#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8g s GLN 3 N 0.00 0.28 -0.24 5.31 -0.21 -1.25 -4.53 119.66 119.02 3i8g s GLN 3 Ca 0.00 0.56 -0.16 0.00 0.02 0.00 0.00 55.36 55.77 3i8g s GLN 3 Cb 0.00 -0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.95 3i8g s GLN 3 CO 0.00 -0.13 0.44 0.71 -2.12 0.00 0.00 175.29 174.19 3i8g s TYR 4 N 1.01 3.30 0.03 0.91 1.51 -0.00 -4.82 117.35 119.29 3i8g s TYR 4 Ca -0.07 0.57 0.07 0.00 -1.01 0.00 0.00 57.07 56.63 3i8g s TYR 4 Cb -0.08 -2.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.14 3i8g s TYR 4 CO -0.07 -0.17 -0.20 -0.47 -1.11 0.00 0.00 175.55 173.53 3i8g s TYR 5 N 1.87 1.78 0.15 2.71 6.14 -1.25 -0.63 117.35 128.11 3i8g s TYR 5 Ca 0.19 -0.36 -0.13 0.00 0.64 0.00 0.00 57.07 57.41 3i8g s TYR 5 Cb -0.15 -1.08 0.01 0.00 0.42 0.00 0.00 41.96 41.16 3i8g s TYR 5 CO 0.09 0.06 0.35 0.20 0.64 0.00 0.00 175.55 176.89 3i8g s GLY 6 N -0.98 0.07 0.13 8.97 0.00 -0.96 -3.96 107.32 110.59 3i8g s GLY 6 Ca 0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 44.72 44.30 3i8g s GLY 6 CO 0.01 -0.56 0.34 -1.59 0.00 0.00 0.00 173.10 171.30 3i8g s THR 7 N -3.88 5.22 -0.12 0.90 2.01 -1.26 -2.38 115.64 116.13 3i8g s THR 7 Ca 0.09 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 3i8g s THR 7 Cb 0.02 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.95 3i8g s THR 7 CO -0.06 0.05 0.08 -0.83 -0.69 0.00 0.00 174.62 173.17 3i8g s GLY 8 N -2.49 0.27 -0.07 4.40 0.00 0.63 -3.22 107.32 106.85 3i8g s GLY 8 Ca 0.40 -0.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.03 3i8g s GLY 8 CO 0.26 1.60 0.15 0.50 0.00 0.00 0.00 173.10 175.61 3i8g s ARG 9 N 2.16 0.10 -0.33 2.90 0.52 -1.19 0.52 118.95 123.63 3i8g s ARG 9 Ca 0.03 0.39 0.05 0.00 -0.52 0.00 0.00 55.73 55.69 3i8g s ARG 9 Cb -0.14 -0.18 0.18 0.00 0.52 0.00 0.00 34.95 35.33 3i8g s ARG 9 CO -0.07 -0.17 0.54 0.50 0.02 0.00 0.00 175.30 176.12 3i8g s ARG 10 N 1.23 0.61 -0.78 3.54 3.00 -1.09 -4.71 118.95 120.76 3i8g s ARG 10 Ca -0.09 0.07 -0.02 0.00 -1.00 0.00 0.00 55.73 54.70 3i8g s ARG 10 Cb -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 34.95 34.80 3i8g s ARG 10 CO -0.06 -1.10 0.72 1.17 0.00 0.00 0.00 175.30 176.02 3i8g n LYS 11 N 4.99 -1.50 -2.98 5.12 4.81 -1.26 -3.51 118.16 123.82 3i8g n LYS 11 Ca 0.06 1.25 -0.17 0.00 -0.87 0.00 0.00 58.31 58.59 3i8g n LYS 11 Cb 0.53 -5.53 0.04 0.00 0.02 0.00 0.00 35.03 30.09 3i8g n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3i8g n GLU 12 N -2.15 -4.40 -4.00 1.64 0.00 -1.26 -4.86 120.64 105.61 3i8g n GLU 12 Ca -0.02 0.66 -0.31 0.00 0.00 0.00 0.00 57.16 57.49 3i8g n GLU 12 Cb 0.53 -5.04 -0.15 0.00 0.00 0.00 0.00 31.44 26.78 3i8g n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i8g s ALA 13 N -3.09 2.77 -0.46 4.31 0.00 -1.23 -3.18 121.76 120.88 3i8g s ALA 13 Ca 0.29 -2.43 -0.18 0.00 0.00 0.00 0.00 51.96 49.64 3i8g s ALA 13 Cb -0.13 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.11 3i8g s ALA 13 CO 0.36 -1.67 0.51 0.08 0.00 0.00 0.00 175.76 175.05 3i8g s VAL 14 N 0.97 5.02 -0.02 0.00 1.01 -0.93 -2.65 120.40 123.79 3i8g s VAL 14 Ca 0.10 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3i8g s VAL 14 Cb -0.19 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3i8g s VAL 14 CO -0.09 -0.60 -0.09 0.00 0.00 0.00 0.00 175.10 174.31 3i8g s ALA 15 N 2.27 0.84 -0.20 5.51 0.00 0.19 -0.70 121.76 129.66 3i8g s ALA 15 Ca 0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 3i8g s ALA 15 Cb -0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3i8g s ALA 15 CO 0.12 0.15 -0.03 1.03 0.00 0.00 0.00 175.76 177.03 3i8g s ARG 16 N 0.11 3.47 -0.14 0.00 0.52 0.20 -0.26 118.95 122.85 3i8g s ARG 16 Ca -0.02 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 54.55 3i8g s ARG 16 Cb -0.07 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 3i8g s ARG 16 CO 0.00 -0.08 0.05 0.08 0.02 0.00 0.00 175.30 175.37 3i8g s VAL 17 N 1.19 4.69 -0.01 3.52 1.01 -1.00 -1.25 120.40 128.54 3i8g s VAL 17 Ca 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3i8g s VAL 17 Cb -0.14 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3i8g s VAL 17 CO -0.00 0.54 -0.05 -0.36 0.00 0.00 0.00 175.10 175.23 3i8g s PHE 18 N -0.32 0.57 0.09 5.22 0.40 0.21 -2.26 117.98 121.90 3i8g s PHE 18 Ca 0.08 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.37 3i8g s PHE 18 Cb -0.12 -0.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 3i8g s PHE 18 CO 0.02 -0.05 -0.19 -0.51 0.70 0.00 0.00 175.22 175.19 3i8g s LEU 19 N 0.12 2.30 -0.31 -0.37 1.43 0.20 0.15 118.68 122.21 3i8g s LEU 19 Ca -0.01 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 3i8g s LEU 19 Cb -0.05 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.53 3i8g s LEU 19 CO -0.00 0.01 0.21 -0.13 0.23 0.00 0.00 176.35 176.66 3i8g s ARG 20 N -1.89 0.32 -0.86 1.70 3.00 -0.89 -0.82 118.95 119.51 3i8g s ARG 20 Ca 0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 55.73 55.10 3i8g s ARG 20 Cb -0.10 -1.02 -0.29 0.00 0.00 0.00 0.00 34.95 33.54 3i8g s ARG 20 CO 0.04 -1.07 1.96 -2.30 0.00 0.00 0.00 175.30 173.92 3i8g n PRO 21 N 4.98 0.00 0.00 3.54 -0.02 -1.26 -2.60 135.00 139.64 3i8g n PRO 21 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3i8g n PRO 21 Cb 0.43 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 3i8g n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i8g n GLY 22 N 5.22 4.25 0.36 -1.23 0.00 -1.18 -4.86 105.19 107.75 3i8g n GLY 22 Ca 0.59 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 3i8g n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i8g n ASN 23 N 0.00 -0.83 0.00 1.61 0.23 -1.26 -4.04 115.26 110.97 3i8g n ASN 23 Ca 0.00 1.54 0.00 0.00 -0.53 0.00 0.00 54.58 55.59 3i8g n ASN 23 Cb 0.00 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 3i8g n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i8g n GLY 24 N -1.27 1.05 3.29 4.83 0.00 -1.19 -4.73 105.19 107.17 3i8g n GLY 24 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3i8g n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i8g n LYS 25 N 0.00 -0.47 -3.74 1.61 2.85 -1.26 -4.13 118.16 113.01 3i8g n LYS 25 Ca 0.00 -0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.02 3i8g n LYS 25 Cb 0.00 -1.62 -0.14 0.00 -0.65 0.00 0.00 35.03 32.62 3i8g n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3i8g s VAL 26 N -2.27 -0.04 0.04 0.58 1.01 -1.25 0.23 120.40 118.69 3i8g s VAL 26 Ca 0.52 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3i8g s VAL 26 Cb -0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3i8g s VAL 26 CO 0.70 0.07 -0.10 -0.89 0.00 0.00 0.00 175.10 174.87 3i8g s THR 27 N 1.21 0.79 -0.08 3.92 2.01 -0.71 -2.84 115.64 119.94 3i8g s THR 27 Ca -0.09 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 3i8g s THR 27 Cb -0.11 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.67 3i8g s THR 27 CO -0.07 -0.13 0.20 -0.69 -0.69 0.00 0.00 174.62 173.23 3i8g s VAL 28 N -0.94 -0.02 -1.60 3.82 1.01 -0.91 -1.27 120.40 120.49 3i8g s VAL 28 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3i8g s VAL 28 Cb -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3i8g s VAL 28 CO 0.01 0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.72 3i8g n ASN 29 N 3.48 -3.97 -0.72 3.32 4.13 -1.23 -0.96 115.26 119.31 3i8g n ASN 29 Ca -0.18 0.37 -0.02 0.00 1.68 0.00 0.00 54.58 56.44 3i8g n ASN 29 Cb 0.56 -3.64 0.01 0.00 -1.54 0.00 0.00 39.78 35.16 3i8g n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i8g n GLY 30 N -0.28 0.85 3.09 7.41 0.00 -1.26 -5.08 105.19 109.92 3i8g n GLY 30 Ca -0.15 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 3i8g n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8g s GLN 31 N -5.08 0.56 0.47 1.61 -0.21 -0.13 -5.12 119.66 111.76 3i8g s GLN 31 Ca 0.04 -0.88 -0.22 0.00 0.02 0.00 0.00 55.36 54.31 3i8g s GLN 31 Cb -0.02 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 34.13 3i8g s GLN 31 CO 0.05 -0.12 1.13 -0.51 -2.12 0.00 0.00 175.29 173.71 3i8g s ASP 32 N -2.29 6.21 0.16 5.90 1.01 -1.26 -2.13 116.67 124.27 3i8g s ASP 32 Ca -0.03 2.20 -0.22 0.00 0.71 0.00 0.00 52.55 55.22 3i8g s ASP 32 Cb 0.00 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.40 3i8g s ASP 32 CO -0.06 -0.88 1.62 0.15 0.21 0.00 0.00 175.17 176.20 3i8g h PHE 33 N 1.93 -0.73 -0.78 4.23 3.57 -1.92 -1.14 116.94 122.10 3i8g h PHE 33 Ca -0.49 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.13 3i8g h PHE 33 Cb 1.24 0.37 -0.06 0.00 2.79 0.00 0.00 35.95 40.29 3i8g h PHE 33 CO 0.54 -0.34 0.46 -0.91 -2.23 0.00 0.00 178.31 175.83 3i8g h ASN 34 N -0.23 0.69 -0.80 0.41 4.21 -1.91 0.45 115.58 118.40 3i8g h ASN 34 Ca 0.17 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.71 3i8g h ASN 34 Cb 0.49 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.55 3i8g h ASN 34 CO -0.48 0.43 0.52 -0.08 -1.29 0.00 0.00 177.43 176.53 3i8g h GLU 35 N 0.82 1.06 0.13 0.81 4.81 -1.60 -0.31 114.58 120.30 3i8g h GLU 35 Ca 0.36 -0.07 -0.30 0.00 -0.13 0.00 0.00 59.36 59.22 3i8g h GLU 35 Cb 0.23 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3i8g h GLU 35 CO -0.20 0.72 -1.53 -0.92 -0.73 0.00 0.00 179.01 176.35 3i8g h TYR 36 N 1.09 0.50 -1.00 0.92 3.20 -1.20 -3.36 116.97 117.11 3i8g h TYR 36 Ca 0.29 -0.36 -0.65 0.00 3.14 0.00 0.00 58.73 61.15 3i8g h TYR 36 Cb -0.10 -0.02 -0.27 0.00 1.54 0.00 0.00 36.73 37.87 3i8g h TYR 36 CO -0.01 1.60 0.84 1.19 -1.64 0.00 0.00 178.16 180.13 3i8g n PHE 37 N -3.83 3.03 -2.25 -3.82 0.99 0.13 -5.00 117.46 106.71 3i8g n PHE 37 Ca -0.26 -2.87 -0.37 0.00 -0.00 0.00 0.00 57.45 53.95 3i8g n PHE 37 Cb 0.94 -1.39 -0.01 0.00 -1.00 0.00 0.00 39.48 38.03 3i8g n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3i8g s GLN 38 N -3.61 3.78 0.00 -1.08 0.74 -0.13 -3.67 119.66 115.69 3i8g s GLN 38 Ca 0.60 1.79 0.00 0.00 0.05 0.00 0.00 55.36 57.81 3i8g s GLN 38 Cb 0.48 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 32.15 3i8g s GLN 38 CO -0.04 -0.54 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 3i8g n GLY 39 N 0.47 1.33 3.52 2.59 0.00 -1.26 -4.89 105.19 106.95 3i8g n GLY 39 Ca 0.07 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 3i8g n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8g n LEU 40 N 0.00 0.10 0.11 0.99 4.77 -1.24 -4.70 117.00 117.03 3i8g n LEU 40 Ca 0.00 -1.05 0.05 0.00 -0.03 0.00 0.00 56.01 54.98 3i8g n LEU 40 Cb 0.00 -1.09 0.25 0.00 -2.33 0.00 0.00 43.42 40.25 3i8g n LEU 40 CO 0.00 -2.05 0.70 0.52 -1.33 0.00 0.00 177.39 175.23 3i8g n VAL 41 N 7.10 0.81 0.28 4.08 0.31 -1.26 0.57 118.33 130.22 3i8g n VAL 41 Ca 0.56 0.67 0.07 0.00 -0.01 0.00 0.00 64.34 65.63 3i8g n VAL 41 Cb 0.29 -1.67 -0.10 0.00 -0.91 0.00 0.00 33.84 31.45 3i8g n VAL 41 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3i8g n ARG 42 N -1.82 1.22 -0.31 5.55 1.85 -1.26 -4.55 116.66 117.34 3i8g n ARG 42 Ca -0.01 -0.08 0.11 0.00 -1.00 0.00 0.00 57.85 56.87 3i8g n ARG 42 Cb 0.28 -1.28 0.28 0.00 -1.05 0.00 0.00 32.46 30.69 3i8g n ARG 42 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i8g h ALA 43 N 1.64 1.40 0.00 2.89 0.00 -0.18 -1.27 119.26 123.74 3i8g h ALA 43 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i8g h ALA 43 Cb 0.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i8g h ALA 43 CO 0.00 -0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.37 3i8g n VAL 44 N -4.94 0.13 -0.10 0.00 0.24 -1.26 -3.39 118.33 109.01 3i8g n VAL 44 Ca 0.20 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.27 3i8g n VAL 44 Cb 0.56 -0.38 -0.12 0.00 -1.47 0.00 0.00 33.84 32.43 3i8g n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8g n ALA 45 N 0.62 0.96 -0.30 2.33 0.00 -0.48 -4.49 120.51 119.15 3i8g n ALA 45 Ca 0.00 -0.72 0.22 0.00 0.00 0.00 0.00 53.44 52.95 3i8g n ALA 45 Cb 0.10 -0.36 0.42 0.00 0.00 0.00 0.00 19.45 19.61 3i8g n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8g n ALA 46 N -3.56 0.73 0.63 0.00 0.00 -1.22 0.17 120.51 117.26 3i8g n ALA 46 Ca -0.39 0.95 0.02 0.00 0.00 0.00 0.00 53.44 54.01 3i8g n ALA 46 Cb 0.82 -0.83 0.09 0.00 0.00 0.00 0.00 19.45 19.53 3i8g n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8g n LEU 47 N -5.17 0.00 0.26 0.00 4.32 -1.26 -3.72 117.00 111.43 3i8g n LEU 47 Ca 0.29 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 56.12 3i8g n LEU 47 Cb 0.97 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.68 3i8g n LEU 47 CO -0.02 0.00 0.69 -0.08 -1.22 0.00 0.00 177.39 176.76 3i8g h GLU 48 N 0.00 -0.65 0.00 3.23 4.57 0.14 -1.15 114.58 120.72 3i8g h GLU 48 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3i8g h GLU 48 Cb 0.00 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3i8g h GLU 48 CO 0.00 -0.44 0.00 -0.35 -1.18 0.00 0.00 179.01 177.05 3i8g n PRO 49 N -5.40 0.12 0.00 0.92 -0.04 -1.24 0.14 135.00 129.49 3i8g n PRO 49 Ca -0.11 0.62 0.16 0.00 -0.04 0.00 0.00 63.50 64.12 3i8g n PRO 49 Cb 0.30 -1.89 0.85 0.00 -0.04 0.00 0.00 33.50 32.72 3i8g n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i8g n LEU 50 N -2.14 0.30 -0.02 1.53 4.77 -0.44 -1.64 117.00 119.36 3i8g n LEU 50 Ca -0.01 -0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.87 3i8g n LEU 50 Cb 0.03 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3i8g n LEU 50 CO 0.08 0.05 -0.68 0.54 -1.33 0.00 0.00 177.39 176.06 3i8g n ARG 51 N -0.79 2.12 0.11 3.23 1.74 0.37 -2.68 116.66 120.76 3i8g n ARG 51 Ca 0.22 -0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.29 3i8g n ARG 51 Cb 0.17 -1.17 0.33 0.00 -1.02 0.00 0.00 32.46 30.77 3i8g n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i8g h ALA 52 N 0.42 1.36 -3.44 7.54 0.00 -0.93 -3.39 119.26 120.83 3i8g h ALA 52 Ca -0.13 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 3i8g h ALA 52 Cb 1.08 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.54 3i8g h ALA 52 CO 0.01 0.44 -0.74 0.14 0.00 0.00 0.00 179.25 179.10 3i8g s VAL 53 N -4.53 3.29 -0.05 0.00 -7.23 -0.65 -4.97 120.40 106.26 3i8g s VAL 53 Ca -0.05 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 3i8g s VAL 53 Cb 0.15 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.73 3i8g s VAL 53 CO 0.75 0.53 0.81 0.47 -0.31 0.00 0.00 175.10 177.35 3i8g n ASP 54 N 3.25 0.08 -4.14 4.85 8.00 -1.26 -4.10 116.55 123.22 3i8g n ASP 54 Ca -0.18 0.26 -0.32 0.00 0.71 0.00 0.00 54.79 55.26 3i8g n ASP 54 Cb 0.53 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 3i8g n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8g n ALA 55 N -1.26 1.71 -0.12 2.24 0.00 -1.24 -4.40 120.51 117.44 3i8g n ALA 55 Ca -0.00 -2.88 -0.15 0.00 0.00 0.00 0.00 53.44 50.41 3i8g n ALA 55 Cb 0.45 -3.54 -0.13 0.00 0.00 0.00 0.00 19.45 16.23 3i8g n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8g n LEU 56 N 12.81 1.79 0.00 0.00 0.00 -1.09 -4.49 117.00 126.02 3i8g n LEU 56 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 56.01 56.38 3i8g n LEU 56 Cb 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 43.42 43.52 3i8g n LEU 56 CO 0.85 0.76 -0.13 0.61 0.00 0.00 0.00 177.39 179.47 3i8g n GLY 57 N 2.07 0.44 0.39 -3.96 0.00 -1.26 -4.73 105.19 98.15 3i8g n GLY 57 Ca -0.40 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.79 3i8g n GLY 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i8g h HIS 58 N 0.00 0.48 -2.43 1.61 3.86 -1.83 -3.36 115.15 113.48 3i8g h HIS 58 Ca 0.00 0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.68 3i8g h HIS 58 Cb 0.00 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.25 3i8g h HIS 58 CO 0.00 0.16 -0.58 -0.06 0.86 0.00 0.00 177.93 178.30 3i8g s PHE 59 N -5.39 2.98 0.16 2.45 0.40 -1.26 -3.08 117.98 114.23 3i8g s PHE 59 Ca -0.08 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 3i8g s PHE 59 Cb 0.22 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 3i8g s PHE 59 CO 0.77 0.54 0.03 0.34 0.70 0.00 0.00 175.22 177.60 3i8g s ASP 60 N -3.48 4.96 -0.01 1.36 -1.08 -1.07 -3.15 116.67 114.19 3i8g s ASP 60 Ca 0.31 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 52.06 3i8g s ASP 60 Cb -0.08 -1.13 -0.00 0.00 -1.46 0.00 0.00 42.92 40.25 3i8g s ASP 60 CO 0.22 0.10 -0.06 0.00 0.52 0.00 0.00 175.17 175.95 3i8g s ALA 61 N -1.65 0.54 -0.22 3.66 0.00 0.14 -2.09 121.76 122.14 3i8g s ALA 61 Ca 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 3i8g s ALA 61 Cb -0.10 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.94 3i8g s ALA 61 CO 0.19 0.12 0.08 -0.47 0.00 0.00 0.00 175.76 175.68 3i8g s TYR 62 N -0.06 0.73 0.18 0.00 5.04 0.40 -1.74 117.35 121.90 3i8g s TYR 62 Ca 0.01 -0.81 0.08 0.00 -2.44 0.00 0.00 57.07 53.92 3i8g s TYR 62 Cb -0.03 -0.99 -0.04 0.00 0.35 0.00 0.00 41.96 41.25 3i8g s TYR 62 CO -0.00 -0.65 -0.16 0.42 -1.34 0.00 0.00 175.55 173.81 3i8g s ILE 63 N 1.96 1.75 -0.18 3.14 1.09 -0.40 0.68 121.20 129.24 3i8g s ILE 63 Ca 0.03 -2.06 -0.06 0.00 -1.10 0.00 0.00 60.65 57.46 3i8g s ILE 63 Cb -0.17 -1.93 0.09 0.00 -1.06 0.00 0.00 42.46 39.40 3i8g s ILE 63 CO -0.16 -0.46 0.37 -0.89 -0.10 0.00 0.00 174.94 173.70 3i8g s THR 64 N -2.52 -0.58 0.00 2.92 2.01 -0.38 -3.40 115.64 113.69 3i8g s THR 64 Ca 0.19 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.36 3i8g s THR 64 Cb -0.03 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.86 3i8g s THR 64 CO 0.07 0.06 0.00 0.55 -0.69 0.00 0.00 174.62 174.61 3i8g n VAL 65 N 5.38 0.00 0.00 3.82 3.14 -1.26 -0.63 118.33 128.78 3i8g n VAL 65 Ca -0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 3i8g n VAL 65 Cb 0.50 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 3i8g n VAL 65 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i8g n ARG 66 N -0.13 0.00 0.00 1.45 0.63 0.13 -4.90 116.66 113.83 3i8g n ARG 66 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i8g n ARG 66 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i8g n ARG 66 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8g n GLY 67 N -0.50 -1.29 5.64 5.14 0.00 -1.26 -2.19 105.19 110.73 3i8g n GLY 67 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3i8g n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8g n GLY 68 N -0.06 0.22 3.32 -0.02 0.00 -1.19 -4.48 105.19 102.99 3i8g n GLY 68 Ca 0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 3i8g n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8g s GLY 69 N 0.00 1.35 0.01 -0.02 0.00 -1.26 -5.01 107.32 102.39 3i8g s GLY 69 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 3i8g s GLY 69 CO 0.00 -1.69 0.74 0.28 0.00 0.00 0.00 173.10 172.43 3i8g n LYS 70 N -0.24 -0.01 -0.26 2.90 4.01 -1.26 0.67 118.16 123.96 3i8g n LYS 70 Ca -0.09 0.74 0.10 0.00 -0.51 0.00 0.00 58.31 58.55 3i8g n LYS 70 Cb 0.60 -1.11 0.19 0.00 -0.51 0.00 0.00 35.03 34.20 3i8g n LYS 70 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3i8g n SER 71 N -2.82 -0.13 0.47 4.39 2.88 -1.26 -0.02 113.62 117.13 3i8g n SER 71 Ca 0.00 1.29 -0.20 0.00 -1.33 0.00 0.00 58.87 58.63 3i8g n SER 71 Cb 0.01 -0.45 -0.10 0.00 -0.75 0.00 0.00 64.21 62.92 3i8g n SER 71 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i8g h GLY 72 N 0.00 -1.39 -0.03 0.46 0.00 -0.08 -1.40 103.07 100.64 3i8g h GLY 72 Ca 0.44 0.55 0.08 0.00 0.00 0.00 0.00 47.33 48.40 3i8g h GLY 72 CO -0.73 -0.48 -0.24 1.46 0.00 0.00 0.00 176.54 176.56 3i8g h GLN 73 N -1.27 -0.17 -1.08 4.80 4.20 0.26 0.12 115.11 121.97 3i8g h GLN 73 Ca -0.12 0.01 0.30 0.00 0.06 0.00 0.00 58.65 58.90 3i8g h GLN 73 Cb 1.00 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.71 3i8g h GLN 73 CO 0.15 -0.11 0.68 0.82 -0.67 0.00 0.00 178.83 179.70 3i8g h ILE 74 N -0.17 0.43 0.00 2.54 2.04 -0.36 0.96 117.51 122.95 3i8g h ILE 74 Ca 0.19 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 3i8g h ILE 74 Cb 0.47 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3i8g h ILE 74 CO -0.49 0.07 -0.00 0.44 0.00 0.00 0.00 178.15 178.16 3i8g h ASP 75 N 0.36 -0.00 -0.20 1.72 3.45 0.28 -2.87 116.42 119.16 3i8g h ASP 75 Ca 0.65 -0.79 0.02 0.00 0.43 0.00 0.00 57.03 57.34 3i8g h ASP 75 Cb 1.66 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.41 3i8g h ASP 75 CO -0.38 0.79 0.08 0.00 -1.57 0.00 0.00 179.24 178.16 3i8g h ALA 76 N 0.19 0.23 -0.83 3.45 0.00 0.81 -1.07 119.26 122.04 3i8g h ALA 76 Ca -0.00 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.07 3i8g h ALA 76 Cb 0.79 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 3i8g h ALA 76 CO 0.00 -0.35 0.42 0.82 0.00 0.00 0.00 179.25 180.14 3i8g h ILE 77 N 0.18 0.72 0.00 0.00 2.04 0.74 1.12 117.51 122.30 3i8g h ILE 77 Ca 0.09 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3i8g h ILE 77 Cb 0.05 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 3i8g h ILE 77 CO -0.08 0.11 -0.00 0.50 0.00 0.00 0.00 178.15 178.67 3i8g h LYS 78 N 0.60 0.00 0.06 2.37 3.64 -1.02 -1.38 116.57 120.84 3i8g h LYS 78 Ca 0.45 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.55 3i8g h LYS 78 Cb 0.65 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3i8g h LYS 78 CO -0.37 0.00 -1.49 1.25 -2.27 0.00 0.00 179.45 176.57 3i8g h LEU 79 N 0.00 0.20 -0.11 5.20 7.12 0.24 -3.24 115.31 124.73 3i8g h LEU 79 Ca -0.00 -0.30 -0.14 0.00 0.13 0.00 0.00 57.88 57.57 3i8g h LEU 79 Cb 0.28 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.35 3i8g h LEU 79 CO 0.00 1.25 -0.49 1.23 -0.13 0.00 0.00 178.44 180.31 3i8g h GLY 80 N 2.43 0.58 0.64 3.75 0.00 -0.66 -2.71 103.07 107.09 3i8g h GLY 80 Ca -0.21 -0.80 0.14 0.00 0.00 0.00 0.00 47.33 46.45 3i8g h GLY 80 CO 0.13 0.71 0.55 -2.22 0.00 0.00 0.00 176.54 175.71 3i8g h ILE 81 N 0.13 0.30 0.16 2.60 1.08 -1.38 0.35 117.51 120.75 3i8g h ILE 81 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3i8g h ILE 81 Cb 1.13 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3i8g h ILE 81 CO 0.10 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 177.49 3i8g h ALA 82 N 1.35 -0.26 0.24 1.87 0.00 -1.50 -3.30 119.26 117.65 3i8g h ALA 82 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i8g h ALA 82 Cb 1.32 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3i8g h ALA 82 CO -0.00 -0.25 -0.26 -0.09 0.00 0.00 0.00 179.25 178.65 3i8g h ARG 83 N -0.80 -0.52 -0.62 0.00 2.43 -1.22 -2.65 114.38 111.00 3i8g h ARG 83 Ca -0.02 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.40 3i8g h ARG 83 Cb 0.16 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 29.72 3i8g h ARG 83 CO 0.04 -0.35 0.17 0.00 -1.51 0.00 0.00 179.97 178.32 3i8g n ALA 84 N -2.54 0.47 -0.09 2.80 0.00 0.12 -0.71 120.51 120.55 3i8g n ALA 84 Ca -0.08 0.64 -0.22 0.00 0.00 0.00 0.00 53.44 53.78 3i8g n ALA 84 Cb 0.29 -0.55 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 3i8g n ALA 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i8g n LEU 85 N -4.60 1.97 0.15 0.00 -0.00 -1.10 -3.96 117.00 109.46 3i8g n LEU 85 Ca 0.19 0.38 0.09 0.00 -0.00 0.00 0.00 56.01 56.67 3i8g n LEU 85 Cb 0.63 -0.97 0.46 0.00 -0.00 0.00 0.00 43.42 43.54 3i8g n LEU 85 CO -0.02 0.38 0.79 0.55 -0.00 0.00 0.00 177.39 179.09 3i8g n VAL 86 N -4.29 0.97 0.14 1.47 3.14 -0.57 0.13 118.33 119.33 3i8g n VAL 86 Ca -0.34 0.72 0.02 0.00 -2.96 0.00 0.00 64.34 61.78 3i8g n VAL 86 Cb 0.75 -1.72 0.08 0.00 -1.06 0.00 0.00 33.84 31.89 3i8g n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3i8g h GLN 87 N 0.00 0.00 -0.01 1.45 -0.00 -1.04 -3.07 115.11 112.44 3i8g h GLN 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3i8g h GLN 87 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.68 3i8g h GLN 87 CO 0.00 0.54 -0.56 0.66 0.00 0.00 0.00 178.83 179.47 3i8g n TYR 88 N -3.31 0.00 -3.29 3.99 4.02 0.36 -4.75 117.16 114.18 3i8g n TYR 88 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 3i8g n TYR 88 Cb 0.71 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.97 3i8g n TYR 88 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i8g s ASN 89 N -2.47 0.53 0.44 7.72 0.01 -0.24 -4.97 114.94 115.95 3i8g s ASN 89 Ca 0.15 -1.60 0.28 0.00 -0.71 0.00 0.00 52.86 50.98 3i8g s ASN 89 Cb 0.16 0.82 1.50 0.00 0.41 0.00 0.00 41.25 44.15 3i8g s ASN 89 CO 0.60 -0.22 1.84 1.55 -1.51 0.00 0.00 177.10 179.36 3i8g h PRO 90 N 6.75 0.00 0.00 -0.60 0.13 -1.83 0.49 132.00 136.94 3i8g h PRO 90 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3i8g h PRO 90 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3i8g h PRO 90 CO 0.18 0.00 -0.27 -0.44 -0.23 0.00 0.00 178.00 177.24 3i8g h ASP 91 N 0.00 0.00 -0.65 1.44 3.45 -1.93 -3.27 116.42 115.45 3i8g h ASP 91 Ca 0.00 -0.02 -0.37 0.00 0.43 0.00 0.00 57.03 57.07 3i8g h ASP 91 Cb 0.09 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.73 3i8g h ASP 91 CO 0.00 0.01 0.19 -1.22 -1.57 0.00 0.00 179.24 176.65 3i8g n TYR 92 N -2.78 1.12 -0.03 4.55 4.02 0.17 -3.54 117.16 120.67 3i8g n TYR 92 Ca 0.03 -1.79 -0.03 0.00 -0.01 0.00 0.00 57.90 56.10 3i8g n TYR 92 Cb 0.51 -1.31 -0.04 0.00 -0.02 0.00 0.00 39.34 38.48 3i8g n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3i8g n ARG 93 N 1.19 2.53 -0.22 -0.72 3.00 -1.24 -4.43 116.66 116.78 3i8g n ARG 93 Ca 0.41 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 3i8g n ARG 93 Cb 0.64 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.96 3i8g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i8g n ALA 94 N -2.30 2.82 0.00 5.13 0.00 -1.23 -1.99 120.51 122.94 3i8g n ALA 94 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i8g n ALA 94 Cb 0.67 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3i8g n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i8g n LYS 95 N 1.32 0.00 0.09 0.00 -0.00 -1.26 -4.69 118.16 113.63 3i8g n LYS 95 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 3i8g n LYS 95 Cb 0.33 -0.25 -0.15 0.00 -0.00 0.00 0.00 35.03 34.96 3i8g n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3i8g h LEU 96 N 0.00 0.59 0.02 -5.58 5.85 -1.61 -2.79 115.31 111.79 3i8g h LEU 96 Ca 0.00 -0.75 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 3i8g h LEU 96 Cb 0.00 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3i8g h LEU 96 CO 0.00 1.61 -0.01 0.50 -0.34 0.00 0.00 178.44 180.20 3i8g h LYS 97 N 0.10 -0.03 0.66 1.25 1.63 -1.74 0.67 116.57 119.11 3i8g h LYS 97 Ca -0.26 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.51 3i8g h LYS 97 Cb 2.08 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.70 3i8g h LYS 97 CO 0.20 0.41 -0.50 -1.35 -3.45 0.00 0.00 179.45 174.77 3i8g h PRO 98 N -0.99 -1.08 0.00 1.90 0.11 -1.74 -0.47 132.00 129.73 3i8g h PRO 98 Ca -0.00 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3i8g h PRO 98 Cb 0.46 0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3i8g h PRO 98 CO 0.01 -0.72 0.00 1.28 -0.21 0.00 0.00 178.00 178.36 3i8g n LEU 99 N -5.55 0.00 -3.10 2.35 7.99 -1.05 -4.92 117.00 112.72 3i8g n LEU 99 Ca -0.14 0.02 -0.11 0.00 -0.01 0.00 0.00 56.01 55.77 3i8g n LEU 99 Cb 0.48 -0.02 0.01 0.00 -0.11 0.00 0.00 43.42 43.79 3i8g n LEU 99 CO 0.31 -0.01 -0.34 0.61 -1.51 0.00 0.00 177.39 176.44 3i8g n GLY 100 N -0.11 -1.24 0.35 -0.72 0.00 -0.19 -4.99 105.19 98.30 3i8g n GLY 100 Ca 0.10 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.76 3i8g n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i8g n PHE 101 N 0.49 0.00 -2.13 1.61 3.01 0.23 -4.91 117.46 115.75 3i8g n PHE 101 Ca -0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 3i8g n PHE 101 Cb 0.42 0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.88 3i8g n PHE 101 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3i8g n LEU 102 N -2.36 3.51 -3.73 4.37 0.00 -1.21 -4.84 117.00 112.74 3i8g n LEU 102 Ca 0.00 -3.32 -0.12 0.00 0.00 0.00 0.00 56.01 52.56 3i8g n LEU 102 Cb 0.34 -1.72 -0.10 0.00 0.00 0.00 0.00 43.42 41.94 3i8g n LEU 102 CO 0.00 -1.36 0.06 -0.89 0.00 0.00 0.00 177.39 175.20 3i8g s THR 103 N 9.44 -0.01 0.00 1.96 2.01 -1.26 -4.98 115.64 122.79 3i8g s THR 103 Ca 0.65 0.03 0.26 0.00 0.31 0.00 0.00 61.69 62.94 3i8g s THR 103 Cb 0.01 -0.57 0.28 0.00 0.01 0.00 0.00 72.50 72.24 3i8g s THR 103 CO 0.12 0.01 1.80 0.03 -0.69 0.00 0.00 174.62 175.90 3i8g h ARG 104 N 6.01 0.00 -5.51 4.92 2.47 -1.88 -3.48 114.38 116.91 3i8g h ARG 104 Ca -0.30 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.37 3i8g h ARG 104 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 3i8g h ARG 104 CO 0.27 0.15 -0.26 -3.47 0.56 0.00 0.00 179.97 177.21 3i8g n ASP 105 N -3.24 -7.52 0.19 7.04 4.64 -1.26 -4.48 116.55 111.93 3i8g n ASP 105 Ca 0.01 0.00 0.16 0.00 -1.38 0.00 0.00 54.79 53.58 3i8g n ASP 105 Cb 0.44 -4.90 0.63 0.00 -1.04 0.00 0.00 41.12 36.24 3i8g n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i8g h ALA 106 N 0.97 1.87 -1.42 -1.67 0.00 -1.97 -3.41 119.26 113.65 3i8g h ALA 106 Ca -0.07 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 54.09 3i8g h ALA 106 Cb 1.05 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3i8g h ALA 106 CO 0.28 -0.70 0.97 0.54 0.00 0.00 0.00 179.25 180.33 3i8g n ARG 107 N -3.13 1.06 -3.21 0.00 1.74 -1.26 -4.92 116.66 106.95 3i8g n ARG 107 Ca 0.04 0.38 -0.10 0.00 -0.77 0.00 0.00 57.85 57.40 3i8g n ARG 107 Cb 0.69 -2.10 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 3i8g n ARG 107 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i8g n VAL 108 N 4.93 0.00 -2.37 1.55 0.24 -1.26 -4.50 118.33 116.92 3i8g n VAL 108 Ca 0.29 -1.28 -0.42 0.00 -2.04 0.00 0.00 64.34 60.89 3i8g n VAL 108 Cb 0.12 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 3i8g n VAL 108 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i8g s VAL 109 N -2.74 3.96 0.22 3.34 1.01 -1.26 -5.01 120.40 119.92 3i8g s VAL 109 Ca 0.21 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 3i8g s VAL 109 Cb 0.00 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 3i8g s VAL 109 CO 0.15 0.06 0.61 -1.83 0.00 0.00 0.00 175.10 174.09 3i8g s GLU 110 N 1.57 3.95 0.89 2.72 -1.05 -1.26 -5.03 118.70 120.49 3i8g s GLU 110 Ca 0.60 0.50 -0.16 0.00 -0.15 0.00 0.00 54.97 55.75 3i8g s GLU 110 Cb -0.29 -2.71 -0.11 0.00 -0.44 0.00 0.00 34.13 30.58 3i8g s GLU 110 CO 0.27 0.34 -0.38 -2.13 0.95 0.00 0.00 175.26 174.31 3i8g n ARG 111 N 0.20 -0.02 -3.39 -4.83 0.63 -1.26 -4.90 116.66 103.09 3i8g n ARG 111 Ca -0.01 0.01 -0.44 0.00 -0.92 0.00 0.00 57.85 56.48 3i8g n ARG 111 Cb 0.52 -1.22 -0.06 0.00 0.45 0.00 0.00 32.46 32.15 3i8g n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i8g s LYS 112 N -2.20 2.86 0.84 -0.14 2.36 -1.26 -4.47 119.74 117.73 3i8g s LYS 112 Ca 0.48 -1.79 -0.11 0.00 -2.55 0.00 0.00 55.97 51.99 3i8g s LYS 112 Cb -0.25 -4.18 0.09 0.00 -1.05 0.00 0.00 37.83 32.44 3i8g s LYS 112 CO 0.76 -1.28 1.09 0.15 1.55 0.00 0.00 175.35 177.61 3i8g s LYS 113 N 1.40 1.74 0.79 4.03 3.01 -1.26 -4.84 119.74 124.62 3i8g s LYS 113 Ca 0.05 0.92 -0.08 0.00 -1.01 0.00 0.00 55.97 55.85 3i8g s LYS 113 Cb -0.27 -1.86 0.12 0.00 -1.01 0.00 0.00 37.83 34.81 3i8g s LYS 113 CO 0.01 -1.93 1.10 1.52 0.51 0.00 0.00 175.35 176.56 3i8g s TYR 114 N -2.95 2.17 -1.50 3.18 -0.00 -1.26 -4.17 117.35 112.81 3i8g s TYR 114 Ca 0.62 0.21 -0.05 0.00 -0.00 0.00 0.00 57.07 57.86 3i8g s TYR 114 Cb -0.17 -3.42 0.02 0.00 -0.00 0.00 0.00 41.96 38.39 3i8g s TYR 114 CO 0.56 -1.86 0.47 0.41 -0.00 0.00 0.00 175.55 175.14 3i8g n GLY 115 N -3.15 -0.51 2.73 5.49 0.00 -1.26 -4.93 105.19 103.55 3i8g n GLY 115 Ca 0.12 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 3i8g n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8g n LYS 116 N -3.77 0.55 -0.06 1.61 4.76 -1.26 -4.75 118.16 115.24 3i8g n LYS 116 Ca -0.11 -2.31 -0.08 0.00 -2.87 0.00 0.00 58.31 52.93 3i8g n LYS 116 Cb 0.61 2.19 -0.07 0.00 -1.84 0.00 0.00 35.03 35.93 3i8g n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3i8g n HIS 117 N -0.47 0.00 -2.77 2.13 8.25 -0.69 -4.88 115.22 116.78 3i8g n HIS 117 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.42 3i8g n HIS 117 Cb 0.48 -0.54 0.01 0.00 1.12 0.00 0.00 29.99 31.06 3i8g n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i8g n LYS 118 N -2.75 0.55 0.00 -0.41 5.02 -1.22 -5.02 118.16 114.33 3i8g n LYS 118 Ca -0.23 -2.05 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 3i8g n LYS 118 Cb 0.79 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3i8g n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8g n ALA 119 N 2.86 0.00 -0.02 7.82 0.00 -1.26 -3.15 120.51 126.76 3i8g n ALA 119 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 3i8g n ALA 119 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 3i8g n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8g n ARG 120 N 0.00 0.09 -1.52 0.00 1.74 -1.26 -4.16 116.66 111.55 3i8g n ARG 120 Ca 0.00 0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 3i8g n ARG 120 Cb 0.00 -0.79 -0.13 0.00 -1.02 0.00 0.00 32.46 30.52 3i8g n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i8g n ARG 121 N -2.98 0.33 -1.71 5.56 0.00 -1.19 -4.83 116.66 111.85 3i8g n ARG 121 Ca -0.07 -0.11 -0.31 0.00 -0.00 0.00 0.00 57.85 57.35 3i8g n ARG 121 Cb 0.56 -2.18 0.04 0.00 0.00 0.00 0.00 32.46 30.88 3i8g n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i8g s ALA 122 N 8.71 2.70 1.15 5.13 0.00 -1.26 -1.71 121.76 136.49 3i8g s ALA 122 Ca 1.20 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 3i8g s ALA 122 Cb -0.75 -3.19 0.27 0.00 0.00 0.00 0.00 23.12 19.45 3i8g s ALA 122 CO 0.40 -1.09 1.04 -1.25 0.00 0.00 0.00 175.76 174.85 3i8g s PRO 123 N -4.76 -0.78 0.12 0.00 0.04 -1.26 -4.81 135.00 123.54 3i8g s PRO 123 Ca 0.60 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 3i8g s PRO 123 Cb -0.14 -1.59 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 3i8g s PRO 123 CO 0.50 -3.57 1.69 -0.65 0.04 0.00 0.00 177.00 175.00 3i8g s GLN 124 N -4.69 4.18 -0.14 4.56 -1.52 -1.26 -4.97 119.66 115.81 3i8g s GLN 124 Ca 0.68 2.44 -0.25 0.00 -1.95 0.00 0.00 55.36 56.27 3i8g s GLN 124 Cb -0.22 -3.43 -0.02 0.00 -0.22 0.00 0.00 33.01 29.12 3i8g s GLN 124 CO 0.62 -0.73 0.80 -0.47 -0.25 0.00 0.00 175.29 175.26 3i8g s TYR 125 N 2.15 3.46 -0.20 0.91 6.04 -1.26 -5.02 117.35 123.43 3i8g s TYR 125 Ca 0.75 1.26 -0.01 0.00 0.04 0.00 0.00 57.07 59.11 3i8g s TYR 125 Cb -0.43 -2.96 0.05 0.00 -1.04 0.00 0.00 41.96 37.58 3i8g s TYR 125 CO 0.33 -0.15 -0.03 -1.12 -1.54 0.00 0.00 175.55 173.04 3i8g s SER 126 N 1.08 3.28 -0.87 4.32 0.01 -1.26 -5.08 113.70 115.18 3i8g s SER 126 Ca 0.38 -0.92 -0.08 0.00 1.31 0.00 0.00 55.95 56.65 3i8g s SER 126 Cb -0.17 -0.94 0.22 0.00 0.21 0.00 0.00 66.02 65.34 3i8g s SER 126 CO 0.14 -0.24 0.78 -1.59 0.41 0.00 0.00 173.24 172.75 3i8g s LYS 127 N 1.59 3.44 0.00 12.44 -2.85 -1.26 -5.32 119.74 127.78 3i8g s LYS 127 Ca -0.02 -2.85 0.00 0.00 -1.00 0.00 0.00 55.97 52.10 3i8g s LYS 127 Cb -0.17 -4.19 0.00 0.00 -2.06 0.00 0.00 37.83 31.40 3i8g s LYS 127 CO -0.07 -1.25 0.00 0.54 0.10 0.00 0.00 175.35 174.67