#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2u s LEU 6 N 0.00 2.06 0.23 -1.96 1.43 -1.26 -5.04 118.68 114.14 1h2u s LEU 6 Ca 0.00 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1h2u s LEU 6 Cb 0.00 -1.34 0.21 0.00 0.03 0.00 0.00 46.19 45.09 1h2u s LEU 6 CO 0.00 0.28 1.88 0.50 0.23 0.00 0.00 176.35 179.24 1h2u h LYS 7 N 5.76 1.21 -0.69 1.70 3.64 -2.06 -2.74 116.57 123.38 1h2u h LYS 7 Ca -0.38 -0.11 0.10 0.00 -1.27 0.00 0.00 60.65 58.99 1h2u h LYS 7 Cb 1.15 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 1h2u h LYS 7 CO 0.47 0.84 0.46 0.00 -2.27 0.00 0.00 179.45 178.95 1h2u h ALA 8 N 1.29 1.90 -0.01 5.00 0.00 -2.01 -0.99 119.26 124.44 1h2u h ALA 8 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1h2u h ALA 8 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1h2u h ALA 8 CO -0.06 -0.05 -0.07 1.28 0.00 0.00 0.00 179.25 180.35 1h2u n LEU 9 N -4.49 0.70 -0.30 0.00 4.77 -1.04 -3.34 117.00 113.31 1h2u n LEU 9 Ca 0.11 -0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1h2u n LEU 9 Cb 0.35 -0.09 0.26 0.00 -2.33 0.00 0.00 43.42 41.62 1h2u n LEU 9 CO 0.33 0.12 0.54 0.54 -1.33 0.00 0.00 177.39 177.60 1h2u n ARG 10 N -0.62 0.89 -1.67 3.23 1.74 -0.38 -4.93 116.66 114.91 1h2u n ARG 10 Ca 0.18 -0.60 -0.52 0.00 -0.77 0.00 0.00 57.85 56.14 1h2u n ARG 10 Cb 0.27 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1h2u n ARG 10 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1h2u n SER 11 N -0.54 2.56 -2.83 0.55 2.88 -1.21 -4.87 113.62 110.17 1h2u n SER 11 Ca 0.11 1.06 -0.11 0.00 -1.33 0.00 0.00 58.87 58.60 1h2u n SER 11 Cb 0.38 -1.25 0.03 0.00 -0.75 0.00 0.00 64.21 62.62 1h2u n SER 11 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h2u n ASP 12 N 4.69 0.41 -0.29 -3.46 -0.08 -1.26 -4.99 116.55 111.58 1h2u n ASP 12 Ca 0.22 -2.85 0.21 0.00 -1.51 0.00 0.00 54.79 50.86 1h2u n ASP 12 Cb 0.21 -0.09 0.51 0.00 2.34 0.00 0.00 41.12 44.08 1h2u n ASP 12 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1h2u h SER 13 N 2.85 0.42 0.71 1.67 4.64 -1.99 -0.84 113.55 121.01 1h2u h SER 13 Ca -0.07 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1h2u h SER 13 Cb 1.13 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1h2u h SER 13 CO 0.38 0.13 0.00 1.88 -0.87 0.00 0.00 176.83 178.35 1h2u h TYR 14 N 0.40 0.00 -0.02 4.77 -1.99 -1.94 -2.55 116.97 115.63 1h2u h TYR 14 Ca 0.53 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.26 1h2u h TYR 14 Cb 1.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1h2u h TYR 14 CO -0.00 0.00 -0.14 0.28 -0.00 0.00 0.00 178.16 178.30 1h2u n VAL 15 N -2.68 0.00 -1.64 -2.88 0.31 -0.32 -4.58 118.33 106.54 1h2u n VAL 15 Ca 0.01 -0.38 -0.32 0.00 -0.01 0.00 0.00 64.34 63.63 1h2u n VAL 15 Cb 0.23 1.23 0.06 0.00 -0.91 0.00 0.00 33.84 34.44 1h2u n VAL 15 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1h2u s GLU 16 N -2.15 2.70 0.50 5.55 2.02 -0.96 -5.00 118.70 121.36 1h2u s GLU 16 Ca 0.27 1.30 -0.20 0.00 0.02 0.00 0.00 54.97 56.35 1h2u s GLU 16 Cb 0.20 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.41 1h2u s GLU 16 CO 0.39 -1.31 1.09 -0.51 0.02 0.00 0.00 175.26 174.93 1h2u s LEU 17 N -5.14 3.84 0.00 1.80 1.43 -1.26 -4.92 118.68 114.44 1h2u s LEU 17 Ca 0.65 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1h2u s LEU 17 Cb -0.19 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.52 1h2u s LEU 17 CO 0.45 -0.95 0.00 -1.54 0.23 0.00 0.00 176.35 174.55 1h2u n SER 18 N -0.99 0.00 -0.63 2.29 3.41 -1.26 -5.00 113.62 111.44 1h2u n SER 18 Ca 0.10 -0.72 0.13 0.00 -0.26 0.00 0.00 58.87 58.11 1h2u n SER 18 Cb 0.51 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.71 1h2u n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h2u n GLN 19 N -0.72 1.71 -2.38 4.33 1.13 -1.26 -4.94 117.38 115.25 1h2u n GLN 19 Ca 0.00 -1.26 -0.40 0.00 -1.94 0.00 0.00 57.00 53.40 1h2u n GLN 19 Cb 0.00 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.84 1h2u n GLN 19 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1h2u s TYR 20 N -2.16 3.40 -0.07 1.08 5.04 -1.26 -5.04 117.35 118.33 1h2u s TYR 20 Ca 0.29 1.62 -0.03 0.00 -2.44 0.00 0.00 57.07 56.51 1h2u s TYR 20 Cb 0.20 -3.38 0.04 0.00 0.35 0.00 0.00 41.96 39.17 1h2u s TYR 20 CO 0.39 -0.92 0.16 1.03 -1.34 0.00 0.00 175.55 174.87 1h2u s ARG 21 N -1.65 0.09 -0.21 4.97 1.81 -1.26 -5.10 118.95 117.59 1h2u s ARG 21 Ca 0.47 0.43 -0.29 0.00 -1.72 0.00 0.00 55.73 54.63 1h2u s ARG 21 Cb -0.33 -0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 33.93 1h2u s ARG 21 CO 0.43 -0.20 2.00 0.34 -0.68 0.00 0.00 175.30 177.19 1h2u s ASP 22 N 1.45 5.82 0.60 0.23 -1.08 -1.26 -4.85 116.67 117.59 1h2u s ASP 22 Ca -0.06 1.82 0.39 0.00 -0.52 0.00 0.00 52.55 54.17 1h2u s ASP 22 Cb -0.12 -2.52 1.85 0.00 -1.46 0.00 0.00 42.92 40.68 1h2u s ASP 22 CO -0.06 -1.68 2.16 1.56 0.52 0.00 0.00 175.17 177.67 1h2u h GLN 23 N 13.32 0.00 -0.01 4.34 7.50 -2.02 -2.54 115.11 135.70 1h2u h GLN 23 Ca -0.39 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.76 1h2u h GLN 23 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.74 1h2u h GLN 23 CO 0.98 0.00 -0.11 0.72 -1.50 0.00 0.00 178.83 178.92 1h2u n HIS 24 N -3.07 0.00 -1.79 2.96 8.25 -1.26 -4.92 115.22 115.40 1h2u n HIS 24 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1h2u n HIS 24 Cb 0.20 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 1h2u n HIS 24 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1h2u s PHE 25 N -2.19 2.87 -1.30 4.41 5.36 -0.96 -4.90 117.98 121.27 1h2u s PHE 25 Ca 0.32 0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 56.54 1h2u s PHE 25 Cb 0.20 -4.08 0.12 0.00 -0.34 0.00 0.00 43.02 38.93 1h2u s PHE 25 CO 0.40 -4.11 1.80 0.54 -1.46 0.00 0.00 175.22 172.40 1h2u n ARG 26 N 4.19 3.32 0.00 10.12 5.12 -1.26 -4.86 116.66 133.29 1h2u n ARG 26 Ca 0.16 -3.38 0.00 0.00 -1.93 0.00 0.00 57.85 52.69 1h2u n ARG 26 Cb 0.36 -3.14 0.00 0.00 -1.16 0.00 0.00 32.46 28.53 1h2u n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h2u n GLY 27 N 3.90 0.28 3.91 -0.13 0.00 -1.26 -5.10 105.19 106.79 1h2u n GLY 27 Ca 0.43 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1h2u n GLY 27 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h2u s ASP 28 N 0.00 5.16 0.36 1.61 1.47 -1.26 -4.88 116.67 119.12 1h2u s ASP 28 Ca 0.00 0.78 0.12 0.00 1.18 0.00 0.00 52.55 54.64 1h2u s ASP 28 Cb 0.00 -1.54 0.94 0.00 -0.34 0.00 0.00 42.92 41.97 1h2u s ASP 28 CO 0.00 -1.43 1.78 -1.13 0.68 0.00 0.00 175.17 175.08 1h2u h ASN 29 N -0.58 0.60 -0.46 2.11 -0.73 -1.99 -0.55 115.58 113.97 1h2u h ASN 29 Ca -0.45 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 57.77 1h2u h ASN 29 Cb 1.28 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.83 1h2u h ASN 29 CO 0.62 0.18 0.19 -0.08 -0.37 0.00 0.00 177.43 177.97 1h2u h GLU 30 N 0.56 0.75 -0.18 6.67 4.81 -1.99 -0.22 114.58 124.98 1h2u h GLU 30 Ca 0.57 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.54 1h2u h GLU 30 Cb 1.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1h2u h GLU 30 CO -0.33 0.63 -0.46 1.49 -0.73 0.00 0.00 179.01 179.61 1h2u h GLU 31 N 0.74 0.64 -0.64 1.92 4.81 -1.47 -1.42 114.58 119.16 1h2u h GLU 31 Ca 0.17 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1h2u h GLU 31 Cb 0.18 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1h2u h GLU 31 CO -0.01 1.06 0.11 0.37 -0.73 0.00 0.00 179.01 179.80 1h2u h GLN 32 N 0.32 1.05 -0.43 1.92 4.15 -1.25 -1.97 115.11 118.91 1h2u h GLN 32 Ca -0.01 -0.28 -0.07 0.00 0.77 0.00 0.00 58.65 59.06 1h2u h GLN 32 Cb 1.07 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1h2u h GLN 32 CO 0.10 0.98 -0.02 0.93 -1.93 0.00 0.00 178.83 178.89 1h2u h GLU 33 N 0.97 0.71 -0.76 1.69 5.08 -1.02 -0.27 114.58 120.98 1h2u h GLU 33 Ca 0.19 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1h2u h GLU 33 Cb 0.43 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1h2u h GLU 33 CO 0.01 0.74 0.48 -0.22 -1.00 0.00 0.00 179.01 179.02 1h2u h LYS 34 N 0.66 0.91 -0.08 2.33 1.63 -0.69 -2.20 116.57 119.13 1h2u h LYS 34 Ca 0.13 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1h2u h LYS 34 Cb 0.44 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1h2u h LYS 34 CO 0.02 0.60 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.36 1h2u h LEU 35 N 0.94 0.32 -1.25 5.20 3.38 -0.81 -3.24 115.31 119.84 1h2u h LEU 35 Ca 0.30 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 57.88 1h2u h LEU 35 Cb 0.00 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 1h2u h LEU 35 CO -0.11 0.84 0.61 -0.07 0.09 0.00 0.00 178.44 179.80 1h2u h LEU 36 N -0.19 0.62 0.00 1.67 3.38 -0.83 -0.81 115.31 119.15 1h2u h LEU 36 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1h2u h LEU 36 Cb 0.80 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1h2u h LEU 36 CO 0.04 0.25 0.00 0.29 0.09 0.00 0.00 178.44 179.11 1h2u n LYS 37 N -4.62 0.40 0.00 1.13 5.02 -0.85 -3.29 118.16 115.95 1h2u n LYS 37 Ca 0.21 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1h2u n LYS 37 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1h2u n LYS 37 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h2u n LYS 38 N -1.25 5.13 -1.33 1.97 4.01 -0.63 -5.09 118.16 120.96 1h2u n LYS 38 Ca 0.13 -0.02 -0.36 0.00 -0.51 0.00 0.00 58.31 57.54 1h2u n LYS 38 Cb 0.19 -0.42 0.08 0.00 -0.51 0.00 0.00 35.03 34.37 1h2u n LYS 38 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1h2u n SER 39 N -0.74 0.10 -0.00 4.39 2.88 -0.40 -4.88 113.62 114.96 1h2u n SER 39 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1h2u n SER 39 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 1h2u n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h2u s THR 41 N -0.94 3.48 0.12 0.00 2.01 -1.26 -1.05 115.64 117.99 1h2u s THR 41 Ca 0.01 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1h2u s THR 41 Cb 0.01 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1h2u s THR 41 CO 0.00 0.53 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.56 1h2u s LEU 42 N 0.08 2.84 -0.16 4.42 1.43 -0.16 -1.27 118.68 125.86 1h2u s LEU 42 Ca -0.03 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1h2u s LEU 42 Cb -0.14 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1h2u s LEU 42 CO 0.04 0.17 0.10 -0.47 0.23 0.00 0.00 176.35 176.42 1h2u s TYR 43 N -1.21 3.39 -0.17 0.29 5.04 0.98 -1.00 117.35 124.67 1h2u s TYR 43 Ca 0.20 0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1h2u s TYR 43 Cb -0.11 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1h2u s TYR 43 CO 0.12 0.41 -0.15 0.08 -1.34 0.00 0.00 175.55 174.67 1h2u s VAL 44 N -0.21 2.67 0.36 3.14 1.01 -0.00 -0.97 120.40 126.39 1h2u s VAL 44 Ca 0.09 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1h2u s VAL 44 Cb -0.12 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1h2u s VAL 44 CO 0.01 0.51 0.00 -0.83 0.00 0.00 0.00 175.10 174.79 1h2u s GLY 45 N 0.95 2.18 -1.00 4.51 0.00 0.23 -2.36 107.32 111.83 1h2u s GLY 45 Ca -0.03 -2.05 -0.01 0.00 0.00 0.00 0.00 44.72 42.63 1h2u s GLY 45 CO -0.02 -1.96 0.15 -2.01 0.00 0.00 0.00 173.10 169.25 1h2u n ASN 46 N -0.94 -4.05 -4.84 1.64 5.15 -1.21 -1.46 115.26 109.54 1h2u n ASN 46 Ca -0.04 -0.08 -0.32 0.00 -0.60 0.00 0.00 54.58 53.55 1h2u n ASN 46 Cb 0.63 -3.13 0.00 0.00 -0.53 0.00 0.00 39.78 36.76 1h2u n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1h2u s LEU 47 N -3.79 3.39 0.48 1.20 1.43 -0.96 -4.71 118.68 115.71 1h2u s LEU 47 Ca 0.07 1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 1h2u s LEU 47 Cb -0.03 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 1h2u s LEU 47 CO 0.09 -0.91 0.98 -0.55 0.23 0.00 0.00 176.35 176.18 1h2u s SER 48 N -3.51 6.69 0.00 2.29 0.15 -1.26 -4.44 113.70 113.62 1h2u s SER 48 Ca 0.58 1.66 0.16 0.00 0.70 0.00 0.00 55.95 59.05 1h2u s SER 48 Cb -0.12 -2.53 0.71 0.00 -1.71 0.00 0.00 66.02 62.38 1h2u s SER 48 CO 0.44 -0.53 1.51 0.49 1.20 0.00 0.00 173.24 176.34 1h2u n PHE 49 N -1.15 0.00 0.94 3.44 0.99 0.62 -2.36 117.46 119.94 1h2u n PHE 49 Ca 0.07 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.62 1h2u n PHE 49 Cb 0.54 -0.46 -0.03 0.00 -1.00 0.00 0.00 39.48 38.53 1h2u n PHE 49 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1h2u n TYR 50 N -1.46 0.00 -2.26 1.38 0.53 -1.26 -4.77 117.16 109.32 1h2u n TYR 50 Ca 0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.51 1h2u n TYR 50 Cb 0.18 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.46 1h2u n TYR 50 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1h2u s THR 51 N -2.48 3.57 0.29 -0.72 2.01 -0.99 -5.01 115.64 112.31 1h2u s THR 51 Ca 0.15 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.30 1h2u s THR 51 Cb 0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1h2u s THR 51 CO 0.61 0.09 0.46 0.42 -0.69 0.00 0.00 174.62 175.50 1h2u s THR 52 N 1.08 5.18 0.37 -0.82 -4.23 -1.26 -4.95 115.64 111.01 1h2u s THR 52 Ca 0.62 -0.69 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 1h2u s THR 52 Cb -0.34 -3.85 0.31 0.00 1.34 0.00 0.00 72.50 69.95 1h2u s THR 52 CO 0.30 -0.44 1.94 -0.08 -0.54 0.00 0.00 174.62 175.79 1h2u h GLU 53 N 1.00 0.67 -0.53 3.99 4.81 -1.99 -1.79 114.58 120.74 1h2u h GLU 53 Ca -0.51 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1h2u h GLU 53 Cb 1.22 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1h2u h GLU 53 CO 0.62 0.44 0.31 0.93 -0.73 0.00 0.00 179.01 180.57 1h2u h GLU 54 N 0.69 0.73 -0.51 1.92 3.07 -1.99 -0.94 114.58 117.55 1h2u h GLU 54 Ca 0.35 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 1h2u h GLU 54 Cb 0.44 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1h2u h GLU 54 CO -0.13 0.54 0.10 1.96 -1.40 0.00 0.00 179.01 180.08 1h2u h GLN 55 N 0.71 0.83 -0.24 2.33 4.20 -1.74 -1.38 115.11 119.81 1h2u h GLN 55 Ca 0.19 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1h2u h GLN 55 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1h2u h GLN 55 CO -0.03 0.81 -0.01 0.82 -0.67 0.00 0.00 178.83 179.75 1h2u h ILE 56 N 0.71 1.16 -0.29 2.54 2.04 -1.15 -1.50 117.51 121.02 1h2u h ILE 56 Ca 0.16 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1h2u h ILE 56 Cb 0.38 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1h2u h ILE 56 CO 0.01 0.21 -0.02 1.88 0.00 0.00 0.00 178.15 180.23 1h2u h TYR 57 N 0.35 0.58 -0.18 1.37 0.05 -0.73 -0.71 116.97 117.71 1h2u h TYR 57 Ca 0.08 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1h2u h TYR 57 Cb 0.26 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1h2u h TYR 57 CO 0.01 0.68 0.11 1.49 -1.05 0.00 0.00 178.16 179.39 1h2u h GLU 58 N 0.31 0.24 0.19 4.88 4.57 -0.66 -1.52 114.58 122.59 1h2u h GLU 58 Ca 0.08 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1h2u h GLU 58 Cb 0.46 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1h2u h GLU 58 CO 0.02 0.20 -0.09 1.25 -1.18 0.00 0.00 179.01 179.21 1h2u h LEU 59 N 0.21 -0.22 -1.00 1.64 5.85 -1.27 -3.29 115.31 117.22 1h2u h LEU 59 Ca 0.06 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1h2u h LEU 59 Cb 0.03 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1h2u h LEU 59 CO -0.01 0.22 0.00 -0.26 -0.34 0.00 0.00 178.44 178.05 1h2u h PHE 60 N -0.72 0.00 0.00 1.25 -1.00 -1.18 -2.63 116.94 112.66 1h2u h PHE 60 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1h2u h PHE 60 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1h2u h PHE 60 CO 0.06 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.19 1h2u n SER 61 N -2.66 0.51 0.08 2.17 7.64 -0.57 -2.52 113.62 118.27 1h2u n SER 61 Ca 0.02 0.62 0.09 0.00 1.01 0.00 0.00 58.87 60.61 1h2u n SER 61 Cb 0.28 -0.73 0.41 0.00 -1.01 0.00 0.00 64.21 63.16 1h2u n SER 61 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1h2u n LYS 62 N -2.06 0.11 0.00 1.43 5.02 -0.99 -2.28 118.16 119.39 1h2u n LYS 62 Ca 0.03 0.41 0.07 0.00 -2.02 0.00 0.00 58.31 56.79 1h2u n LYS 62 Cb 0.23 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1h2u n LYS 62 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1h2u n SER 63 N -1.96 0.71 0.00 4.39 3.41 -1.05 -5.06 113.62 114.06 1h2u n SER 63 Ca 0.02 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1h2u n SER 63 Cb 0.17 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1h2u n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h2u n GLY 64 N 1.33 1.25 3.71 5.00 0.00 -0.96 -4.54 105.19 110.99 1h2u n GLY 64 Ca 0.03 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1h2u n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h2u s ASP 65 N 0.00 6.85 -0.06 1.61 1.11 -1.26 -4.31 116.67 120.61 1h2u s ASP 65 Ca 0.00 2.28 -0.20 0.00 0.18 0.00 0.00 52.55 54.81 1h2u s ASP 65 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1h2u s ASP 65 CO 0.00 -0.64 0.57 -0.63 1.18 0.00 0.00 175.17 175.65 1h2u s ILE 66 N 1.19 5.06 -0.11 0.77 1.01 -1.26 -3.40 121.20 124.46 1h2u s ILE 66 Ca 0.64 1.18 -0.10 0.00 0.00 0.00 0.00 60.65 62.37 1h2u s ILE 66 Cb -0.36 -3.91 -0.27 0.00 0.01 0.00 0.00 42.46 37.93 1h2u s ILE 66 CO 0.30 0.34 0.45 0.50 0.00 0.00 0.00 174.94 176.53 1h2u h LYS 67 N 6.32 0.28 -1.96 2.79 3.64 -0.80 -3.48 116.57 123.37 1h2u h LYS 67 Ca -0.43 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.44 1h2u h LYS 67 Cb 1.19 0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 32.98 1h2u h LYS 67 CO 0.73 1.23 0.19 0.21 -2.27 0.00 0.00 179.45 179.54 1h2u s LYS 68 N -2.54 0.90 -0.13 1.90 2.20 -1.06 -5.01 119.74 116.00 1h2u s LYS 68 Ca -0.21 0.65 0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1h2u s LYS 68 Cb 0.06 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.82 1h2u s LYS 68 CO 0.78 -0.19 -0.18 0.42 -0.36 0.00 0.00 175.35 175.81 1h2u s ILE 69 N -0.30 1.76 -0.24 5.43 -1.09 -1.26 -0.80 121.20 124.69 1h2u s ILE 69 Ca -0.04 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1h2u s ILE 69 Cb -0.03 -1.59 0.02 0.00 -1.58 0.00 0.00 42.46 39.29 1h2u s ILE 69 CO 0.04 0.49 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.55 1h2u s ILE 70 N 0.96 2.89 0.21 2.92 1.01 -0.34 -4.97 121.20 123.88 1h2u s ILE 70 Ca -0.06 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 1h2u s ILE 70 Cb -0.15 -2.44 -0.08 0.00 0.01 0.00 0.00 42.46 39.80 1h2u s ILE 70 CO -0.03 0.24 1.07 -0.04 0.00 0.00 0.00 174.94 176.18 1h2u s MET 71 N 1.34 4.65 -0.01 2.79 -1.94 -1.26 -1.01 119.30 123.85 1h2u s MET 71 Ca 0.01 1.70 -0.30 0.00 -1.71 0.00 0.00 55.69 55.39 1h2u s MET 71 Cb -0.16 -3.26 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 1h2u s MET 71 CO -0.05 0.18 1.03 0.20 -0.01 0.00 0.00 175.02 176.37 1h2u s GLY 72 N -0.47 2.69 0.20 -0.03 0.00 0.22 -4.87 107.32 105.05 1h2u s GLY 72 Ca 0.47 0.56 0.10 0.00 0.00 0.00 0.00 44.72 45.85 1h2u s GLY 72 CO 0.36 1.81 -0.21 1.08 0.00 0.00 0.00 173.10 176.15 1h2u s LEU 73 N 1.27 2.47 0.08 0.66 1.43 0.20 -1.14 118.68 123.65 1h2u s LEU 73 Ca 0.53 -0.90 -0.31 0.00 -1.03 0.00 0.00 54.13 52.42 1h2u s LEU 73 Cb -0.22 -1.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 1h2u s LEU 73 CO 0.26 0.03 1.49 -0.62 0.23 0.00 0.00 176.35 177.74 1h2u s ASP 74 N -2.83 6.74 0.62 2.29 2.15 0.59 -1.44 116.67 124.80 1h2u s ASP 74 Ca 0.20 2.35 0.41 0.00 0.43 0.00 0.00 52.55 55.94 1h2u s ASP 74 Cb -0.06 -2.57 2.20 0.00 -0.30 0.00 0.00 42.92 42.19 1h2u s ASP 74 CO 0.09 -0.76 2.26 0.50 -0.17 0.00 0.00 175.17 177.10 1h2u h LYS 75 N 7.51 0.00 0.00 4.34 3.64 -1.09 0.90 116.57 131.88 1h2u h LYS 75 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1h2u h LYS 75 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1h2u h LYS 75 CO 0.90 0.00 -0.67 -1.33 -2.27 0.00 0.00 179.45 176.08 1h2u n MET 76 N -2.99 0.36 0.13 1.90 2.81 -1.26 -4.65 117.12 113.41 1h2u n MET 76 Ca -0.02 0.14 0.13 0.00 -1.81 0.00 0.00 57.70 56.13 1h2u n MET 76 Cb 0.09 -1.12 0.46 0.00 -0.71 0.00 0.00 33.22 31.94 1h2u n MET 76 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1h2u h LYS 77 N -0.67 0.00 -1.83 0.03 1.57 -1.92 -3.47 116.57 110.28 1h2u h LYS 77 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1h2u h LYS 77 Cb 0.67 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1h2u h LYS 77 CO 0.00 0.00 -0.42 1.63 -0.57 0.00 0.00 179.45 180.09 1h2u n LYS 78 N -2.32 -1.41 -4.08 3.15 4.76 0.31 -4.94 118.16 113.64 1h2u n LYS 78 Ca 0.03 1.04 -0.27 0.00 -2.87 0.00 0.00 58.31 56.24 1h2u n LYS 78 Cb 0.31 -5.47 -0.06 0.00 -1.84 0.00 0.00 35.03 27.98 1h2u n LYS 78 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1h2u s THR 79 N -2.83 4.48 -0.03 -0.18 -4.23 -1.26 -4.68 115.64 106.91 1h2u s THR 79 Ca 0.00 -1.03 -0.37 0.00 -1.18 0.00 0.00 61.69 59.11 1h2u s THR 79 Cb 0.00 -3.26 -0.15 0.00 1.34 0.00 0.00 72.50 70.42 1h2u s THR 79 CO 0.00 -0.06 1.55 0.00 -0.54 0.00 0.00 174.62 175.57 1h2u n ALA 80 N -0.18 -0.24 -1.84 3.99 0.00 -1.26 -0.30 120.51 120.69 1h2u n ALA 80 Ca -0.08 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 1h2u n ALA 80 Cb 0.54 -2.20 0.13 0.00 0.00 0.00 0.00 19.45 17.92 1h2u n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h2u n GLY 82 N -0.87 0.85 3.70 0.00 0.00 -1.26 -4.45 105.19 103.16 1h2u n GLY 82 Ca 0.27 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1h2u n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h2u s PHE 83 N -2.00 -0.24 0.29 1.61 -0.12 -1.26 -2.27 117.98 113.99 1h2u s PHE 83 Ca 0.00 -0.08 -0.20 0.00 -0.05 0.00 0.00 56.93 56.60 1h2u s PHE 83 Cb 0.00 0.64 0.04 0.00 -0.63 0.00 0.00 43.02 43.07 1h2u s PHE 83 CO 0.00 -0.92 0.82 0.00 -0.05 0.00 0.00 175.22 175.07 1h2u s PHE 85 N -3.09 2.31 -0.20 0.00 0.40 -0.18 -0.82 117.98 116.40 1h2u s PHE 85 Ca 0.14 -0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1h2u s PHE 85 Cb -0.05 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1h2u s PHE 85 CO 0.08 -0.26 -0.15 0.08 0.70 0.00 0.00 175.22 175.66 1h2u s VAL 86 N 0.02 2.41 -0.22 -0.44 1.01 -0.17 -1.20 120.40 121.80 1h2u s VAL 86 Ca -0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1h2u s VAL 86 Cb -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1h2u s VAL 86 CO 0.05 0.47 0.06 -0.70 0.00 0.00 0.00 175.10 174.98 1h2u s GLU 87 N 1.33 3.78 0.42 2.72 2.12 0.02 -0.99 118.70 128.09 1h2u s GLU 87 Ca 0.04 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.00 1h2u s GLU 87 Cb -0.14 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1h2u s GLU 87 CO -0.10 0.00 0.58 0.71 -0.54 0.00 0.00 175.26 175.92 1h2u s TYR 88 N 1.10 2.95 0.04 5.30 2.02 -0.22 -0.12 117.35 128.42 1h2u s TYR 88 Ca 0.04 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 1h2u s TYR 88 Cb -0.14 -2.32 -0.24 0.00 -0.40 0.00 0.00 41.96 38.86 1h2u s TYR 88 CO 0.03 -0.37 0.98 1.88 -1.57 0.00 0.00 175.55 176.51 1h2u h TYR 89 N 0.60 0.16 -4.12 2.71 0.05 -1.86 -3.44 116.97 111.07 1h2u h TYR 89 Ca -0.43 -0.11 -0.49 0.00 0.05 0.00 0.00 58.73 57.75 1h2u h TYR 89 Cb 1.27 -0.01 -0.26 0.00 1.01 0.00 0.00 36.73 38.75 1h2u h TYR 89 CO 0.41 1.13 -0.81 -1.54 -1.05 0.00 0.00 178.16 176.30 1h2u s SER 90 N -6.64 1.84 0.30 3.88 1.04 -1.26 -5.03 113.70 107.82 1h2u s SER 90 Ca -0.04 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.02 1h2u s SER 90 Cb 0.08 -0.15 0.69 0.00 0.10 0.00 0.00 66.02 66.74 1h2u s SER 90 CO 0.83 0.10 1.79 -0.09 0.98 0.00 0.00 173.24 176.85 1h2u h ARG 91 N 5.15 0.80 -0.79 4.02 9.65 -1.90 -1.89 114.38 129.43 1h2u h ARG 91 Ca -0.38 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.50 1h2u h ARG 91 Cb 1.17 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.52 1h2u h ARG 91 CO 0.45 0.53 0.49 0.00 2.80 0.00 0.00 179.97 184.25 1h2u h ALA 92 N 1.62 1.06 -0.57 2.80 0.00 -1.96 -0.33 119.26 121.88 1h2u h ALA 92 Ca 0.56 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.36 1h2u h ALA 92 Cb 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1h2u h ALA 92 CO -0.35 0.26 -0.02 -0.44 0.00 0.00 0.00 179.25 178.70 1h2u h ASP 93 N 0.93 1.01 -0.85 0.00 3.32 -1.58 -1.84 116.42 117.41 1h2u h ASP 93 Ca 0.33 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1h2u h ASP 93 Cb 0.09 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1h2u h ASP 93 CO -0.14 1.08 0.42 0.00 -1.72 0.00 0.00 179.24 178.88 1h2u h ALA 94 N 0.96 1.10 -0.73 3.45 0.00 -1.29 -2.40 119.26 120.35 1h2u h ALA 94 Ca 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h2u h ALA 94 Cb 0.57 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1h2u h ALA 94 CO 0.03 0.65 0.45 0.93 0.00 0.00 0.00 179.25 181.31 1h2u h GLU 95 N 1.21 0.99 0.00 0.00 5.08 -0.65 -1.73 114.58 119.47 1h2u h GLU 95 Ca 0.29 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1h2u h GLU 95 Cb 0.10 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1h2u h GLU 95 CO -0.04 0.69 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.46 1h2u h ASN 96 N 0.99 0.00 -0.27 1.42 2.35 -0.99 -1.40 115.58 117.68 1h2u h ASN 96 Ca 0.26 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.83 1h2u h ASN 96 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1h2u h ASN 96 CO -0.05 0.30 -0.55 0.00 -1.65 0.00 0.00 177.43 175.48 1h2u h ALA 97 N 1.70 0.43 0.00 -0.83 0.00 -0.92 0.13 119.26 119.78 1h2u h ALA 97 Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1h2u h ALA 97 Cb 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1h2u h ALA 97 CO 0.04 0.65 -0.19 0.52 0.00 0.00 0.00 179.25 180.27 1h2u h MET 98 N 0.63 0.00 0.18 0.00 2.86 -0.90 0.23 114.93 117.93 1h2u h MET 98 Ca 0.01 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.33 1h2u h MET 98 Cb 1.16 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.83 1h2u h MET 98 CO 0.12 0.19 -1.54 0.00 1.06 0.00 0.00 176.91 176.74 1h2u h ARG 99 N 0.00 0.38 0.00 1.72 3.08 -0.91 -3.40 114.38 115.26 1h2u h ARG 99 Ca -0.00 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1h2u h ARG 99 Cb 0.37 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1h2u h ARG 99 CO 0.02 1.31 -0.73 0.66 -1.07 0.00 0.00 179.97 180.17 1h2u n TYR 100 N -3.75 0.00 -0.10 3.04 4.01 0.00 -4.75 117.16 115.62 1h2u n TYR 100 Ca -0.22 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.32 1h2u n TYR 100 Cb 1.02 -0.04 -0.12 0.00 -0.31 0.00 0.00 39.34 39.88 1h2u n TYR 100 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1h2u n ILE 101 N -1.38 1.56 -1.63 -0.72 5.41 -0.05 -4.82 119.36 117.73 1h2u n ILE 101 Ca -0.00 -0.58 -0.48 0.00 1.00 0.00 0.00 62.75 62.69 1h2u n ILE 101 Cb 0.06 -1.52 -0.04 0.00 -0.71 0.00 0.00 39.64 37.43 1h2u n ILE 101 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1h2u n ASN 102 N -3.35 2.30 -0.01 4.38 5.15 -0.48 -1.86 115.26 121.38 1h2u n ASN 102 Ca -0.43 1.12 -0.00 0.00 -0.60 0.00 0.00 54.58 54.67 1h2u n ASN 102 Cb 1.00 -1.32 -0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1h2u n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h2u n GLY 103 N 2.64 0.45 2.73 8.20 0.00 -0.37 -4.95 105.19 113.89 1h2u n GLY 103 Ca 0.16 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1h2u n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h2u n THR 104 N -2.99 0.00 -3.46 2.61 -2.24 -0.78 -4.81 114.28 102.61 1h2u n THR 104 Ca -0.00 -1.77 -0.34 0.00 -2.27 0.00 0.00 64.05 59.67 1h2u n THR 104 Cb 0.01 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1h2u n THR 104 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1h2u s ARG 105 N -3.41 3.84 -0.24 -0.78 0.52 -1.26 -1.64 118.95 115.99 1h2u s ARG 105 Ca 0.03 0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.51 1h2u s ARG 105 Cb -0.00 -2.86 0.12 0.00 0.52 0.00 0.00 34.95 32.73 1h2u s ARG 105 CO 0.02 0.45 0.33 -1.17 0.02 0.00 0.00 175.30 174.95 1h2u s LEU 106 N -2.25 -0.48 -1.05 2.53 2.96 -0.53 -4.82 118.68 115.04 1h2u s LEU 106 Ca 0.40 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1h2u s LEU 106 Cb -0.13 0.89 0.00 0.00 0.50 0.00 0.00 46.19 47.45 1h2u s LEU 106 CO 0.20 -0.31 0.38 -0.67 -1.32 0.00 0.00 176.35 174.63 1h2u n ASP 107 N 5.35 -4.59 0.00 3.68 2.03 -1.26 -2.53 116.55 119.24 1h2u n ASP 107 Ca -0.04 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1h2u n ASP 107 Cb 0.50 -3.47 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 1h2u n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1h2u n ASP 108 N -1.06 -0.55 -4.60 1.67 -0.08 -1.26 -4.98 116.55 105.69 1h2u n ASP 108 Ca -0.08 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.87 1h2u n ASP 108 Cb 0.58 -0.61 -0.10 0.00 2.34 0.00 0.00 41.12 43.33 1h2u n ASP 108 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1h2u s ARG 109 N -0.24 2.60 -0.42 -0.67 0.52 -1.05 -5.01 118.95 114.69 1h2u s ARG 109 Ca 0.00 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 1h2u s ARG 109 Cb 0.00 -2.53 0.02 0.00 0.52 0.00 0.00 34.95 32.96 1h2u s ARG 109 CO 0.00 0.61 1.22 0.42 0.02 0.00 0.00 175.30 177.58 1h2u s ILE 110 N -0.99 4.16 0.42 1.52 -1.09 -1.26 -1.46 121.20 122.50 1h2u s ILE 110 Ca 0.17 1.22 -0.02 0.00 -2.23 0.00 0.00 60.65 59.79 1h2u s ILE 110 Cb -0.11 -4.42 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 1h2u s ILE 110 CO 0.07 -0.80 0.66 0.27 -1.23 0.00 0.00 174.94 173.91 1h2u s ILE 111 N 4.59 4.85 -0.07 2.92 -4.36 -0.65 -4.82 121.20 123.66 1h2u s ILE 111 Ca 0.52 -0.22 0.03 0.00 -0.26 0.00 0.00 60.65 60.72 1h2u s ILE 111 Cb -0.11 -3.80 0.01 0.00 1.25 0.00 0.00 42.46 39.81 1h2u s ILE 111 CO 0.29 -0.63 -0.15 -0.60 0.24 0.00 0.00 174.94 174.09 1h2u s ARG 112 N -4.52 1.97 0.14 0.37 3.52 -0.53 -1.24 118.95 118.66 1h2u s ARG 112 Ca 0.44 -0.51 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 1h2u s ARG 112 Cb -0.10 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 1h2u s ARG 112 CO 0.40 0.06 0.02 0.95 -0.81 0.00 0.00 175.30 175.91 1h2u s THR 113 N 0.60 3.92 -0.10 4.11 -4.23 -1.26 0.77 115.64 119.45 1h2u s THR 113 Ca -0.15 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 58.95 1h2u s THR 113 Cb -0.16 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.78 1h2u s THR 113 CO 0.05 -0.03 0.45 -0.62 -0.54 0.00 0.00 174.62 173.93 1h2u s ASP 114 N -2.74 -0.42 0.55 3.99 2.15 -0.14 -4.95 116.67 115.11 1h2u s ASP 114 Ca 0.27 0.63 -0.21 0.00 0.43 0.00 0.00 52.55 53.67 1h2u s ASP 114 Cb -0.10 0.69 -0.05 0.00 -0.30 0.00 0.00 42.92 43.16 1h2u s ASP 114 CO 0.19 -0.32 1.31 0.26 -0.17 0.00 0.00 175.17 176.44 1h2u s TRP 115 N -0.47 2.35 0.00 -5.34 0.52 -1.26 -0.01 118.94 114.74 1h2u s TRP 115 Ca -0.06 1.42 0.03 0.00 0.02 0.00 0.00 56.10 57.52 1h2u s TRP 115 Cb -0.03 -3.70 -0.01 0.00 -1.15 0.00 0.00 33.47 28.58 1h2u s TRP 115 CO 0.03 -2.64 -0.10 0.34 0.02 0.00 0.00 176.95 174.60 1h2u s ASP 116 N -1.12 1.22 0.24 2.95 -1.08 -0.40 -4.68 116.67 113.80 1h2u s ASP 116 Ca 0.72 -0.23 0.19 0.00 -0.52 0.00 0.00 52.55 52.71 1h2u s ASP 116 Cb -0.37 -0.12 0.94 0.00 -1.46 0.00 0.00 42.92 41.91 1h2u s ASP 116 CO 0.44 0.10 1.59 0.00 0.52 0.00 0.00 175.17 177.82 1h2u n ALA 117 N 2.65 1.29 0.00 3.66 0.00 -1.26 -4.50 120.51 122.34 1h2u n ALA 117 Ca -0.15 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1h2u n ALA 117 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1h2u n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h2u n GLY 118 N -0.79 3.73 3.78 0.00 0.00 -1.26 -4.80 105.19 105.84 1h2u n GLY 118 Ca 0.00 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1h2u n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h2u s PHE 119 N -1.61 2.70 -0.13 1.61 5.36 -1.26 -5.06 117.98 119.59 1h2u s PHE 119 Ca 0.00 1.55 -0.24 0.00 -0.96 0.00 0.00 56.93 57.28 1h2u s PHE 119 Cb 0.00 -3.23 0.06 0.00 -0.34 0.00 0.00 43.02 39.50 1h2u s PHE 119 CO 0.00 -1.53 0.59 0.15 -1.46 0.00 0.00 175.22 172.97 1h2u s LYS 120 N -3.50 0.83 0.14 10.12 -0.14 -1.26 -5.10 119.74 120.83 1h2u s LYS 120 Ca 0.71 0.46 -0.35 0.00 -1.36 0.00 0.00 55.97 55.43 1h2u s LYS 120 Cb -0.22 0.39 -0.15 0.00 -1.68 0.00 0.00 37.83 36.17 1h2u s LYS 120 CO 0.30 -0.19 1.39 -1.91 -0.76 0.00 0.00 175.35 174.18 1h2u n GLU 121 N 1.83 1.54 0.00 1.68 0.00 -1.26 -1.66 120.64 122.78 1h2u n GLU 121 Ca -0.17 0.55 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1h2u n GLU 121 Cb 0.56 -2.21 0.00 0.00 0.00 0.00 0.00 31.44 29.79 1h2u n GLU 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1h2u n GLY 122 N 2.66 2.72 0.17 8.31 0.00 -1.26 -4.93 105.19 112.86 1h2u n GLY 122 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1h2u n GLY 122 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1h2u h ARG 123 N 2.47 0.00 0.00 1.61 2.47 -1.75 -3.17 114.38 116.01 1h2u h ARG 123 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1h2u h ARG 123 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1h2u h ARG 123 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 1h2u n GLN 124 N -2.69 0.82 -4.09 0.04 0.00 -1.26 -4.83 117.38 105.37 1h2u n GLN 124 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 57.00 56.70 1h2u n GLN 124 Cb 0.43 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 29.10 1h2u n GLN 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1h2u s TYR 125 N -2.14 3.36 0.45 2.61 1.51 -1.20 0.62 117.35 122.57 1h2u s TYR 125 Ca 0.41 0.30 -0.24 0.00 -1.01 0.00 0.00 57.07 56.53 1h2u s TYR 125 Cb 0.21 -1.81 -0.08 0.00 -0.11 0.00 0.00 41.96 40.17 1h2u s TYR 125 CO 0.37 0.59 1.29 0.20 -1.11 0.00 0.00 175.55 176.89 1h2u s GLY 126 N -1.40 2.88 -0.16 0.71 0.00 -0.52 -4.92 107.32 103.91 1h2u s GLY 126 Ca 0.19 1.20 0.16 0.00 0.00 0.00 0.00 44.72 46.27 1h2u s GLY 126 CO 0.09 1.74 1.64 0.54 0.00 0.00 0.00 173.10 177.12 1h2u n ARG 127 N -0.28 4.06 -2.50 2.90 1.74 -1.17 -4.45 116.66 116.96 1h2u n ARG 127 Ca 0.06 -2.96 -0.32 0.00 -0.77 0.00 0.00 57.85 53.86 1h2u n ARG 127 Cb 0.45 -2.01 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 1h2u n ARG 127 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1h2u s GLY 128 N -0.98 2.09 0.26 -0.13 0.00 0.40 -4.74 107.32 104.22 1h2u s GLY 128 Ca 0.51 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 45.38 1h2u s GLY 128 CO 0.19 0.43 1.72 -0.09 0.00 0.00 0.00 173.10 175.36 1h2u h ARG 129 N 1.09 0.43 0.00 2.90 2.43 -1.91 -0.70 114.38 118.62 1h2u h ARG 129 Ca -0.47 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 1h2u h ARG 129 Cb 1.18 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1h2u h ARG 129 CO 0.62 0.29 -0.15 0.77 -1.51 0.00 0.00 179.97 179.99 1h2u h SER 130 N 0.45 0.00 0.00 -3.80 0.02 -1.95 -3.47 113.55 104.80 1h2u h SER 130 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1h2u h SER 130 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1h2u h SER 130 CO -0.45 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 176.00 1h2u n GLY 131 N 0.53 1.75 0.00 -3.77 0.00 -0.27 -4.76 105.19 98.66 1h2u n GLY 131 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1h2u n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2u n GLY 132 N 0.00 0.42 3.80 -0.02 0.00 -1.26 -0.62 105.19 107.50 1h2u n GLY 132 Ca 0.00 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1h2u n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h2u s GLN 133 N 0.90 3.59 0.29 1.61 -0.21 -1.26 -0.45 119.66 124.13 1h2u s GLN 133 Ca 0.00 1.32 0.01 0.00 0.02 0.00 0.00 55.36 56.71 1h2u s GLN 133 Cb 0.00 -2.07 0.54 0.00 1.00 0.00 0.00 33.01 32.48 1h2u s GLN 133 CO 0.00 -0.60 1.86 0.28 -2.12 0.00 0.00 175.29 174.72 1h2u h VAL 134 N 1.13 0.98 -0.88 1.09 2.07 -1.93 -2.46 116.25 116.25 1h2u h VAL 134 Ca -0.49 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 66.79 1h2u h VAL 134 Cb 1.22 -0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1h2u h VAL 134 CO 0.58 0.19 0.51 0.03 0.02 0.00 0.00 177.57 178.90 1h2u h ARG 135 N 1.02 0.80 0.00 1.57 3.08 -1.99 -1.07 114.38 117.79 1h2u h ARG 135 Ca 0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1h2u h ARG 135 Cb 0.38 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1h2u h ARG 135 CO -0.22 0.53 0.00 -0.25 -1.07 0.00 0.00 179.97 178.96 1h2u n ASP 136 N -4.73 0.00 0.08 7.04 10.43 -0.93 -2.96 116.55 125.49 1h2u n ASP 136 Ca 0.16 -0.08 -0.04 0.00 2.57 0.00 0.00 54.79 57.40 1h2u n ASP 136 Cb 0.33 -0.29 -0.07 0.00 1.84 0.00 0.00 41.12 42.92 1h2u n ASP 136 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1h2u h GLU 137 N 0.00 0.00 -0.00 -1.24 4.57 -1.18 -3.13 114.58 113.59 1h2u h GLU 137 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1h2u h GLU 137 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1h2u h GLU 137 CO 0.00 0.87 -0.53 0.66 -1.18 0.00 0.00 179.01 178.83 1h2u n TYR 138 N -3.33 0.00 -1.56 0.92 4.02 -1.16 -3.50 117.16 112.54 1h2u n TYR 138 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1h2u n TYR 138 Cb 0.88 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.24 1h2u n TYR 138 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1h2u n ARG 139 N -1.05 0.77 0.00 -0.72 1.74 -1.15 -4.91 116.66 111.34 1h2u n ARG 139 Ca 0.03 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1h2u n ARG 139 Cb 0.22 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 1h2u n ARG 139 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1h2u n GLN 140 N -0.62 0.94 -3.11 5.56 6.02 -1.26 -4.16 117.38 120.75 1h2u n GLN 140 Ca 0.13 -0.86 -0.18 0.00 -0.01 0.00 0.00 57.00 56.07 1h2u n GLN 140 Cb 0.47 -0.87 0.02 0.00 1.02 0.00 0.00 30.24 30.88 1h2u n GLN 140 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1h2u s ASP 141 N -0.42 5.41 -0.32 1.08 -4.77 -1.26 -4.93 116.67 111.47 1h2u s ASP 141 Ca 0.00 -0.60 -0.08 0.00 -3.30 0.00 0.00 52.55 48.57 1h2u s ASP 141 Cb 0.00 -0.37 0.01 0.00 -1.09 0.00 0.00 42.92 41.47 1h2u s ASP 141 CO 0.00 -0.90 0.12 -0.47 0.70 0.00 0.00 175.17 174.62 1h2u s TYR 142 N -2.46 3.18 -0.40 2.11 5.04 -1.26 -3.93 117.35 119.63 1h2u s TYR 142 Ca 0.55 -0.88 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 1h2u s TYR 142 Cb -0.08 -2.32 0.12 0.00 0.35 0.00 0.00 41.96 40.04 1h2u s TYR 142 CO 0.33 -0.56 0.17 0.34 -1.34 0.00 0.00 175.55 174.49 1h2u s ASP 143 N 1.54 4.05 0.18 4.32 -1.08 0.58 -4.98 116.67 121.27 1h2u s ASP 143 Ca 0.03 -2.34 -0.16 0.00 -0.52 0.00 0.00 52.55 49.56 1h2u s ASP 143 Cb -0.18 -1.19 0.15 0.00 -1.46 0.00 0.00 42.92 40.24 1h2u s ASP 143 CO 0.04 -0.32 1.66 0.00 0.52 0.00 0.00 175.17 177.07 1h2u h ALA 144 N 7.21 0.34 0.00 3.66 0.00 -1.93 0.32 119.26 128.87 1h2u h ALA 144 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h2u h ALA 144 Cb 0.96 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1h2u h ALA 144 CO 0.52 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1h2u n GLY 145 N -1.33 -0.64 0.56 0.00 0.00 -1.26 -2.39 105.19 100.12 1h2u n GLY 145 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1h2u n GLY 145 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1h2u n ARG 146 N -0.71 0.69 -0.26 1.61 3.00 0.17 -0.27 116.66 120.89 1h2u n ARG 146 Ca 0.06 -2.09 0.00 0.00 -0.00 0.00 0.00 57.85 55.83 1h2u n ARG 146 Cb 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1h2u n ARG 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h2u n GLY 147 N -0.57 0.63 1.84 5.14 0.00 -1.01 -4.87 105.19 106.35 1h2u n GLY 147 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1h2u n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2u n GLY 148 N -2.00 1.21 3.89 -0.02 0.00 0.89 -4.95 105.19 104.22 1h2u n GLY 148 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1h2u n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h2u s TYR 149 N 0.00 3.50 0.00 1.61 2.02 -1.26 -0.31 117.35 122.91 1h2u s TYR 149 Ca 0.00 0.96 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 1h2u s TYR 149 Cb 0.00 -2.61 0.00 0.00 -0.40 0.00 0.00 41.96 38.95 1h2u s TYR 149 CO 0.00 -0.62 0.00 0.41 -1.57 0.00 0.00 175.55 173.77 1h2u n GLY 150 N -2.56 0.38 0.00 0.71 0.00 -1.25 -4.96 105.19 97.51 1h2u n GLY 150 Ca 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1h2u n GLY 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60