#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 n SER 2 N 0.00 2.67 -3.64 1.61 2.88 -1.26 -5.03 113.62 110.85 1x67 n SER 2 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1x67 n SER 2 Cb 0.00 0.94 0.04 0.00 -0.75 0.00 0.00 64.21 64.44 1x67 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x67 n SER 3 N -2.21 -2.23 0.00 -3.46 7.64 -1.26 -4.99 113.62 107.11 1x67 n SER 3 Ca -0.12 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1x67 n SER 3 Cb 0.65 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 1x67 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x67 n GLY 4 N -1.53 0.62 3.66 0.23 0.00 -1.26 -4.98 105.19 101.93 1x67 n GLY 4 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.00 6.92 -0.18 1.61 0.01 -1.26 -4.92 113.70 114.88 1x67 s SER 5 Ca 0.00 1.13 -0.02 0.00 1.31 0.00 0.00 55.95 58.37 1x67 s SER 5 Cb 0.00 -2.45 -0.11 0.00 0.21 0.00 0.00 66.02 63.68 1x67 s SER 5 CO 0.00 -0.43 -0.19 -1.54 0.41 0.00 0.00 173.24 171.49 1x67 n SER 6 N 5.45 2.21 0.00 2.44 3.41 -1.26 -5.04 113.62 120.83 1x67 n SER 6 Ca 0.05 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1x67 n SER 6 Cb 0.48 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1x67 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x67 n GLY 7 N 2.37 2.09 3.29 5.00 0.00 -1.26 -5.01 105.19 111.67 1x67 n GLY 7 Ca -0.34 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -1.77 -1.45 1.61 2.81 -1.26 -5.00 117.12 112.05 1x67 n MET 8 Ca 0.00 1.17 0.19 0.00 -1.81 0.00 0.00 57.70 57.25 1x67 n MET 8 Cb 0.00 -2.16 -0.07 0.00 -0.71 0.00 0.00 33.22 30.28 1x67 n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x67 n ALA 9 N -1.43 -3.79 -1.65 3.04 0.00 -1.26 -4.76 120.51 110.66 1x67 n ALA 9 Ca 0.01 0.66 -0.41 0.00 0.00 0.00 0.00 53.44 53.70 1x67 n ALA 9 Cb 0.40 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.44 1x67 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x67 n ALA 10 N -3.15 0.65 -0.08 0.00 0.00 -1.26 -4.87 120.51 111.78 1x67 n ALA 10 Ca -0.03 0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1x67 n ALA 10 Cb 0.68 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 1x67 n ALA 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x67 n ASN 11 N 0.34 1.86 -2.06 0.00 5.15 -1.26 -4.98 115.26 114.32 1x67 n ASN 11 Ca 0.08 0.39 -0.18 0.00 -0.60 0.00 0.00 54.58 54.27 1x67 n ASN 11 Cb 0.39 -0.76 -0.04 0.00 -0.53 0.00 0.00 39.78 38.84 1x67 n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x67 n LEU 12 N -4.45 -1.57 -0.11 1.20 4.32 -1.26 -4.85 117.00 110.28 1x67 n LEU 12 Ca -0.12 0.21 -0.21 0.00 -0.02 0.00 0.00 56.01 55.87 1x67 n LEU 12 Cb 0.45 -2.67 -0.08 0.00 -1.62 0.00 0.00 43.42 39.50 1x67 n LEU 12 CO 0.18 -0.50 -0.90 -1.20 -1.22 0.00 0.00 177.39 173.75 1x67 n SER 13 N -1.61 1.91 -0.09 -1.43 7.64 -1.26 -3.47 113.62 115.30 1x67 n SER 13 Ca -0.21 0.40 -0.06 0.00 1.01 0.00 0.00 58.87 60.02 1x67 n SER 13 Cb 0.64 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.01 -0.98 1.43 3.08 -1.94 -1.75 114.38 113.24 1x67 h ARG 14 Ca -0.39 -0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.01 1x67 h ARG 14 Cb 1.27 -0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.02 1x67 h ARG 14 CO -0.23 0.00 0.75 0.09 -1.07 0.00 0.00 179.97 179.51 1x67 n ASN 15 N -5.26 7.05 0.00 7.04 3.02 -1.26 -4.78 115.26 121.07 1x67 n ASN 15 Ca 0.01 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1x67 n ASN 15 Cb 0.19 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 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 -0.94 -2.83 0.34 7.41 0.00 -0.66 -0.81 105.19 107.71 1x67 n GLY 16 Ca 0.61 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.96 1x67 n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x67 h PRO 17 N 0.00 0.74 0.71 1.61 0.11 -1.86 -1.74 132.00 131.57 1x67 h PRO 17 Ca 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1x67 h PRO 17 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1x67 h PRO 17 CO 0.00 0.49 -0.50 0.00 -0.21 0.00 0.00 178.00 177.78 1x67 h ALA 18 N 1.59 -1.23 -0.10 -0.75 0.00 -1.88 0.56 119.26 117.45 1x67 h ALA 18 Ca 0.52 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1x67 h ALA 18 Cb 0.72 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1x67 h ALA 18 CO -0.35 -1.22 -0.25 -0.07 0.00 0.00 0.00 179.25 177.36 1x67 h LEU 19 N -1.15 -0.77 -0.81 0.00 3.38 -0.59 -1.59 115.31 113.78 1x67 h LEU 19 Ca -0.09 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1x67 h LEU 19 Cb 0.94 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 1x67 h LEU 19 CO 0.06 -0.30 0.40 -0.61 0.09 0.00 0.00 178.44 178.07 1x67 h GLN 20 N -0.33 0.58 0.02 1.13 4.15 -1.25 -1.84 115.11 117.57 1x67 h GLN 20 Ca 0.09 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1x67 h GLN 20 Cb 0.47 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 1x67 h GLN 20 CO -0.29 0.38 -0.24 1.49 -1.93 0.00 0.00 178.83 178.23 1x67 h GLU 21 N 0.59 -0.38 -0.05 1.69 4.81 0.08 0.26 114.58 121.59 1x67 h GLU 21 Ca 0.43 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1x67 h GLU 21 Cb 0.58 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1x67 h GLU 21 CO -0.35 -0.25 0.06 0.00 -0.73 0.00 0.00 179.01 177.74 1x67 h ALA 22 N 0.43 1.62 0.00 2.92 0.00 -0.80 -0.08 119.26 123.36 1x67 h ALA 22 Ca 0.06 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1x67 h ALA 22 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1x67 h ALA 22 CO -0.20 -0.08 -0.94 -0.92 0.00 0.00 0.00 179.25 177.10 1x67 h TYR 23 N 0.00 0.00 0.01 0.00 3.20 -0.31 -3.12 116.97 116.75 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 0.14 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1x67 h TYR 23 CO 0.00 0.60 -0.90 0.28 -1.64 0.00 0.00 178.16 176.49 1x67 h VAL 24 N 0.00 1.61 -0.01 1.81 2.07 0.13 -3.15 116.25 118.71 1x67 h VAL 24 Ca -0.07 -2.99 -0.05 0.00 0.82 0.00 0.00 66.70 64.41 1x67 h VAL 24 Cb 1.52 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1x67 h VAL 24 CO 0.07 0.86 -0.17 0.03 0.02 0.00 0.00 177.57 178.37 1x67 h ARG 25 N 0.02 0.14 -0.30 1.57 3.08 -1.43 -0.57 114.38 116.88 1x67 h ARG 25 Ca -0.02 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 59.99 1x67 h ARG 25 Cb 1.58 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 1x67 h ARG 25 CO 0.12 0.84 0.23 0.28 -1.07 0.00 0.00 179.97 180.37 1x67 h VAL 26 N -0.52 0.75 0.00 2.04 2.07 -1.64 -0.23 116.25 118.72 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 0.89 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1x67 h VAL 26 CO 0.03 0.00 -1.38 1.33 0.02 0.00 0.00 177.57 177.57 1x67 n VAL 27 N -4.29 0.82 -3.39 2.57 0.24 -1.19 -4.69 118.33 108.39 1x67 n VAL 27 Ca 0.04 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 1x67 n VAL 27 Cb 0.39 -0.47 -0.09 0.00 -1.47 0.00 0.00 33.84 32.20 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 5.17 0.24 3.34 2.01 -0.10 -4.93 115.64 118.22 1x67 s THR 28 Ca -0.03 -0.34 0.36 0.00 0.31 0.00 0.00 61.69 61.99 1x67 s THR 28 Cb 0.10 -3.94 0.41 0.00 0.01 0.00 0.00 72.50 69.08 1x67 s THR 28 CO 0.82 -0.29 2.08 1.05 -0.69 0.00 0.00 174.62 177.59 1x67 h GLU 29 N 8.63 0.00 -0.19 4.92 9.09 -1.87 -3.14 114.58 132.02 1x67 h GLU 29 Ca -0.28 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.19 1x67 h GLU 29 Cb 1.12 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 28.16 1x67 h GLU 29 CO 0.74 0.00 -0.28 -0.22 0.05 0.00 0.00 179.01 179.31 1x67 h LYS 30 N 0.00 -0.30 -7.01 1.06 1.63 -1.91 -3.42 116.57 106.61 1x67 h LYS 30 Ca 0.00 0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.34 1x67 h LYS 30 Cb 0.39 0.07 0.04 0.00 -0.60 0.00 0.00 32.23 32.13 1x67 h LYS 30 CO 0.00 -0.20 0.13 -1.12 -3.45 0.00 0.00 179.45 174.81 1x67 s SER 31 N -4.98 5.94 -0.76 4.20 0.01 -1.19 -5.01 113.70 111.91 1x67 s SER 31 Ca -0.15 0.81 -0.26 0.00 1.31 0.00 0.00 55.95 57.66 1x67 s SER 31 Cb 0.11 -1.97 0.04 0.00 0.21 0.00 0.00 66.02 64.41 1x67 s SER 31 CO 0.67 -0.81 1.24 -2.16 0.41 0.00 0.00 173.24 172.59 1x67 s PRO 32 N -4.85 3.23 -0.30 12.44 0.04 -1.26 -4.93 135.00 139.37 1x67 s PRO 32 Ca 0.50 -0.49 -0.05 0.00 0.04 0.00 0.00 61.00 61.00 1x67 s PRO 32 Cb -0.10 -4.34 0.17 0.00 0.04 0.00 0.00 34.50 30.26 1x67 s PRO 32 CO 0.45 -2.08 0.66 0.99 0.04 0.00 0.00 177.00 177.06 1x67 s THR 33 N 5.26 -0.93 -0.09 1.26 2.01 -1.26 -4.33 115.64 117.55 1x67 s THR 33 Ca 0.34 0.00 0.13 0.00 0.31 0.00 0.00 61.69 62.47 1x67 s THR 33 Cb -0.09 -1.00 -0.19 0.00 0.01 0.00 0.00 72.50 71.23 1x67 s THR 33 CO 0.11 0.00 0.15 -0.67 -0.69 0.00 0.00 174.62 173.52 1x67 n ASP 34 N 5.42 1.56 -3.62 3.53 -0.08 0.04 -4.43 116.55 118.97 1x67 n ASP 34 Ca -0.05 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.05 1x67 n ASP 34 Cb 0.51 1.16 -0.09 0.00 2.34 0.00 0.00 41.12 45.04 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 -2.60 1.60 -0.30 -0.67 1.48 -0.97 -2.12 118.94 115.36 1x67 s TRP 35 Ca -0.06 -1.57 -0.14 0.00 -1.06 0.00 0.00 56.10 53.26 1x67 s TRP 35 Cb 0.06 -0.70 0.17 0.00 -1.16 0.00 0.00 33.47 31.84 1x67 s TRP 35 CO 0.59 -0.78 1.00 0.00 -4.06 0.00 0.00 176.95 173.70 1x67 s ALA 36 N -3.63 -2.85 0.03 2.67 0.00 -0.86 -3.75 121.76 113.38 1x67 s ALA 36 Ca 0.40 1.92 -0.01 0.00 0.00 0.00 0.00 51.96 54.27 1x67 s ALA 36 Cb 0.04 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1x67 s ALA 36 CO 0.23 -1.06 0.17 -1.17 0.00 0.00 0.00 175.76 173.93 1x67 s LEU 37 N 2.54 4.25 -0.10 0.00 2.96 0.61 -1.87 118.68 127.07 1x67 s LEU 37 Ca -0.01 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1x67 s LEU 37 Cb -0.07 -2.69 0.04 0.00 0.50 0.00 0.00 46.19 43.98 1x67 s LEU 37 CO -0.16 0.22 0.07 -0.36 -1.32 0.00 0.00 176.35 174.79 1x67 s PHE 38 N -1.38 0.21 0.35 5.38 0.08 -0.80 -1.36 117.98 120.47 1x67 s PHE 38 Ca 0.30 -0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.36 1x67 s PHE 38 Cb -0.13 -0.62 -0.07 0.00 -0.57 0.00 0.00 43.02 41.64 1x67 s PHE 38 CO 0.22 -0.35 -0.01 -0.08 -0.10 0.00 0.00 175.22 174.91 1x67 s THR 39 N 2.12 1.76 1.05 0.64 -1.32 -0.47 -2.09 115.64 117.34 1x67 s THR 39 Ca 0.04 -2.06 -0.12 0.00 -1.21 0.00 0.00 61.69 58.34 1x67 s THR 39 Cb -0.14 -2.79 0.22 0.00 -1.51 0.00 0.00 72.50 68.28 1x67 s THR 39 CO -0.06 -0.09 1.07 -0.31 -2.21 0.00 0.00 174.62 173.02 1x67 s TYR 40 N -2.90 1.83 -0.01 9.09 1.51 -1.26 -0.19 117.35 125.41 1x67 s TYR 40 Ca 0.34 1.09 -0.02 0.00 -1.01 0.00 0.00 57.07 57.47 1x67 s TYR 40 Cb 0.07 -3.20 -0.01 0.00 -0.11 0.00 0.00 41.96 38.72 1x67 s TYR 40 CO 0.16 -3.23 0.23 0.93 -1.11 0.00 0.00 175.55 172.53 1x67 h GLU 41 N -2.15 -0.06 0.00 -0.62 5.08 -1.65 -3.43 114.58 111.75 1x67 h GLU 41 Ca -0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1x67 h GLU 41 Cb 1.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1x67 h GLU 41 CO 0.54 -0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 1x67 n GLY 42 N 1.31 -0.66 3.08 -3.84 0.00 -1.26 -4.97 105.19 98.84 1x67 n GLY 42 Ca -0.01 0.85 -0.22 0.00 0.00 0.00 0.00 46.02 46.64 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 -5.61 -3.52 1.61 2.85 -1.26 -4.95 115.26 104.37 1x67 n ASN 43 Ca 0.00 -0.30 -0.15 0.00 -0.11 0.00 0.00 54.58 54.02 1x67 n ASN 43 Cb 0.00 -4.55 -0.05 0.00 1.24 0.00 0.00 39.78 36.41 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 -2.69 -0.56 -0.49 1.20 1.04 -1.26 -5.12 113.70 105.82 1x67 s SER 44 Ca 0.32 0.53 -0.28 0.00 0.48 0.00 0.00 55.95 56.99 1x67 s SER 44 Cb -0.15 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1x67 s SER 44 CO 0.39 -0.58 1.31 0.20 0.98 0.00 0.00 173.24 175.55 1x67 s ASN 45 N -1.39 6.37 -0.31 7.02 0.01 -1.26 -4.20 114.94 121.18 1x67 s ASN 45 Ca -0.07 0.49 -0.10 0.00 -0.71 0.00 0.00 52.86 52.47 1x67 s ASN 45 Cb -0.00 -2.55 0.21 0.00 0.41 0.00 0.00 41.25 39.32 1x67 s ASN 45 CO 0.05 -1.47 1.16 -1.81 -1.51 0.00 0.00 177.10 173.51 1x67 s ASP 46 N 3.56 -0.06 0.20 -1.22 1.01 -1.26 -4.30 116.67 114.60 1x67 s ASP 46 Ca 0.53 -0.06 -0.32 0.00 0.71 0.00 0.00 52.55 53.41 1x67 s ASP 46 Cb -0.10 0.08 -0.11 0.00 1.01 0.00 0.00 42.92 43.80 1x67 s ASP 46 CO 0.29 -0.00 1.68 -0.63 0.21 0.00 0.00 175.17 176.72 1x67 s ILE 47 N 1.31 2.19 0.16 0.77 -1.09 -1.26 -2.48 121.20 120.81 1x67 s ILE 47 Ca 0.20 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.78 1x67 s ILE 47 Cb 0.12 -3.09 -0.01 0.00 -1.58 0.00 0.00 42.46 37.90 1x67 s ILE 47 CO -0.13 0.01 0.11 -2.11 -1.23 0.00 0.00 174.94 171.59 1x67 n ARG 48 N 3.95 0.35 -2.64 2.79 1.85 0.74 -4.45 116.66 119.24 1x67 n ARG 48 Ca 0.15 -1.57 -0.37 0.00 -1.00 0.00 0.00 57.85 55.06 1x67 n ARG 48 Cb 0.36 1.17 -0.05 0.00 -1.05 0.00 0.00 32.46 32.89 1x67 n ARG 48 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1x67 s VAL 49 N -2.53 3.91 0.00 8.89 1.01 -1.26 -1.37 120.40 129.04 1x67 s VAL 49 Ca 0.16 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1x67 s VAL 49 Cb 0.01 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1x67 s VAL 49 CO 0.11 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1x67 n ALA 50 N 0.42 1.92 -3.63 5.51 0.00 -0.46 -4.64 120.51 119.63 1x67 n ALA 50 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1x67 n ALA 50 Cb 0.49 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.27 0.05 -0.16 0.00 0.00 -1.20 -4.97 107.32 97.76 1x67 s GLY 51 Ca 0.00 2.84 -0.14 0.00 0.00 0.00 0.00 44.72 47.41 1x67 s GLY 51 CO 0.00 1.47 0.42 -0.51 0.00 0.00 0.00 173.10 174.48 1x67 s THR 52 N -0.51 -0.00 0.02 0.90 -4.23 -1.26 -0.28 115.64 110.27 1x67 s THR 52 Ca 0.05 0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.29 1x67 s THR 52 Cb -0.03 -0.60 0.10 0.00 1.34 0.00 0.00 72.50 73.32 1x67 s THR 52 CO -0.08 0.00 1.24 -0.83 -0.54 0.00 0.00 174.62 174.42 1x67 s GLY 53 N 0.34 -0.20 -0.33 3.99 0.00 -1.25 -5.02 107.32 104.85 1x67 s GLY 53 Ca -0.01 0.23 0.09 0.00 0.00 0.00 0.00 44.72 45.03 1x67 s GLY 53 CO -0.01 3.01 1.73 -2.21 0.00 0.00 0.00 173.10 175.62 1x67 n GLU 54 N -0.71 2.94 0.27 2.90 2.13 -1.26 -0.78 120.64 126.12 1x67 n GLU 54 Ca -0.02 -3.07 0.17 0.00 0.66 0.00 0.00 57.16 54.90 1x67 n GLU 54 Cb 0.60 -2.09 0.65 0.00 0.27 0.00 0.00 31.44 30.87 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 1.87 0.00 0.00 8.31 0.00 -1.96 -3.44 103.07 107.85 1x67 h GLY 55 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1x67 h GLY 55 CO 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 1x67 n GLY 56 N 0.10 0.65 0.09 4.60 0.00 -1.26 -4.27 105.19 105.10 1x67 n GLY 56 Ca 0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 1x67 n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x67 n LEU 57 N 0.00 0.85 0.11 0.99 4.77 -1.26 -3.26 117.00 119.21 1x67 n LEU 57 Ca 0.00 0.38 -0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1x67 n LEU 57 Cb 0.00 0.09 0.29 0.00 -2.33 0.00 0.00 43.42 41.47 1x67 n LEU 57 CO 0.00 0.17 0.74 -0.33 -1.33 0.00 0.00 177.39 176.64 1x67 h GLU 58 N 0.00 0.21 0.13 3.23 5.08 -1.96 -2.60 114.58 118.67 1x67 h GLU 58 Ca -0.18 -0.08 -0.31 0.00 -1.00 0.00 0.00 59.36 57.79 1x67 h GLU 58 Cb 1.63 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 1x67 h GLU 58 CO 0.05 0.51 -1.53 1.49 -1.00 0.00 0.00 179.01 178.53 1x67 h GLU 59 N 0.19 0.28 0.09 2.33 4.57 -1.74 -3.19 114.58 117.10 1x67 h GLU 59 Ca 0.03 -0.47 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1x67 h GLU 59 Cb 0.65 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1x67 h GLU 59 CO 0.05 1.15 -0.12 1.98 -1.18 0.00 0.00 179.01 180.89 1x67 h MET 60 N 0.08 -0.24 0.00 1.92 4.05 -1.51 -1.95 114.93 117.28 1x67 h MET 60 Ca -0.24 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.16 1x67 h MET 60 Cb 2.03 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.88 1x67 h MET 60 CO 0.17 -0.16 -0.15 -0.39 0.23 0.00 0.00 176.91 176.61 1x67 h VAL 61 N -0.25 0.88 0.00 -5.77 -1.51 -1.62 -1.79 116.25 106.19 1x67 h VAL 61 Ca 0.01 -0.57 -0.04 0.00 -1.23 0.00 0.00 66.70 64.88 1x67 h VAL 61 Cb 0.25 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 1x67 h VAL 61 CO -0.05 0.15 -0.19 -0.33 -1.23 0.00 0.00 177.57 175.92 1x67 h GLU 62 N 0.00 0.00 0.00 5.19 4.39 -1.34 -2.51 114.58 120.31 1x67 h GLU 62 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1x67 h GLU 62 Cb 0.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1x67 h GLU 62 CO 0.02 0.19 -1.38 0.93 -1.16 0.00 0.00 179.01 177.61 1x67 h GLU 63 N 0.00 0.00 -6.33 2.33 4.39 -1.02 -3.46 114.58 110.49 1x67 h GLU 63 Ca -0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.07 1x67 h GLU 63 Cb 0.41 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1x67 h GLU 63 CO 0.02 0.61 0.94 1.28 -1.16 0.00 0.00 179.01 180.71 1x67 n LEU 64 N -3.12 3.10 -4.45 1.33 4.77 -0.95 -4.95 117.00 112.73 1x67 n LEU 64 Ca -0.10 1.03 -0.37 0.00 -0.03 0.00 0.00 56.01 56.54 1x67 n LEU 64 Cb 0.97 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1x67 n LEU 64 CO 0.45 -0.23 -0.25 0.21 -1.33 0.00 0.00 177.39 176.24 1x67 s ASN 65 N 2.84 5.33 -0.73 -1.43 2.47 -1.26 -5.02 114.94 117.15 1x67 s ASN 65 Ca 0.89 -0.31 -0.26 0.00 0.42 0.00 0.00 52.86 53.59 1x67 s ASN 65 Cb -0.75 -1.96 -0.02 0.00 -1.45 0.00 0.00 41.25 37.07 1x67 s ASN 65 CO 0.49 -0.09 1.82 -0.94 -3.72 0.00 0.00 177.10 174.65 1x67 s SER 66 N 1.62 5.37 0.00 -4.21 1.04 -1.26 -2.85 113.70 113.41 1x67 s SER 66 Ca 0.06 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1x67 s SER 66 Cb -0.16 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x67 s SER 66 CO 0.05 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.48 1x67 n GLY 67 N 6.06 0.35 3.11 7.32 0.00 -1.26 -4.64 105.19 116.13 1x67 n GLY 67 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 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 1.34 0.09 1.61 1.02 -1.13 -3.68 119.74 118.98 1x67 s LYS 68 Ca 0.00 -0.52 -0.31 0.00 0.02 0.00 0.00 55.97 55.16 1x67 s LYS 68 Cb 0.00 -1.25 -0.07 0.00 -0.52 0.00 0.00 37.83 35.99 1x67 s LYS 68 CO 0.00 0.27 1.35 0.08 -0.92 0.00 0.00 175.35 176.13 1x67 s VAL 69 N -0.16 3.52 0.23 3.17 1.01 -1.26 -4.16 120.40 122.74 1x67 s VAL 69 Ca 0.02 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 1x67 s VAL 69 Cb -0.08 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1x67 s VAL 69 CO 0.00 0.07 0.26 -0.04 0.00 0.00 0.00 175.10 175.40 1x67 s MET 70 N 1.30 1.38 -0.05 2.72 -1.94 -0.82 -4.56 119.30 117.33 1x67 s MET 70 Ca 0.63 -1.55 0.05 0.00 -1.71 0.00 0.00 55.69 53.11 1x67 s MET 70 Cb -0.34 0.34 -0.01 0.00 2.01 0.00 0.00 34.83 36.83 1x67 s MET 70 CO 0.29 -0.51 -0.21 0.71 -0.01 0.00 0.00 175.02 175.30 1x67 s TYR 71 N -4.00 2.05 -0.08 -0.03 1.51 -0.89 -1.69 117.35 114.21 1x67 s TYR 71 Ca 0.34 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1x67 s TYR 71 Cb 0.04 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1x67 s TYR 71 CO 0.13 -0.21 -0.12 0.00 -1.11 0.00 0.00 175.55 174.24 1x67 s ALA 72 N -0.00 2.71 -0.29 3.71 0.00 -0.57 -1.90 121.76 125.41 1x67 s ALA 72 Ca -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1x67 s ALA 72 Cb -0.13 -1.11 0.09 0.00 0.00 0.00 0.00 23.12 21.98 1x67 s ALA 72 CO 0.03 0.44 0.09 0.12 0.00 0.00 0.00 175.76 176.45 1x67 s PHE 73 N -0.33 1.43 0.37 0.00 5.36 -0.78 -1.44 117.98 122.59 1x67 s PHE 73 Ca 0.03 -1.51 0.08 0.00 -0.96 0.00 0.00 56.93 54.58 1x67 s PHE 73 Cb -0.13 -1.51 -0.03 0.00 -0.34 0.00 0.00 43.02 41.01 1x67 s PHE 73 CO 0.02 -0.84 0.26 0.00 -1.46 0.00 0.00 175.22 173.21 1x67 s ARG 75 N -3.98 0.11 0.34 0.00 3.52 -0.90 -1.88 118.95 116.16 1x67 s ARG 75 Ca 0.42 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 1x67 s ARG 75 Cb -0.03 -1.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.02 1x67 s ARG 75 CO 0.25 -0.60 0.10 0.14 -0.81 0.00 0.00 175.30 174.37 1x67 s VAL 76 N 2.25 0.81 -0.01 7.11 -7.23 -1.18 -4.90 120.40 117.25 1x67 s VAL 76 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1x67 s VAL 76 Cb -0.15 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1x67 s VAL 76 CO -0.10 0.00 0.21 -1.59 -0.31 0.00 0.00 175.10 173.32 1x67 s LYS 77 N -3.85 3.49 0.67 4.82 -2.85 -1.26 -0.13 119.74 120.63 1x67 s LYS 77 Ca 0.32 -0.22 -0.11 0.00 -1.00 0.00 0.00 55.97 54.96 1x67 s LYS 77 Cb 0.06 -3.09 -0.01 0.00 -2.06 0.00 0.00 37.83 32.74 1x67 s LYS 77 CO 0.15 0.67 1.07 -0.51 0.10 0.00 0.00 175.35 176.82 1x67 s ASP 78 N -1.83 5.73 -0.07 0.03 1.11 -1.11 -4.86 116.67 115.67 1x67 s ASP 78 Ca 0.27 1.28 -0.25 0.00 0.18 0.00 0.00 52.55 54.03 1x67 s ASP 78 Cb -0.13 -2.18 -0.26 0.00 1.07 0.00 0.00 42.92 41.42 1x67 s ASP 78 CO 0.17 -1.18 0.94 1.55 1.18 0.00 0.00 175.17 177.84 1x67 h PRO 79 N -0.54 0.15 0.10 8.23 0.13 -1.92 -2.11 132.00 136.04 1x67 h PRO 79 Ca -0.45 -0.20 -0.25 0.00 -0.87 0.00 0.00 66.00 64.23 1x67 h PRO 79 Cb 1.23 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1x67 h PRO 79 CO 0.63 1.00 -1.30 -2.95 -0.23 0.00 0.00 178.00 175.15 1x67 h ASN 80 N -0.60 0.33 0.28 1.44 7.08 -1.95 -3.40 115.58 118.76 1x67 h ASN 80 Ca -0.04 -0.83 -0.01 0.00 -3.08 0.00 0.00 56.30 52.33 1x67 h ASN 80 Cb 1.13 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 37.26 1x67 h ASN 80 CO 0.06 1.57 -0.14 -1.28 -2.08 0.00 0.00 177.43 175.56 1x67 h SER 81 N -0.41 -0.32 0.00 6.14 0.87 -1.97 -3.48 113.55 114.38 1x67 h SER 81 Ca -0.29 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1x67 h SER 81 Cb 1.67 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 1x67 h SER 81 CO 0.03 0.16 0.00 0.61 -0.53 0.00 0.00 176.83 177.10 1x67 n GLY 82 N 0.62 0.57 3.69 5.77 0.00 -0.79 -4.92 105.19 110.12 1x67 n GLY 82 Ca -0.06 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 3.43 -0.44 0.99 1.43 -1.26 -4.65 118.68 118.18 1x67 s LEU 83 Ca 0.00 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.54 1x67 s LEU 83 Cb 0.00 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1x67 s LEU 83 CO 0.00 0.11 1.92 -2.16 0.23 0.00 0.00 176.35 176.46 1x67 s PRO 84 N -2.77 2.93 0.48 1.29 0.04 -1.26 -2.74 135.00 132.96 1x67 s PRO 84 Ca 0.27 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1x67 s PRO 84 Cb -0.10 -4.32 0.02 0.00 0.04 0.00 0.00 34.50 30.14 1x67 s PRO 84 CO 0.19 -2.34 0.67 0.15 0.04 0.00 0.00 177.00 175.71 1x67 s LYS 85 N 6.49 2.68 -0.16 4.56 -0.14 0.82 -4.92 119.74 129.06 1x67 s LYS 85 Ca 0.79 -1.04 0.01 0.00 -1.36 0.00 0.00 55.97 54.37 1x67 s LYS 85 Cb -0.19 -2.63 0.01 0.00 -1.68 0.00 0.00 37.83 33.34 1x67 s LYS 85 CO 0.28 -0.49 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.14 1x67 s PHE 86 N -2.54 2.75 -0.17 3.18 0.08 -1.26 -3.09 117.98 116.93 1x67 s PHE 86 Ca 0.56 -1.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.15 1x67 s PHE 86 Cb -0.10 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1x67 s PHE 86 CO 0.36 -0.68 -0.03 0.08 -0.10 0.00 0.00 175.22 174.85 1x67 s VAL 87 N 1.07 3.83 -0.25 -0.44 1.01 -0.79 -0.11 120.40 124.72 1x67 s VAL 87 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1x67 s VAL 87 Cb -0.14 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1x67 s VAL 87 CO -0.07 0.47 -0.02 -0.22 0.00 0.00 0.00 175.10 175.26 1x67 s LEU 88 N 0.65 3.25 -0.13 3.92 2.96 -1.14 -2.38 118.68 125.81 1x67 s LEU 88 Ca -0.02 -0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1x67 s LEU 88 Cb -0.14 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x67 s LEU 88 CO 0.02 -0.10 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.26 1x67 s ILE 89 N 1.42 3.72 -1.14 6.68 1.01 -0.52 -1.01 121.20 131.37 1x67 s ILE 89 Ca 0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 1x67 s ILE 89 Cb -0.16 -2.59 0.26 0.00 0.01 0.00 0.00 42.46 39.98 1x67 s ILE 89 CO -0.02 0.53 1.45 0.59 0.00 0.00 0.00 174.94 177.48 1x67 n ASN 90 N 3.17 5.83 -4.67 3.58 3.02 0.36 -1.52 115.26 125.03 1x67 n ASN 90 Ca -0.18 -3.21 -0.50 0.00 -0.03 0.00 0.00 54.58 50.66 1x67 n ASN 90 Cb 0.53 -1.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.28 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 2.58 2.13 -3.44 3.10 -0.00 -0.68 -3.90 117.44 117.22 1x67 n TRP 91 Ca 0.29 0.28 -0.28 0.00 -0.00 0.00 0.00 57.50 57.79 1x67 n TRP 91 Cb 0.36 -2.54 -0.11 0.00 -0.00 0.00 0.00 31.31 29.02 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 2.56 0.20 0.62 5.87 2.01 -1.19 -1.95 115.64 123.76 1x67 s THR 92 Ca 0.89 -1.98 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 1x67 s THR 92 Cb -0.81 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 70.48 1x67 s THR 92 CO 0.50 -1.06 0.72 0.61 -0.69 0.00 0.00 174.62 174.70 1x67 n GLY 93 N 3.70 -0.98 0.15 4.40 0.00 -1.26 -4.42 105.19 106.78 1x67 n GLY 93 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.19 0.00 -0.06 1.61 5.08 -1.87 -3.00 114.58 116.53 1x67 h GLU 94 Ca -0.47 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 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 0.48 0.54 0.09 0.78 -1.00 0.00 0.00 179.01 179.89 1x67 h GLY 95 N 1.91 0.00 -6.87 -3.84 0.00 -1.82 -3.40 103.07 89.04 1x67 h GLY 95 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1x67 h GLY 95 CO 0.07 0.00 1.25 0.14 0.00 0.00 0.00 176.54 178.00 1x67 s VAL 96 N -4.48 3.53 0.82 4.60 1.01 -1.13 -4.96 120.40 119.78 1x67 s VAL 96 Ca -0.05 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 1x67 s VAL 96 Cb 0.14 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1x67 s VAL 96 CO 0.50 -0.45 0.51 -0.46 0.00 0.00 0.00 175.10 175.19 1x67 n ASN 97 N 10.05 -1.45 -0.34 3.32 6.94 -1.26 -4.65 115.26 127.87 1x67 n ASN 97 Ca 0.22 0.49 -0.02 0.00 -0.02 0.00 0.00 54.58 55.25 1x67 n ASN 97 Cb 0.47 -1.22 0.13 0.00 -2.36 0.00 0.00 39.78 36.80 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 -0.85 1.09 -0.35 0.53 3.32 -1.93 -1.25 116.42 116.98 1x67 h ASP 98 Ca -0.45 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 56.66 1x67 h ASP 98 Cb 1.32 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1x67 h ASP 98 CO 0.39 0.81 0.34 0.58 -1.72 0.00 0.00 179.24 179.64 1x67 h VAL 99 N 1.28 0.49 0.09 -1.35 2.07 -2.01 -1.18 116.25 115.63 1x67 h VAL 99 Ca 0.34 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.51 1x67 h VAL 99 Cb -0.11 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1x67 h VAL 99 CO -0.07 0.00 -1.99 -1.14 0.02 0.00 0.00 177.57 174.39 1x67 n ARG 100 N -3.88 0.73 -0.28 1.57 3.00 -0.56 -3.74 116.66 113.49 1x67 n ARG 100 Ca 0.06 0.25 0.06 0.00 -0.00 0.00 0.00 57.85 58.21 1x67 n ARG 100 Cb 0.50 -1.71 0.20 0.00 0.00 0.00 0.00 32.46 31.46 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 0.05 0.58 0.00 -0.14 1.57 -0.32 0.27 116.57 118.58 1x67 h LYS 101 Ca -0.41 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.21 1x67 h LYS 101 Cb 2.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 1x67 h LYS 101 CO 0.07 0.38 -0.59 0.78 -0.57 0.00 0.00 179.45 179.52 1x67 h GLY 102 N 0.59 0.00 1.63 3.86 0.00 -1.61 -2.57 103.07 104.97 1x67 h GLY 102 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.54 1x67 h GLY 102 CO -0.35 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.26 1x67 h ALA 103 N 1.41 0.40 0.00 3.60 0.00 -1.11 -3.22 119.26 120.34 1x67 h ALA 103 Ca -0.01 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 1x67 h ALA 103 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1x67 h ALA 103 CO 0.08 0.86 -0.66 0.00 0.00 0.00 0.00 179.25 179.53 1x67 h ALA 105 N 1.34 2.14 -0.16 0.00 0.00 -1.46 0.20 119.26 121.32 1x67 h ALA 105 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1x67 h ALA 105 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1x67 h ALA 105 CO 0.09 -0.39 -0.15 1.03 0.00 0.00 0.00 179.25 179.82 1x67 h SER 106 N 0.44 0.25 0.88 0.00 0.87 -1.68 -2.42 113.55 111.89 1x67 h SER 106 Ca 0.43 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.76 1x67 h SER 106 Cb 1.01 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1x67 h SER 106 CO -0.16 0.43 -0.82 0.45 -0.53 0.00 0.00 176.83 176.20 1x67 h HIS 107 N 0.25 0.00 -0.92 2.24 3.86 -0.77 -3.24 115.15 116.57 1x67 h HIS 107 Ca 0.05 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.34 1x67 h HIS 107 Cb 0.43 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 1x67 h HIS 107 CO 0.01 0.82 0.60 0.28 0.86 0.00 0.00 177.93 180.50 1x67 h VAL 108 N 0.00 1.02 -0.66 2.45 2.07 -0.86 0.99 116.25 121.25 1x67 h VAL 108 Ca -0.01 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1x67 h VAL 108 Cb 1.49 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1x67 h VAL 108 CO 0.11 0.18 0.44 -1.28 0.02 0.00 0.00 177.57 177.04 1x67 h SER 109 N 0.99 0.74 0.00 0.57 0.87 -1.57 0.24 113.55 115.37 1x67 h SER 109 Ca 0.41 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1x67 h SER 109 Cb 0.30 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1x67 h SER 109 CO -0.17 0.52 -0.07 0.74 -0.53 0.00 0.00 176.83 177.32 1x67 h THR 110 N 0.87 1.19 -0.57 2.23 2.02 -1.34 -3.26 112.91 114.04 1x67 h THR 110 Ca 0.25 -1.91 0.07 0.00 0.77 0.00 0.00 66.41 65.59 1x67 h THR 110 Cb -0.05 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 1x67 h THR 110 CO -0.06 0.40 0.25 0.24 0.37 0.00 0.00 175.52 176.73 1x67 h MET 111 N -1.00 0.46 -0.82 6.66 2.07 -0.79 -1.64 114.93 119.87 1x67 h MET 111 Ca -0.02 -0.03 0.15 0.00 -2.07 0.00 0.00 59.70 57.73 1x67 h MET 111 Cb 0.71 -0.10 -0.10 0.00 -1.87 0.00 0.00 31.60 30.24 1x67 h MET 111 CO -0.01 0.30 0.39 0.00 1.07 0.00 0.00 176.91 178.67 1x67 h ALA 112 N 1.35 1.22 -0.40 6.32 0.00 -0.68 0.07 119.26 127.13 1x67 h ALA 112 Ca 0.27 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1x67 h ALA 112 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1x67 h ALA 112 CO -0.23 -0.14 -0.19 0.77 0.00 0.00 0.00 179.25 179.46 1x67 h SER 113 N 0.55 0.78 0.62 0.00 0.02 -1.37 -3.22 113.55 110.94 1x67 h SER 113 Ca 0.45 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1x67 h SER 113 Cb 0.67 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.00 1x67 h SER 113 CO -0.38 0.96 -0.30 0.15 -1.14 0.00 0.00 176.83 176.12 1x67 h PHE 114 N 0.69 -0.77 -0.14 3.45 3.57 -0.31 -3.11 116.94 120.32 1x67 h PHE 114 Ca 0.10 -0.02 -0.57 0.00 3.53 0.00 0.00 57.97 61.01 1x67 h PHE 114 Cb 0.69 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1x67 h PHE 114 CO 0.04 -0.48 2.72 1.28 -2.23 0.00 0.00 178.31 179.64 1x67 n LEU 115 N -5.44 7.90 -4.49 0.59 4.77 -0.62 -4.95 117.00 114.75 1x67 n LEU 115 Ca -0.13 -4.16 -0.28 0.00 -0.03 0.00 0.00 56.01 51.41 1x67 n LEU 115 Cb 0.34 -1.50 0.26 0.00 -2.33 0.00 0.00 43.42 40.18 1x67 n LEU 115 CO 0.38 1.99 0.51 -0.54 -1.33 0.00 0.00 177.39 178.40 1x67 s LYS 116 N 1.49 -1.03 0.00 3.23 -0.14 -1.18 -3.77 119.74 118.34 1x67 s LYS 116 Ca 0.68 0.77 0.00 0.00 -1.36 0.00 0.00 55.97 56.05 1x67 s LYS 116 Cb 0.22 -1.55 0.00 0.00 -1.68 0.00 0.00 37.83 34.82 1x67 s LYS 116 CO -0.06 -3.78 0.00 0.41 -0.76 0.00 0.00 175.35 171.17 1x67 n GLY 117 N 0.73 3.11 3.51 -3.33 0.00 -1.26 -4.98 105.19 102.96 1x67 n GLY 117 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1x67 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x67 n ALA 118 N -1.20 0.77 0.19 4.61 0.00 -1.25 -4.30 120.51 119.33 1x67 n ALA 118 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 53.44 52.98 1x67 n ALA 118 Cb 0.00 -2.76 0.38 0.00 0.00 0.00 0.00 19.45 17.07 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 15.38 0.01 -2.65 0.00 3.86 -0.90 -3.41 115.15 127.44 1x67 h HIS 119 Ca -0.20 -0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.73 1x67 h HIS 119 Cb 1.29 -0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.42 1x67 h HIS 119 CO 0.99 0.35 -0.59 0.08 0.86 0.00 0.00 177.93 179.62 1x67 s VAL 120 N -4.27 -0.36 -0.48 2.45 1.01 -1.25 -5.09 120.40 112.42 1x67 s VAL 120 Ca -0.03 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 1x67 s VAL 120 Cb 0.15 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.99 1x67 s VAL 120 CO 0.72 -0.07 0.63 -0.89 0.00 0.00 0.00 175.10 175.48 1x67 s THR 121 N 2.36 4.86 -0.15 3.92 2.01 -1.26 -2.90 115.64 124.47 1x67 s THR 121 Ca 0.05 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 1x67 s THR 121 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1x67 s THR 121 CO -0.11 -0.72 0.11 -0.63 -0.69 0.00 0.00 174.62 172.59 1x67 s ILE 122 N 2.70 5.26 -0.89 1.82 1.01 -0.18 -5.00 121.20 125.92 1x67 s ILE 122 Ca 0.18 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1x67 s ILE 122 Cb -0.17 -3.33 0.22 0.00 0.01 0.00 0.00 42.46 39.19 1x67 s ILE 122 CO 0.14 0.54 0.79 0.20 0.00 0.00 0.00 174.94 176.62 1x67 s ASN 123 N -0.37 6.16 0.63 3.58 0.01 -1.26 -0.49 114.94 123.19 1x67 s ASN 123 Ca 0.11 -3.55 -0.01 0.00 -0.71 0.00 0.00 52.86 48.69 1x67 s ASN 123 Cb -0.12 -1.96 0.05 0.00 0.41 0.00 0.00 41.25 39.63 1x67 s ASN 123 CO 0.01 -0.24 0.36 0.00 -1.51 0.00 0.00 177.10 175.72 1x67 n ALA 124 N 2.61 -0.08 0.00 0.60 0.00 -1.25 -4.94 120.51 117.44 1x67 n ALA 124 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1x67 n ALA 124 Cb 0.38 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1x67 n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x67 n ARG 125 N -1.69 0.00 -3.17 0.00 1.74 -1.26 -3.20 116.66 109.08 1x67 n ARG 125 Ca 0.05 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.94 1x67 n ARG 125 Cb 0.19 -0.16 0.01 0.00 -1.02 0.00 0.00 32.46 31.48 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 -1.21 4.24 0.23 7.54 0.00 -1.26 -4.11 121.76 127.18 1x67 s ALA 126 Ca 0.00 -1.47 0.21 0.00 0.00 0.00 0.00 51.96 50.71 1x67 s ALA 126 Cb 0.00 -1.76 0.91 0.00 0.00 0.00 0.00 23.12 22.26 1x67 s ALA 126 CO 0.00 -0.24 1.84 0.93 0.00 0.00 0.00 175.76 178.29 1x67 h GLU 127 N 0.66 0.00 0.00 0.00 5.08 -1.97 -2.63 114.58 115.71 1x67 h GLU 127 Ca -0.43 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1x67 h GLU 127 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1x67 h GLU 127 CO 0.51 0.28 -0.32 0.93 -1.00 0.00 0.00 179.01 179.41 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.39 -2.01 -2.97 114.58 115.48 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 1x67 h GLU 128 Cb 0.72 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.24 1x67 h GLU 128 CO 0.04 0.32 0.27 -0.25 -1.16 0.00 0.00 179.01 178.22 1x67 n ASP 129 N -3.36 4.14 -0.96 1.42 9.92 -0.99 -3.98 116.55 122.74 1x67 n ASP 129 Ca 0.01 -3.01 -0.01 0.00 -0.53 0.00 0.00 54.79 51.25 1x67 n ASP 129 Cb 0.53 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 40.28 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1x67 n VAL 130 N -0.18 0.00 -2.06 2.53 0.24 -1.12 -4.64 118.33 113.10 1x67 n VAL 130 Ca 0.35 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.34 62.05 1x67 n VAL 130 Cb 1.22 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 3.20 0.17 7.34 8.01 -1.23 -4.83 118.70 131.35 1x67 s GLU 131 Ca 0.10 0.45 -0.23 0.00 0.01 0.00 0.00 54.97 55.30 1x67 s GLU 131 Cb 0.12 -2.13 0.07 0.00 -4.31 0.00 0.00 34.13 27.88 1x67 s GLU 131 CO -0.05 -0.72 1.60 -1.35 0.01 0.00 0.00 175.26 174.74 1x67 h PRO 132 N -0.35 -0.23 -0.46 0.39 0.11 -1.95 0.89 132.00 130.40 1x67 h PRO 132 Ca -0.45 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1x67 h PRO 132 Cb 1.23 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1x67 h PRO 132 CO 0.62 -0.16 -0.12 0.93 -0.21 0.00 0.00 178.00 179.06 1x67 h GLU 133 N -0.24 0.84 0.00 1.05 5.08 -1.97 0.20 114.58 119.53 1x67 h GLU 133 Ca 0.18 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x67 h GLU 133 Cb 0.54 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x67 h GLU 133 CO -0.55 0.92 -0.08 0.00 -1.00 0.00 0.00 179.01 178.30 1x67 n ILE 135 N -4.03 1.60 -0.06 0.00 5.41 0.19 -4.27 119.36 118.19 1x67 n ILE 135 Ca -0.03 -0.33 0.03 0.00 1.00 0.00 0.00 62.75 63.43 1x67 n ILE 135 Cb 0.16 -1.86 0.38 0.00 -0.71 0.00 0.00 39.64 37.61 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 -0.59 0.65 -0.19 0.38 2.86 -0.51 -0.68 114.93 116.86 1x67 h MET 136 Ca -0.46 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.19 1x67 h MET 136 Cb 1.63 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 1x67 h MET 136 CO -0.15 0.43 0.15 0.93 1.06 0.00 0.00 176.91 179.32 1x67 h GLU 137 N 0.67 0.00 0.00 1.72 4.39 -1.12 -1.41 114.58 118.83 1x67 h GLU 137 Ca 0.19 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.65 1x67 h GLU 137 Cb -0.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1x67 h GLU 137 CO -0.04 0.00 -1.86 1.63 -1.16 0.00 0.00 179.01 177.57 1x67 n LYS 138 N -4.32 0.65 0.11 2.33 5.02 -0.46 -4.08 118.16 117.40 1x67 n LYS 138 Ca 0.02 0.11 0.03 0.00 -2.02 0.00 0.00 58.31 56.44 1x67 n LYS 138 Cb 0.28 -1.67 0.41 0.00 -0.02 0.00 0.00 35.03 34.02 1x67 n LYS 138 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x67 h VAL 139 N 0.00 1.16 -0.01 -0.18 2.07 -0.11 -2.27 116.25 116.90 1x67 h VAL 139 Ca -0.29 -0.65 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 1x67 h VAL 139 Cb 1.81 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1x67 h VAL 139 CO 0.04 0.21 -0.75 0.00 0.02 0.00 0.00 177.57 177.09 1x67 h ALA 140 N 1.68 0.73 -1.34 1.67 0.00 -1.57 -3.43 119.26 117.00 1x67 h ALA 140 Ca 0.06 -0.66 -0.49 0.00 0.00 0.00 0.00 54.91 53.81 1x67 h ALA 140 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x67 h ALA 140 CO 0.01 0.88 1.63 0.45 0.00 0.00 0.00 179.25 182.23 1x67 n SER 141 N -3.70 2.05 -4.25 0.00 2.88 -0.86 -4.90 113.62 104.85 1x67 n SER 141 Ca -0.02 -0.27 -0.14 0.00 -1.33 0.00 0.00 58.87 57.11 1x67 n SER 141 Cb 0.72 -1.45 -0.10 0.00 -0.75 0.00 0.00 64.21 62.63 1x67 n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x67 s GLY 142 N 11.03 1.53 0.04 0.46 0.00 -1.26 -5.04 107.32 114.07 1x67 s GLY 142 Ca 1.05 -1.75 -0.31 0.00 0.00 0.00 0.00 44.72 43.72 1x67 s GLY 142 CO 0.32 -1.50 1.37 2.56 0.00 0.00 0.00 173.10 175.85 1x67 s PRO 143 N -4.07 4.32 -0.50 2.90 0.04 -1.26 -4.96 135.00 131.46 1x67 s PRO 143 Ca 0.36 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.42 1x67 s PRO 143 Cb 0.07 -3.45 0.20 0.00 0.04 0.00 0.00 34.50 31.37 1x67 s PRO 143 CO 0.11 -0.49 0.79 0.43 0.04 0.00 0.00 177.00 177.89 1x67 n SER 144 N 4.76 -3.20 -4.74 6.66 7.64 -1.26 -5.15 113.62 118.32 1x67 n SER 144 Ca 0.12 -2.83 -0.34 0.00 1.01 0.00 0.00 58.87 56.83 1x67 n SER 144 Cb 0.44 1.68 0.07 0.00 -1.01 0.00 0.00 64.21 65.39 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 0.42 4.67 0.00 6.43 0.01 -1.26 -5.31 113.70 118.66 1x67 s SER 145 Ca 0.30 2.20 0.00 0.00 1.31 0.00 0.00 55.95 59.76 1x67 s SER 145 Cb 0.05 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1x67 s SER 145 CO -0.09 -1.93 0.46 0.61 0.41 0.00 0.00 173.24 172.69