0.00 0.00 -0.62 4.81 -1.30 -3.43 114.58 112.33 1x67 h GLU 41 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1x67 h GLU 41 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1x67 h GLU 41 CO 0.51 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.20 1x67 n GLY 42 N 1.79 4.48 2.31 1.92 0.00 -1.26 -5.01 105.19 109.43 1x67 n GLY 42 Ca -0.01 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 7.20 -3.99 1.61 4.13 -1.26 -4.94 115.26 118.01 1x67 n ASN 43 Ca 0.00 -3.76 -0.10 0.00 1.68 0.00 0.00 54.58 52.40 1x67 n ASN 43 Cb 0.00 -0.96 -0.07 0.00 -1.54 0.00 0.00 39.78 37.21 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 -1.75 -0.01 -0.43 6.41 1.04 -1.26 -5.11 113.70 112.59 1x67 s SER 44 Ca 0.64 -0.94 -0.28 0.00 0.48 0.00 0.00 55.95 55.85 1x67 s SER 44 Cb 0.50 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 67.11 1x67 s SER 44 CO 0.01 -0.98 1.57 0.20 0.98 0.00 0.00 173.24 175.02 1x67 s ASN 45 N -3.01 6.06 -0.30 7.02 0.01 -1.26 -4.59 114.94 118.87 1x67 s ASN 45 Ca 0.21 0.84 -0.16 0.00 -0.71 0.00 0.00 52.86 53.04 1x67 s ASN 45 Cb 0.02 -2.54 0.18 0.00 0.41 0.00 0.00 41.25 39.33 1x67 s ASN 45 CO 0.05 -1.66 1.18 -0.62 -1.51 0.00 0.00 177.10 174.54 1x67 s ASP 46 N 5.08 -0.07 0.23 -1.22 2.15 -1.26 -4.54 116.67 117.04 1x67 s ASP 46 Ca 0.66 0.01 -0.28 0.00 0.43 0.00 0.00 52.55 53.37 1x67 s ASP 46 Cb -0.16 1.05 -0.09 0.00 -0.30 0.00 0.00 42.92 43.42 1x67 s ASP 46 CO 0.31 -0.01 0.89 -0.63 -0.17 0.00 0.00 175.17 175.55 1x67 s ILE 47 N 2.99 4.18 -0.11 4.11 -1.09 -1.26 -0.96 121.20 129.07 1x67 s ILE 47 Ca 0.30 1.93 -0.09 0.00 -2.23 0.00 0.00 60.65 60.55 1x67 s ILE 47 Cb -0.00 -4.22 0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1x67 s ILE 47 CO -0.21 0.45 0.28 0.00 -1.23 0.00 0.00 174.94 174.23 1x67 s ARG 48 N -1.32 0.31 0.01 2.79 1.70 0.83 -4.59 118.95 118.68 1x67 s ARG 48 Ca 0.41 0.42 -0.34 0.00 -0.47 0.00 0.00 55.73 55.75 1x67 s ARG 48 Cb -0.24 0.11 -0.13 0.00 -0.57 0.00 0.00 34.95 34.12 1x67 s ARG 48 CO 0.29 -0.06 1.73 1.55 -1.08 0.00 0.00 175.30 177.73 1x67 n VAL 49 N 3.17 0.31 0.09 4.99 3.14 -1.26 -1.97 118.33 126.81 1x67 n VAL 49 Ca -0.15 -0.06 -0.22 0.00 -2.96 0.00 0.00 64.34 60.95 1x67 n VAL 49 Cb 0.57 -1.66 -0.15 0.00 -1.06 0.00 0.00 33.84 31.54 1x67 n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x67 h ALA 50 N 7.58 -0.13 -1.20 1.55 0.00 -0.83 -3.47 119.26 122.77 1x67 h ALA 50 Ca -0.47 -0.77 0.31 0.00 0.00 0.00 0.00 54.91 53.99 1x67 h ALA 50 Cb 1.27 0.13 -0.19 0.00 0.00 0.00 0.00 17.79 19.00 1x67 h ALA 50 CO 0.92 0.51 0.92 0.20 0.00 0.00 0.00 179.25 181.80 1x67 s GLY 51 N -4.50 -0.26 -0.06 0.00 0.00 -1.23 -5.00 107.32 96.27 1x67 s GLY 51 Ca -0.12 1.68 -0.16 0.00 0.00 0.00 0.00 44.72 46.13 1x67 s GLY 51 CO 0.88 0.54 0.36 -0.51 0.00 0.00 0.00 173.10 174.38 1x67 s THR 52 N -2.17 0.03 0.04 0.90 -4.23 -1.26 -1.91 115.64 107.04 1x67 s THR 52 Ca 0.11 -0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.05 1x67 s THR 52 Cb -0.00 -0.62 0.10 0.00 1.34 0.00 0.00 72.50 73.32 1x67 s THR 52 CO -0.03 -0.16 1.18 -0.83 -0.54 0.00 0.00 174.62 174.23 1x67 s GLY 53 N -0.84 -0.35 -0.36 3.99 0.00 -1.26 -5.02 107.32 103.48 1x67 s GLY 53 Ca -0.09 0.50 0.07 0.00 0.00 0.00 0.00 44.72 45.20 1x67 s GLY 53 CO 0.04 0.08 1.83 -2.21 0.00 0.00 0.00 173.10 172.83 1x67 n GLU 54 N -0.48 3.18 0.26 2.90 2.13 -1.26 -2.32 120.64 125.05 1x67 n GLU 54 Ca -0.08 -2.97 0.16 0.00 0.66 0.00 0.00 57.16 54.93 1x67 n GLU 54 Cb 0.62 -2.18 0.60 0.00 0.27 0.00 0.00 31.44 30.75 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 2.19 0.00 0.00 8.31 0.00 -1.96 -3.46 103.07 108.16 1x67 h GLY 55 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1x67 h GLY 55 CO 0.86 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.01 1x67 n GLY 56 N 0.19 0.56 0.09 4.60 0.00 -1.26 -4.32 105.19 105.05 1x67 n GLY 56 Ca 0.01 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.70 0.99 3.38 -1.95 -3.17 115.31 112.87 1x67 h LEU 57 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 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 0.67 -0.18 -0.33 0.09 0.00 0.00 178.44 178.69 1x67 h GLU 58 N 0.00 0.00 0.06 1.13 5.08 -1.99 -2.41 114.58 116.46 1x67 h GLU 58 Ca -0.16 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.87 1x67 h GLU 58 Cb 1.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 1x67 h GLU 58 CO 0.06 0.18 -1.86 -1.91 -1.00 0.00 0.00 179.01 174.47 1x67 n GLU 59 N -3.77 0.70 0.38 2.33 4.07 -1.25 -3.59 120.64 119.50 1x67 n GLU 59 Ca -0.02 0.28 -0.18 0.00 -0.06 0.00 0.00 57.16 57.18 1x67 n GLU 59 Cb 0.28 -1.75 -0.09 0.00 -0.06 0.00 0.00 31.44 29.82 1x67 n GLU 59 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1x67 h MET 60 N 0.04 -0.89 -0.40 5.31 4.05 -1.47 -2.33 114.93 119.24 1x67 h MET 60 Ca -0.36 0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.16 1x67 h MET 60 Cb 2.03 0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 33.01 1x67 h MET 60 CO 0.08 -0.59 0.27 -0.39 0.23 0.00 0.00 176.91 176.51 1x67 h VAL 61 N -0.94 1.00 -0.09 -5.77 -1.51 -1.64 -0.63 116.25 106.67 1x67 h VAL 61 Ca -0.09 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 65.21 1x67 h VAL 61 Cb 0.71 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 1x67 h VAL 61 CO 0.16 0.07 -0.14 -0.33 -1.23 0.00 0.00 177.57 176.09 1x67 h GLU 62 N 0.37 0.13 0.02 5.19 4.39 -1.54 -2.38 114.58 120.77 1x67 h GLU 62 Ca 0.17 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.62 1x67 h GLU 62 Cb 0.20 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1x67 h GLU 62 CO -0.04 0.28 -1.02 0.93 -1.16 0.00 0.00 179.01 178.00 1x67 h GLU 63 N 0.13 0.05 -6.33 2.33 4.39 -0.59 -3.45 114.58 111.10 1x67 h GLU 63 Ca 0.03 -0.08 -0.63 0.00 0.34 0.00 0.00 59.36 59.01 1x67 h GLU 63 Cb 0.34 0.03 0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1x67 h GLU 63 CO 0.02 1.02 0.89 1.28 -1.16 0.00 0.00 179.01 181.06 1x67 n LEU 64 N -3.40 2.95 -4.46 1.33 4.77 -0.90 -4.94 117.00 112.35 1x67 n LEU 64 Ca -0.01 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.61 1x67 n LEU 64 Cb 0.94 -1.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1x67 n LEU 64 CO 0.48 -0.31 -0.17 0.21 -1.33 0.00 0.00 177.39 176.26 1x67 s ASN 65 N 2.51 5.74 -0.70 -1.43 2.47 -1.26 -5.02 114.94 117.25 1x67 s ASN 65 Ca 0.88 -0.56 -0.26 0.00 0.42 0.00 0.00 52.86 53.34 1x67 s ASN 65 Cb -0.78 -2.05 -0.04 0.00 -1.45 0.00 0.00 41.25 36.94 1x67 s ASN 65 CO 0.49 -0.24 1.94 -0.44 -3.72 0.00 0.00 177.10 175.13 1x67 s SER 66 N 1.64 5.13 0.00 -4.21 0.01 -1.26 -2.69 113.70 112.32 1x67 s SER 66 Ca 0.05 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1x67 s SER 66 Cb -0.17 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1x67 s SER 66 CO 0.08 -2.57 0.00 0.61 0.41 0.00 0.00 173.24 171.76 1x67 n GLY 67 N 6.10 0.35 3.15 3.44 0.00 -1.26 -4.63 105.19 112.34 1x67 n GLY 67 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 1.16 0.15 1.61 1.02 -1.10 -3.85 119.74 118.73 1x67 s LYS 68 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 1x67 s LYS 68 Cb 0.00 -1.16 -0.07 0.00 -0.52 0.00 0.00 37.83 36.08 1x67 s LYS 68 CO 0.00 0.31 1.20 0.08 -0.92 0.00 0.00 175.35 176.01 1x67 s VAL 69 N -0.55 3.71 0.32 3.17 1.01 -1.26 -4.11 120.40 122.69 1x67 s VAL 69 Ca 0.05 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 1x67 s VAL 69 Cb -0.07 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1x67 s VAL 69 CO 0.00 0.19 0.41 -0.04 0.00 0.00 0.00 175.10 175.66 1x67 s MET 70 N 0.16 1.80 -0.10 2.72 1.00 -1.03 -4.61 119.30 119.23 1x67 s MET 70 Ca 0.55 -1.76 -0.01 0.00 0.00 0.00 0.00 55.69 54.47 1x67 s MET 70 Cb -0.32 0.41 0.03 0.00 0.00 0.00 0.00 34.83 34.95 1x67 s MET 70 CO 0.34 -0.72 -0.05 0.71 0.00 0.00 0.00 175.02 175.30 1x67 s TYR 71 N -3.28 1.20 -0.24 -0.03 1.51 -0.95 -1.69 117.35 113.86 1x67 s TYR 71 Ca 0.32 -0.55 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 1x67 s TYR 71 Cb 0.01 -1.08 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1x67 s TYR 71 CO 0.20 -0.45 0.16 0.00 -1.11 0.00 0.00 175.55 174.35 1x67 s ALA 72 N 1.80 3.61 -0.40 3.71 0.00 -1.07 -2.39 121.76 127.02 1x67 s ALA 72 Ca 0.05 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1x67 s ALA 72 Cb -0.13 -2.33 0.11 0.00 0.00 0.00 0.00 23.12 20.77 1x67 s ALA 72 CO -0.07 -0.21 0.12 0.12 0.00 0.00 0.00 175.76 175.72 1x67 s PHE 73 N 1.08 3.59 0.26 0.00 5.36 -0.75 -2.35 117.98 125.18 1x67 s PHE 73 Ca 0.08 -3.04 0.06 0.00 -0.96 0.00 0.00 56.93 53.07 1x67 s PHE 73 Cb -0.14 -2.91 -0.03 0.00 -0.34 0.00 0.00 43.02 39.60 1x67 s PHE 73 CO 0.05 -0.89 0.27 0.00 -1.46 0.00 0.00 175.22 173.19 1x67 s ARG 75 N -3.92 0.75 0.08 0.00 3.52 -0.63 -2.45 118.95 116.30 1x67 s ARG 75 Ca 0.35 -0.39 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1x67 s ARG 75 Cb -0.08 -2.00 -0.03 0.00 -1.56 0.00 0.00 34.95 31.28 1x67 s ARG 75 CO 0.27 -0.58 -0.10 0.14 -0.81 0.00 0.00 175.30 174.21 1x67 s VAL 76 N 1.83 0.89 0.20 7.11 -7.23 -0.89 -4.87 120.40 117.44 1x67 s VAL 76 Ca -0.00 -1.49 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 1x67 s VAL 76 Cb -0.16 -1.19 -0.08 0.00 0.56 0.00 0.00 36.38 35.50 1x67 s VAL 76 CO -0.08 -0.48 0.89 -1.59 -0.31 0.00 0.00 175.10 173.53 1x67 s LYS 77 N -2.44 4.75 0.81 4.82 -2.85 -1.26 -0.12 119.74 123.46 1x67 s LYS 77 Ca 0.02 1.38 -0.11 0.00 -1.00 0.00 0.00 55.97 56.25 1x67 s LYS 77 Cb -0.05 -3.28 0.08 0.00 -2.06 0.00 0.00 37.83 32.51 1x67 s LYS 77 CO 0.00 0.51 1.09 -0.51 0.10 0.00 0.00 175.35 176.54 1x67 s ASP 78 N -1.06 4.24 -0.04 0.03 1.11 -1.03 -4.85 116.67 115.07 1x67 s ASP 78 Ca 0.40 1.60 -0.24 0.00 0.18 0.00 0.00 52.55 54.48 1x67 s ASP 78 Cb -0.25 -2.32 -0.22 0.00 1.07 0.00 0.00 42.92 41.21 1x67 s ASP 78 CO 0.30 -2.17 1.11 1.55 1.18 0.00 0.00 175.17 177.13 1x67 h PRO 79 N -1.22 0.16 0.08 8.23 0.13 -1.90 -2.13 132.00 135.35 1x67 h PRO 79 Ca -0.46 -0.14 -0.30 0.00 -0.87 0.00 0.00 66.00 64.23 1x67 h PRO 79 Cb 1.25 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1x67 h PRO 79 CO 0.54 0.82 -1.59 -0.91 -0.23 0.00 0.00 178.00 176.63 1x67 h ASN 80 N -0.45 0.28 -0.06 1.44 2.35 -1.94 -3.38 115.58 113.81 1x67 h ASN 80 Ca -0.01 -0.79 -0.01 0.00 -0.55 0.00 0.00 56.30 54.94 1x67 h ASN 80 Cb 0.86 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1x67 h ASN 80 CO 0.04 1.67 0.01 0.28 -1.65 0.00 0.00 177.43 177.78 1x67 h SER 81 N -0.38 0.10 -0.30 5.81 0.02 -1.96 -3.47 113.55 113.37 1x67 h SER 81 Ca -0.37 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.22 1x67 h SER 81 Cb 1.73 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 64.19 1x67 h SER 81 CO -0.01 0.31 -0.11 0.61 -1.14 0.00 0.00 176.83 176.49 1x67 n GLY 82 N -0.46 0.81 3.32 -3.77 0.00 -0.80 -4.93 105.19 99.36 1x67 n GLY 82 Ca -0.07 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.36 2.39 -0.18 0.99 1.43 -1.26 -4.78 118.68 115.91 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 -0.88 -0.14 0.00 0.03 0.00 0.00 46.19 45.20 1x67 s LEU 83 CO 0.00 0.01 1.81 -2.65 0.23 0.00 0.00 176.35 175.76 1x67 n PRO 84 N 0.58 1.68 -4.64 1.29 -0.02 -1.26 -2.46 135.00 130.17 1x67 n PRO 84 Ca -0.15 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 1x67 n PRO 84 Cb 0.56 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 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 3.79 2.09 -0.15 -0.52 -0.14 0.83 -4.94 119.74 120.71 1x67 s LYS 85 Ca 0.95 -0.97 -0.07 0.00 -1.36 0.00 0.00 55.97 54.52 1x67 s LYS 85 Cb -0.87 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.03 1x67 s LYS 85 CO 0.58 0.54 0.11 -0.06 -0.76 0.00 0.00 175.35 175.76 1x67 s PHE 86 N -0.93 3.44 0.01 3.18 0.08 -1.26 -2.09 117.98 120.41 1x67 s PHE 86 Ca 0.15 0.36 0.07 0.00 0.12 0.00 0.00 56.93 57.63 1x67 s PHE 86 Cb -0.11 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 1x67 s PHE 86 CO 0.05 0.49 -0.21 0.08 -0.10 0.00 0.00 175.22 175.53 1x67 s VAL 87 N -0.39 1.67 -0.18 -0.44 1.01 -1.03 -0.11 120.40 120.93 1x67 s VAL 87 Ca 0.11 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1x67 s VAL 87 Cb -0.12 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1x67 s VAL 87 CO 0.01 0.35 -0.18 -0.22 0.00 0.00 0.00 175.10 175.06 1x67 s LEU 88 N -0.82 2.16 -0.11 3.92 1.98 -0.85 -3.52 118.68 121.45 1x67 s LEU 88 Ca 0.08 -0.69 0.01 0.00 -2.89 0.00 0.00 54.13 50.64 1x67 s LEU 88 Cb -0.08 -1.42 -0.01 0.00 0.66 0.00 0.00 46.19 45.33 1x67 s LEU 88 CO 0.00 -0.03 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.65 1x67 s ILE 89 N 1.31 2.88 -1.16 6.68 1.01 -0.99 -1.22 121.20 129.71 1x67 s ILE 89 Ca 0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1x67 s ILE 89 Cb -0.14 -2.18 0.24 0.00 0.01 0.00 0.00 42.46 40.40 1x67 s ILE 89 CO -0.12 0.54 1.36 0.59 0.00 0.00 0.00 174.94 177.31 1x67 n ASN 90 N 3.29 5.55 -4.67 3.58 3.02 0.57 -2.59 115.26 124.00 1x67 n ASN 90 Ca -0.18 -3.09 -0.51 0.00 -0.03 0.00 0.00 54.58 50.77 1x67 n ASN 90 Cb 0.53 -1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.21 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 3.43 2.10 -3.54 3.10 -0.00 -0.68 -3.72 117.44 118.12 1x67 n TRP 91 Ca 0.30 0.31 -0.28 0.00 -0.00 0.00 0.00 57.50 57.83 1x67 n TRP 91 Cb 0.39 -2.53 -0.11 0.00 -0.00 0.00 0.00 31.31 29.06 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 2.60 0.82 0.47 5.87 2.01 -0.84 -2.48 115.64 124.08 1x67 s THR 92 Ca 0.90 -2.57 -0.23 0.00 0.31 0.00 0.00 61.69 60.10 1x67 s THR 92 Cb -0.83 -1.57 -0.10 0.00 0.01 0.00 0.00 72.50 70.01 1x67 s THR 92 CO 0.51 -1.07 0.92 0.61 -0.69 0.00 0.00 174.62 174.90 1x67 n GLY 93 N 3.22 -0.46 0.24 4.40 0.00 -1.24 -4.28 105.19 107.08 1x67 n GLY 93 Ca 0.19 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1x67 n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x67 h GLU 94 N 1.17 0.00 0.00 1.61 4.39 -1.87 -1.95 114.58 117.93 1x67 h GLU 94 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1x67 h GLU 94 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1x67 h GLU 94 CO 0.54 0.15 0.00 0.78 -1.16 0.00 0.00 179.01 179.33 1x67 h GLY 95 N 0.64 0.00 -6.66 -3.84 0.00 -1.82 -3.40 103.07 87.98 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 0.02 0.00 0.97 0.14 0.00 0.00 0.00 176.54 177.67 1x67 s VAL 96 N -3.97 4.12 1.00 4.60 1.01 -0.74 -4.97 120.40 121.45 1x67 s VAL 96 Ca -0.03 1.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.96 1x67 s VAL 96 Cb 0.11 -4.46 0.08 0.00 0.00 0.00 0.00 36.38 32.11 1x67 s VAL 96 CO 0.44 -0.89 0.42 -0.46 0.00 0.00 0.00 175.10 174.60 1x67 n ASN 97 N 8.12 -1.90 -0.19 3.32 6.94 -1.26 -4.70 115.26 125.59 1x67 n ASN 97 Ca 0.14 0.21 -0.07 0.00 -0.02 0.00 0.00 54.58 54.83 1x67 n ASN 97 Cb 0.49 -1.18 0.08 0.00 -2.36 0.00 0.00 39.78 36.80 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 -1.77 0.96 -0.20 0.53 1.82 -1.94 -2.01 116.42 113.81 1x67 h ASP 98 Ca -0.47 -0.25 0.06 0.00 -0.39 0.00 0.00 57.03 55.98 1x67 h ASP 98 Cb 1.30 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 1x67 h ASP 98 CO 0.37 1.00 0.23 0.58 -1.61 0.00 0.00 179.24 179.81 1x67 h VAL 99 N 0.92 0.44 0.07 2.25 2.07 -2.01 -1.23 116.25 118.75 1x67 h VAL 99 Ca 0.17 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.35 1x67 h VAL 99 Cb 0.49 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1x67 h VAL 99 CO 0.02 0.00 -1.94 -1.14 0.02 0.00 0.00 177.57 174.54 1x67 n ARG 100 N -3.75 0.71 -0.30 1.57 3.00 -0.92 -3.72 116.66 113.23 1x67 n ARG 100 Ca 0.02 0.26 0.05 0.00 -0.00 0.00 0.00 57.85 58.18 1x67 n ARG 100 Cb 0.36 -1.72 0.20 0.00 0.00 0.00 0.00 32.46 31.30 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 0.04 0.73 -0.02 -0.14 1.57 -0.53 0.20 116.57 118.43 1x67 h LYS 101 Ca -0.39 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.20 1x67 h LYS 101 Cb 2.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 1x67 h LYS 101 CO 0.07 0.48 -0.69 0.78 -0.57 0.00 0.00 179.45 179.53 1x67 h GLY 102 N 0.75 0.09 1.58 3.86 0.00 -1.64 -3.02 103.07 104.70 1x67 h GLY 102 Ca 0.44 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.45 1x67 h GLY 102 CO -0.30 0.12 -0.78 0.00 0.00 0.00 0.00 176.54 175.59 1x67 h ALA 103 N 1.24 0.54 0.00 3.60 0.00 -1.24 -3.13 119.26 120.27 1x67 h ALA 103 Ca -0.01 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 1x67 h ALA 103 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1x67 h ALA 103 CO 0.10 0.78 -0.37 0.00 0.00 0.00 0.00 179.25 179.75 1x67 h ALA 105 N 1.63 1.18 -0.39 0.00 0.00 -1.46 0.45 119.26 120.65 1x67 h ALA 105 Ca -0.00 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1x67 h ALA 105 Cb 0.70 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1x67 h ALA 105 CO 0.05 0.08 0.33 0.77 0.00 0.00 0.00 179.25 180.47 1x67 h SER 106 N 0.77 0.00 0.87 0.00 0.02 -1.65 0.13 113.55 113.68 1x67 h SER 106 Ca 0.40 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.14 1x67 h SER 106 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1x67 h SER 106 CO -0.26 0.00 -1.21 0.45 -1.14 0.00 0.00 176.83 174.67 1x67 h HIS 107 N 0.00 0.00 -0.18 3.45 3.86 -1.08 -3.30 115.15 117.90 1x67 h HIS 107 Ca 0.19 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 1x67 h HIS 107 Cb 0.84 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1x67 h HIS 107 CO 0.00 0.86 0.16 0.28 0.86 0.00 0.00 177.93 180.10 1x67 h VAL 108 N 0.00 0.64 -0.17 2.45 2.07 -0.12 -1.73 116.25 119.39 1x67 h VAL 108 Ca -0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1x67 h VAL 108 Cb 1.76 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1x67 h VAL 108 CO 0.09 0.00 0.05 0.28 0.02 0.00 0.00 177.57 178.01 1x67 h SER 109 N 0.00 0.26 -0.05 0.57 0.02 -1.62 0.42 113.55 113.15 1x67 h SER 109 Ca 0.08 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1x67 h SER 109 Cb 0.41 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1x67 h SER 109 CO -0.00 0.41 -0.05 0.74 -1.14 0.00 0.00 176.83 176.80 1x67 h THR 110 N 0.09 1.36 -0.86 -2.27 2.02 -1.54 -3.15 112.91 108.56 1x67 h THR 110 Ca 0.05 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.12 1x67 h THR 110 Cb 0.25 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 1x67 h THR 110 CO -0.00 0.32 0.54 0.24 0.37 0.00 0.00 175.52 176.99 1x67 h MET 111 N -0.31 1.00 -0.69 6.66 2.07 -1.37 -1.93 114.93 120.37 1x67 h MET 111 Ca 0.01 -0.06 0.13 0.00 -2.07 0.00 0.00 59.70 57.71 1x67 h MET 111 Cb 0.53 -0.23 -0.09 0.00 -1.87 0.00 0.00 31.60 29.95 1x67 h MET 111 CO 0.01 0.66 0.24 0.00 1.07 0.00 0.00 176.91 178.90 1x67 h ALA 112 N 1.37 0.93 -0.11 6.32 0.00 -0.90 -0.43 119.26 126.44 1x67 h ALA 112 Ca 0.35 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 1x67 h ALA 112 Cb 0.07 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x67 h ALA 112 CO -0.14 -0.23 -0.06 0.77 0.00 0.00 0.00 179.25 179.59 1x67 h SER 113 N 0.39 0.23 -0.82 0.00 0.02 -1.37 -3.15 113.55 108.85 1x67 h SER 113 Ca 0.37 -0.42 0.14 0.00 -0.84 0.00 0.00 61.79 61.05 1x67 h SER 113 Cb 0.55 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.93 1x67 h SER 113 CO -0.39 0.60 0.39 0.15 -1.14 0.00 0.00 176.83 176.44 1x67 h PHE 114 N -0.14 0.69 -2.06 3.45 3.57 -0.65 -2.35 116.94 119.45 1x67 h PHE 114 Ca 0.02 0.03 -0.79 0.00 3.53 0.00 0.00 57.97 60.76 1x67 h PHE 114 Cb 0.52 -0.18 -0.25 0.00 2.79 0.00 0.00 35.95 38.83 1x67 h PHE 114 CO 0.07 0.15 1.24 1.28 -2.23 0.00 0.00 178.31 178.81 1x67 n LEU 115 N -4.91 7.47 -4.55 0.59 4.77 -0.24 -5.02 117.00 115.12 1x67 n LEU 115 Ca 0.16 -5.26 -0.29 0.00 -0.03 0.00 0.00 56.01 50.59 1x67 n LEU 115 Cb 0.43 -1.19 0.23 0.00 -2.33 0.00 0.00 43.42 40.55 1x67 n LEU 115 CO 0.20 2.03 0.57 -0.54 -1.33 0.00 0.00 177.39 178.32 1x67 s LYS 116 N -3.82 -0.82 0.00 3.23 1.02 -0.89 -3.93 119.74 114.54 1x67 s LYS 116 Ca 0.42 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.84 1x67 s LYS 116 Cb 0.21 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1x67 s LYS 116 CO -0.15 -3.55 0.00 0.41 -0.92 0.00 0.00 175.35 171.15 1x67 n GLY 117 N -0.16 2.92 3.51 -3.33 0.00 -1.26 -4.98 105.19 101.88 1x67 n GLY 117 Ca 0.07 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 -1.14 0.76 0.20 4.61 0.00 -1.25 -4.28 120.51 119.40 1x67 n ALA 118 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.02 1x67 n ALA 118 Cb 0.00 -2.75 0.40 0.00 0.00 0.00 0.00 19.45 17.10 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 -3.29 0.00 3.86 -0.90 -3.44 115.15 126.68 1x67 h HIS 119 Ca -0.20 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.83 1x67 h HIS 119 Cb 1.30 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.50 1x67 h HIS 119 CO 1.00 0.32 -0.51 0.08 0.86 0.00 0.00 177.93 179.68 1x67 s VAL 120 N -3.73 -0.00 0.00 2.45 1.01 -1.24 -4.82 120.40 114.06 1x67 s VAL 120 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1x67 s VAL 120 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 1x67 s VAL 120 CO 0.67 0.00 -0.12 -0.89 0.00 0.00 0.00 175.10 174.76 1x67 s THR 121 N 0.13 3.24 -0.05 3.92 2.01 -1.26 -2.00 115.64 121.62 1x67 s THR 121 Ca -0.00 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 1x67 s THR 121 Cb -0.02 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.16 1x67 s THR 121 CO 0.00 0.43 0.12 -0.63 -0.69 0.00 0.00 174.62 173.85 1x67 s ILE 122 N -0.91 -0.03 -0.95 1.82 1.01 -0.36 -4.99 121.20 116.78 1x67 s ILE 122 Ca 0.15 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 1x67 s ILE 122 Cb -0.11 -0.20 0.24 0.00 0.01 0.00 0.00 42.46 42.40 1x67 s ILE 122 CO 0.05 0.05 0.88 0.59 0.00 0.00 0.00 174.94 176.51 1x67 n ASN 123 N 3.78 4.57 -4.94 3.58 4.13 -1.26 -0.32 115.26 124.79 1x67 n ASN 123 Ca -0.22 -3.12 -0.24 0.00 1.68 0.00 0.00 54.58 52.68 1x67 n ASN 123 Cb 0.54 -1.13 0.05 0.00 -1.54 0.00 0.00 39.78 37.70 1x67 n ASN 123 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x67 s ALA 124 N -1.42 3.49 0.00 5.41 0.00 -1.24 -4.94 121.76 123.05 1x67 s ALA 124 Ca 0.29 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1x67 s ALA 124 Cb -0.07 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1x67 s ALA 124 CO -0.11 -0.94 0.00 0.54 0.00 0.00 0.00 175.76 175.25 1x67 n ARG 125 N -2.59 0.53 -4.19 0.00 1.74 -1.26 -2.00 116.66 108.90 1x67 n ARG 125 Ca 0.07 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.90 1x67 n ARG 125 Cb 0.59 -0.84 -0.08 0.00 -1.02 0.00 0.00 32.46 31.11 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 -1.69 3.49 0.33 7.54 0.00 -1.26 -3.62 121.76 126.55 1x67 s ALA 126 Ca 0.00 -2.08 0.22 0.00 0.00 0.00 0.00 51.96 50.10 1x67 s ALA 126 Cb 0.00 -0.37 1.09 0.00 0.00 0.00 0.00 23.12 23.83 1x67 s ALA 126 CO 0.00 -0.11 1.93 0.93 0.00 0.00 0.00 175.76 178.51 1x67 h GLU 127 N 1.52 0.00 0.00 0.00 5.08 -1.94 -2.35 114.58 116.89 1x67 h GLU 127 Ca -0.43 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1x67 h GLU 127 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1x67 h GLU 127 CO 0.70 0.23 -0.20 1.05 -1.00 0.00 0.00 179.01 179.79 1x67 h GLU 128 N 0.00 0.00 0.00 2.33 4.11 -2.00 -2.26 114.58 116.76 1x67 h GLU 128 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1x67 h GLU 128 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1x67 h GLU 128 CO 0.03 0.20 -0.74 -0.44 0.07 0.00 0.00 179.01 178.13 1x67 h ASP 129 N 0.00 0.00 -0.99 3.06 3.32 -1.83 -3.32 116.42 116.66 1x67 h ASP 129 Ca -0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.42 1x67 h ASP 129 Cb 0.49 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.69 1x67 h ASP 129 CO 0.03 0.45 0.05 1.33 -1.72 0.00 0.00 179.24 179.38 1x67 n VAL 130 N -3.09 3.07 -1.77 -1.35 0.24 -0.87 -4.59 118.33 109.97 1x67 n VAL 130 Ca -0.01 -3.71 -0.31 0.00 -2.04 0.00 0.00 64.34 58.27 1x67 n VAL 130 Cb 0.74 -1.16 0.04 0.00 -1.47 0.00 0.00 33.84 31.98 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 -3.73 2.99 0.36 7.34 2.02 -1.08 -4.76 118.70 121.84 1x67 s GLU 131 Ca 0.57 0.68 0.15 0.00 0.02 0.00 0.00 54.97 56.39 1x67 s GLU 131 Cb 0.45 -2.02 1.03 0.00 0.10 0.00 0.00 34.13 33.69 1x67 s GLU 131 CO -0.03 -0.99 1.73 -1.35 0.02 0.00 0.00 175.26 174.65 1x67 h PRO 132 N -0.63 0.44 0.14 0.39 0.11 -1.91 0.20 132.00 130.74 1x67 h PRO 132 Ca -0.45 -0.03 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 1x67 h PRO 132 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x67 h PRO 132 CO 0.61 0.29 -1.73 1.05 -0.21 0.00 0.00 178.00 178.01 1x67 h GLU 133 N 0.45 0.30 0.00 1.05 4.11 -1.98 -2.81 114.58 115.70 1x67 h GLU 133 Ca 0.64 -0.51 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 1x67 h GLU 133 Cb 1.47 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 1x67 h GLU 133 CO -0.41 1.18 -0.07 0.00 0.07 0.00 0.00 179.01 179.77 1x67 h ILE 135 N 0.00 0.82 0.00 0.00 2.04 -0.79 -3.36 117.51 116.22 1x67 h ILE 135 Ca -0.00 -2.30 -0.05 0.00 1.00 0.00 0.00 64.86 63.51 1x67 h ILE 135 Cb 0.18 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1x67 h ILE 135 CO 0.01 0.65 -0.26 0.24 0.00 0.00 0.00 178.15 178.80 1x67 h MET 136 N -0.38 0.00 0.00 2.37 2.86 -1.28 -1.96 114.93 116.53 1x67 h MET 136 Ca -0.37 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.23 1x67 h MET 136 Cb 1.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.37 1x67 h MET 136 CO -0.02 0.26 -0.20 0.93 1.06 0.00 0.00 176.91 178.93 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 4.39 -0.74 -2.70 114.58 117.25 1x67 h GLU 137 Ca -0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 1x67 h GLU 137 Cb 0.59 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1x67 h GLU 137 CO 0.03 0.20 -1.86 1.63 -1.16 0.00 0.00 179.01 177.85 1x67 n LYS 138 N -3.90 0.65 -0.11 2.33 5.02 -0.94 -4.21 118.16 117.00 1x67 n LYS 138 Ca -0.02 0.11 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 1x67 n LYS 138 Cb 0.29 -1.67 0.24 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.20 -0.43 -0.18 2.07 -1.06 -2.79 116.25 115.06 1x67 h VAL 139 Ca -0.29 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1x67 h VAL 139 Cb 1.80 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1x67 h VAL 139 CO 0.04 0.26 0.23 0.00 0.02 0.00 0.00 177.57 178.12 1x67 h ALA 140 N 1.44 0.56 -1.47 1.67 0.00 -1.67 -3.39 119.26 116.40 1x67 h ALA 140 Ca 0.18 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.48 1x67 h ALA 140 Cb 0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1x67 h ALA 140 CO -0.01 0.09 1.23 0.45 0.00 0.00 0.00 179.25 181.00 1x67 s SER 141 N -5.75 5.67 0.00 0.00 0.15 -1.05 -4.89 113.70 107.83 1x67 s SER 141 Ca -0.13 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x67 s SER 141 Cb 0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1x67 s SER 141 CO 0.74 -2.11 0.43 0.61 1.20 0.00 0.00 173.24 174.12 1x67 n GLY 142 N 5.54 -1.36 3.49 9.45 0.00 -1.26 -4.72 105.19 116.33 1x67 n GLY 142 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.91 1.27 -0.58 1.61 -0.02 -1.26 -4.87 135.00 129.24 1x67 n PRO 143 Ca 0.00 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 1x67 n PRO 143 Cb 0.00 -2.56 0.19 0.00 -0.02 0.00 0.00 33.50 31.11 1x67 n PRO 143 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1x67 n SER 144 N 9.68 -2.28 -3.66 2.55 7.64 -1.26 -5.07 113.62 121.23 1x67 n SER 144 Ca 0.38 -0.87 -0.20 0.00 1.01 0.00 0.00 58.87 59.18 1x67 n SER 144 Cb 0.26 -0.71 -0.17 0.00 -1.01 0.00 0.00 64.21 62.58 1x67 n SER 144 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x67 s SER 145 N -3.36 1.26 0.00 6.43 0.01 -1.26 -5.24 113.70 111.53 1x67 s SER 145 Ca 0.49 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1x67 s SER 145 Cb -0.06 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1x67 s SER 145 CO 0.39 -0.27 0.18 0.61 0.41 0.00 0.00 173.24 174.56