#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s ARG 2 N 0.00 0.45 -0.14 -0.52 3.52 -1.26 -1.95 118.95 119.04 3g6e s ARG 2 Ca 0.00 1.07 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 3g6e s ARG 2 Cb 0.00 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.71 3g6e s ARG 2 CO 0.00 -0.20 -0.16 0.14 -0.81 0.00 0.00 175.30 174.27 3g6e s VAL 3 N 2.19 1.67 -0.22 7.11 -7.23 -0.81 -5.01 120.40 118.10 3g6e s VAL 3 Ca -0.06 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.30 3g6e s VAL 3 Cb -0.10 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 3g6e s VAL 3 CO -0.15 0.47 0.14 -1.61 -0.31 0.00 0.00 175.10 173.65 3g6e s GLU 4 N 1.29 4.13 -0.27 4.82 2.02 -1.26 -2.16 118.70 127.27 3g6e s GLU 4 Ca 0.01 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 3g6e s GLU 4 Cb -0.14 -3.47 0.04 0.00 0.10 0.00 0.00 34.13 30.66 3g6e s GLU 4 CO -0.08 0.19 -0.03 -0.51 0.02 0.00 0.00 175.26 174.84 3g6e s LEU 5 N 0.68 3.53 -0.03 1.80 1.43 -0.29 -4.95 118.68 120.85 3g6e s LEU 5 Ca 0.08 -1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 3g6e s LEU 5 Cb -0.12 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3g6e s LEU 5 CO 0.01 -0.19 1.33 -1.61 0.23 0.00 0.00 176.35 176.12 3g6e s GLU 6 N 1.28 4.30 0.11 1.70 2.02 -1.26 -1.01 118.70 125.83 3g6e s GLU 6 Ca -0.03 1.85 -0.30 0.00 0.02 0.00 0.00 54.97 56.51 3g6e s GLU 6 Cb -0.18 -3.60 -0.06 0.00 0.10 0.00 0.00 34.13 30.39 3g6e s GLU 6 CO -0.03 -0.55 1.12 -1.50 0.02 0.00 0.00 175.26 174.32 3g6e s ILE 7 N 2.49 4.08 0.75 -1.63 2.07 -0.86 -4.98 121.20 123.13 3g6e s ILE 7 Ca 0.61 1.62 -0.13 0.00 -1.41 0.00 0.00 60.65 61.34 3g6e s ILE 7 Cb -0.28 -4.04 0.05 0.00 0.13 0.00 0.00 42.46 38.32 3g6e s ILE 7 CO 0.24 0.20 1.13 -2.84 -1.91 0.00 0.00 174.94 171.75 3g6e s PRO 8 N 0.39 2.22 0.46 3.50 0.02 -1.26 -4.95 135.00 135.38 3g6e s PRO 8 Ca 0.53 1.40 0.20 0.00 0.02 0.00 0.00 61.00 63.15 3g6e s PRO 8 Cb -0.28 -1.88 1.12 0.00 0.02 0.00 0.00 34.50 33.48 3g6e s PRO 8 CO 0.32 -1.71 1.98 1.05 -0.33 0.00 0.00 177.00 178.31 3g6e h GLU 9 N -0.73 0.00 0.00 5.54 4.11 -2.01 -2.34 114.58 119.15 3g6e h GLU 9 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 3g6e h GLU 9 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3g6e h GLU 9 CO 0.50 0.20 -0.57 0.22 0.07 0.00 0.00 179.01 179.43 3g6e h ASP 10 N 0.00 0.00 -2.92 3.06 1.82 -1.98 -3.45 116.42 112.96 3g6e h ASP 10 Ca -0.00 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.01 3g6e h ASP 10 Cb 0.41 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.37 3g6e h ASP 10 CO 0.03 0.57 -0.51 -0.69 -1.61 0.00 0.00 179.24 177.03 3g6e s VAL 11 N -3.55 5.31 -0.10 2.25 1.01 -0.88 -4.50 120.40 119.93 3g6e s VAL 11 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3g6e s VAL 11 Cb 0.12 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.99 3g6e s VAL 11 CO 0.75 0.18 0.21 -1.81 0.00 0.00 0.00 175.10 174.43 3g6e s ASP 12 N -2.37 0.36 -0.08 3.32 1.01 -1.07 -4.62 116.67 113.22 3g6e s ASP 12 Ca 0.33 0.47 0.04 0.00 0.71 0.00 0.00 52.55 54.09 3g6e s ASP 12 Cb -0.13 0.46 0.00 0.00 1.01 0.00 0.00 42.92 44.26 3g6e s ASP 12 CO 0.25 -0.22 -0.21 0.00 0.21 0.00 0.00 175.17 175.20 3g6e s ALA 13 N 2.09 1.89 0.29 5.23 0.00 -1.26 -2.46 121.76 127.54 3g6e s ALA 13 Ca -0.01 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.20 3g6e s ALA 13 Cb -0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3g6e s ALA 13 CO -0.07 0.27 0.19 -2.00 0.00 0.00 0.00 175.76 174.15 3g6e s GLU 14 N 0.29 2.70 -0.12 0.00 2.12 -0.89 -4.99 118.70 117.81 3g6e s GLU 14 Ca -0.14 -1.25 -0.11 0.00 0.36 0.00 0.00 54.97 53.84 3g6e s GLU 14 Cb -0.16 -2.43 0.03 0.00 0.26 0.00 0.00 34.13 31.83 3g6e s GLU 14 CO 0.06 0.26 0.32 -1.14 -0.54 0.00 0.00 175.26 174.22 3g6e s GLN 15 N -3.87 0.36 -0.06 4.30 -0.44 -1.26 -1.65 119.66 117.05 3g6e s GLN 15 Ca 0.36 0.47 -0.02 0.00 -2.50 0.00 0.00 55.36 53.66 3g6e s GLN 15 Cb -0.06 0.15 0.04 0.00 -1.64 0.00 0.00 33.01 31.50 3g6e s GLN 15 CO 0.24 -0.06 0.11 0.16 0.50 0.00 0.00 175.29 176.25 3g6e s ASP 16 N 0.29 0.40 1.58 6.67 -4.77 -0.92 -5.03 116.67 114.89 3g6e s ASP 16 Ca -0.01 0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 3g6e s ASP 16 Cb -0.03 0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.90 3g6e s ASP 16 CO -0.01 -0.19 0.00 1.41 0.70 0.00 0.00 175.17 177.08 3g6e n HIS 17 N 4.72 0.00 0.35 2.11 8.25 -1.26 -1.74 115.22 127.65 3g6e n HIS 17 Ca -0.16 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.33 3g6e n HIS 17 Cb 0.50 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 3g6e n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3g6e n LEU 18 N 0.00 0.35 -4.77 2.41 4.77 -1.26 -4.96 117.00 113.54 3g6e n LEU 18 Ca 0.00 -0.46 -0.39 0.00 -0.03 0.00 0.00 56.01 55.13 3g6e n LEU 18 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3g6e n LEU 18 CO 0.00 0.09 0.31 -1.81 -1.33 0.00 0.00 177.39 174.64 3g6e s ASP 19 N -1.87 7.03 -0.12 -1.43 1.01 -0.71 -1.79 116.67 118.78 3g6e s ASP 19 Ca 0.03 1.22 0.02 0.00 0.71 0.00 0.00 52.55 54.53 3g6e s ASP 19 Cb 0.06 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.63 3g6e s ASP 19 CO 0.34 0.14 -0.19 -0.63 0.21 0.00 0.00 175.17 175.04 3g6e s ILE 20 N -0.44 1.80 -0.15 0.77 1.01 0.18 -2.17 121.20 122.20 3g6e s ILE 20 Ca 0.31 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 3g6e s ILE 20 Cb -0.19 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3g6e s ILE 20 CO 0.18 0.50 -0.02 -0.89 0.00 0.00 0.00 174.94 174.71 3g6e s THR 21 N 0.84 4.08 -0.21 2.92 2.01 -0.66 -1.07 115.64 123.56 3g6e s THR 21 Ca -0.08 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.64 3g6e s THR 21 Cb -0.15 -2.79 0.05 0.00 0.01 0.00 0.00 72.50 69.61 3g6e s THR 21 CO -0.01 0.50 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.63 3g6e s VAL 22 N 0.21 1.75 0.09 3.82 1.01 0.41 -2.09 120.40 125.60 3g6e s VAL 22 Ca -0.01 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3g6e s VAL 22 Cb -0.13 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3g6e s VAL 22 CO 0.02 0.14 0.03 -1.61 0.00 0.00 0.00 175.10 173.68 3g6e s GLU 23 N 1.34 2.66 0.00 2.72 2.02 -1.03 -1.20 118.70 125.21 3g6e s GLU 23 Ca -0.03 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.18 3g6e s GLU 23 Cb -0.17 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3g6e s GLU 23 CO -0.08 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3g6e n GLY 24 N 0.53 2.13 0.23 -1.39 0.00 -0.21 -2.61 105.19 103.86 3g6e n GLY 24 Ca -0.10 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.20 3g6e n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g6e h ASP 25 N 0.00 0.00 0.00 1.61 3.32 -1.59 -3.22 116.42 116.55 3g6e h ASP 25 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g6e h ASP 25 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g6e h ASP 25 CO 0.00 0.06 -0.43 -3.20 -1.72 0.00 0.00 179.24 173.95 3g6e n ASN 26 N -3.13 2.03 0.00 6.45 5.15 -0.02 -5.02 115.26 120.72 3g6e n ASN 26 Ca 0.03 -1.51 0.00 0.00 -0.60 0.00 0.00 54.58 52.50 3g6e n ASN 26 Cb 0.49 0.42 0.00 0.00 -0.53 0.00 0.00 39.78 40.16 3g6e n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g6e n GLY 27 N 1.41 0.44 2.89 8.20 0.00 -1.22 -4.60 105.19 112.32 3g6e n GLY 27 Ca 0.10 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 3g6e n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g6e s SER 28 N -4.00 0.77 -0.10 1.61 1.04 -1.26 -1.05 113.70 110.71 3g6e s SER 28 Ca 0.00 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.35 3g6e s SER 28 Cb 0.00 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.81 3g6e s SER 28 CO 0.00 -0.04 -0.15 -0.69 0.98 0.00 0.00 173.24 173.35 3g6e s VAL 29 N 0.71 1.42 -0.16 5.02 1.01 -0.34 -4.91 120.40 123.16 3g6e s VAL 29 Ca -0.09 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 3g6e s VAL 29 Cb -0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3g6e s VAL 29 CO -0.00 0.42 -0.11 -0.89 0.00 0.00 0.00 175.10 174.52 3g6e s THR 30 N 0.93 3.03 0.06 3.92 2.01 -1.26 -0.45 115.64 123.88 3g6e s THR 30 Ca -0.08 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.32 3g6e s THR 30 Cb -0.15 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3g6e s THR 30 CO -0.00 0.50 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.17 3g6e s ARG 31 N 0.76 0.79 -0.27 4.92 0.52 -0.23 -4.97 118.95 120.48 3g6e s ARG 31 Ca -0.05 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.21 3g6e s ARG 31 Cb -0.15 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 3g6e s ARG 31 CO 0.01 0.17 0.16 0.50 0.02 0.00 0.00 175.30 176.16 3g6e s ARG 32 N -1.52 3.89 -0.49 3.54 3.52 -1.26 -0.65 118.95 125.97 3g6e s ARG 32 Ca -0.02 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 3g6e s ARG 32 Cb -0.09 -3.57 0.13 0.00 -1.56 0.00 0.00 34.95 29.86 3g6e s ARG 32 CO 0.02 -0.16 0.24 -0.51 -0.81 0.00 0.00 175.30 174.08 3g6e s LEU 33 N 1.66 4.66 -0.14 -0.88 1.43 -0.74 -5.01 118.68 119.66 3g6e s LEU 33 Ca 0.07 -2.73 0.01 0.00 -1.03 0.00 0.00 54.13 50.45 3g6e s LEU 33 Cb -0.16 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3g6e s LEU 33 CO 0.09 -0.31 -0.16 0.86 0.23 0.00 0.00 176.35 177.05 3g6e s TRP 34 N 0.12 2.26 -0.13 0.29 -0.00 -1.26 -4.89 118.94 115.33 3g6e s TRP 34 Ca 0.15 -1.22 -0.26 0.00 -0.00 0.00 0.00 56.10 54.77 3g6e s TRP 34 Cb -0.23 -1.62 0.06 0.00 -0.00 0.00 0.00 33.47 31.68 3g6e s TRP 34 CO -0.03 -0.63 0.64 -0.47 -0.00 0.00 0.00 176.95 176.46 3g6e s TYR 35 N 1.26 -0.65 -0.10 5.86 5.04 -1.26 -5.12 117.35 122.37 3g6e s TYR 35 Ca 0.01 1.32 -0.37 0.00 -2.44 0.00 0.00 57.07 55.59 3g6e s TYR 35 Cb -0.14 0.32 -0.15 0.00 0.35 0.00 0.00 41.96 42.34 3g6e s TYR 35 CO -0.08 -0.48 1.68 -2.30 -1.34 0.00 0.00 175.55 173.03 3g6e n PRO 36 N 1.69 1.54 -1.77 4.97 -0.02 -1.26 -2.72 135.00 137.43 3g6e n PRO 36 Ca -0.17 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 3g6e n PRO 36 Cb 0.56 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 3g6e n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g6e n ASP 37 N 4.92 -5.59 -4.35 2.55 8.00 -1.26 -4.99 116.55 115.83 3g6e n ASP 37 Ca 0.23 0.41 -0.37 0.00 0.71 0.00 0.00 54.79 55.77 3g6e n ASP 37 Cb 0.20 -4.87 -0.13 0.00 -0.02 0.00 0.00 41.12 36.31 3g6e n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3g6e s ILE 38 N -2.83 3.94 -0.27 0.53 1.01 -1.10 -4.11 121.20 118.37 3g6e s ILE 38 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 3g6e s ILE 38 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3g6e s ILE 38 CO 0.00 0.12 0.16 -1.81 0.00 0.00 0.00 174.94 173.41 3g6e s ASP 39 N 1.51 5.75 -0.24 3.58 1.01 0.47 -4.70 116.67 124.04 3g6e s ASP 39 Ca 0.03 -0.09 -0.05 0.00 0.71 0.00 0.00 52.55 53.14 3g6e s ASP 39 Cb -0.17 -2.06 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 3g6e s ASP 39 CO 0.02 -0.06 0.01 -0.69 0.21 0.00 0.00 175.17 174.66 3g6e s VAL 40 N 1.71 3.70 0.14 -1.27 1.01 -1.26 -1.53 120.40 122.91 3g6e s VAL 40 Ca 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3g6e s VAL 40 Cb -0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3g6e s VAL 40 CO 0.09 0.33 -0.01 -0.94 0.00 0.00 0.00 175.10 174.56 3g6e s SER 41 N 1.51 1.06 -0.30 3.32 1.04 -0.30 -4.99 113.70 115.04 3g6e s SER 41 Ca 0.05 -1.12 -0.08 0.00 0.48 0.00 0.00 55.95 55.28 3g6e s SER 41 Cb -0.15 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3g6e s SER 41 CO -0.00 -0.56 0.11 -0.69 0.98 0.00 0.00 173.24 173.08 3g6e s VAL 42 N -3.70 4.25 -0.96 5.02 1.01 -1.26 -0.56 120.40 124.21 3g6e s VAL 42 Ca 0.19 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3g6e s VAL 42 Cb 0.06 -3.17 0.29 0.00 0.00 0.00 0.00 36.38 33.56 3g6e s VAL 42 CO 0.00 0.09 1.30 -0.67 0.00 0.00 0.00 175.10 175.82 3g6e n ASP 43 N 4.92 5.76 0.00 3.32 2.03 0.12 -4.96 116.55 127.75 3g6e n ASP 43 Ca -0.14 -3.44 0.00 0.00 0.52 0.00 0.00 54.79 51.73 3g6e n ASP 43 Cb 0.49 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 3g6e n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g6e n GLY 44 N 1.13 1.28 0.29 0.27 0.00 -1.26 -2.72 105.19 104.18 3g6e n GLY 44 Ca 0.28 0.38 0.04 0.00 0.00 0.00 0.00 46.02 46.72 3g6e n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g6e n ASP 45 N 2.80 1.49 -4.20 1.61 5.75 -1.26 -5.00 116.55 117.74 3g6e n ASP 45 Ca 0.00 -1.25 -0.18 0.00 -0.01 0.00 0.00 54.79 53.35 3g6e n ASP 45 Cb 0.00 0.17 -0.12 0.00 -1.03 0.00 0.00 41.12 40.14 3g6e n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3g6e s THR 46 N -0.90 1.21 -0.23 2.12 -4.23 -1.10 -2.02 115.64 110.49 3g6e s THR 46 Ca 0.09 -1.47 -0.07 0.00 -1.18 0.00 0.00 61.69 59.06 3g6e s THR 46 Cb 0.07 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3g6e s THR 46 CO 0.14 -0.29 0.06 -0.69 -0.54 0.00 0.00 174.62 173.31 3g6e s VAL 47 N -1.59 4.36 -0.22 2.29 1.01 -0.18 -0.70 120.40 125.36 3g6e s VAL 47 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3g6e s VAL 47 Cb -0.08 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3g6e s VAL 47 CO 0.03 0.37 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 3g6e s VAL 48 N 1.36 4.43 -0.33 2.92 1.01 0.28 -1.13 120.40 128.94 3g6e s VAL 48 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3g6e s VAL 48 Cb -0.15 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.26 3g6e s VAL 48 CO 0.03 0.38 0.04 -0.63 0.00 0.00 0.00 175.10 174.93 3g6e s ILE 49 N 1.17 2.88 0.10 2.22 1.01 -0.92 -1.14 121.20 126.52 3g6e s ILE 49 Ca 0.04 -1.70 0.04 0.00 0.00 0.00 0.00 60.65 59.03 3g6e s ILE 49 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3g6e s ILE 49 CO 0.03 -0.30 -0.10 -1.83 0.00 0.00 0.00 174.94 172.74 3g6e s GLU 50 N 1.16 0.88 0.02 2.79 -1.05 -0.58 -1.92 118.70 120.00 3g6e s GLU 50 Ca -0.00 -1.21 -0.17 0.00 -0.15 0.00 0.00 54.97 53.44 3g6e s GLU 50 Cb -0.20 -0.54 0.03 0.00 -0.44 0.00 0.00 34.13 32.97 3g6e s GLU 50 CO -0.03 0.08 0.37 0.45 0.95 0.00 0.00 175.26 177.08 3g6e s SER 51 N -2.57 -0.24 0.28 0.83 0.15 -0.82 -0.40 113.70 110.93 3g6e s SER 51 Ca 0.07 0.04 0.22 0.00 0.70 0.00 0.00 55.95 56.98 3g6e s SER 51 Cb -0.02 0.38 0.11 0.00 -1.71 0.00 0.00 66.02 64.78 3g6e s SER 51 CO -0.00 -0.57 1.25 0.44 1.20 0.00 0.00 173.24 175.56 3g6e h ASP 52 N 3.35 0.00 -2.83 5.45 3.32 -1.86 -0.64 116.42 123.20 3g6e h ASP 52 Ca -0.30 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.11 3g6e h ASP 52 Cb 1.19 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 3g6e h ASP 52 CO 0.43 0.07 -0.35 -1.61 -1.72 0.00 0.00 179.24 176.05 3g6e s GLU 53 N -3.26 3.65 -0.22 3.56 2.02 -1.26 -4.72 118.70 118.47 3g6e s GLU 53 Ca 0.02 0.09 0.12 0.00 0.02 0.00 0.00 54.97 55.22 3g6e s GLU 53 Cb 0.08 -3.18 0.44 0.00 0.10 0.00 0.00 34.13 31.56 3g6e s GLU 53 CO 0.75 0.72 1.30 -0.40 0.02 0.00 0.00 175.26 177.65 3g6e n ASP 54 N 1.76 2.22 -4.86 -0.19 5.75 -1.26 -4.44 116.55 115.54 3g6e n ASP 54 Ca -0.16 -3.67 -0.31 0.00 -0.01 0.00 0.00 54.79 50.64 3g6e n ASP 54 Cb 0.54 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3g6e n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3g6e s ASN 55 N -2.86 6.26 0.39 -1.12 2.20 -1.26 -4.81 114.94 113.73 3g6e s ASN 55 Ca 0.39 1.47 0.19 0.00 -0.94 0.00 0.00 52.86 53.97 3g6e s ASN 55 Cb 0.36 -2.48 1.13 0.00 -2.00 0.00 0.00 41.25 38.27 3g6e s ASN 55 CO -0.02 -0.85 1.73 0.00 -2.94 0.00 0.00 177.10 175.02 3g6e h ALA 56 N -0.07 2.24 -0.09 3.54 0.00 -1.98 -0.14 119.26 122.76 3g6e h ALA 56 Ca -0.45 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 3g6e h ALA 56 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3g6e h ALA 56 CO 0.62 -0.72 -0.81 0.87 0.00 0.00 0.00 179.25 179.21 3g6e h LYS 57 N 0.35 0.58 -0.18 0.00 1.57 -2.00 -2.14 116.57 114.76 3g6e h LYS 57 Ca 0.66 -0.51 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 3g6e h LYS 57 Cb 1.68 0.12 0.01 0.00 0.08 0.00 0.00 32.23 34.12 3g6e h LYS 57 CO -0.38 1.13 -0.58 1.15 -0.57 0.00 0.00 179.45 180.20 3g6e h THR 58 N 0.38 1.31 -0.33 -0.16 2.02 -1.54 -3.04 112.91 111.55 3g6e h THR 58 Ca -0.06 -1.81 -0.06 0.00 0.77 0.00 0.00 66.41 65.25 3g6e h THR 58 Cb 1.43 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.76 3g6e h THR 58 CO 0.15 0.57 -0.04 0.24 0.37 0.00 0.00 175.52 176.81 3g6e h MET 59 N 0.40 0.53 -0.57 6.66 2.86 -1.12 -1.45 114.93 122.24 3g6e h MET 59 Ca -0.02 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3g6e h MET 59 Cb 1.21 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 3g6e h MET 59 CO 0.12 0.58 0.28 0.77 1.06 0.00 0.00 176.91 179.73 3g6e h SER 60 N 0.50 0.74 0.83 1.22 0.02 -1.32 -2.69 113.55 112.86 3g6e h SER 60 Ca 0.10 -0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 3g6e h SER 60 Cb 0.38 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3g6e h SER 60 CO 0.02 0.65 -0.95 0.74 -1.14 0.00 0.00 176.83 176.15 3g6e h THR 61 N 0.77 1.62 -0.71 -2.27 2.02 -1.37 -2.67 112.91 110.30 3g6e h THR 61 Ca 0.20 -3.06 -0.04 0.00 0.77 0.00 0.00 66.41 64.28 3g6e h THR 61 Cb 0.10 2.69 -0.03 0.00 -1.74 0.00 0.00 68.15 69.17 3g6e h THR 61 CO -0.03 0.88 0.30 0.40 0.37 0.00 0.00 175.52 177.44 3g6e h ILE 62 N 0.03 1.24 0.00 3.11 2.04 -1.17 0.83 117.51 123.59 3g6e h ILE 62 Ca -0.03 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 3g6e h ILE 62 Cb 1.64 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3g6e h ILE 62 CO 0.13 0.30 -0.38 1.23 0.00 0.00 0.00 178.15 179.44 3g6e h GLY 63 N 1.01 0.00 1.47 5.37 0.00 -1.47 -1.70 103.07 107.75 3g6e h GLY 63 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.30 3g6e h GLY 63 CO -0.02 0.00 -1.14 -0.84 0.00 0.00 0.00 176.54 174.53 3g6e h THR 64 N 0.00 1.39 -0.23 4.70 2.02 -1.03 -2.93 112.91 116.83 3g6e h THR 64 Ca -0.00 -2.65 -0.12 0.00 0.77 0.00 0.00 66.41 64.42 3g6e h THR 64 Cb 0.84 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 3g6e h THR 64 CO 0.05 0.79 -0.35 -0.26 0.37 0.00 0.00 175.52 176.12 3g6e h PHE 65 N 0.19 0.57 0.24 3.16 0.05 -0.64 -2.02 116.94 118.50 3g6e h PHE 65 Ca -0.14 -0.15 -0.01 0.00 3.82 0.00 0.00 57.97 61.49 3g6e h PHE 65 Cb 1.82 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 39.64 3g6e h PHE 65 CO 0.08 0.78 -0.11 0.37 -0.18 0.00 0.00 178.31 179.25 3g6e h GLN 66 N 0.42 -0.31 0.00 1.51 4.15 -1.33 -1.92 115.11 117.62 3g6e h GLN 66 Ca 0.05 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3g6e h GLN 66 Cb 0.81 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.57 3g6e h GLN 66 CO 0.07 -0.11 -0.13 0.77 -1.93 0.00 0.00 178.83 177.50 3g6e h SER 67 N -0.46 0.00 -0.26 -0.69 0.02 -1.44 -0.87 113.55 109.85 3g6e h SER 67 Ca -0.03 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 3g6e h SER 67 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3g6e h SER 67 CO 0.05 0.13 -0.52 0.45 -1.14 0.00 0.00 176.83 175.80 3g6e h HIS 68 N 0.00 1.03 -0.14 3.45 3.86 -1.13 -2.00 115.15 120.22 3g6e h HIS 68 Ca -0.00 -0.37 -0.21 0.00 -1.16 0.00 0.00 60.37 58.62 3g6e h HIS 68 Cb 0.23 -0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.51 3g6e h HIS 68 CO 0.00 1.19 -0.75 0.82 0.86 0.00 0.00 177.93 180.05 3g6e h ILE 69 N 0.58 1.31 0.00 2.45 2.04 -0.72 -2.23 117.51 120.94 3g6e h ILE 69 Ca 0.01 -2.00 -0.07 0.00 1.00 0.00 0.00 64.86 63.80 3g6e h ILE 69 Cb 1.13 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 3g6e h ILE 69 CO 0.12 0.63 -0.32 -0.33 0.00 0.00 0.00 178.15 178.25 3g6e h GLU 70 N 0.47 0.00 0.01 2.37 5.08 -1.21 -1.73 114.58 119.58 3g6e h GLU 70 Ca -0.04 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 3g6e h GLU 70 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3g6e h GLU 70 CO 0.15 0.32 -0.90 -0.91 -1.00 0.00 0.00 179.01 176.66 3g6e h ASN 71 N 0.00 0.28 0.53 1.42 4.21 -1.23 -2.73 115.58 118.06 3g6e h ASN 71 Ca -0.00 -0.23 -0.14 0.00 1.21 0.00 0.00 56.30 57.14 3g6e h ASN 71 Cb 0.61 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 3g6e h ASN 71 CO 0.04 1.04 -0.62 0.24 -1.29 0.00 0.00 177.43 176.85 3g6e h MET 72 N 0.11 0.08 -0.19 0.81 2.86 -0.87 -0.69 114.93 117.04 3g6e h MET 72 Ca -0.05 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3g6e h MET 72 Cb 1.54 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.20 3g6e h MET 72 CO 0.14 0.67 -0.07 0.74 1.06 0.00 0.00 176.91 179.45 3g6e h PHE 73 N 0.06 0.43 -0.25 -0.22 0.05 -1.28 -2.54 116.94 113.18 3g6e h PHE 73 Ca -0.01 -0.10 -0.10 0.00 3.82 0.00 0.00 57.97 61.58 3g6e h PHE 73 Cb 1.10 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.93 3g6e h PHE 73 CO 0.01 0.66 -0.28 1.25 -0.18 0.00 0.00 178.31 179.77 3g6e h HIS 74 N 0.08 0.57 -0.48 -0.55 2.76 -1.39 -3.14 115.15 113.00 3g6e h HIS 74 Ca 0.04 -0.13 -0.11 0.00 -2.20 0.00 0.00 60.37 57.97 3g6e h HIS 74 Cb 0.53 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3g6e h HIS 74 CO 0.06 0.73 -0.15 0.78 -1.30 0.00 0.00 177.93 178.05 3g6e h GLY 75 N 1.03 1.01 1.04 5.26 0.00 -1.02 0.20 103.07 110.59 3g6e h GLY 75 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3g6e h GLY 75 CO 0.05 0.76 -0.06 3.33 0.00 0.00 0.00 176.54 180.62 3g6e n VAL 76 N -4.13 0.00 0.00 4.60 0.24 -0.97 -3.14 118.33 114.93 3g6e n VAL 76 Ca 0.01 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3g6e n VAL 76 Cb 0.41 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 3g6e n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3g6e n THR 77 N -1.00 0.00 0.15 3.34 -2.24 -1.16 -0.84 114.28 112.53 3g6e n THR 77 Ca 0.16 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.96 3g6e n THR 77 Cb 0.25 -0.54 0.17 0.00 -2.10 0.00 0.00 70.33 68.10 3g6e n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3g6e h GLU 78 N 0.00 0.00 0.00 -0.78 5.08 -1.59 -3.40 114.58 113.89 3g6e h GLU 78 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g6e h GLU 78 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g6e h GLU 78 CO 0.00 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.96 3g6e n GLY 79 N 0.62 -1.14 3.12 -3.84 0.00 -0.02 -4.93 105.19 99.00 3g6e n GLY 79 Ca 0.00 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 3g6e n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g6e s TRP 80 N -1.28 2.44 -0.10 1.61 0.52 -0.43 -4.65 118.94 117.05 3g6e s TRP 80 Ca 0.00 -1.23 0.02 0.00 0.02 0.00 0.00 56.10 54.91 3g6e s TRP 80 Cb 0.00 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 3g6e s TRP 80 CO 0.00 -0.59 -0.16 -1.21 0.02 0.00 0.00 176.95 175.01 3g6e s GLU 81 N 0.93 2.28 -0.15 4.98 2.02 -1.26 -2.12 118.70 125.38 3g6e s GLU 81 Ca -0.06 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.35 3g6e s GLU 81 Cb -0.15 -1.89 -0.00 0.00 0.10 0.00 0.00 34.13 32.19 3g6e s GLU 81 CO -0.03 -0.01 -0.16 0.71 0.02 0.00 0.00 175.26 175.79 3g6e s TYR 82 N 0.84 2.76 -0.14 1.61 1.51 0.10 -4.00 117.35 120.02 3g6e s TYR 82 Ca -0.10 -1.03 -0.08 0.00 -1.01 0.00 0.00 57.07 54.86 3g6e s TYR 82 Cb -0.15 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 3g6e s TYR 82 CO 0.01 -0.46 0.13 0.20 -1.11 0.00 0.00 175.55 174.31 3g6e s GLY 83 N 0.75 2.10 0.04 0.71 0.00 -0.84 -0.83 107.32 109.25 3g6e s GLY 83 Ca -0.07 -0.67 0.05 0.00 0.00 0.00 0.00 44.72 44.03 3g6e s GLY 83 CO 0.01 -0.22 -0.13 1.06 0.00 0.00 0.00 173.10 173.82 3g6e s MET 84 N -0.55 0.85 -0.05 2.90 -1.94 0.16 0.25 119.30 120.92 3g6e s MET 84 Ca 0.12 -0.77 0.05 0.00 -1.71 0.00 0.00 55.69 53.39 3g6e s MET 84 Cb -0.12 -0.84 -0.01 0.00 2.01 0.00 0.00 34.83 35.88 3g6e s MET 84 CO 0.02 0.20 -0.22 -1.21 -0.01 0.00 0.00 175.02 173.80 3g6e s GLU 85 N -1.24 2.31 -0.31 2.03 2.02 -0.56 -0.37 118.70 122.57 3g6e s GLU 85 Ca -0.00 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 3g6e s GLU 85 Cb -0.08 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 3g6e s GLU 85 CO 0.01 0.32 0.27 0.54 0.02 0.00 0.00 175.26 176.43 3g6e s VAL 86 N -0.07 5.25 -0.08 2.63 0.11 -0.95 -1.31 120.40 125.99 3g6e s VAL 86 Ca -0.04 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 3g6e s VAL 86 Cb -0.13 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 31.01 3g6e s VAL 86 CO 0.03 0.07 -0.06 0.12 -3.33 0.00 0.00 175.10 171.93 3g6e s PHE 87 N 1.85 2.96 -0.03 1.54 5.36 -0.61 -4.99 117.98 124.05 3g6e s PHE 87 Ca 0.09 -0.03 -0.05 0.00 -0.96 0.00 0.00 56.93 55.98 3g6e s PHE 87 Cb -0.17 -1.75 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 3g6e s PHE 87 CO 0.11 0.28 0.13 1.52 -1.46 0.00 0.00 175.22 175.79 3g6e s TYR 88 N -0.64 -0.06 -0.21 10.12 -0.85 -1.26 -1.06 117.35 123.39 3g6e s TYR 88 Ca 0.10 0.15 -0.17 0.00 -0.52 0.00 0.00 57.07 56.63 3g6e s TYR 88 Cb -0.12 0.00 -0.08 0.00 0.38 0.00 0.00 41.96 42.15 3g6e s TYR 88 CO 0.02 -0.15 -0.35 -1.13 -1.52 0.00 0.00 175.55 172.42 3g6e n SER 89 N 2.41 1.94 -0.05 -0.18 3.41 -1.26 -4.92 113.62 114.98 3g6e n SER 89 Ca -0.16 0.34 -0.09 0.00 -0.26 0.00 0.00 58.87 58.69 3g6e n SER 89 Cb 0.58 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 3g6e n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3g6e n HIS 90 N -4.40 0.00 -3.37 7.33 -0.00 -1.26 -5.01 115.22 108.52 3g6e n HIS 90 Ca -0.26 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.07 3g6e n HIS 90 Cb 0.63 -0.39 -0.09 0.00 -0.00 0.00 0.00 29.99 30.14 3g6e n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3g6e s PHE 91 N -2.20 3.26 -0.23 1.57 0.40 -1.26 -5.04 117.98 114.48 3g6e s PHE 91 Ca -0.14 0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 56.36 3g6e s PHE 91 Cb 0.05 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 3g6e s PHE 91 CO 0.21 -0.21 1.82 -2.14 0.70 0.00 0.00 175.22 175.60 3g6e s PRO 92 N 2.03 3.56 -0.16 0.24 0.02 -1.26 -4.75 135.00 134.68 3g6e s PRO 92 Ca 0.16 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 62.70 3g6e s PRO 92 Cb -0.16 -4.16 -0.02 0.00 0.02 0.00 0.00 34.50 30.18 3g6e s PRO 92 CO 0.10 -1.59 0.77 1.41 -0.33 0.00 0.00 177.00 177.36 3g6e s MET 93 N 5.27 4.31 -0.48 5.54 1.75 -1.26 -4.77 119.30 129.66 3g6e s MET 93 Ca 0.81 0.92 -0.14 0.00 -1.25 0.00 0.00 55.69 56.04 3g6e s MET 93 Cb -0.27 -3.55 0.09 0.00 2.84 0.00 0.00 34.83 33.94 3g6e s MET 93 CO 0.33 -0.24 0.40 -0.65 -0.65 0.00 0.00 175.02 174.20 3g6e s GLN 94 N 1.87 2.87 -0.25 4.11 -0.21 -0.59 -4.97 119.66 122.49 3g6e s GLN 94 Ca 0.36 -1.51 -0.10 0.00 0.02 0.00 0.00 55.36 54.13 3g6e s GLN 94 Cb -0.17 -4.10 -0.05 0.00 1.00 0.00 0.00 33.01 29.69 3g6e s GLN 94 CO 0.13 -1.12 0.15 0.08 -2.12 0.00 0.00 175.29 172.42 3g6e s VAL 95 N 1.57 5.18 0.04 1.09 1.01 -1.26 -0.27 120.40 127.76 3g6e s VAL 95 Ca 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3g6e s VAL 95 Cb -0.26 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3g6e s VAL 95 CO 0.04 0.32 -0.03 0.20 0.00 0.00 0.00 175.10 175.63 3g6e s ASN 96 N 1.35 0.40 -0.70 3.32 -0.87 0.00 -5.02 114.94 113.42 3g6e s ASN 96 Ca 0.07 -0.80 -0.10 0.00 -1.57 0.00 0.00 52.86 50.46 3g6e s ASN 96 Cb -0.15 0.16 0.18 0.00 -0.02 0.00 0.00 41.25 41.43 3g6e s ASN 96 CO 0.07 -0.48 0.60 -0.69 -2.57 0.00 0.00 177.10 174.03 3g6e s VAL 97 N -2.94 4.83 -0.87 1.60 1.01 -1.26 -0.04 120.40 122.72 3g6e s VAL 97 Ca -0.02 -2.48 -0.15 0.00 0.00 0.00 0.00 61.98 59.33 3g6e s VAL 97 Cb 0.01 -4.05 0.20 0.00 0.00 0.00 0.00 36.38 32.54 3g6e s VAL 97 CO -0.06 -0.94 0.87 -1.61 0.00 0.00 0.00 175.10 173.36 3g6e s GLU 98 N 0.32 3.65 2.63 2.72 2.02 -0.47 -4.94 118.70 124.63 3g6e s GLU 98 Ca 0.15 -2.37 0.00 0.00 0.02 0.00 0.00 54.97 52.78 3g6e s GLU 98 Cb -0.17 -4.55 0.00 0.00 0.10 0.00 0.00 34.13 29.52 3g6e s GLU 98 CO -0.05 -1.39 0.00 0.41 0.02 0.00 0.00 175.26 174.24 3g6e n GLY 99 N 4.21 0.67 1.65 -1.39 0.00 -1.26 -3.80 105.19 105.28 3g6e n GLY 99 Ca 0.17 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 45.09 3g6e n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 100 N 2.97 4.63 -3.93 1.61 8.00 -1.26 -4.89 116.55 123.67 3g6e n ASP 100 Ca 0.00 -2.80 -0.10 0.00 0.71 0.00 0.00 54.79 52.59 3g6e n ASP 100 Cb 0.00 -0.66 -0.12 0.00 -0.02 0.00 0.00 41.12 40.32 3g6e n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3g6e s GLU 101 N -2.43 0.21 -0.32 -1.24 -1.05 -1.25 -1.89 118.70 110.73 3g6e s GLU 101 Ca 0.43 -0.35 -0.14 0.00 -0.15 0.00 0.00 54.97 54.77 3g6e s GLU 101 Cb 0.34 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 34.08 3g6e s GLU 101 CO 0.12 -0.04 0.31 0.54 0.95 0.00 0.00 175.26 177.15 3g6e s VAL 102 N -0.88 5.21 -0.14 1.83 0.11 -0.82 -1.37 120.40 124.34 3g6e s VAL 102 Ca -0.10 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3g6e s VAL 102 Cb -0.06 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 3g6e s VAL 102 CO -0.00 0.01 0.11 -0.69 -3.33 0.00 0.00 175.10 171.20 3g6e s VAL 103 N 1.93 5.20 -0.23 2.04 1.01 0.94 -2.75 120.40 128.54 3g6e s VAL 103 Ca 0.10 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 3g6e s VAL 103 Cb -0.16 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3g6e s VAL 103 CO 0.11 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 175.02 3g6e s ILE 104 N -0.48 2.50 0.16 2.22 1.01 0.97 -0.82 121.20 126.77 3g6e s ILE 104 Ca 0.11 -1.07 0.06 0.00 0.00 0.00 0.00 60.65 59.75 3g6e s ILE 104 Cb -0.12 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3g6e s ILE 104 CO 0.02 0.29 0.05 -1.61 0.00 0.00 0.00 174.94 173.69 3g6e s GLU 105 N 1.28 2.62 -1.48 2.79 2.02 0.62 -0.93 118.70 125.62 3g6e s GLU 105 Ca 0.01 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 53.89 3g6e s GLU 105 Cb -0.16 -2.49 0.06 0.00 0.10 0.00 0.00 34.13 31.64 3g6e s GLU 105 CO -0.07 0.47 0.90 -1.71 0.02 0.00 0.00 175.26 174.87 3g6e n ASN 106 N -0.15 -5.14 -4.69 -0.19 4.05 -1.24 -1.54 115.26 106.35 3g6e n ASN 106 Ca -0.09 -0.62 -0.42 0.00 0.45 0.00 0.00 54.58 53.90 3g6e n ASN 106 Cb 0.55 -4.11 -0.03 0.00 1.23 0.00 0.00 39.78 37.42 3g6e n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3g6e s PHE 107 N -3.23 3.24 -1.26 1.20 5.36 -1.26 -3.45 117.98 118.58 3g6e s PHE 107 Ca 0.57 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.81 3g6e s PHE 107 Cb -0.28 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 3g6e s PHE 107 CO 0.71 -1.19 0.00 -0.11 -1.46 0.00 0.00 175.22 173.17 3g6e n LEU 108 N 5.07 -0.82 0.00 6.12 7.94 -1.26 -0.72 117.00 133.33 3g6e n LEU 108 Ca 0.10 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 3g6e n LEU 108 Cb 0.47 -1.93 0.00 0.00 0.53 0.00 0.00 43.42 42.48 3g6e n LEU 108 CO 0.55 -0.66 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 3g6e n GLY 109 N -0.18 0.86 3.75 -3.96 0.00 -1.22 -5.01 105.19 99.43 3g6e n GLY 109 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3g6e n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 110 N -0.81 4.45 0.08 1.61 2.02 0.10 -4.95 118.70 121.20 3g6e s GLU 110 Ca 0.00 2.04 -0.03 0.00 0.02 0.00 0.00 54.97 57.00 3g6e s GLU 110 Cb 0.00 -3.15 -0.27 0.00 0.10 0.00 0.00 34.13 30.81 3g6e s GLU 110 CO 0.00 -0.10 1.16 0.87 0.02 0.00 0.00 175.26 177.22 3g6e h LYS 111 N 4.24 0.24 -5.90 1.61 1.57 -1.97 -3.30 116.57 113.06 3g6e h LYS 111 Ca -0.47 -0.41 -0.57 0.00 -1.87 0.00 0.00 60.65 57.33 3g6e h LYS 111 Cb 1.22 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 3g6e h LYS 111 CO 0.70 1.19 0.15 0.00 -0.57 0.00 0.00 179.45 180.92 3g6e s ALA 112 N -2.68 3.43 0.22 3.86 0.00 -1.26 -4.87 121.76 120.47 3g6e s ALA 112 Ca -0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 3g6e s ALA 112 Cb 0.07 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 3g6e s ALA 112 CO 0.88 -0.33 1.27 -2.14 0.00 0.00 0.00 175.76 175.43 3g6e s PRO 113 N 1.36 4.43 -0.11 0.00 0.02 -1.26 -4.77 135.00 134.66 3g6e s PRO 113 Ca 0.35 2.02 -0.16 0.00 0.02 0.00 0.00 61.00 63.22 3g6e s PRO 113 Cb -0.17 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 3g6e s PRO 113 CO 0.14 -0.16 0.41 1.03 -0.33 0.00 0.00 177.00 178.09 3g6e s ARG 114 N -0.52 4.24 -0.01 5.54 0.52 -0.11 -4.95 118.95 123.66 3g6e s ARG 114 Ca 0.54 0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 56.04 3g6e s ARG 114 Cb -0.36 -3.40 -0.00 0.00 0.52 0.00 0.00 34.95 31.72 3g6e s ARG 114 CO 0.40 0.27 0.09 -0.98 0.02 0.00 0.00 175.30 175.10 3g6e s ARG 115 N 0.29 0.32 0.03 3.54 1.70 -1.26 -0.02 118.95 123.54 3g6e s ARG 115 Ca 0.23 -0.26 0.02 0.00 -0.47 0.00 0.00 55.73 55.25 3g6e s ARG 115 Cb -0.15 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.35 3g6e s ARG 115 CO 0.09 -0.06 -0.07 -0.08 -1.08 0.00 0.00 175.30 174.09 3g6e s THR 116 N -0.90 0.54 0.10 4.99 -1.32 -1.11 -5.04 115.64 112.89 3g6e s THR 116 Ca -0.10 -0.80 -0.21 0.00 -1.21 0.00 0.00 61.69 59.37 3g6e s THR 116 Cb -0.06 -0.56 -0.07 0.00 -1.51 0.00 0.00 72.50 70.31 3g6e s THR 116 CO 0.00 -0.19 0.62 -0.89 -2.21 0.00 0.00 174.62 171.95 3g6e s THR 117 N -0.94 4.65 -0.02 5.08 2.01 -1.26 -1.95 115.64 123.21 3g6e s THR 117 Ca -0.05 1.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 3g6e s THR 117 Cb -0.07 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3g6e s THR 117 CO 0.00 0.55 1.02 -0.63 -0.69 0.00 0.00 174.62 174.87 3g6e s ILE 118 N -1.11 4.72 -0.37 1.82 1.01 -0.79 -4.94 121.20 121.54 3g6e s ILE 118 Ca 0.31 1.96 -0.28 0.00 0.00 0.00 0.00 60.65 62.64 3g6e s ILE 118 Cb -0.20 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.03 3g6e s ILE 118 CO 0.21 0.11 1.06 -1.00 0.00 0.00 0.00 174.94 175.32 3g6e s HIS 119 N 1.29 3.05 0.00 3.97 3.76 -1.26 -4.93 115.29 121.17 3g6e s HIS 119 Ca 0.52 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 3g6e s HIS 119 Cb -0.22 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.60 3g6e s HIS 119 CO 0.26 -0.91 0.00 0.41 -0.85 0.00 0.00 174.74 173.65 3g6e n GLY 120 N 4.23 1.98 1.40 -2.22 0.00 -1.26 -3.47 105.19 105.84 3g6e n GLY 120 Ca 0.11 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 3g6e n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 121 N 1.64 3.22 -4.74 1.61 8.00 -1.26 -4.92 116.55 120.11 3g6e n ASP 121 Ca 0.00 -2.59 -0.41 0.00 0.71 0.00 0.00 54.79 52.50 3g6e n ASP 121 Cb 0.00 -0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 40.43 3g6e n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g6e s THR 122 N -1.46 4.31 -0.14 -3.53 2.01 -1.23 -4.78 115.64 110.82 3g6e s THR 122 Ca 0.23 2.06 -0.03 0.00 0.31 0.00 0.00 61.69 64.27 3g6e s THR 122 Cb 0.19 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 3g6e s THR 122 CO 0.05 0.39 -0.06 -1.81 -0.69 0.00 0.00 174.62 172.50 3g6e s ASP 123 N -0.46 4.61 -0.30 3.53 1.01 0.90 -4.91 116.67 121.07 3g6e s ASP 123 Ca 0.45 -0.17 -0.03 0.00 0.71 0.00 0.00 52.55 53.51 3g6e s ASP 123 Cb -0.25 -1.71 0.04 0.00 1.01 0.00 0.00 42.92 42.01 3g6e s ASP 123 CO 0.31 0.18 0.01 -0.69 0.21 0.00 0.00 175.17 175.19 3g6e s VAL 124 N 0.29 3.15 -0.16 -1.27 1.01 -1.26 -0.64 120.40 121.52 3g6e s VAL 124 Ca -0.05 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 3g6e s VAL 124 Cb -0.14 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3g6e s VAL 124 CO 0.04 -0.06 -0.00 -1.61 0.00 0.00 0.00 175.10 173.46 3g6e s GLU 125 N 1.30 3.70 -0.12 2.72 2.02 -0.87 -4.96 118.70 122.49 3g6e s GLU 125 Ca -0.03 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3g6e s GLU 125 Cb -0.19 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 3g6e s GLU 125 CO -0.01 0.30 -0.16 -1.50 0.02 0.00 0.00 175.26 173.91 3g6e s ILE 126 N 0.23 2.78 -0.63 -1.63 2.07 -1.26 -0.97 121.20 121.80 3g6e s ILE 126 Ca -0.00 -0.76 0.05 0.00 -1.41 0.00 0.00 60.65 58.53 3g6e s ILE 126 Cb -0.13 -2.15 0.20 0.00 0.13 0.00 0.00 42.46 40.51 3g6e s ILE 126 CO 0.02 0.53 0.55 -0.67 -1.91 0.00 0.00 174.94 173.46 3g6e n ASP 127 N 3.56 2.57 0.00 4.50 -0.08 0.09 -5.03 116.55 122.16 3g6e n ASP 127 Ca -0.18 -3.13 0.00 0.00 -1.51 0.00 0.00 54.79 49.96 3g6e n ASP 127 Cb 0.53 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.29 3g6e n ASP 127 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g6e n GLY 128 N 1.72 1.39 0.31 0.27 0.00 -1.26 -2.59 105.19 105.04 3g6e n GLY 128 Ca 0.24 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.60 3g6e n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g6e n GLU 129 N 0.00 1.00 -4.83 1.61 -0.58 -1.26 -4.95 120.64 111.62 3g6e n GLU 129 Ca 0.00 -0.63 -0.33 0.00 -0.42 0.00 0.00 57.16 55.78 3g6e n GLU 129 Cb 0.00 -1.44 -0.13 0.00 -0.57 0.00 0.00 31.44 29.30 3g6e n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3g6e s GLU 130 N -2.54 2.66 -0.02 3.49 2.02 -1.07 -2.23 118.70 121.01 3g6e s GLU 130 Ca 0.14 -0.67 0.06 0.00 0.02 0.00 0.00 54.97 54.52 3g6e s GLU 130 Cb 0.16 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 3g6e s GLU 130 CO 0.64 0.58 -0.20 -0.51 0.02 0.00 0.00 175.26 175.78 3g6e s LEU 131 N -0.60 2.03 -0.23 1.80 1.02 0.50 -0.73 118.68 122.47 3g6e s LEU 131 Ca 0.09 -0.37 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 3g6e s LEU 131 Cb -0.11 -1.05 0.06 0.00 0.02 0.00 0.00 46.19 45.11 3g6e s LEU 131 CO 0.01 0.24 -0.03 0.28 0.02 0.00 0.00 176.35 176.88 3g6e s THR 132 N -0.42 1.28 -0.16 5.49 -1.32 -0.14 0.37 115.64 120.73 3g6e s THR 132 Ca 0.06 -1.07 -0.23 0.00 -1.21 0.00 0.00 61.69 59.25 3g6e s THR 132 Cb -0.08 -1.61 -0.02 0.00 -1.51 0.00 0.00 72.50 69.27 3g6e s THR 132 CO -0.00 -0.14 0.71 -0.69 -2.21 0.00 0.00 174.62 172.28 3g6e s VAL 133 N 1.51 4.98 0.02 5.08 1.01 -0.01 -2.04 120.40 130.95 3g6e s VAL 133 Ca -0.04 1.38 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 3g6e s VAL 133 Cb -0.18 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3g6e s VAL 133 CO -0.07 0.11 0.05 -0.94 0.00 0.00 0.00 175.10 174.25 3g6e s SER 134 N 1.10 0.18 0.00 3.32 1.04 0.19 -0.72 113.70 118.81 3g6e s SER 134 Ca 0.33 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3g6e s SER 134 Cb -0.16 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3g6e s SER 134 CO 0.12 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.56 3g6e n GLY 135 N 1.25 0.07 0.11 7.32 0.00 -0.90 -0.07 105.19 112.98 3g6e n GLY 135 Ca -0.22 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 3g6e n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6e h PRO 136 N 0.00 0.32 -5.76 1.61 0.13 -1.81 -1.13 132.00 125.36 3g6e h PRO 136 Ca 0.00 -0.54 -0.62 0.00 -0.87 0.00 0.00 66.00 63.97 3g6e h PRO 136 Cb 0.00 0.20 -0.12 0.00 0.13 0.00 0.00 31.00 31.21 3g6e h PRO 136 CO 0.00 1.26 0.35 0.34 -0.23 0.00 0.00 178.00 179.72 3g6e s ASP 137 N -7.23 6.50 0.42 1.44 2.15 -1.26 -4.28 116.67 114.41 3g6e s ASP 137 Ca -0.05 0.21 0.12 0.00 0.43 0.00 0.00 52.55 53.26 3g6e s ASP 137 Cb 0.07 -2.39 0.91 0.00 -0.30 0.00 0.00 42.92 41.21 3g6e s ASP 137 CO 0.90 -0.77 1.97 -0.29 -0.17 0.00 0.00 175.17 176.81 3g6e h ILE 138 N 5.81 1.14 -0.27 4.11 2.10 -1.88 -1.31 117.51 127.22 3g6e h ILE 138 Ca -0.25 -0.62 -0.01 0.00 1.08 0.00 0.00 64.86 65.05 3g6e h ILE 138 Cb 1.09 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 38.01 3g6e h ILE 138 CO 0.92 0.19 0.11 -0.33 -1.08 0.00 0.00 178.15 177.96 3g6e h GLU 139 N 0.14 0.40 -0.28 2.19 4.39 -1.99 0.16 114.58 119.59 3g6e h GLU 139 Ca 0.03 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 3g6e h GLU 139 Cb 0.30 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3g6e h GLU 139 CO 0.02 0.42 -0.34 0.00 -1.16 0.00 0.00 179.01 177.95 3g6e h ALA 140 N 0.95 0.42 -0.13 3.43 0.00 -1.77 -2.73 119.26 119.44 3g6e h ALA 140 Ca 0.09 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3g6e h ALA 140 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3g6e h ALA 140 CO -0.01 0.48 -0.34 0.28 0.00 0.00 0.00 179.25 179.66 3g6e h VAL 141 N 0.47 1.37 -0.58 0.00 2.07 -1.20 -1.85 116.25 116.53 3g6e h VAL 141 Ca 0.04 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 3g6e h VAL 141 Cb 0.92 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 3g6e h VAL 141 CO 0.08 0.49 0.33 1.23 0.02 0.00 0.00 177.57 179.72 3g6e h GLY 142 N 0.07 0.85 0.50 2.17 0.00 -0.75 -1.29 103.07 104.61 3g6e h GLY 142 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3g6e h GLY 142 CO 0.07 0.35 -0.25 1.46 0.00 0.00 0.00 176.54 178.17 3g6e h GLN 143 N 0.81 0.19 -0.52 4.80 1.08 -1.48 -2.04 115.11 117.95 3g6e h GLN 143 Ca 0.21 -0.19 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 3g6e h GLN 143 Cb 0.01 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 3g6e h GLN 143 CO -0.04 0.90 0.35 1.15 -0.95 0.00 0.00 178.83 180.24 3g6e h THR 144 N -0.44 1.06 0.01 -0.54 2.02 -1.15 0.90 112.91 114.76 3g6e h THR 144 Ca -0.03 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3g6e h THR 144 Cb 0.98 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3g6e h THR 144 CO 0.05 0.11 -0.01 0.00 0.37 0.00 0.00 175.52 176.04 3g6e h ALA 145 N 1.70 -0.01 -0.75 6.16 0.00 -1.26 -2.81 119.26 122.28 3g6e h ALA 145 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3g6e h ALA 145 Cb 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3g6e h ALA 145 CO -0.05 -0.27 0.39 0.00 0.00 0.00 0.00 179.25 179.31 3g6e h ALA 146 N 0.49 0.96 -0.40 0.00 0.00 -0.53 -2.31 119.26 117.46 3g6e h ALA 146 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3g6e h ALA 146 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3g6e h ALA 146 CO 0.00 0.49 0.27 -0.44 0.00 0.00 0.00 179.25 179.57 3g6e h ASP 147 N 1.04 0.35 -0.19 0.00 5.19 0.80 0.12 116.42 123.72 3g6e h ASP 147 Ca 0.26 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.53 3g6e h ASP 147 Cb 0.07 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3g6e h ASP 147 CO -0.04 0.24 -0.42 0.40 -3.12 0.00 0.00 179.24 176.30 3g6e h ILE 148 N 0.40 1.33 -0.53 0.35 2.04 -1.15 -0.94 117.51 119.01 3g6e h ILE 148 Ca 0.17 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 64.26 3g6e h ILE 148 Cb 0.16 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3g6e h ILE 148 CO -0.04 0.51 -0.11 -0.08 0.00 0.00 0.00 178.15 178.43 3g6e h GLU 149 N 0.30 1.01 0.00 2.37 4.81 -1.07 -2.65 114.58 119.36 3g6e h GLU 149 Ca 0.00 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3g6e h GLU 149 Cb 1.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3g6e h GLU 149 CO 0.09 1.06 -0.19 1.96 -0.73 0.00 0.00 179.01 181.20 3g6e h GLN 150 N 0.89 0.00 0.00 1.92 1.08 -0.80 -3.01 115.11 115.19 3g6e h GLN 150 Ca 0.14 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3g6e h GLN 150 Cb 0.68 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3g6e h GLN 150 CO 0.05 0.19 -0.16 1.25 -0.95 0.00 0.00 178.83 179.21 3g6e h LEU 151 N 0.00 0.00 -3.78 1.46 5.85 -0.78 -2.32 115.31 115.73 3g6e h LEU 151 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 3g6e h LEU 151 Cb 0.64 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.47 3g6e h LEU 151 CO 0.03 0.16 0.38 0.35 -0.34 0.00 0.00 178.44 179.02 3g6e n THR 152 N -3.89 2.98 -2.11 1.05 -2.24 -1.14 -4.99 114.28 103.94 3g6e n THR 152 Ca -0.02 -1.92 -0.41 0.00 -2.27 0.00 0.00 64.05 59.43 3g6e n THR 152 Cb 0.26 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 3g6e n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g6e s ARG 153 N -3.15 4.33 -0.17 -0.78 3.52 -0.88 -4.90 118.95 116.92 3g6e s ARG 153 Ca 0.54 2.19 -0.00 0.00 -0.13 0.00 0.00 55.73 58.33 3g6e s ARG 153 Cb 0.45 -3.13 0.04 0.00 -1.56 0.00 0.00 34.95 30.75 3g6e s ARG 153 CO 0.10 -0.31 -0.06 -1.50 -0.81 0.00 0.00 175.30 172.72 3g6e s ILE 154 N -0.20 1.21 -0.17 4.11 2.07 -1.26 -5.00 121.20 121.96 3g6e s ILE 154 Ca 0.56 -0.70 0.13 0.00 -1.41 0.00 0.00 60.65 59.23 3g6e s ILE 154 Cb -0.39 -1.37 -0.19 0.00 0.13 0.00 0.00 42.46 40.63 3g6e s ILE 154 CO 0.43 0.13 0.03 0.59 -1.91 0.00 0.00 174.94 174.21 3g6e n ASN 155 N 4.84 1.16 -0.04 4.50 3.02 -1.26 -4.70 115.26 122.77 3g6e n ASN 155 Ca -0.12 -0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.28 3g6e n ASN 155 Cb 0.47 0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 40.32 3g6e n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3g6e h ASP 156 N 0.00 0.30 -2.11 6.41 2.03 -2.05 -3.47 116.42 117.54 3g6e h ASP 156 Ca -0.44 -0.51 -0.52 0.00 -0.73 0.00 0.00 57.03 54.82 3g6e h ASP 156 Cb 1.97 -0.09 -0.06 0.00 -0.83 0.00 0.00 39.33 40.32 3g6e h ASP 156 CO 0.01 0.76 -0.54 -0.54 -1.03 0.00 0.00 179.24 177.90 3g6e s LYS 157 N -4.17 2.69 -0.02 4.15 1.02 -1.26 -5.07 119.74 117.08 3g6e s LYS 157 Ca -0.15 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 3g6e s LYS 157 Cb 0.04 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.84 3g6e s LYS 157 CO 0.74 0.31 2.00 -3.47 -0.92 0.00 0.00 175.35 174.01 3g6e n ASP 158 N -1.14 3.91 0.26 2.83 -0.08 -1.26 -4.89 116.55 116.17 3g6e n ASP 158 Ca -0.06 0.81 0.13 0.00 -1.51 0.00 0.00 54.79 54.16 3g6e n ASP 158 Cb 0.59 -1.50 0.69 0.00 2.34 0.00 0.00 41.12 43.23 3g6e n ASP 158 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3g6e h VAL 159 N 5.85 0.48 -0.01 5.18 2.07 -1.88 -1.76 116.25 126.18 3g6e h VAL 159 Ca -0.48 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.27 3g6e h VAL 159 Cb 1.25 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3g6e h VAL 159 CO 0.95 0.13 -0.59 0.03 0.02 0.00 0.00 177.57 178.10 3g6e h ARG 160 N 0.00 0.03 0.05 1.57 3.08 -2.01 -3.25 114.38 113.85 3g6e h ARG 160 Ca -0.00 -0.02 -0.38 0.00 0.07 0.00 0.00 59.98 59.65 3g6e h ARG 160 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 3g6e h ARG 160 CO 0.02 0.61 -2.28 0.28 -1.07 0.00 0.00 179.97 177.53 3g6e n VAL 161 N -3.85 1.60 -3.22 2.04 0.31 -1.12 -4.62 118.33 109.47 3g6e n VAL 161 Ca -0.01 -0.58 -0.44 0.00 -0.01 0.00 0.00 64.34 63.29 3g6e n VAL 161 Cb 0.59 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 3g6e n VAL 161 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3g6e n PHE 162 N -3.41 4.37 1.11 3.52 3.01 -0.68 -4.84 117.46 120.54 3g6e n PHE 162 Ca -0.41 -3.50 0.08 0.00 1.01 0.00 0.00 57.45 54.64 3g6e n PHE 162 Cb 1.00 -1.59 0.29 0.00 -0.01 0.00 0.00 39.48 39.17 3g6e n PHE 162 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3g6e n GLN 163 N 2.34 1.74 -1.78 -1.08 6.02 -1.23 -4.60 117.38 118.79 3g6e n GLN 163 Ca 0.25 -1.12 -0.40 0.00 -0.01 0.00 0.00 57.00 55.72 3g6e n GLN 163 Cb 0.37 -1.34 0.02 0.00 1.02 0.00 0.00 30.24 30.31 3g6e n GLN 163 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3g6e s ASP 164 N -1.33 5.93 0.00 1.08 1.11 -1.26 -4.89 116.67 117.31 3g6e s ASP 164 Ca 0.28 2.96 0.00 0.00 0.18 0.00 0.00 52.55 55.97 3g6e s ASP 164 Cb 0.15 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.48 3g6e s ASP 164 CO 0.22 -1.15 0.00 0.61 1.18 0.00 0.00 175.17 176.03 3g6e n GLY 165 N 0.55 2.97 3.64 0.21 0.00 -0.22 -4.99 105.19 107.36 3g6e n GLY 165 Ca 0.04 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 3g6e n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 166 N -2.00 5.20 0.18 1.61 1.01 -1.26 -1.57 120.40 123.57 3g6e s VAL 166 Ca 0.00 0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.68 3g6e s VAL 166 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3g6e s VAL 166 CO 0.00 0.22 -0.15 -0.31 0.00 0.00 0.00 175.10 174.86 3g6e s TYR 167 N 1.60 2.51 -0.04 5.22 1.51 -0.42 -4.15 117.35 123.57 3g6e s TYR 167 Ca 0.16 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 3g6e s TYR 167 Cb -0.15 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 3g6e s TYR 167 CO 0.08 0.51 1.17 0.42 -1.11 0.00 0.00 175.55 176.62 3g6e s ILE 168 N -1.68 4.31 -0.23 2.71 -1.09 -1.26 -1.50 121.20 122.45 3g6e s ILE 168 Ca 0.23 1.63 -0.07 0.00 -2.23 0.00 0.00 60.65 60.22 3g6e s ILE 168 Cb -0.08 -4.05 -0.12 0.00 -1.58 0.00 0.00 42.46 36.63 3g6e s ILE 168 CO 0.13 0.02 -0.26 0.41 -1.23 0.00 0.00 174.94 174.01 3g6e n THR 169 N 4.50 1.28 -4.88 2.92 -1.04 0.14 -4.92 114.28 112.28 3g6e n THR 169 Ca 0.10 -0.39 -0.31 0.00 -2.04 0.00 0.00 64.05 61.42 3g6e n THR 169 Cb 0.47 -1.61 -0.17 0.00 -1.82 0.00 0.00 70.33 67.20 3g6e n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3g6e s ARG 170 N -2.43 2.75 -0.13 -2.82 0.52 -0.81 -4.96 118.95 111.07 3g6e s ARG 170 Ca -0.32 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.11 3g6e s ARG 170 Cb 0.11 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 3g6e s ARG 170 CO 0.45 0.07 -0.09 0.15 0.02 0.00 0.00 175.30 175.91 3g6e s LYS 171 N 0.60 3.35 0.00 3.54 1.02 -1.26 -1.98 119.74 125.01 3g6e s LYS 171 Ca -0.13 -0.60 0.26 0.00 0.02 0.00 0.00 55.97 55.51 3g6e s LYS 171 Cb -0.17 -2.72 1.53 0.00 -0.52 0.00 0.00 37.83 35.95 3g6e s LYS 171 CO 0.04 0.32 1.88 -0.35 -0.92 0.00 0.00 175.35 176.32