#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s GLN 3 N 0.00 2.03 -0.13 5.31 -2.07 -1.26 -4.79 119.66 118.75 3i8h s GLN 3 Ca 0.00 -1.62 -0.06 0.00 -1.82 0.00 0.00 55.36 51.86 3i8h s GLN 3 Cb 0.00 0.52 0.06 0.00 -1.09 0.00 0.00 33.01 32.49 3i8h s GLN 3 CO 0.00 -0.89 0.31 0.71 -1.32 0.00 0.00 175.29 174.10 3i8h s TYR 4 N -2.79 -0.45 0.19 9.60 2.02 -0.85 -4.99 117.35 120.07 3i8h s TYR 4 Ca 0.24 1.01 0.06 0.00 -0.37 0.00 0.00 57.07 58.01 3i8h s TYR 4 Cb -0.02 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.61 3i8h s TYR 4 CO 0.17 -0.30 0.11 -0.47 -1.57 0.00 0.00 175.55 173.49 3i8h s TYR 5 N 1.58 3.06 -0.26 2.71 6.04 -1.24 -0.08 117.35 129.16 3i8h s TYR 5 Ca -0.07 -0.07 -0.02 0.00 0.04 0.00 0.00 57.07 56.95 3i8h s TYR 5 Cb -0.10 -1.45 0.15 0.00 -1.04 0.00 0.00 41.96 39.52 3i8h s TYR 5 CO -0.10 0.52 0.45 0.20 -1.54 0.00 0.00 175.55 175.08 3i8h s GLY 6 N -3.22 -0.60 -0.41 8.97 0.00 0.11 -4.30 107.32 107.86 3i8h s GLY 6 Ca 0.31 1.17 -0.29 0.00 0.00 0.00 0.00 44.72 45.91 3i8h s GLY 6 CO 0.23 2.90 1.21 -1.59 0.00 0.00 0.00 173.10 175.84 3i8h s THR 7 N 2.64 4.18 -0.11 0.90 2.01 -1.26 -2.36 115.64 121.63 3i8h s THR 7 Ca 0.15 1.25 0.02 0.00 0.31 0.00 0.00 61.69 63.42 3i8h s THR 7 Cb -0.15 -4.43 0.01 0.00 0.01 0.00 0.00 72.50 67.94 3i8h s THR 7 CO -0.18 -0.80 -0.18 -0.83 -0.69 0.00 0.00 174.62 171.94 3i8h s GLY 8 N 2.70 1.16 -0.02 4.40 0.00 -1.16 -4.58 107.32 109.83 3i8h s GLY 8 Ca 0.52 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 3i8h s GLY 8 CO 0.28 0.07 0.10 1.09 0.00 0.00 0.00 173.10 174.64 3i8h s ARG 9 N 0.82 0.27 -0.18 2.90 3.03 -1.24 -1.36 118.95 123.19 3i8h s ARG 9 Ca -0.09 -0.14 -0.04 0.00 2.03 0.00 0.00 55.73 57.49 3i8h s ARG 9 Cb -0.16 0.11 0.07 0.00 -1.03 0.00 0.00 34.95 33.95 3i8h s ARG 9 CO 0.00 -0.05 0.16 0.50 -1.13 0.00 0.00 175.30 174.77 3i8h s ARG 10 N -0.63 0.12 -0.27 3.89 3.52 0.71 -4.74 118.95 121.54 3i8h s ARG 10 Ca -0.07 0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.52 3i8h s ARG 10 Cb -0.04 -1.42 0.02 0.00 -1.56 0.00 0.00 34.95 31.94 3i8h s ARG 10 CO 0.00 -0.64 0.25 1.17 -0.81 0.00 0.00 175.30 175.28 3i8h n LYS 11 N 5.30 -2.07 0.00 5.12 0.00 -1.26 -3.03 118.16 122.22 3i8h n LYS 11 Ca -0.06 1.84 0.00 0.00 0.00 0.00 0.00 58.31 60.08 3i8h n LYS 11 Cb 0.49 -3.59 0.00 0.00 0.00 0.00 0.00 35.03 31.93 3i8h n LYS 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i8h n GLU 12 N 0.50 0.00 -3.87 1.64 -0.58 -1.26 -4.64 120.64 112.42 3i8h n GLU 12 Ca 0.01 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 3i8h n GLU 12 Cb 0.37 -2.78 -0.14 0.00 -0.57 0.00 0.00 31.44 28.31 3i8h n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8h s ALA 13 N -1.05 2.88 -0.02 0.62 0.00 -1.17 -0.46 121.76 122.56 3i8h s ALA 13 Ca 0.00 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.82 3i8h s ALA 13 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 3i8h s ALA 13 CO 0.00 -0.50 -0.20 0.08 0.00 0.00 0.00 175.76 175.14 3i8h s VAL 14 N 1.49 2.57 0.09 0.00 1.01 -0.88 -0.21 120.40 124.48 3i8h s VAL 14 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3i8h s VAL 14 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3i8h s VAL 14 CO -0.02 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.59 3i8h s ALA 15 N -0.71 0.80 -0.20 5.51 0.00 -0.47 -1.45 121.76 125.24 3i8h s ALA 15 Ca 0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 3i8h s ALA 15 Cb -0.10 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3i8h s ALA 15 CO 0.01 -0.32 -0.04 1.03 0.00 0.00 0.00 175.76 176.43 3i8h s ARG 16 N -3.90 3.43 -0.37 0.00 0.52 0.68 -2.96 118.95 116.35 3i8h s ARG 16 Ca 0.12 -0.61 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 3i8h s ARG 16 Cb 0.07 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.57 3i8h s ARG 16 CO -0.06 -0.10 0.25 0.08 0.02 0.00 0.00 175.30 175.49 3i8h s VAL 17 N 1.22 5.05 -0.44 3.52 1.01 -1.00 -2.60 120.40 127.17 3i8h s VAL 17 Ca 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3i8h s VAL 17 Cb -0.14 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.63 3i8h s VAL 17 CO -0.01 -0.17 0.19 -0.36 0.00 0.00 0.00 175.10 174.75 3i8h s PHE 18 N 1.66 3.52 -0.14 5.22 2.99 -1.06 -0.71 117.98 129.45 3i8h s PHE 18 Ca 0.05 -2.91 -0.21 0.00 0.00 0.00 0.00 56.93 53.85 3i8h s PHE 18 Cb -0.18 -2.99 -0.03 0.00 0.00 0.00 0.00 43.02 39.82 3i8h s PHE 18 CO 0.09 -0.88 0.64 -0.51 -0.00 0.00 0.00 175.22 174.56 3i8h s LEU 19 N 0.47 4.22 -0.19 -0.37 1.43 0.88 -1.83 118.68 123.29 3i8h s LEU 19 Ca 0.13 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.14 3i8h s LEU 19 Cb -0.22 -2.94 0.09 0.00 0.03 0.00 0.00 46.19 43.16 3i8h s LEU 19 CO -0.04 -0.19 0.33 -0.13 0.23 0.00 0.00 176.35 176.55 3i8h s ARG 20 N 1.36 0.25 0.33 1.70 0.52 -1.04 -2.01 118.95 120.07 3i8h s ARG 20 Ca 0.32 0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 56.07 3i8h s ARG 20 Cb -0.16 -0.21 -0.12 0.00 0.52 0.00 0.00 34.95 34.98 3i8h s ARG 20 CO 0.13 -0.42 0.01 -2.30 0.02 0.00 0.00 175.30 172.73 3i8h n PRO 21 N 5.36 0.00 0.00 3.54 -0.02 -1.26 0.10 135.00 142.73 3i8h n PRO 21 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3i8h n PRO 21 Cb 0.50 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 3i8h n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i8h n GLY 22 N 1.80 3.82 0.51 -1.23 0.00 1.16 -4.36 105.19 106.90 3i8h n GLY 22 Ca 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3i8h n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i8h n ASN 23 N 0.00 0.00 0.00 1.61 5.03 -1.24 -3.29 115.26 117.37 3i8h n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i8h n ASN 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i8h n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i8h n GLY 24 N 0.00 2.05 2.71 7.41 0.00 -1.09 -4.31 105.19 111.97 3i8h n GLY 24 Ca 0.00 -0.21 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 3i8h n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i8h n LYS 25 N 0.00 0.00 -5.22 1.61 2.85 -1.26 -4.49 118.16 111.64 3i8h n LYS 25 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 3i8h n LYS 25 Cb 0.00 -1.15 -0.16 0.00 -0.65 0.00 0.00 35.03 33.07 3i8h n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3i8h s VAL 26 N 0.43 2.15 -0.27 0.58 1.01 -1.26 -3.38 120.40 119.65 3i8h s VAL 26 Ca 0.72 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3i8h s VAL 26 Cb -1.00 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3i8h s VAL 26 CO 0.47 0.57 0.09 -0.89 0.00 0.00 0.00 175.10 175.35 3i8h s THR 27 N -0.13 4.33 -0.49 3.92 2.01 -0.17 -3.12 115.64 121.99 3i8h s THR 27 Ca -0.04 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 3i8h s THR 27 Cb -0.14 -3.11 0.13 0.00 0.01 0.00 0.00 72.50 69.39 3i8h s THR 27 CO 0.04 0.22 0.32 -0.69 -0.69 0.00 0.00 174.62 173.81 3i8h s VAL 28 N 1.59 3.71 -1.52 3.82 1.01 -1.08 -0.27 120.40 127.65 3i8h s VAL 28 Ca 0.05 -2.22 -0.06 0.00 0.00 0.00 0.00 61.98 59.76 3i8h s VAL 28 Cb -0.16 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3i8h s VAL 28 CO 0.04 -0.77 0.70 0.59 0.00 0.00 0.00 175.10 175.66 3i8h n ASN 29 N 4.39 -6.04 0.00 3.32 4.13 -0.16 -3.16 115.26 117.74 3i8h n ASN 29 Ca -0.01 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.91 3i8h n ASN 29 Cb 0.41 -4.86 0.00 0.00 -1.54 0.00 0.00 39.78 33.78 3i8h n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i8h n GLY 30 N -1.58 2.77 3.83 7.41 0.00 -1.26 -5.03 105.19 111.32 3i8h n GLY 30 Ca -0.09 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3i8h n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8h s GLN 31 N 0.00 3.96 0.25 1.61 -0.21 -1.19 -4.99 119.66 119.09 3i8h s GLN 31 Ca 0.00 1.07 -0.31 0.00 0.02 0.00 0.00 55.36 56.14 3i8h s GLN 31 Cb 0.00 -2.14 -0.11 0.00 1.00 0.00 0.00 33.01 31.76 3i8h s GLN 31 CO 0.00 -0.27 1.62 -0.51 -2.12 0.00 0.00 175.29 174.02 3i8h s ASP 32 N -2.67 6.42 0.28 5.90 1.01 -1.26 -2.65 116.67 123.69 3i8h s ASP 32 Ca 0.61 2.87 -0.05 0.00 0.71 0.00 0.00 52.55 56.69 3i8h s ASP 32 Cb -0.11 -2.62 0.53 0.00 1.01 0.00 0.00 42.92 41.74 3i8h s ASP 32 CO 0.25 -0.91 1.51 0.33 0.21 0.00 0.00 175.17 176.56 3i8h n PHE 33 N 2.99 0.43 1.86 4.23 7.35 -1.18 0.21 117.46 133.34 3i8h n PHE 33 Ca 0.11 1.18 0.07 0.00 -0.76 0.00 0.00 57.45 58.05 3i8h n PHE 33 Cb 0.37 -1.11 0.44 0.00 0.35 0.00 0.00 39.48 39.53 3i8h n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i8h n ASN 34 N -5.54 0.00 -0.09 -2.13 4.13 -1.26 -2.29 115.26 108.08 3i8h n ASN 34 Ca 0.18 -1.40 -0.18 0.00 1.68 0.00 0.00 54.58 54.86 3i8h n ASN 34 Cb 0.56 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.74 3i8h n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3i8h n GLU 35 N -0.75 0.38 0.31 3.52 2.13 0.55 -3.85 120.64 122.93 3i8h n GLU 35 Ca 0.11 0.16 0.19 0.00 0.66 0.00 0.00 57.16 58.28 3i8h n GLU 35 Cb 0.05 -1.14 1.00 0.00 0.27 0.00 0.00 31.44 31.62 3i8h n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3i8h h TYR 36 N -0.57 0.00 -1.29 4.31 3.20 -1.14 -2.65 116.97 118.82 3i8h h TYR 36 Ca -0.44 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 60.89 3i8h h TYR 36 Cb 1.41 0.00 -0.42 0.00 1.54 0.00 0.00 36.73 39.26 3i8h h TYR 36 CO -0.05 0.02 -0.82 1.19 -1.64 0.00 0.00 178.16 176.86 3i8h n PHE 37 N -3.27 2.96 -2.76 -3.82 0.99 -0.97 -5.08 117.46 105.50 3i8h n PHE 37 Ca -0.02 -2.89 -0.41 0.00 -0.00 0.00 0.00 57.45 54.13 3i8h n PHE 37 Cb 0.14 -0.17 -0.05 0.00 -1.00 0.00 0.00 39.48 38.41 3i8h n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3i8h s GLN 38 N -3.51 4.69 0.00 -1.08 0.74 -1.00 -3.72 119.66 115.78 3i8h s GLN 38 Ca 0.45 1.41 0.00 0.00 0.05 0.00 0.00 55.36 57.27 3i8h s GLN 38 Cb 0.41 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 31.15 3i8h s GLN 38 CO -0.12 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 3i8h n GLY 39 N 2.18 2.89 3.55 2.59 0.00 -1.26 -4.96 105.19 110.18 3i8h n GLY 39 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3i8h n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8h s LEU 40 N 0.00 3.58 0.00 0.99 1.43 -1.24 -4.85 118.68 118.59 3i8h s LEU 40 Ca 0.00 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 3i8h s LEU 40 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3i8h s LEU 40 CO 0.00 -1.50 0.01 0.52 0.23 0.00 0.00 176.35 175.61 3i8h n VAL 41 N 6.78 0.00 0.00 -1.59 0.31 -1.26 -1.34 118.33 121.23 3i8h n VAL 41 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 3i8h n VAL 41 Cb 0.51 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3i8h n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i8h n ARG 42 N 0.57 3.21 -0.14 5.55 0.63 -1.26 -4.83 116.66 120.39 3i8h n ARG 42 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 3i8h n ARG 42 Cb 0.01 -0.54 0.05 0.00 0.45 0.00 0.00 32.46 32.43 3i8h n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i8h h ALA 43 N 0.00 0.45 0.00 5.13 0.00 -1.55 -1.09 119.26 122.20 3i8h h ALA 43 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i8h h ALA 43 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i8h h ALA 43 CO 0.00 -0.38 0.02 1.33 0.00 0.00 0.00 179.25 180.22 3i8h n VAL 44 N -5.20 0.12 -0.22 0.00 0.24 -1.26 -0.79 118.33 111.22 3i8h n VAL 44 Ca 0.04 0.05 0.11 0.00 -2.04 0.00 0.00 64.34 62.50 3i8h n VAL 44 Cb 0.24 -1.05 0.31 0.00 -1.47 0.00 0.00 33.84 31.88 3i8h n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8h n ALA 45 N -0.88 2.39 0.11 2.33 0.00 -0.41 -4.10 120.51 119.96 3i8h n ALA 45 Ca 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 53.44 52.29 3i8h n ALA 45 Cb 0.02 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.54 3i8h n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h h ALA 46 N 4.29 0.65 -0.57 0.00 0.00 -1.16 -3.31 119.26 119.16 3i8h h ALA 46 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i8h h ALA 46 Cb 0.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i8h h ALA 46 CO 0.00 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.84 3i8h n LEU 47 N -2.88 4.48 0.27 0.00 7.99 -1.26 -3.80 117.00 121.80 3i8h n LEU 47 Ca -0.01 -2.26 0.11 0.00 -0.01 0.00 0.00 56.01 53.83 3i8h n LEU 47 Cb 0.64 -0.57 0.74 0.00 -0.11 0.00 0.00 43.42 44.12 3i8h n LEU 47 CO 0.40 0.71 1.08 -0.33 -1.51 0.00 0.00 177.39 177.74 3i8h h GLU 48 N 3.67 0.00 0.00 3.23 4.39 -1.80 -0.98 114.58 123.09 3i8h h GLU 48 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i8h h GLU 48 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3i8h h GLU 48 CO 0.25 0.01 0.00 -0.35 -1.16 0.00 0.00 179.01 177.77 3i8h n PRO 49 N -4.23 0.27 -0.08 2.33 -0.04 -1.26 -2.34 135.00 129.65 3i8h n PRO 49 Ca -0.03 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 3i8h n PRO 49 Cb 0.10 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 3i8h n PRO 49 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i8h h LEU 50 N 0.00 0.00 -2.04 1.53 3.38 -1.44 -3.33 115.31 113.41 3i8h h LEU 50 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3i8h h LEU 50 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i8h h LEU 50 CO 0.00 0.96 0.00 0.03 0.09 0.00 0.00 178.44 179.52 3i8h h ARG 51 N -1.00 0.00 0.00 1.13 3.08 -1.61 0.58 114.38 116.55 3i8h h ARG 51 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3i8h h ARG 51 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3i8h h ARG 51 CO -0.06 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 3i8h n ALA 52 N -2.00 2.18 -0.08 0.04 0.00 -0.99 -3.44 120.51 116.22 3i8h n ALA 52 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i8h n ALA 52 Cb 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3i8h n ALA 52 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3i8h n VAL 53 N -2.25 0.00 0.00 0.00 3.14 0.19 -4.92 118.33 114.49 3i8h n VAL 53 Ca 0.05 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 3i8h n VAL 53 Cb 0.40 1.08 0.00 0.00 -1.06 0.00 0.00 33.84 34.26 3i8h n VAL 53 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3i8h n ASP 54 N -0.45 0.00 -4.47 6.55 8.00 0.18 -4.98 116.55 121.38 3i8h n ASP 54 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3i8h n ASP 54 Cb 0.02 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 3i8h n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8h n ALA 55 N -0.45 0.54 -1.17 2.24 0.00 -0.88 -4.76 120.51 116.03 3i8h n ALA 55 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.08 3i8h n ALA 55 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 16.79 3i8h n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8h n LEU 56 N 13.43 0.00 -0.10 0.00 0.00 -1.26 -4.33 117.00 124.74 3i8h n LEU 56 Ca 0.44 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.60 3i8h n LEU 56 Cb 0.37 0.00 0.66 0.00 0.00 0.00 0.00 43.42 44.45 3i8h n LEU 56 CO 0.69 0.00 0.91 0.61 0.00 0.00 0.00 177.39 179.61 3i8h n GLY 57 N 4.80 -0.97 0.39 -3.96 0.00 -1.26 -3.91 105.19 100.28 3i8h n GLY 57 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 3i8h n GLY 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i8h h HIS 58 N 0.49 -1.18 -2.90 1.61 3.86 -1.78 -2.88 115.15 112.37 3i8h h HIS 58 Ca 0.00 0.11 -0.63 0.00 -1.16 0.00 0.00 60.37 58.68 3i8h h HIS 58 Cb 0.32 0.65 -0.07 0.00 1.06 0.00 0.00 27.41 29.38 3i8h h HIS 58 CO 0.00 -0.40 -0.35 -0.06 0.86 0.00 0.00 177.93 177.98 3i8h s PHE 59 N -5.90 3.63 0.36 2.45 0.40 -1.25 0.37 117.98 118.03 3i8h s PHE 59 Ca -0.14 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 56.93 3i8h s PHE 59 Cb 0.19 -2.14 0.07 0.00 0.51 0.00 0.00 43.02 41.65 3i8h s PHE 59 CO 0.70 0.62 0.49 -0.25 0.70 0.00 0.00 175.22 177.49 3i8h n ASP 60 N 2.18 0.85 -3.46 1.36 8.00 0.29 -4.09 116.55 121.69 3i8h n ASP 60 Ca -0.16 -1.68 0.01 0.00 0.71 0.00 0.00 54.79 53.67 3i8h n ASP 60 Cb 0.53 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 3i8h n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8h s ALA 61 N -2.77 -2.57 -0.36 2.24 0.00 -1.22 -2.48 121.76 114.60 3i8h s ALA 61 Ca 0.34 2.11 -0.15 0.00 0.00 0.00 0.00 51.96 54.26 3i8h s ALA 61 Cb -0.02 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 3i8h s ALA 61 CO 0.22 -0.93 0.35 -0.47 0.00 0.00 0.00 175.76 174.94 3i8h s TYR 62 N 2.50 3.21 -0.08 0.00 5.04 -0.76 -1.00 117.35 126.26 3i8h s TYR 62 Ca -0.03 -0.16 0.05 0.00 -2.44 0.00 0.00 57.07 54.48 3i8h s TYR 62 Cb -0.07 -2.67 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 3i8h s TYR 62 CO -0.18 -0.48 -0.24 0.42 -1.34 0.00 0.00 175.55 173.74 3i8h s ILE 63 N 1.96 2.15 -0.14 3.14 1.09 0.62 -2.58 121.20 127.44 3i8h s ILE 63 Ca 0.10 -1.01 -0.07 0.00 -1.10 0.00 0.00 60.65 58.57 3i8h s ILE 63 Cb -0.17 -1.80 -0.04 0.00 -1.06 0.00 0.00 42.46 39.39 3i8h s ILE 63 CO 0.12 0.56 0.11 -0.89 -0.10 0.00 0.00 174.94 174.74 3i8h s THR 64 N 0.03 5.25 -0.09 2.92 2.01 -1.07 -0.99 115.64 123.71 3i8h s THR 64 Ca -0.09 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3i8h s THR 64 Cb -0.15 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.06 3i8h s THR 64 CO 0.06 0.55 -0.08 0.54 -0.69 0.00 0.00 174.62 175.00 3i8h s VAL 65 N -0.49 0.95 -0.16 3.82 0.11 -1.26 -0.23 120.40 123.13 3i8h s VAL 65 Ca 0.12 -0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 58.82 3i8h s VAL 65 Cb -0.12 -0.95 0.08 0.00 -1.53 0.00 0.00 36.38 33.86 3i8h s VAL 65 CO 0.02 0.34 0.34 -0.13 -3.33 0.00 0.00 175.10 172.34 3i8h s ARG 66 N 1.36 0.24 0.00 1.54 0.52 -0.53 -5.02 118.95 117.07 3i8h s ARG 66 Ca -0.02 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 3i8h s ARG 66 Cb -0.14 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.48 3i8h s ARG 66 CO -0.04 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.43 3i8h n GLY 67 N 5.32 1.36 7.00 -3.53 0.00 -1.26 -2.07 105.19 112.00 3i8h n GLY 67 Ca -0.08 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3i8h n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 68 N 1.63 0.95 3.47 -0.02 0.00 0.39 -4.30 105.19 107.31 3i8h n GLY 68 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 3i8h n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8h s GLY 69 N -2.23 1.74 0.26 -0.02 0.00 -1.26 -4.88 107.32 100.93 3i8h s GLY 69 Ca 0.00 -1.63 0.15 0.00 0.00 0.00 0.00 44.72 43.24 3i8h s GLY 69 CO 0.00 -1.67 1.13 1.17 0.00 0.00 0.00 173.10 173.74 3i8h n LYS 70 N 0.06 -0.04 0.01 2.90 3.00 -1.26 -0.13 118.16 122.70 3i8h n LYS 70 Ca -0.11 0.99 -0.10 0.00 -0.00 0.00 0.00 58.31 59.09 3i8h n LYS 70 Cb 0.56 -1.78 -0.08 0.00 0.00 0.00 0.00 35.03 33.74 3i8h n LYS 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3i8h h SER 71 N 0.00 -0.12 -1.01 3.14 0.87 -1.98 -2.09 113.55 112.37 3i8h h SER 71 Ca 0.61 -0.43 0.25 0.00 -1.23 0.00 0.00 61.79 60.99 3i8h h SER 71 Cb 1.60 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 63.51 3i8h h SER 71 CO -0.55 0.51 0.66 1.23 -0.53 0.00 0.00 176.83 178.15 3i8h h GLY 72 N -0.91 0.99 0.81 5.77 0.00 -0.82 0.48 103.07 109.39 3i8h h GLY 72 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3i8h h GLY 72 CO 0.02 -0.08 -0.03 1.46 0.00 0.00 0.00 176.54 177.91 3i8h h GLN 73 N 0.36 -0.09 -1.01 4.80 4.20 -0.90 -0.17 115.11 122.31 3i8h h GLN 73 Ca 0.55 0.01 0.24 0.00 0.06 0.00 0.00 58.65 59.51 3i8h h GLN 73 Cb 1.47 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.18 3i8h h GLN 73 CO -0.23 0.11 0.65 0.82 -0.67 0.00 0.00 178.83 179.51 3i8h h ILE 74 N -0.28 0.58 0.00 2.54 2.04 0.67 0.23 117.51 123.29 3i8h h ILE 74 Ca -0.01 -0.15 -0.25 0.00 1.00 0.00 0.00 64.86 65.44 3i8h h ILE 74 Cb 0.24 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 3i8h h ILE 74 CO 0.02 0.08 -1.36 0.44 0.00 0.00 0.00 178.15 177.32 3i8h h ASP 75 N 0.45 0.01 -0.09 1.72 3.32 -1.23 -2.90 116.42 117.70 3i8h h ASP 75 Ca 0.57 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.60 3i8h h ASP 75 Cb 1.35 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 3i8h h ASP 75 CO -0.28 1.01 0.05 0.00 -1.72 0.00 0.00 179.24 178.30 3i8h h ALA 76 N 0.98 0.11 -0.67 3.45 0.00 0.11 0.56 119.26 123.81 3i8h h ALA 76 Ca -0.15 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3i8h h ALA 76 Cb 1.90 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 3i8h h ALA 76 CO 0.11 -0.35 0.39 0.82 0.00 0.00 0.00 179.25 180.22 3i8h h ILE 77 N 0.05 1.03 -0.64 0.00 2.04 -0.78 -1.31 117.51 117.90 3i8h h ILE 77 Ca 0.03 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3i8h h ILE 77 Cb 0.07 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 3i8h h ILE 77 CO -0.01 0.14 0.38 0.50 0.00 0.00 0.00 178.15 179.16 3i8h h LYS 78 N 0.75 0.86 -0.42 2.37 3.64 -1.24 -1.52 116.57 121.02 3i8h h LYS 78 Ca 0.28 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3i8h h LYS 78 Cb 0.10 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3i8h h LYS 78 CO -0.14 0.61 0.07 1.25 -2.27 0.00 0.00 179.45 178.96 3i8h h LEU 79 N 0.88 0.60 0.19 5.20 7.12 0.26 -3.07 115.31 126.49 3i8h h LEU 79 Ca 0.23 -0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 3i8h h LEU 79 Cb -0.03 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 39.94 3i8h h LEU 79 CO -0.04 0.63 -0.09 1.23 -0.13 0.00 0.00 178.44 180.03 3i8h h GLY 80 N 0.87 -0.27 -0.88 3.75 0.00 -0.87 -2.76 103.07 102.91 3i8h h GLY 80 Ca 0.14 0.10 0.33 0.00 0.00 0.00 0.00 47.33 47.89 3i8h h GLY 80 CO 0.00 -0.10 0.54 1.39 0.00 0.00 0.00 176.54 178.38 3i8h n ILE 81 N -4.24 -0.23 0.00 2.60 2.08 -0.66 0.20 119.36 119.11 3i8h n ILE 81 Ca -0.03 1.36 0.00 0.00 0.56 0.00 0.00 62.75 64.63 3i8h n ILE 81 Cb 0.10 -2.21 0.00 0.00 -0.75 0.00 0.00 39.64 36.78 3i8h n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8h n ALA 82 N -2.52 -0.12 0.30 -1.39 0.00 -1.16 -1.39 120.51 114.22 3i8h n ALA 82 Ca 0.28 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.90 3i8h n ALA 82 Cb 1.05 0.00 0.89 0.00 0.00 0.00 0.00 19.45 21.39 3i8h n ALA 82 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i8h h ARG 83 N 0.00 0.00 0.19 0.00 0.11 -0.74 -0.39 114.38 113.56 3i8h h ARG 83 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3i8h h ARG 83 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3i8h h ARG 83 CO 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 179.97 179.98 3i8h h ALA 84 N 1.52 -0.26 -0.09 0.08 0.00 0.23 -2.84 119.26 117.90 3i8h h ALA 84 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i8h h ALA 84 Cb 0.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i8h h ALA 84 CO -0.00 -0.33 0.00 1.47 0.00 0.00 0.00 179.25 180.39 3i8h n LEU 85 N -4.96 1.02 -0.10 0.00 -0.00 -0.40 -2.41 117.00 110.16 3i8h n LEU 85 Ca -0.08 -0.51 -0.10 0.00 -0.00 0.00 0.00 56.01 55.32 3i8h n LEU 85 Cb 0.26 -0.27 -0.16 0.00 -0.00 0.00 0.00 43.42 43.25 3i8h n LEU 85 CO 0.24 0.21 -1.14 0.55 -0.00 0.00 0.00 177.39 177.25 3i8h n VAL 86 N -0.08 1.35 0.15 1.47 3.14 -0.29 -4.14 118.33 119.93 3i8h n VAL 86 Ca 0.04 -0.84 -0.14 0.00 -2.96 0.00 0.00 64.34 60.44 3i8h n VAL 86 Cb 0.21 -0.47 -0.08 0.00 -1.06 0.00 0.00 33.84 32.44 3i8h n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3i8h h GLN 87 N 0.00 -0.32 -6.16 1.45 4.15 -1.22 -2.42 115.11 110.58 3i8h h GLN 87 Ca -0.53 0.02 -0.57 0.00 0.77 0.00 0.00 58.65 58.34 3i8h h GLN 87 Cb 2.21 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 29.93 3i8h h GLN 87 CO 0.03 -0.15 0.54 -0.47 -1.93 0.00 0.00 178.83 176.84 3i8h s TYR 88 N -5.79 3.47 -0.65 3.99 6.04 -1.20 -3.81 117.35 119.40 3i8h s TYR 88 Ca -0.15 1.49 -0.01 0.00 0.04 0.00 0.00 57.07 58.44 3i8h s TYR 88 Cb 0.04 -3.15 -0.01 0.00 -1.04 0.00 0.00 41.96 37.81 3i8h s TYR 88 CO 0.63 -0.25 0.61 0.09 -1.54 0.00 0.00 175.55 175.09 3i8h n ASN 89 N 5.18 -6.67 0.19 4.32 3.02 -1.26 -4.69 115.26 115.36 3i8h n ASN 89 Ca 0.08 -0.14 0.11 0.00 -0.03 0.00 0.00 54.58 54.60 3i8h n ASN 89 Cb 0.48 -4.55 0.58 0.00 -0.61 0.00 0.00 39.78 35.69 3i8h n ASN 89 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3i8h h PRO 90 N 0.18 0.00 0.00 3.52 0.13 -1.53 0.22 132.00 134.52 3i8h h PRO 90 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3i8h h PRO 90 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3i8h h PRO 90 CO 0.27 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.64 3i8h n ASP 91 N -2.31 0.00 -0.26 1.44 5.75 -1.26 -2.90 116.55 117.01 3i8h n ASP 91 Ca -0.01 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 3i8h n ASP 91 Cb 0.17 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3i8h n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3i8h n TYR 92 N -1.44 0.00 -0.03 2.11 0.53 0.06 -3.25 117.16 115.15 3i8h n TYR 92 Ca 0.06 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.78 3i8h n TYR 92 Cb 0.20 -0.04 -0.09 0.00 -1.03 0.00 0.00 39.34 38.39 3i8h n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3i8h h ARG 93 N 0.12 0.47 -4.02 -0.72 9.65 -1.77 -3.22 114.38 114.89 3i8h h ARG 93 Ca 0.00 -0.38 -0.65 0.00 -1.10 0.00 0.00 59.98 57.85 3i8h h ARG 93 Cb 0.20 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3i8h h ARG 93 CO 0.00 1.01 2.86 0.00 2.80 0.00 0.00 179.97 186.64 3i8h n ALA 94 N -2.53 4.88 0.00 2.80 0.00 -1.20 -0.54 120.51 123.91 3i8h n ALA 94 Ca -0.08 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.89 3i8h n ALA 94 Cb 0.57 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.51 3i8h n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i8h n LYS 95 N 5.99 0.00 -0.05 0.00 -0.00 -1.26 -4.98 118.16 117.87 3i8h n LYS 95 Ca 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.79 3i8h n LYS 95 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.37 3i8h n LYS 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i8h n LEU 96 N 0.00 1.27 0.05 -5.58 7.94 0.27 -4.29 117.00 116.65 3i8h n LEU 96 Ca 0.00 0.21 -0.11 0.00 -1.11 0.00 0.00 56.01 55.00 3i8h n LEU 96 Cb 0.00 -0.60 -0.04 0.00 0.53 0.00 0.00 43.42 43.31 3i8h n LEU 96 CO 0.00 -0.40 0.68 0.50 -1.11 0.00 0.00 177.39 177.07 3i8h h LYS 97 N -0.58 -0.38 -0.96 1.96 1.63 -1.10 0.50 116.57 117.63 3i8h h LYS 97 Ca 0.00 0.03 0.21 0.00 -0.85 0.00 0.00 60.65 60.04 3i8h h LYS 97 Cb 0.58 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.22 3i8h h LYS 97 CO 0.00 -0.25 0.62 -1.35 -3.45 0.00 0.00 179.45 175.02 3i8h h PRO 98 N -0.40 0.48 -0.01 1.90 0.11 -1.84 0.97 132.00 133.22 3i8h h PRO 98 Ca 0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3i8h h PRO 98 Cb 0.49 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3i8h h PRO 98 CO -0.25 0.32 -0.23 1.28 -0.21 0.00 0.00 178.00 178.91 3i8h n LEU 99 N -4.60 1.00 -2.40 2.35 7.99 -0.62 -4.95 117.00 115.77 3i8h n LEU 99 Ca 0.22 -0.25 -0.20 0.00 -0.01 0.00 0.00 56.01 55.77 3i8h n LEU 99 Cb 0.71 -0.12 -0.01 0.00 -0.11 0.00 0.00 43.42 43.89 3i8h n LEU 99 CO 0.27 0.19 -0.26 0.61 -1.51 0.00 0.00 177.39 176.69 3i8h n GLY 100 N 1.33 -0.50 0.00 -0.72 0.00 0.34 -4.84 105.19 100.80 3i8h n GLY 100 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3i8h n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i8h n PHE 101 N -3.94 0.00 -2.62 1.61 0.99 -0.62 -3.50 117.46 109.38 3i8h n PHE 101 Ca -0.24 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 56.99 3i8h n PHE 101 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.16 3i8h n PHE 101 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3i8h n LEU 102 N -0.67 3.73 -3.91 4.37 0.00 -1.26 -4.55 117.00 114.71 3i8h n LEU 102 Ca 0.07 -4.92 -0.09 0.00 0.00 0.00 0.00 56.01 51.07 3i8h n LEU 102 Cb 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 43.42 43.16 3i8h n LEU 102 CO 0.06 2.10 -0.17 -0.89 0.00 0.00 0.00 177.39 178.49 3i8h s THR 103 N -4.69 0.14 -0.01 1.96 2.01 -1.23 -5.03 115.64 108.79 3i8h s THR 103 Ca 0.43 -1.14 0.05 0.00 0.31 0.00 0.00 61.69 61.34 3i8h s THR 103 Cb 0.40 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 3i8h s THR 103 CO -0.12 -0.63 -0.14 -0.60 -0.69 0.00 0.00 174.62 172.44 3i8h s ARG 104 N -3.04 2.38 -0.81 4.92 3.52 -1.26 -4.96 118.95 119.69 3i8h s ARG 104 Ca -0.01 -0.79 -0.25 0.00 -0.13 0.00 0.00 55.73 54.54 3i8h s ARG 104 Cb 0.01 -2.35 0.01 0.00 -1.56 0.00 0.00 34.95 31.07 3i8h s ARG 104 CO -0.07 0.59 1.54 -0.51 -0.81 0.00 0.00 175.30 176.04 3i8h s ASP 105 N -1.14 5.93 0.50 -2.12 -0.00 -1.26 -4.80 116.67 113.79 3i8h s ASP 105 Ca 0.14 -0.60 0.20 0.00 -0.00 0.00 0.00 52.55 52.29 3i8h s ASP 105 Cb -0.11 -2.56 1.26 0.00 -0.00 0.00 0.00 42.92 41.52 3i8h s ASP 105 CO 0.04 -1.99 2.02 0.00 -0.00 0.00 0.00 175.17 175.25 3i8h h ALA 106 N 11.14 2.25 -0.47 5.23 0.00 -1.98 -3.39 119.26 132.04 3i8h h ALA 106 Ca -0.09 -0.01 -0.79 0.00 0.00 0.00 0.00 54.91 54.01 3i8h h ALA 106 Cb 1.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3i8h h ALA 106 CO 1.30 -0.37 1.12 0.54 0.00 0.00 0.00 179.25 181.84 3i8h n ARG 107 N -4.44 0.15 -3.82 0.00 1.74 -1.26 -4.93 116.66 104.10 3i8h n ARG 107 Ca 0.07 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 57.08 3i8h n ARG 107 Cb 0.43 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 3i8h n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i8h s VAL 108 N 5.11 0.06 -0.91 1.55 -7.23 -1.26 -4.65 120.40 113.06 3i8h s VAL 108 Ca 1.14 -0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 60.51 3i8h s VAL 108 Cb -1.42 -0.47 -0.20 0.00 0.56 0.00 0.00 36.38 34.85 3i8h s VAL 108 CO 0.69 -0.27 2.65 0.52 -0.31 0.00 0.00 175.10 178.38 3i8h n VAL 109 N 1.68 -0.01 -1.92 1.32 0.31 -1.26 -4.83 118.33 113.62 3i8h n VAL 109 Ca -0.20 -0.13 -0.39 0.00 -0.01 0.00 0.00 64.34 63.61 3i8h n VAL 109 Cb 0.56 -0.87 0.02 0.00 -0.91 0.00 0.00 33.84 32.64 3i8h n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3i8h s GLU 110 N 8.87 3.56 0.28 5.55 2.12 -1.26 -4.93 118.70 132.88 3i8h s GLU 110 Ca 1.30 2.20 -0.30 0.00 0.36 0.00 0.00 54.97 58.53 3i8h s GLU 110 Cb -1.09 -2.49 -0.13 0.00 0.26 0.00 0.00 34.13 30.68 3i8h s GLU 110 CO 0.45 -0.84 1.33 -2.13 -0.54 0.00 0.00 175.26 173.53 3i8h n ARG 111 N -0.48 1.98 -2.81 4.30 0.63 -1.26 -4.90 116.66 114.12 3i8h n ARG 111 Ca 0.07 0.70 -0.39 0.00 -0.92 0.00 0.00 57.85 57.31 3i8h n ARG 111 Cb 0.44 -2.30 -0.06 0.00 0.45 0.00 0.00 32.46 30.99 3i8h n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i8h s LYS 112 N -1.00 4.72 0.38 -0.14 2.36 -1.26 -4.51 119.74 120.30 3i8h s LYS 112 Ca 0.63 1.37 0.08 0.00 -2.55 0.00 0.00 55.97 55.50 3i8h s LYS 112 Cb -0.63 -3.16 -0.03 0.00 -1.05 0.00 0.00 37.83 32.96 3i8h s LYS 112 CO 0.55 0.47 0.31 0.15 1.55 0.00 0.00 175.35 178.38 3i8h s LYS 113 N -1.39 2.57 0.21 4.03 3.01 -1.26 -4.79 119.74 122.12 3i8h s LYS 113 Ca 0.42 -1.46 -0.21 0.00 -1.01 0.00 0.00 55.97 53.71 3i8h s LYS 113 Cb -0.24 -2.37 -0.08 0.00 -1.01 0.00 0.00 37.83 34.13 3i8h s LYS 113 CO 0.29 -0.05 0.73 1.52 0.51 0.00 0.00 175.35 178.35 3i8h s TYR 114 N -2.41 3.70 0.00 3.18 -0.00 -1.26 -3.27 117.35 117.29 3i8h s TYR 114 Ca 0.44 1.43 0.00 0.00 -0.00 0.00 0.00 57.07 58.94 3i8h s TYR 114 Cb -0.04 -2.64 0.00 0.00 -0.00 0.00 0.00 41.96 39.28 3i8h s TYR 114 CO 0.27 0.37 0.00 0.41 -0.00 0.00 0.00 175.55 176.60 3i8h n GLY 115 N 0.90 0.69 2.72 5.49 0.00 -1.26 -4.98 105.19 108.75 3i8h n GLY 115 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 3i8h n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8h s LYS 116 N -0.09 0.26 0.13 1.61 1.02 -1.20 -4.25 119.74 117.21 3i8h s LYS 116 Ca 0.00 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.91 3i8h s LYS 116 Cb 0.00 -0.92 0.37 0.00 -0.52 0.00 0.00 37.83 36.76 3i8h s LYS 116 CO 0.00 -0.91 0.63 0.72 -0.92 0.00 0.00 175.35 174.87 3i8h n HIS 117 N 5.30 0.31 -2.90 3.18 8.25 -0.59 -2.92 115.22 125.86 3i8h n HIS 117 Ca -0.04 0.48 -0.13 0.00 -0.26 0.00 0.00 57.72 57.77 3i8h n HIS 117 Cb 0.47 -0.84 0.03 0.00 1.12 0.00 0.00 29.99 30.77 3i8h n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i8h n LYS 118 N -4.26 1.06 0.00 -0.41 5.02 -1.17 -4.96 118.16 113.44 3i8h n LYS 118 Ca 0.11 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 3i8h n LYS 118 Cb 0.36 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3i8h n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8h n ALA 119 N 0.09 0.00 0.00 7.82 0.00 -1.15 -3.97 120.51 123.30 3i8h n ALA 119 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3i8h n ALA 119 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 3i8h n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8h n ARG 120 N 0.00 0.96 -1.84 0.00 1.74 -1.26 -4.45 116.66 111.80 3i8h n ARG 120 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3i8h n ARG 120 Cb 0.00 -0.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.72 3i8h n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i8h s ARG 121 N -1.38 2.39 0.59 5.56 3.00 -1.25 -4.92 118.95 122.93 3i8h s ARG 121 Ca 0.00 0.89 -0.14 0.00 -1.00 0.00 0.00 55.73 55.49 3i8h s ARG 121 Cb 0.00 -4.50 -0.05 0.00 0.00 0.00 0.00 34.95 30.41 3i8h s ARG 121 CO 0.00 -3.01 1.02 0.00 0.00 0.00 0.00 175.30 173.31 3i8h s ALA 122 N 10.48 3.00 0.64 6.12 0.00 -1.26 -1.55 121.76 139.19 3i8h s ALA 122 Ca 0.80 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 3i8h s ALA 122 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3i8h s ALA 122 CO 0.22 -0.60 1.30 -1.25 0.00 0.00 0.00 175.76 175.42 3i8h s PRO 123 N -4.64 2.62 -0.00 0.00 0.04 -1.26 -4.79 135.00 126.98 3i8h s PRO 123 Ca 0.58 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 3i8h s PRO 123 Cb -0.12 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 3i8h s PRO 123 CO 0.44 -1.55 1.94 -1.14 0.04 0.00 0.00 177.00 176.73 3i8h s GLN 124 N -3.33 4.06 0.65 4.56 0.74 -1.26 -4.97 119.66 120.10 3i8h s GLN 124 Ca 0.82 2.48 -0.17 0.00 0.05 0.00 0.00 55.36 58.53 3i8h s GLN 124 Cb -0.38 -4.15 -0.01 0.00 1.10 0.00 0.00 33.01 29.57 3i8h s GLN 124 CO 0.40 -1.04 1.24 -0.47 -0.55 0.00 0.00 175.29 174.86 3i8h s TYR 125 N 4.74 2.19 0.00 1.67 6.04 -1.26 -5.00 117.35 125.73 3i8h s TYR 125 Ca 0.87 1.53 0.00 0.00 0.04 0.00 0.00 57.07 59.51 3i8h s TYR 125 Cb -0.40 -3.55 0.00 0.00 -1.04 0.00 0.00 41.96 36.97 3i8h s TYR 125 CO 0.39 -2.57 0.00 0.43 -1.54 0.00 0.00 175.55 172.26 3i8h n SER 126 N -2.01 3.89 0.00 4.32 7.64 -1.26 -5.02 113.62 121.17 3i8h n SER 126 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3i8h n SER 126 Cb 0.49 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 3i8h n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3i8h n LYS 127 N -2.20 0.00 0.00 1.43 4.81 -1.26 -5.38 118.16 115.57 3i8h n LYS 127 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3i8h n LYS 127 Cb 0.45 -2.25 0.24 0.00 0.02 0.00 0.00 35.03 33.48 3i8h n LYS 127 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44