#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s GLN 3 N 0.00 3.16 -0.01 5.31 -0.21 -1.26 -3.96 119.66 122.69 2wri s GLN 3 Ca 0.00 -0.74 -0.10 0.00 0.02 0.00 0.00 55.36 54.53 2wri s GLN 3 Cb 0.00 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.18 2wri s GLN 3 CO 0.00 -0.21 0.32 0.71 -2.12 0.00 0.00 175.29 173.98 2wri s TYR 4 N 1.38 3.64 0.10 0.91 1.51 0.25 -4.91 117.35 120.23 2wri s TYR 4 Ca 0.05 0.76 0.03 0.00 -1.01 0.00 0.00 57.07 56.90 2wri s TYR 4 Cb -0.14 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 2wri s TYR 4 CO -0.08 0.64 -0.08 -0.47 -1.11 0.00 0.00 175.55 174.44 2wri s TYR 5 N -1.17 0.99 -0.28 2.71 6.04 -1.26 -0.04 117.35 124.34 2wri s TYR 5 Ca 0.24 -0.80 -0.27 0.00 0.04 0.00 0.00 57.07 56.28 2wri s TYR 5 Cb -0.14 -0.55 0.18 0.00 -1.04 0.00 0.00 41.96 40.41 2wri s TYR 5 CO 0.13 -0.07 1.32 0.20 -1.54 0.00 0.00 175.55 175.59 2wri s GLY 6 N -2.84 0.14 -0.16 8.97 0.00 -1.18 -3.75 107.32 108.49 2wri s GLY 6 Ca 0.10 3.01 -0.01 0.00 0.00 0.00 0.00 44.72 47.82 2wri s GLY 6 CO -0.02 1.49 -0.12 -1.59 0.00 0.00 0.00 173.10 172.86 2wri s THR 7 N -0.50 2.90 0.11 0.90 2.01 -1.26 -2.51 115.64 117.28 2wri s THR 7 Ca 0.07 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.47 2wri s THR 7 Cb -0.03 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2wri s THR 7 CO -0.10 0.50 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.29 2wri s GLY 8 N 0.86 1.64 -0.12 4.40 0.00 -0.89 -4.55 107.32 108.67 2wri s GLY 8 Ca -0.04 -1.37 -0.09 0.00 0.00 0.00 0.00 44.72 43.22 2wri s GLY 8 CO -0.00 -1.34 0.30 0.50 0.00 0.00 0.00 173.10 172.56 2wri s ARG 9 N -2.03 0.32 -0.40 2.90 0.52 -1.26 -0.44 118.95 118.57 2wri s ARG 9 Ca 0.16 0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.88 2wri s ARG 9 Cb -0.10 0.09 0.16 0.00 0.52 0.00 0.00 34.95 35.62 2wri s ARG 9 CO 0.08 -0.08 0.31 1.03 0.02 0.00 0.00 175.30 176.67 2wri s ARG 10 N 0.49 0.85 -0.21 3.54 0.52 -0.59 -4.83 118.95 118.72 2wri s ARG 10 Ca -0.03 -1.95 -0.08 0.00 -0.52 0.00 0.00 55.73 53.14 2wri s ARG 10 Cb -0.04 -1.43 0.03 0.00 0.52 0.00 0.00 34.95 34.02 2wri s ARG 10 CO -0.03 -1.34 0.17 1.17 0.02 0.00 0.00 175.30 175.29 2wri n LYS 11 N 3.11 -4.09 0.00 3.54 4.81 -1.26 -3.50 118.16 120.77 2wri n LYS 11 Ca 0.25 3.14 0.00 0.00 -0.87 0.00 0.00 58.31 60.83 2wri n LYS 11 Cb 0.45 -4.89 0.00 0.00 0.02 0.00 0.00 35.03 30.61 2wri n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wri n GLU 12 N 1.48 0.00 -3.97 1.64 -0.58 -1.26 -4.85 120.64 113.09 2wri n GLU 12 Ca -0.28 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.11 2wri n GLU 12 Cb 0.45 -3.19 -0.10 0.00 -0.57 0.00 0.00 31.44 28.02 2wri n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wri s ALA 13 N -1.23 3.35 -0.09 0.62 0.00 -1.23 -3.37 121.76 119.82 2wri s ALA 13 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2wri s ALA 13 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2wri s ALA 13 CO 0.00 0.04 -0.20 0.08 0.00 0.00 0.00 175.76 175.68 2wri s VAL 14 N 0.63 1.75 -0.01 0.00 1.01 -1.05 -1.55 120.40 121.18 2wri s VAL 14 Ca 0.03 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2wri s VAL 14 Cb -0.13 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2wri s VAL 14 CO 0.02 0.49 -0.14 0.00 0.00 0.00 0.00 175.10 175.47 2wri s ALA 15 N 0.44 1.15 -0.24 5.51 0.00 0.42 -0.91 121.76 128.14 2wri s ALA 15 Ca -0.17 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 2wri s ALA 15 Cb -0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2wri s ALA 15 CO 0.07 0.28 0.02 1.03 0.00 0.00 0.00 175.76 177.16 2wri s ARG 16 N -0.29 3.50 -0.14 0.00 0.52 0.17 -2.09 118.95 120.62 2wri s ARG 16 Ca 0.05 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 2wri s ARG 16 Cb -0.06 -3.19 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 2wri s ARG 16 CO -0.00 -0.21 -0.17 0.08 0.02 0.00 0.00 175.30 175.02 2wri s VAL 17 N 1.55 2.55 -0.30 3.52 1.01 -1.04 -0.07 120.40 127.62 2wri s VAL 17 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2wri s VAL 17 Cb -0.15 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.24 2wri s VAL 17 CO 0.00 0.53 -0.01 -0.36 0.00 0.00 0.00 175.10 175.26 2wri s PHE 18 N 0.68 3.36 -0.31 5.22 2.99 0.93 -3.12 117.98 127.72 2wri s PHE 18 Ca -0.08 -2.22 -0.17 0.00 0.00 0.00 0.00 56.93 54.45 2wri s PHE 18 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 43.02 40.59 2wri s PHE 18 CO 0.02 -0.86 0.48 -0.51 -0.00 0.00 0.00 175.22 174.35 2wri s LEU 19 N 1.15 4.20 0.06 -0.37 1.43 0.95 0.18 118.68 126.27 2wri s LEU 19 Ca -0.03 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 2wri s LEU 19 Cb -0.20 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2wri s LEU 19 CO -0.04 -0.36 -0.23 -0.13 0.23 0.00 0.00 176.35 175.82 2wri s ARG 20 N 2.30 1.53 0.47 1.70 0.52 -1.26 0.86 118.95 125.07 2wri s ARG 20 Ca 0.18 -1.06 -0.22 0.00 -0.52 0.00 0.00 55.73 54.12 2wri s ARG 20 Cb -0.16 -1.71 -0.07 0.00 0.52 0.00 0.00 34.95 33.53 2wri s ARG 20 CO 0.11 0.43 1.15 -2.14 0.02 0.00 0.00 175.30 174.88 2wri s PRO 21 N -1.32 3.72 0.00 3.54 0.02 -1.25 0.24 135.00 139.94 2wri s PRO 21 Ca 0.10 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2wri s PRO 21 Cb -0.09 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.08 2wri s PRO 21 CO 0.02 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 2wri n GLY 22 N 0.37 -0.54 0.14 0.52 0.00 0.16 -4.46 105.19 101.38 2wri n GLY 22 Ca 0.08 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 2wri n GLY 22 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2wri h ASN 23 N 0.00 0.40 0.00 1.61 7.08 -1.83 -3.30 115.58 119.54 2wri h ASN 23 Ca 0.00 -0.40 0.00 0.00 -3.08 0.00 0.00 56.30 52.82 2wri h ASN 23 Cb 0.00 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 36.13 2wri h ASN 23 CO 0.00 0.71 0.00 0.61 -2.08 0.00 0.00 177.43 176.67 2wri n GLY 24 N -0.04 -0.67 3.82 9.14 0.00 -1.20 -3.37 105.19 112.86 2wri n GLY 24 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2wri n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wri s LYS 25 N 0.00 2.86 -0.01 1.61 -2.85 -1.25 -4.77 119.74 115.32 2wri s LYS 25 Ca 0.00 0.97 -0.00 0.00 -1.00 0.00 0.00 55.97 55.93 2wri s LYS 25 Cb 0.00 -1.98 0.02 0.00 -2.06 0.00 0.00 37.83 33.81 2wri s LYS 25 CO 0.00 -1.16 0.02 0.08 0.10 0.00 0.00 175.35 174.40 2wri s VAL 26 N -3.04 -0.03 -0.20 1.79 1.01 -1.26 -3.66 120.40 115.02 2wri s VAL 26 Ca 0.58 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 2wri s VAL 26 Cb -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2wri s VAL 26 CO 0.55 0.05 0.00 -0.89 0.00 0.00 0.00 175.10 174.81 2wri s THR 27 N 0.57 3.98 -0.13 3.92 2.01 -0.70 -2.78 115.64 122.52 2wri s THR 27 Ca -0.05 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 2wri s THR 27 Cb -0.07 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 2wri s THR 27 CO -0.02 0.43 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.54 2wri s VAL 28 N 0.98 3.26 -1.60 3.82 1.01 0.58 0.12 120.40 128.57 2wri s VAL 28 Ca 0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 2wri s VAL 28 Cb -0.14 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 33.93 2wri s VAL 28 CO 0.02 0.52 0.43 0.59 0.00 0.00 0.00 175.10 176.65 2wri n ASN 29 N 3.44 -0.97 -3.72 3.32 4.13 0.19 0.52 115.26 122.17 2wri n ASN 29 Ca -0.18 -1.12 -0.23 0.00 1.68 0.00 0.00 54.58 54.73 2wri n ASN 29 Cb 0.53 -2.34 0.03 0.00 -1.54 0.00 0.00 39.78 36.45 2wri n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wri n GLY 30 N -1.86 -0.42 3.66 7.41 0.00 -1.26 -4.96 105.19 107.76 2wri n GLY 30 Ca -0.15 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2wri n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wri s GLN 31 N -5.99 1.59 0.04 1.61 0.74 0.18 -5.13 119.66 112.71 2wri s GLN 31 Ca 0.09 -1.10 -0.30 0.00 0.05 0.00 0.00 55.36 54.10 2wri s GLN 31 Cb -0.03 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 2wri s GLN 31 CO 0.83 -0.69 1.07 0.34 -0.55 0.00 0.00 175.29 176.29 2wri s ASP 32 N -2.96 7.25 0.00 6.67 -1.08 -1.26 -0.31 116.67 124.98 2wri s ASP 32 Ca 0.16 1.83 0.00 0.00 -0.52 0.00 0.00 52.55 54.03 2wri s ASP 32 Cb -0.02 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2wri s ASP 32 CO 0.06 -0.34 0.91 0.33 0.52 0.00 0.00 175.17 176.66 2wri n PHE 33 N 3.78 0.00 0.11 -5.34 7.35 -1.12 -0.35 117.46 121.89 2wri n PHE 33 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2wri n PHE 33 Cb 0.49 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 39.90 2wri n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2wri n ASN 34 N -2.27 0.72 0.00 -2.13 4.13 -1.26 -0.74 115.26 113.71 2wri n ASN 34 Ca 0.00 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.61 2wri n ASN 34 Cb 0.00 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 2wri n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2wri n GLU 35 N 1.20 2.47 0.09 3.52 2.13 -0.65 -4.50 120.64 124.89 2wri n GLU 35 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 2wri n GLU 35 Cb 0.10 -0.29 -0.02 0.00 0.27 0.00 0.00 31.44 31.50 2wri n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2wri h TYR 36 N 0.00 0.00 -0.91 4.31 3.20 0.15 -3.30 116.97 120.42 2wri h TYR 36 Ca 0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 2wri h TYR 36 Cb 0.00 0.00 -0.43 0.00 1.54 0.00 0.00 36.73 37.84 2wri h TYR 36 CO 0.00 0.18 -0.82 1.19 -1.64 0.00 0.00 178.16 177.07 2wri n PHE 37 N -2.76 2.81 -2.65 -3.82 0.99 -0.28 -5.05 117.46 106.70 2wri n PHE 37 Ca -0.03 -2.42 -0.43 0.00 -0.00 0.00 0.00 57.45 54.57 2wri n PHE 37 Cb 0.64 -0.28 -0.02 0.00 -1.00 0.00 0.00 39.48 38.82 2wri n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2wri s GLN 38 N -3.59 4.38 0.00 -1.08 0.74 -1.24 -3.32 119.66 115.54 2wri s GLN 38 Ca 0.49 1.42 0.00 0.00 0.05 0.00 0.00 55.36 57.32 2wri s GLN 38 Cb 0.40 -3.57 0.00 0.00 1.10 0.00 0.00 33.01 30.95 2wri s GLN 38 CO -0.01 -0.40 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 2wri n GLY 39 N 3.18 3.28 3.56 2.59 0.00 -1.26 -4.99 105.19 111.55 2wri n GLY 39 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2wri n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wri s LEU 40 N 0.00 3.31 0.00 0.99 1.43 -1.21 -4.84 118.68 118.36 2wri s LEU 40 Ca 0.00 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2wri s LEU 40 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 2wri s LEU 40 CO 0.00 -1.88 0.00 0.52 0.23 0.00 0.00 176.35 175.22 2wri n VAL 41 N 6.86 0.00 0.02 -1.59 0.31 -1.26 -2.43 118.33 120.23 2wri n VAL 41 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 2wri n VAL 41 Cb 0.50 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 2wri n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wri n ARG 42 N 0.82 0.00 0.00 5.55 0.63 -1.26 -4.92 116.66 117.48 2wri n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2wri n ARG 42 Cb 0.00 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 32.72 2wri n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wri n ALA 43 N -2.80 0.00 0.24 5.13 0.00 -1.02 0.38 120.51 122.45 2wri n ALA 43 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wri n ALA 43 Cb 0.16 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.71 2wri n ALA 43 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wri h VAL 44 N 0.00 0.00 -0.59 0.00 -1.51 -1.91 -0.07 116.25 112.17 2wri h VAL 44 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 2wri h VAL 44 Cb 0.00 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.22 2wri h VAL 44 CO 0.00 0.00 0.14 0.00 -1.23 0.00 0.00 177.57 176.48 2wri h ALA 45 N 0.23 0.78 -0.27 5.19 0.00 -0.43 -2.91 119.26 121.85 2wri h ALA 45 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.75 2wri h ALA 45 Cb 1.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2wri h ALA 45 CO 0.00 0.50 0.47 0.00 0.00 0.00 0.00 179.25 180.22 2wri h ALA 46 N 1.03 1.85 -0.26 0.00 0.00 -1.16 0.43 119.26 121.16 2wri h ALA 46 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wri h ALA 46 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wri h ALA 46 CO 0.00 -0.61 0.00 1.28 0.00 0.00 0.00 179.25 179.92 2wri n LEU 47 N -3.30 2.64 0.10 0.00 4.32 -1.10 -4.09 117.00 115.56 2wri n LEU 47 Ca 0.04 -1.10 0.08 0.00 -0.02 0.00 0.00 56.01 55.01 2wri n LEU 47 Cb 0.60 -0.17 0.54 0.00 -1.62 0.00 0.00 43.42 42.77 2wri n LEU 47 CO 0.20 0.55 1.13 -0.08 -1.22 0.00 0.00 177.39 177.97 2wri h GLU 48 N 3.51 0.27 -0.82 3.23 4.57 -0.25 -2.17 114.58 122.92 2wri h GLU 48 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2wri h GLU 48 Cb 0.77 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 2wri h GLU 48 CO 0.00 0.18 0.40 -1.00 -1.18 0.00 0.00 179.01 177.41 2wri h PRO 49 N 0.27 1.18 0.36 0.92 0.13 -1.79 -2.71 132.00 130.36 2wri h PRO 49 Ca 0.11 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2wri h PRO 49 Cb 0.11 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.03 2wri h PRO 49 CO -0.02 0.90 -0.17 -0.07 -0.23 0.00 0.00 178.00 178.40 2wri h LEU 50 N 1.17 -0.41 -1.33 1.56 3.38 -1.71 -0.36 115.31 117.61 2wri h LEU 50 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2wri h LEU 50 Cb 0.10 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2wri h LEU 50 CO -0.04 -0.24 0.31 0.03 0.09 0.00 0.00 178.44 178.59 2wri h ARG 51 N -0.54 0.00 -0.68 1.13 3.08 -1.39 0.15 114.38 116.13 2wri h ARG 51 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2wri h ARG 51 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2wri h ARG 51 CO 0.08 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.98 2wri n ALA 52 N -1.70 3.25 -1.55 0.04 0.00 -0.14 -1.83 120.51 118.58 2wri n ALA 52 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2wri n ALA 52 Cb 0.34 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wri n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wri n VAL 53 N 0.53 0.00 0.00 0.00 0.24 0.49 -4.91 118.33 114.68 2wri n VAL 53 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 2wri n VAL 53 Cb 0.80 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2wri n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wri n ASP 54 N 0.00 0.00 -2.07 -1.34 8.00 -0.76 -4.87 116.55 115.52 2wri n ASP 54 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2wri n ASP 54 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 2wri n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wri n ALA 55 N 0.00 3.90 -0.13 2.24 0.00 -1.23 -4.13 120.51 121.16 2wri n ALA 55 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 53.44 52.37 2wri n ALA 55 Cb 0.00 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 2wri n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wri n LEU 56 N 2.43 2.02 -2.37 0.00 0.00 -1.26 -4.50 117.00 113.32 2wri n LEU 56 Ca 0.19 0.32 -0.21 0.00 0.00 0.00 0.00 56.01 56.31 2wri n LEU 56 Cb 0.48 -0.86 -0.11 0.00 0.00 0.00 0.00 43.42 42.92 2wri n LEU 56 CO 0.13 0.54 1.88 0.61 0.00 0.00 0.00 177.39 180.54 2wri n GLY 57 N 1.37 3.63 0.00 -3.96 0.00 -1.26 -3.78 105.19 101.19 2wri n GLY 57 Ca -0.49 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2wri n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wri n HIS 58 N 2.17 0.00 -4.29 1.61 8.25 -1.22 -4.43 115.22 117.32 2wri n HIS 58 Ca 0.50 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.72 2wri n HIS 58 Cb 0.70 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.69 2wri n HIS 58 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2wri s PHE 59 N -0.23 1.78 -2.32 4.41 0.40 -1.24 0.36 117.98 121.14 2wri s PHE 59 Ca 0.00 -0.42 0.22 0.00 -0.60 0.00 0.00 56.93 56.12 2wri s PHE 59 Cb 0.00 -0.97 0.40 0.00 0.51 0.00 0.00 43.02 42.96 2wri s PHE 59 CO 0.00 0.21 1.36 -0.25 0.70 0.00 0.00 175.22 177.24 2wri n ASP 60 N 1.03 3.36 0.00 1.36 10.43 0.65 -3.22 116.55 130.17 2wri n ASP 60 Ca -0.19 -1.96 0.00 0.00 2.57 0.00 0.00 54.79 55.20 2wri n ASP 60 Cb 0.54 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.26 2wri n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wri n ALA 61 N 1.40 -0.43 -3.27 2.24 0.00 -1.24 -3.98 120.51 115.22 2wri n ALA 61 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 2wri n ALA 61 Cb 0.58 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 2wri n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wri s TYR 62 N 0.00 2.94 0.10 0.00 5.04 0.13 -1.72 117.35 123.85 2wri s TYR 62 Ca 0.00 -0.71 0.09 0.00 -2.44 0.00 0.00 57.07 54.01 2wri s TYR 62 Cb 0.00 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.26 2wri s TYR 62 CO 0.00 -0.35 -0.23 0.42 -1.34 0.00 0.00 175.55 174.05 2wri s ILE 63 N 0.98 1.91 -0.25 3.14 1.01 0.31 -0.05 121.20 128.26 2wri s ILE 63 Ca -0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 60.65 59.05 2wri s ILE 63 Cb -0.15 -1.71 0.08 0.00 0.01 0.00 0.00 42.46 40.69 2wri s ILE 63 CO 0.00 0.04 0.07 -0.89 0.00 0.00 0.00 174.94 174.16 2wri s THR 64 N -1.07 0.56 -0.06 2.92 2.01 0.90 -0.64 115.64 120.26 2wri s THR 64 Ca 0.09 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2wri s THR 64 Cb -0.10 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 2wri s THR 64 CO 0.04 -0.43 -0.14 0.54 -0.69 0.00 0.00 174.62 173.94 2wri s VAL 65 N 1.81 3.09 0.01 3.82 0.11 -1.26 0.46 120.40 128.45 2wri s VAL 65 Ca 0.04 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 2wri s VAL 65 Cb -0.17 -2.22 -0.01 0.00 -1.53 0.00 0.00 36.38 32.45 2wri s VAL 65 CO -0.18 0.59 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.50 2wri s ARG 66 N -0.66 0.60 0.36 1.54 3.52 -0.08 -4.89 118.95 119.33 2wri s ARG 66 Ca 0.10 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 2wri s ARG 66 Cb -0.11 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.75 2wri s ARG 66 CO 0.01 0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 2wri n GLY 67 N 2.42 -3.17 2.48 8.12 0.00 -1.26 -2.52 105.19 111.27 2wri n GLY 67 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2wri n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wri n GLY 68 N -3.14 0.31 3.68 -0.02 0.00 -1.22 -4.21 105.19 100.60 2wri n GLY 68 Ca -0.05 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 2wri n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wri s GLY 69 N 0.00 2.44 0.26 -0.02 0.00 -1.26 -5.02 107.32 103.71 2wri s GLY 69 Ca 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 44.72 42.50 2wri s GLY 69 CO 0.00 -2.02 1.87 1.70 0.00 0.00 0.00 173.10 174.65 2wri h LYS 70 N 1.61 1.08 -0.38 2.90 1.63 -2.01 -2.74 116.57 118.66 2wri h LYS 70 Ca -0.43 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.19 2wri h LYS 70 Cb 1.25 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2wri h LYS 70 CO 0.76 0.71 -0.20 1.03 -3.45 0.00 0.00 179.45 178.30 2wri h SER 71 N 1.11 0.84 -0.29 4.20 0.87 -1.99 -2.37 113.55 115.92 2wri h SER 71 Ca 0.41 -0.41 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2wri h SER 71 Cb 0.16 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 2wri h SER 71 CO -0.17 1.07 0.02 1.23 -0.53 0.00 0.00 176.83 178.45 2wri h GLY 72 N 0.62 0.31 0.00 5.77 0.00 -1.81 -2.47 103.07 105.48 2wri h GLY 72 Ca 0.08 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.44 2wri h GLY 72 CO 0.06 -0.04 -0.29 1.46 0.00 0.00 0.00 176.54 177.72 2wri h GLN 73 N 0.12 -0.35 0.00 4.80 4.20 -1.44 0.17 115.11 122.60 2wri h GLN 73 Ca 0.14 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2wri h GLN 73 Cb 0.17 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2wri h GLN 73 CO -0.21 -0.24 0.71 0.82 -0.67 0.00 0.00 178.83 179.24 2wri h ILE 74 N -0.37 0.00 0.00 2.54 2.04 -1.00 2.57 117.51 123.29 2wri h ILE 74 Ca 0.01 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.67 2wri h ILE 74 Cb 0.39 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2wri h ILE 74 CO -0.19 0.00 -2.17 0.47 0.00 0.00 0.00 178.15 176.25 2wri n ASP 75 N -2.29 0.18 0.19 1.72 10.43 0.35 -3.44 116.55 123.69 2wri n ASP 75 Ca -0.00 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.39 2wri n ASP 75 Cb 0.72 1.42 0.39 0.00 1.84 0.00 0.00 41.12 45.49 2wri n ASP 75 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wri h ALA 76 N 1.39 1.33 0.00 2.24 0.00 0.69 -2.75 119.26 122.16 2wri h ALA 76 Ca -0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2wri h ALA 76 Cb 1.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2wri h ALA 76 CO 0.02 0.43 -0.06 0.82 0.00 0.00 0.00 179.25 180.46 2wri h ILE 77 N 0.00 1.64 -1.57 0.00 2.04 -1.27 -2.30 117.51 116.05 2wri h ILE 77 Ca -0.00 -1.97 0.51 0.00 1.00 0.00 0.00 64.86 64.39 2wri h ILE 77 Cb 0.65 2.96 -0.12 0.00 -0.74 0.00 0.00 36.82 39.58 2wri h ILE 77 CO 0.05 0.52 1.06 1.17 0.00 0.00 0.00 178.15 180.94 2wri n LYS 78 N -4.65 -0.02 0.00 2.37 4.81 -1.05 -0.63 118.16 118.99 2wri n LYS 78 Ca -0.10 1.19 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 2wri n LYS 78 Cb 0.43 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.02 2wri n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wri n LEU 79 N -4.43 0.27 -0.14 3.14 -0.00 -1.15 -3.28 117.00 111.41 2wri n LEU 79 Ca 0.41 0.45 0.03 0.00 -0.00 0.00 0.00 56.01 56.90 2wri n LEU 79 Cb 1.71 -0.45 0.06 0.00 -0.00 0.00 0.00 43.42 44.73 2wri n LEU 79 CO 0.27 -0.45 0.26 0.61 -0.00 0.00 0.00 177.39 178.07 2wri n GLY 80 N 2.04 -0.62 0.51 -3.96 0.00 0.20 0.17 105.19 103.53 2wri n GLY 80 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 2wri n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wri h ILE 81 N 0.00 0.00 0.00 -0.61 1.08 -1.15 0.12 117.51 116.95 2wri h ILE 81 Ca 0.19 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.64 2wri h ILE 81 Cb 0.30 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2wri h ILE 81 CO -0.38 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.05 2wri h ALA 82 N -1.39 1.83 0.00 1.87 0.00 0.17 0.77 119.26 122.51 2wri h ALA 82 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wri h ALA 82 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wri h ALA 82 CO 0.22 0.04 0.00 -0.09 0.00 0.00 0.00 179.25 179.41 2wri h ARG 83 N 0.00 0.00 0.00 0.00 2.43 0.21 -3.23 114.38 113.79 2wri h ARG 83 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wri h ARG 83 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2wri h ARG 83 CO 0.00 0.00 -0.51 0.00 -1.51 0.00 0.00 179.97 177.96 2wri n ALA 84 N -1.91 0.45 0.00 2.80 0.00 0.39 -4.16 120.51 118.08 2wri n ALA 84 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2wri n ALA 84 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2wri n ALA 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wri n LEU 85 N -4.00 0.00 -0.05 0.00 -0.00 -0.19 0.21 117.00 112.97 2wri n LEU 85 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2wri n LEU 85 Cb 0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.53 2wri n LEU 85 CO 0.11 0.00 -0.94 0.55 -0.00 0.00 0.00 177.39 177.11 2wri n VAL 86 N -0.51 0.67 -0.02 1.47 3.14 -1.22 -4.40 118.33 117.46 2wri n VAL 86 Ca 0.00 -0.64 -0.12 0.00 -2.96 0.00 0.00 64.34 60.62 2wri n VAL 86 Cb 0.00 -0.24 -0.10 0.00 -1.06 0.00 0.00 33.84 32.44 2wri n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2wri h GLN 87 N 0.00 -0.05 -2.49 1.45 4.15 0.24 -3.21 115.11 115.20 2wri h GLN 87 Ca -0.27 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.53 2wri h GLN 87 Cb 1.57 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 29.17 2wri h GLN 87 CO 0.01 0.60 1.95 0.66 -1.93 0.00 0.00 178.83 180.12 2wri n TYR 88 N -4.78 2.09 0.00 3.99 4.02 -1.14 -4.45 117.16 116.90 2wri n TYR 88 Ca -0.09 -2.55 0.00 0.00 -0.01 0.00 0.00 57.90 55.26 2wri n TYR 88 Cb 0.33 -1.83 0.00 0.00 -0.02 0.00 0.00 39.34 37.82 2wri n TYR 88 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wri n ASN 89 N 1.93 0.00 -0.07 7.72 2.85 -1.24 -4.98 115.26 121.47 2wri n ASN 89 Ca 0.61 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.93 2wri n ASN 89 Cb 0.38 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.34 2wri n ASN 89 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wri h PRO 90 N 0.00 0.67 0.00 1.20 0.13 -1.77 -3.06 132.00 129.17 2wri h PRO 90 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2wri h PRO 90 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2wri h PRO 90 CO 0.00 1.03 0.62 -0.44 -0.23 0.00 0.00 178.00 178.99 2wri h ASP 91 N 0.37 0.00 0.00 1.44 3.32 -1.95 -3.15 116.42 116.45 2wri h ASP 91 Ca 0.01 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.46 2wri h ASP 91 Cb 0.99 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.56 2wri h ASP 91 CO 0.09 0.00 2.78 -1.22 -1.72 0.00 0.00 179.24 179.17 2wri n TYR 92 N -2.71 2.25 0.00 4.55 4.02 -1.15 -2.24 117.16 121.87 2wri n TYR 92 Ca -0.01 -2.30 0.00 0.00 -0.01 0.00 0.00 57.90 55.58 2wri n TYR 92 Cb 0.65 -2.01 0.00 0.00 -0.02 0.00 0.00 39.34 37.96 2wri n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wri n ARG 93 N 5.72 5.39 0.00 -0.72 3.00 -1.19 -4.38 116.66 124.48 2wri n ARG 93 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 2wri n ARG 93 Cb 0.32 -0.51 0.00 0.00 0.00 0.00 0.00 32.46 32.27 2wri n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wri n ALA 94 N -0.07 1.82 -0.29 5.13 0.00 -0.95 -1.64 120.51 124.51 2wri n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wri n ALA 94 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2wri n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wri n LYS 95 N 0.33 0.00 0.09 0.00 -0.00 -1.26 -4.86 118.16 112.46 2wri n LYS 95 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2wri n LYS 95 Cb 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.06 2wri n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wri h LEU 96 N 0.00 0.26 0.05 -5.58 5.85 -1.51 -3.31 115.31 111.07 2wri h LEU 96 Ca 0.00 -0.27 -0.34 0.00 0.84 0.00 0.00 57.88 58.11 2wri h LEU 96 Cb 0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2wri h LEU 96 CO 0.00 1.20 -1.90 1.17 -0.34 0.00 0.00 178.44 178.57 2wri n LYS 97 N -3.48 0.65 -0.32 1.25 3.00 -0.88 -2.80 118.16 115.57 2wri n LYS 97 Ca -0.05 0.36 0.22 0.00 -0.00 0.00 0.00 58.31 58.84 2wri n LYS 97 Cb 0.97 -1.66 0.44 0.00 0.00 0.00 0.00 35.03 34.78 2wri n LYS 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2wri h PRO 98 N -0.48 0.16 -6.24 1.64 0.11 -1.76 -3.33 132.00 122.11 2wri h PRO 98 Ca -0.46 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.04 2wri h PRO 98 Cb 1.70 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.69 2wri h PRO 98 CO -0.12 0.11 -0.60 -0.51 -0.21 0.00 0.00 178.00 176.67 2wri s LEU 99 N -10.59 3.66 0.00 2.35 2.01 -1.24 -5.01 118.68 109.86 2wri s LEU 99 Ca -0.11 -0.17 0.00 0.00 0.01 0.00 0.00 54.13 53.86 2wri s LEU 99 Cb 0.30 -2.31 0.00 0.00 0.01 0.00 0.00 46.19 44.19 2wri s LEU 99 CO 0.78 0.10 0.71 0.61 1.01 0.00 0.00 176.35 179.57 2wri n GLY 100 N -0.07 1.51 0.07 -3.19 0.00 -1.25 -4.33 105.19 97.93 2wri n GLY 100 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 2wri n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wri n PHE 101 N 0.49 0.30 -0.11 1.61 3.01 -1.12 -1.99 117.46 119.65 2wri n PHE 101 Ca 0.00 0.16 -0.24 0.00 1.01 0.00 0.00 57.45 58.37 2wri n PHE 101 Cb 0.36 -0.71 -0.11 0.00 -0.01 0.00 0.00 39.48 39.01 2wri n PHE 101 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wri n LEU 102 N -1.79 2.01 -4.54 4.37 4.77 -1.16 -4.68 117.00 115.99 2wri n LEU 102 Ca -0.01 0.35 -0.51 0.00 -0.03 0.00 0.00 56.01 55.81 2wri n LEU 102 Cb 0.07 -0.93 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 2wri n LEU 102 CO 0.04 0.45 0.61 0.41 -1.33 0.00 0.00 177.39 177.57 2wri n THR 103 N -4.24 0.73 0.00 -5.08 -1.04 -0.84 -5.01 114.28 98.80 2wri n THR 103 Ca -0.40 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 2wri n THR 103 Cb 0.79 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 2wri n THR 103 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2wri n ARG 104 N 1.68 0.00 0.00 -2.82 0.63 -1.26 -5.04 116.66 109.85 2wri n ARG 104 Ca 0.17 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 2wri n ARG 104 Cb 0.20 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.78 2wri n ARG 104 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2wri n ASP 105 N -1.78 0.00 -0.55 6.15 2.03 -1.26 -4.84 116.55 116.29 2wri n ASP 105 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2wri n ASP 105 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2wri n ASP 105 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wri n ALA 106 N 0.00 1.85 -2.03 -1.67 0.00 -1.26 -4.70 120.51 112.69 2wri n ALA 106 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wri n ALA 106 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2wri n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wri s ARG 107 N -0.85 4.22 0.23 0.00 0.52 -1.26 -4.97 118.95 116.84 2wri s ARG 107 Ca 0.00 2.19 -0.05 0.00 -0.52 0.00 0.00 55.73 57.35 2wri s ARG 107 Cb 0.00 -3.70 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 2wri s ARG 107 CO 0.00 -0.72 0.27 0.14 0.02 0.00 0.00 175.30 175.01 2wri s VAL 108 N 2.96 0.00 0.24 3.52 -7.23 -1.26 -4.61 120.40 114.02 2wri s VAL 108 Ca 0.71 -1.78 -0.31 0.00 -1.81 0.00 0.00 61.98 58.79 2wri s VAL 108 Cb -0.36 -2.41 -0.12 0.00 0.56 0.00 0.00 36.38 34.05 2wri s VAL 108 CO 0.30 0.00 1.60 0.52 -0.31 0.00 0.00 175.10 177.21 2wri n VAL 109 N -0.34 0.55 -3.02 1.32 0.31 -1.26 -4.95 118.33 110.94 2wri n VAL 109 Ca 0.01 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 2wri n VAL 109 Cb 0.64 -1.83 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 2wri n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wri s GLU 110 N 0.23 4.46 0.39 5.55 2.12 -1.26 -5.00 118.70 125.20 2wri s GLU 110 Ca 0.70 1.00 -0.25 0.00 0.36 0.00 0.00 54.97 56.78 2wri s GLU 110 Cb -0.55 -3.37 -0.11 0.00 0.26 0.00 0.00 34.13 30.36 2wri s GLU 110 CO 0.42 0.27 0.98 -2.13 -0.54 0.00 0.00 175.26 174.26 2wri n ARG 111 N 2.93 1.32 -2.72 4.30 0.63 -1.26 -4.84 116.66 117.00 2wri n ARG 111 Ca -0.03 0.47 -0.43 0.00 -0.92 0.00 0.00 57.85 56.94 2wri n ARG 111 Cb 0.50 -1.97 -0.03 0.00 0.45 0.00 0.00 32.46 31.42 2wri n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2wri s LYS 112 N -1.88 4.07 0.14 -0.14 2.36 -1.26 -4.42 119.74 118.61 2wri s LYS 112 Ca 0.62 0.99 -0.15 0.00 -2.55 0.00 0.00 55.97 54.88 2wri s LYS 112 Cb -0.59 -3.72 -0.07 0.00 -1.05 0.00 0.00 37.83 32.40 2wri s LYS 112 CO 0.58 -0.80 0.56 0.15 1.55 0.00 0.00 175.35 177.39 2wri s LYS 113 N 3.39 4.01 0.42 4.03 3.01 -1.26 -4.85 119.74 128.49 2wri s LYS 113 Ca 0.42 0.53 -0.24 0.00 -1.01 0.00 0.00 55.97 55.67 2wri s LYS 113 Cb -0.13 -2.95 -0.08 0.00 -1.01 0.00 0.00 37.83 33.65 2wri s LYS 113 CO 0.13 0.49 1.15 1.52 0.51 0.00 0.00 175.35 179.15 2wri s TYR 114 N -1.44 3.03 0.00 3.18 -0.00 -1.26 -2.97 117.35 117.90 2wri s TYR 114 Ca 0.37 1.56 0.00 0.00 -0.00 0.00 0.00 57.07 59.00 2wri s TYR 114 Cb -0.15 -3.34 0.00 0.00 -0.00 0.00 0.00 41.96 38.46 2wri s TYR 114 CO 0.19 -1.27 0.00 0.41 -0.00 0.00 0.00 175.55 174.88 2wri n GLY 115 N 0.52 3.08 3.95 5.49 0.00 -1.26 -5.02 105.19 111.94 2wri n GLY 115 Ca 0.05 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 2wri n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wri s LYS 116 N 0.00 2.78 0.07 1.61 1.02 -1.16 -4.48 119.74 119.58 2wri s LYS 116 Ca 0.00 -1.29 0.11 0.00 0.02 0.00 0.00 55.97 54.80 2wri s LYS 116 Cb 0.00 -2.62 -0.19 0.00 -0.52 0.00 0.00 37.83 34.50 2wri s LYS 116 CO 0.00 -0.14 1.02 0.45 -0.92 0.00 0.00 175.35 175.75 2wri h HIS 117 N 0.87 0.00 -0.62 3.18 3.86 -1.16 -3.43 115.15 117.86 2wri h HIS 117 Ca -0.42 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.48 2wri h HIS 117 Cb 1.27 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.47 2wri h HIS 117 CO 0.45 0.91 -0.77 1.63 0.86 0.00 0.00 177.93 181.02 2wri n LYS 118 N -3.18 1.12 0.00 2.45 5.02 -1.22 -4.96 118.16 117.38 2wri n LYS 118 Ca -0.07 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.69 2wri n LYS 118 Cb 0.95 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 2wri n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wri n ALA 119 N -0.14 0.00 0.01 7.82 0.00 -1.26 -4.03 120.51 122.92 2wri n ALA 119 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2wri n ALA 119 Cb 0.79 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2wri n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wri n ARG 120 N -1.73 0.00 -1.57 0.00 5.12 -1.26 -4.78 116.66 112.43 2wri n ARG 120 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 2wri n ARG 120 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 2wri n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2wri n ARG 121 N -2.58 1.56 -3.03 5.56 0.00 -1.26 -4.90 116.66 112.01 2wri n ARG 121 Ca 0.00 0.32 -0.33 0.00 -0.00 0.00 0.00 57.85 57.84 2wri n ARG 121 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 32.46 29.13 2wri n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wri s ALA 122 N 9.75 3.24 1.11 5.13 0.00 -1.26 -0.68 121.76 139.06 2wri s ALA 122 Ca 1.01 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 2wri s ALA 122 Cb -0.31 -2.90 0.15 0.00 0.00 0.00 0.00 23.12 20.06 2wri s ALA 122 CO 0.33 0.27 0.37 -0.35 0.00 0.00 0.00 175.76 176.37 2wri n PRO 123 N -0.32 -1.65 -2.87 0.00 -0.04 -1.26 -4.84 135.00 124.02 2wri n PRO 123 Ca 0.04 -0.46 -0.40 0.00 -0.04 0.00 0.00 63.50 62.64 2wri n PRO 123 Cb 0.53 -1.87 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 2wri n PRO 123 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2wri s GLN 124 N -3.77 4.59 0.21 0.54 0.74 -1.26 -5.02 119.66 115.69 2wri s GLN 124 Ca 0.60 1.24 -0.30 0.00 0.05 0.00 0.00 55.36 56.95 2wri s GLN 124 Cb -0.17 -3.36 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 2wri s GLN 124 CO 0.66 0.26 1.19 -0.47 -0.55 0.00 0.00 175.29 176.38 2wri s TYR 125 N -0.08 3.42 -0.01 1.67 6.04 -1.26 -5.00 117.35 122.14 2wri s TYR 125 Ca 0.42 1.47 -0.05 0.00 0.04 0.00 0.00 57.07 58.95 2wri s TYR 125 Cb -0.22 -3.43 -0.02 0.00 -1.04 0.00 0.00 41.96 37.26 2wri s TYR 125 CO 0.26 -1.16 -0.10 0.43 -1.54 0.00 0.00 175.55 173.44 2wri n SER 126 N 2.14 1.07 0.00 4.32 7.64 -1.26 -5.01 113.62 122.51 2wri n SER 126 Ca 0.03 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2wri n SER 126 Cb 0.44 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2wri n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wri n LYS 127 N -3.52 0.00 0.00 1.43 4.81 -1.26 -5.37 118.16 114.25 2wri n LYS 127 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2wri n LYS 127 Cb 0.15 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.20 2wri n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46