#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfd s VAL 2 N 0.00 3.56 -0.05 3.84 1.01 -1.26 -4.01 120.40 123.49 1nfd s VAL 2 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.00 1nfd s VAL 2 Cb 0.00 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1nfd s VAL 2 CO 0.00 0.01 -0.17 -0.31 0.00 0.00 0.00 175.10 174.63 1nfd s TYR 3 N 2.26 1.72 -0.17 5.22 1.51 0.88 -4.95 117.35 123.82 1nfd s TYR 3 Ca 0.65 -0.53 -0.01 0.00 -1.01 0.00 0.00 57.07 56.18 1nfd s TYR 3 Cb -0.33 -1.17 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1nfd s TYR 3 CO 0.28 -0.20 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.97 1nfd s LEU 4 N 0.15 1.58 -0.25 -1.29 1.43 -1.26 -1.25 118.68 117.80 1nfd s LEU 4 Ca -0.06 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1nfd s LEU 4 Cb -0.13 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.27 1nfd s LEU 4 CO 0.03 -0.20 -0.11 -0.69 0.23 0.00 0.00 176.35 175.61 1nfd s VAL 5 N 1.66 2.03 0.35 -1.59 1.01 -0.95 -3.71 120.40 119.20 1nfd s VAL 5 Ca 0.00 -1.48 -0.24 0.00 0.00 0.00 0.00 61.98 60.26 1nfd s VAL 5 Cb -0.15 -2.14 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 1nfd s VAL 5 CO -0.08 0.01 0.94 -1.61 0.00 0.00 0.00 175.10 174.37 1nfd s GLU 6 N 1.18 4.47 -0.22 2.72 8.01 -1.26 -0.91 118.70 132.69 1nfd s GLU 6 Ca -0.07 1.25 -0.18 0.00 0.01 0.00 0.00 54.97 55.99 1nfd s GLU 6 Cb -0.19 -2.61 0.06 0.00 -4.31 0.00 0.00 34.13 27.08 1nfd s GLU 6 CO -0.06 0.19 0.57 -1.54 0.01 0.00 0.00 175.26 174.42 1nfd s SER 7 N -1.79 -0.64 0.00 -0.19 1.04 0.04 -4.74 113.70 107.42 1nfd s SER 7 Ca 0.54 1.17 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1nfd s SER 7 Cb -0.16 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1nfd s SER 7 CO 0.20 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1nfd n GLY 8 N 3.23 1.24 3.18 7.32 0.00 -1.26 0.14 105.19 119.05 1nfd n GLY 8 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1nfd n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfd n GLY 9 N 0.00 -3.25 0.00 -0.02 0.00 -1.26 -4.72 105.19 95.95 1nfd n GLY 9 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1nfd n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nfd n ASP 10 N 1.13 0.00 -4.63 1.61 2.03 0.33 -4.91 116.55 112.11 1nfd n ASP 10 Ca 0.01 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.92 1nfd n ASP 10 Cb 0.58 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 1nfd n ASP 10 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1nfd s LEU 11 N 0.00 4.06 0.03 -2.67 0.05 -1.26 -1.17 118.68 117.73 1nfd s LEU 11 Ca 0.00 0.67 0.01 0.00 0.05 0.00 0.00 54.13 54.86 1nfd s LEU 11 Cb 0.00 -2.81 -0.02 0.00 -2.05 0.00 0.00 46.19 41.31 1nfd s LEU 11 CO 0.00 -0.34 -0.04 0.68 -0.55 0.00 0.00 176.35 176.09 1nfd s VAL 12 N 2.42 0.25 0.46 1.48 -7.23 0.32 -4.92 120.40 113.17 1nfd s VAL 12 Ca 0.25 -0.91 -0.25 0.00 -1.81 0.00 0.00 61.98 59.26 1nfd s VAL 12 Cb -0.16 -0.36 -0.08 0.00 0.56 0.00 0.00 36.38 36.35 1nfd s VAL 12 CO 0.09 -0.43 1.37 -1.10 -0.31 0.00 0.00 175.10 174.71 1nfd s GLN 13 N -1.41 3.64 0.79 4.82 -1.52 -1.25 -2.32 119.66 122.40 1nfd s GLN 13 Ca -0.13 2.28 -0.16 0.00 -1.95 0.00 0.00 55.36 55.40 1nfd s GLN 13 Cb -0.09 -2.58 -0.04 0.00 -0.22 0.00 0.00 33.01 30.07 1nfd s GLN 13 CO -0.01 -0.80 0.31 -2.30 -0.25 0.00 0.00 175.29 172.24 1nfd n PRO 14 N -0.31 0.12 -0.53 2.91 -0.02 -1.26 -2.14 135.00 133.76 1nfd n PRO 14 Ca 0.06 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1nfd n PRO 14 Cb 0.43 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1nfd n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nfd n GLY 15 N 1.88 1.18 0.00 -1.23 0.00 0.48 -4.88 105.19 102.63 1nfd n GLY 15 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1nfd n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nfd n SER 16 N 0.00 -0.06 -3.68 1.61 2.88 -0.91 -3.58 113.62 109.88 1nfd n SER 16 Ca 0.00 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 1nfd n SER 16 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1nfd n SER 16 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1nfd s SER 17 N -1.66 -0.28 -0.02 -3.46 0.01 -1.25 -1.15 113.70 105.88 1nfd s SER 17 Ca 0.00 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.14 1nfd s SER 17 Cb 0.00 0.92 -0.00 0.00 0.21 0.00 0.00 66.02 67.15 1nfd s SER 17 CO 0.00 -0.21 -0.09 -0.22 0.41 0.00 0.00 173.24 173.13 1nfd s LEU 18 N 1.94 1.86 -0.34 2.44 0.20 0.18 -4.95 118.68 120.02 1nfd s LEU 18 Ca -0.05 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.61 1nfd s LEU 18 Cb -0.10 -0.54 0.10 0.00 -0.43 0.00 0.00 46.19 45.22 1nfd s LEU 18 CO -0.12 0.08 0.07 -0.75 -0.29 0.00 0.00 176.35 175.35 1nfd s LYS 19 N 0.05 1.27 0.04 1.98 2.20 -1.24 0.42 119.74 124.46 1nfd s LYS 19 Ca -0.01 -1.67 -0.08 0.00 -0.36 0.00 0.00 55.97 53.85 1nfd s LYS 19 Cb -0.07 -2.85 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 1nfd s LYS 19 CO 0.00 -0.96 0.33 0.08 -0.36 0.00 0.00 175.35 174.44 1nfd s VAL 20 N 1.06 5.20 0.38 4.02 1.01 -0.61 -4.79 120.40 126.68 1nfd s VAL 20 Ca 0.11 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1nfd s VAL 20 Cb -0.19 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1nfd s VAL 20 CO -0.13 0.33 0.17 -0.94 0.00 0.00 0.00 175.10 174.54 1nfd s SER 21 N -1.72 4.58 -0.08 3.32 1.04 0.37 -0.18 113.70 121.03 1nfd s SER 21 Ca 0.30 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 1nfd s SER 21 Cb -0.14 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.41 1nfd s SER 21 CO 0.17 -0.43 -0.02 0.00 0.98 0.00 0.00 173.24 173.94 1nfd s ALA 23 N 1.85 3.76 0.03 0.00 0.00 -0.09 -2.95 121.76 124.36 1nfd s ALA 23 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1nfd s ALA 23 Cb -0.12 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1nfd s ALA 23 CO -0.06 0.17 -0.06 0.00 0.00 0.00 0.00 175.76 175.81 1nfd s ALA 24 N -2.12 0.46 -0.27 0.00 0.00 -1.15 -2.25 121.76 116.43 1nfd s ALA 24 Ca 0.39 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 1nfd s ALA 24 Cb -0.10 0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.18 1nfd s ALA 24 CO 0.32 -0.03 1.01 0.45 0.00 0.00 0.00 175.76 177.51 1nfd s SER 25 N -1.35 -0.46 0.00 0.00 0.15 -0.38 -4.97 113.70 106.69 1nfd s SER 25 Ca -0.09 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1nfd s SER 25 Cb -0.09 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1nfd s SER 25 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1nfd n GLY 26 N 2.07 1.14 0.00 9.45 0.00 -1.26 0.30 105.19 116.89 1nfd n GLY 26 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1nfd n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1nfd n PHE 27 N -1.68 0.00 -2.73 1.61 -1.74 -1.26 -4.34 117.46 107.32 1nfd n PHE 27 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 1nfd n PHE 27 Cb 0.00 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 40.99 1nfd n PHE 27 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1nfd s THR 28 N -2.00 4.44 0.63 1.97 -4.23 -1.26 -4.80 115.64 110.40 1nfd s THR 28 Ca 0.00 -1.91 0.17 0.00 -1.18 0.00 0.00 61.69 58.77 1nfd s THR 28 Cb 0.00 -5.04 0.23 0.00 1.34 0.00 0.00 72.50 69.03 1nfd s THR 28 CO 0.00 -1.82 1.34 0.15 -0.54 0.00 0.00 174.62 173.74 1nfd h PHE 29 N 7.97 0.00 0.52 3.99 3.57 -1.96 -2.26 116.94 128.76 1nfd h PHE 29 Ca 0.33 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1nfd h PHE 29 Cb 0.91 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1nfd h PHE 29 CO 1.27 0.00 -0.47 1.03 -2.23 0.00 0.00 178.31 177.91 1nfd h SER 30 N 0.00 -1.28 -0.61 0.41 0.87 -1.97 -3.22 113.55 107.75 1nfd h SER 30 Ca 0.20 0.10 -0.35 0.00 -1.23 0.00 0.00 61.79 60.51 1nfd h SER 30 Cb 2.07 0.42 -0.13 0.00 -0.44 0.00 0.00 62.40 64.31 1nfd h SER 30 CO -0.00 -0.65 0.24 -0.90 -0.53 0.00 0.00 176.83 174.99 1nfd n ASP 31 N -5.56 6.18 -3.82 6.23 5.75 -0.85 -4.82 116.55 119.66 1nfd n ASP 31 Ca -0.12 -2.98 -0.12 0.00 -0.01 0.00 0.00 54.79 51.56 1nfd n ASP 31 Cb 0.45 -1.20 -0.13 0.00 -1.03 0.00 0.00 41.12 39.22 1nfd n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1nfd s PHE 32 N -1.17 -0.17 0.09 2.11 0.08 -1.22 -4.29 117.98 113.41 1nfd s PHE 32 Ca 0.46 0.41 -0.11 0.00 0.12 0.00 0.00 56.93 57.81 1nfd s PHE 32 Cb 0.30 0.06 -0.06 0.00 -0.57 0.00 0.00 43.02 42.74 1nfd s PHE 32 CO -0.10 -0.08 0.43 -1.58 -0.10 0.00 0.00 175.22 173.80 1nfd s TRP 33 N 0.08 3.60 0.21 0.36 0.51 -0.14 -4.44 118.94 119.13 1nfd s TRP 33 Ca -0.00 0.86 0.10 0.00 -2.12 0.00 0.00 56.10 54.94 1nfd s TRP 33 Cb -0.01 -2.22 -0.04 0.00 -0.81 0.00 0.00 33.47 30.39 1nfd s TRP 33 CO 0.00 0.51 -0.11 -1.64 -0.51 0.00 0.00 176.95 175.20 1nfd s MET 34 N -1.87 1.98 0.18 4.98 -1.94 -1.09 -0.87 119.30 120.66 1nfd s MET 34 Ca 0.33 -1.38 0.02 0.00 -1.71 0.00 0.00 55.69 52.95 1nfd s MET 34 Cb -0.14 -2.07 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 1nfd s MET 34 CO 0.18 0.41 0.01 0.71 -0.01 0.00 0.00 175.02 176.31 1nfd s TYR 35 N -1.88 1.22 0.07 -0.03 1.51 -1.12 -0.77 117.35 116.33 1nfd s TYR 35 Ca 0.26 -1.03 0.10 0.00 -1.01 0.00 0.00 57.07 55.39 1nfd s TYR 35 Cb -0.08 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.05 1nfd s TYR 35 CO 0.15 -0.22 -0.26 -1.58 -1.11 0.00 0.00 175.55 172.53 1nfd s TRP 36 N -3.67 2.26 -0.22 2.71 0.52 0.14 -2.62 118.94 118.07 1nfd s TRP 36 Ca 0.24 -0.40 -0.09 0.00 0.02 0.00 0.00 56.10 55.87 1nfd s TRP 36 Cb 0.06 -1.32 0.09 0.00 -1.15 0.00 0.00 33.47 31.15 1nfd s TRP 36 CO 0.04 0.18 0.49 0.08 0.02 0.00 0.00 176.95 177.77 1nfd s VAL 37 N -0.88 -0.42 0.50 4.03 1.01 0.27 -1.05 120.40 123.86 1nfd s VAL 37 Ca 0.12 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1nfd s VAL 37 Cb -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1nfd s VAL 37 CO 0.03 0.04 0.45 0.00 0.00 0.00 0.00 175.10 175.62 1nfd s ARG 38 N 2.15 2.37 -0.26 2.72 1.70 -0.35 0.31 118.95 127.58 1nfd s ARG 38 Ca -0.06 -1.77 -0.12 0.00 -0.47 0.00 0.00 55.73 53.31 1nfd s ARG 38 Cb -0.10 -2.29 0.09 0.00 -0.57 0.00 0.00 34.95 32.08 1nfd s ARG 38 CO -0.15 -0.48 0.60 -1.14 -1.08 0.00 0.00 175.30 173.05 1nfd s GLN 39 N -4.28 0.57 0.34 3.89 0.74 -0.80 -1.53 119.66 118.60 1nfd s GLN 39 Ca 0.44 1.22 -0.24 0.00 0.05 0.00 0.00 55.36 56.83 1nfd s GLN 39 Cb -0.03 0.38 -0.10 0.00 1.10 0.00 0.00 33.01 34.36 1nfd s GLN 39 CO 0.27 -0.18 0.92 0.00 -0.55 0.00 0.00 175.29 175.75 1nfd s ALA 40 N 2.14 3.19 0.00 1.58 0.00 -1.26 -2.34 121.76 125.08 1nfd s ALA 40 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1nfd s ALA 40 Cb -0.09 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1nfd s ALA 40 CO -0.18 0.18 0.08 -2.30 0.00 0.00 0.00 175.76 173.54 1nfd n PRO 41 N 0.32 0.00 0.00 0.00 -0.02 -1.26 -0.03 135.00 134.01 1nfd n PRO 41 Ca 0.03 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.72 1nfd n PRO 41 Cb 0.51 -0.16 0.49 0.00 -0.02 0.00 0.00 33.50 34.32 1nfd n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nfd n GLY 42 N -0.58 -0.84 3.85 -1.23 0.00 -1.26 -4.91 105.19 100.22 1nfd n GLY 42 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1nfd n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfd s LYS 43 N -2.54 3.45 0.09 1.61 3.01 0.96 -5.07 119.74 121.25 1nfd s LYS 43 Ca 0.25 0.85 -0.01 0.00 -1.01 0.00 0.00 55.97 56.05 1nfd s LYS 43 Cb 0.19 -2.06 0.02 0.00 -1.01 0.00 0.00 37.83 34.98 1nfd s LYS 43 CO 0.51 -0.68 0.10 0.41 0.51 0.00 0.00 175.35 176.19 1nfd n GLY 44 N -2.32 -1.80 3.74 -3.33 0.00 -1.26 -4.25 105.19 95.96 1nfd n GLY 44 Ca 0.07 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1nfd n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nfd s LEU 45 N 0.00 4.51 -0.09 0.99 1.43 -1.26 -4.12 118.68 120.14 1nfd s LEU 45 Ca 0.06 2.05 -0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1nfd s LEU 45 Cb -0.00 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1nfd s LEU 45 CO 0.04 -0.16 -0.05 -0.70 0.23 0.00 0.00 176.35 175.71 1nfd s GLU 46 N -0.49 1.19 0.16 1.70 2.12 -0.58 -5.03 118.70 117.76 1nfd s GLU 46 Ca 0.48 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 1nfd s GLU 46 Cb -0.28 -1.32 -0.08 0.00 0.26 0.00 0.00 34.13 32.71 1nfd s GLU 46 CO 0.34 -0.25 1.17 -0.46 -0.54 0.00 0.00 175.26 175.53 1nfd s TRP 47 N 1.67 3.48 -0.18 5.30 -0.00 -1.26 -1.22 118.94 126.73 1nfd s TRP 47 Ca 0.03 1.46 -0.17 0.00 -0.00 0.00 0.00 56.10 57.42 1nfd s TRP 47 Cb -0.13 -3.38 -0.06 0.00 -0.00 0.00 0.00 33.47 29.90 1nfd s TRP 47 CO -0.06 -1.04 -0.32 0.28 -0.00 0.00 0.00 176.95 175.81 1nfd n VAL 48 N 2.69 1.49 -3.94 5.86 0.31 -0.21 -4.60 118.33 119.92 1nfd n VAL 48 Ca 0.05 0.10 -0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1nfd n VAL 48 Cb 0.45 -2.31 0.02 0.00 -0.91 0.00 0.00 33.84 31.09 1nfd n VAL 48 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1nfd s GLY 49 N -4.88 -0.01 0.05 2.92 0.00 -1.11 0.30 107.32 104.59 1nfd s GLY 49 Ca -0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.26 1nfd s GLY 49 CO 0.41 4.23 0.02 -1.60 0.00 0.00 0.00 173.10 176.16 1nfd s ARG 50 N -2.07 0.59 -0.16 2.90 3.52 0.03 0.25 118.95 124.00 1nfd s ARG 50 Ca 0.26 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 1nfd s ARG 50 Cb -0.02 0.21 0.06 0.00 -1.56 0.00 0.00 34.95 33.65 1nfd s ARG 50 CO 0.02 -0.13 0.11 -1.50 -0.81 0.00 0.00 175.30 172.99 1nfd s ILE 51 N -3.28 -0.13 1.23 4.11 2.07 0.05 -1.13 121.20 124.12 1nfd s ILE 51 Ca 0.01 -0.09 -0.18 0.00 -1.41 0.00 0.00 60.65 58.97 1nfd s ILE 51 Cb 0.03 -0.54 0.30 0.00 0.13 0.00 0.00 42.46 42.38 1nfd s ILE 51 CO -0.08 -0.22 1.05 -0.54 -1.91 0.00 0.00 174.94 173.24 1nfd s LYS 52 N 2.17 -1.44 0.00 3.50 1.02 0.22 -2.67 119.74 122.54 1nfd s LYS 52 Ca 0.03 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1nfd s LYS 52 Cb -0.16 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1nfd s LYS 52 CO -0.09 -3.91 0.00 0.27 -0.92 0.00 0.00 175.35 170.70 1nfd n ASN 52 N -4.95 0.00 -0.06 2.83 2.04 -1.26 -4.13 115.26 109.73 1nfd n ASN 52 Ca 0.10 -0.50 -0.14 0.00 -0.44 0.00 0.00 54.58 53.60 1nfd n ASN 52 Cb 0.59 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.77 1nfd n ASN 52 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 1nfd h ILE 52 N -0.44 1.34 0.00 1.53 2.10 -1.93 1.12 117.51 121.23 1nfd h ILE 52 Ca 0.00 -1.55 0.00 0.00 1.08 0.00 0.00 64.86 64.39 1nfd h ILE 52 Cb 0.00 1.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 1nfd h ILE 52 CO 0.00 0.47 0.02 -2.65 -1.08 0.00 0.00 178.15 174.91 1nfd n PRO 52 N -4.34 0.02 -0.60 2.19 -0.02 -1.26 0.02 135.00 131.01 1nfd n PRO 52 Ca -0.06 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 1nfd n PRO 52 Cb 0.49 -1.57 0.20 0.00 -0.02 0.00 0.00 33.50 32.60 1nfd n PRO 52 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nfd n ASN 53 N -1.57 2.37 -1.47 2.55 3.02 -1.10 -4.92 115.26 114.14 1nfd n ASN 53 Ca -0.00 -3.64 -0.18 0.00 -0.03 0.00 0.00 54.58 50.73 1nfd n ASN 53 Cb 0.02 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.55 1nfd n ASN 53 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1nfd n ASN 54 N -1.10 -5.22 -1.51 6.41 3.02 0.10 -1.78 115.26 115.18 1nfd n ASN 54 Ca 0.25 0.46 -0.14 0.00 -0.03 0.00 0.00 54.58 55.11 1nfd n ASN 54 Cb 0.86 -4.53 -0.06 0.00 -0.61 0.00 0.00 39.78 35.44 1nfd n ASN 54 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1nfd n TYR 55 N -2.28 -0.41 -1.25 3.10 4.01 0.38 -4.80 117.16 115.92 1nfd n TYR 55 Ca -0.18 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.09 1nfd n TYR 55 Cb 0.64 -2.74 -0.05 0.00 -0.31 0.00 0.00 39.34 36.88 1nfd n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nfd n ALA 56 N 0.37 -2.98 -2.50 -0.72 0.00 -0.73 -4.06 120.51 109.88 1nfd n ALA 56 Ca -0.15 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1nfd n ALA 56 Cb 0.49 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 1nfd n ALA 56 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nfd s THR 57 N -0.31 3.08 -0.07 0.00 -4.23 -1.26 -0.61 115.64 112.25 1nfd s THR 57 Ca 0.69 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1nfd s THR 57 Cb -0.98 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 70.58 1nfd s THR 57 CO 0.48 0.36 0.15 -0.70 -0.54 0.00 0.00 174.62 174.37 1nfd s GLU 58 N -1.42 0.11 0.12 3.99 2.56 -0.29 -4.98 118.70 118.79 1nfd s GLU 58 Ca 0.15 0.35 0.11 0.00 0.00 0.00 0.00 54.97 55.58 1nfd s GLU 58 Cb -0.11 -0.13 -0.04 0.00 2.00 0.00 0.00 34.13 35.86 1nfd s GLU 58 CO 0.06 -0.14 -0.27 0.71 -0.56 0.00 0.00 175.26 175.07 1nfd s TYR 59 N 0.97 2.29 1.30 5.30 2.02 -1.26 -0.79 117.35 127.18 1nfd s TYR 59 Ca -0.07 -0.38 -0.19 0.00 -0.37 0.00 0.00 57.07 56.05 1nfd s TYR 59 Cb -0.09 -1.25 0.32 0.00 -0.40 0.00 0.00 41.96 40.54 1nfd s TYR 59 CO -0.05 0.32 1.00 0.00 -1.57 0.00 0.00 175.55 175.25 1nfd s ALA 60 N -1.04 -0.31 0.13 3.71 0.00 0.15 -4.75 121.76 119.65 1nfd s ALA 60 Ca 0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 1nfd s ALA 60 Cb -0.10 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1nfd s ALA 60 CO 0.06 -4.12 1.37 -0.44 0.00 0.00 0.00 175.76 172.62 1nfd h ASP 61 N -2.99 0.88 0.00 0.00 3.32 -1.92 -2.60 116.42 113.11 1nfd h ASP 61 Ca -0.49 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.03 1nfd h ASP 61 Cb 1.33 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1nfd h ASP 61 CO 0.36 1.32 0.43 0.77 -1.72 0.00 0.00 179.24 180.41 1nfd h SER 62 N 0.54 0.00 0.00 6.45 4.64 -1.94 -2.92 113.55 120.32 1nfd h SER 62 Ca -0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1nfd h SER 62 Cb 1.30 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 1nfd h SER 62 CO 0.14 0.00 -0.41 1.33 -0.87 0.00 0.00 176.83 177.02 1nfd n VAL 63 N -2.49 0.00 -0.33 0.95 0.24 -1.22 -4.98 118.33 110.51 1nfd n VAL 63 Ca -0.01 -0.22 0.03 0.00 -2.04 0.00 0.00 64.34 62.10 1nfd n VAL 63 Cb 0.46 0.49 0.17 0.00 -1.47 0.00 0.00 33.84 33.49 1nfd n VAL 63 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1nfd h ARG 64 N 0.22 0.95 0.00 7.34 2.43 -1.26 -0.74 114.38 123.32 1nfd h ARG 64 Ca -0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1nfd h ARG 64 Cb 1.41 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1nfd h ARG 64 CO -0.09 0.63 -0.56 0.41 -1.51 0.00 0.00 179.97 178.84 1nfd n GLY 65 N -1.34 -1.24 0.01 2.80 0.00 -1.26 -4.53 105.19 99.64 1nfd n GLY 65 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 1nfd n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nfd n ARG 66 N -1.55 2.16 -3.24 1.61 1.85 -1.15 -5.03 116.66 111.30 1nfd n ARG 66 Ca 0.05 0.01 -0.36 0.00 -1.00 0.00 0.00 57.85 56.55 1nfd n ARG 66 Cb 0.34 -1.05 -0.06 0.00 -1.05 0.00 0.00 32.46 30.64 1nfd n ARG 66 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1nfd s PHE 67 N -2.05 3.64 0.02 2.89 0.40 -0.29 -3.10 117.98 119.49 1nfd s PHE 67 Ca -0.02 1.22 -0.06 0.00 -0.60 0.00 0.00 56.93 57.47 1nfd s PHE 67 Cb 0.01 -2.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 1nfd s PHE 67 CO 0.07 0.41 0.10 0.99 0.70 0.00 0.00 175.22 177.49 1nfd s THR 68 N -1.45 0.10 0.19 0.64 2.01 -0.48 -4.76 115.64 111.89 1nfd s THR 68 Ca 0.39 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.66 1nfd s THR 68 Cb -0.16 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1nfd s THR 68 CO 0.20 -0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 172.87 1nfd s ILE 69 N -1.72 2.73 -0.05 1.82 1.01 -1.26 -0.82 121.20 122.90 1nfd s ILE 69 Ca -0.12 -1.90 -0.10 0.00 0.00 0.00 0.00 60.65 58.53 1nfd s ILE 69 Cb -0.06 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.09 1nfd s ILE 69 CO -0.00 -0.14 0.23 -0.55 0.00 0.00 0.00 174.94 174.48 1nfd s SER 70 N -2.81 -0.16 0.08 3.58 0.15 -0.47 -4.93 113.70 109.14 1nfd s SER 70 Ca 0.23 0.21 0.08 0.00 0.70 0.00 0.00 55.95 57.17 1nfd s SER 70 Cb -0.08 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1nfd s SER 70 CO 0.13 -0.24 -0.17 -0.60 1.20 0.00 0.00 173.24 173.55 1nfd s ARG 71 N -0.61 1.95 -0.42 5.44 6.06 -1.26 0.24 118.95 130.34 1nfd s ARG 71 Ca -0.07 -1.07 0.05 0.00 -2.50 0.00 0.00 55.73 52.14 1nfd s ARG 71 Cb -0.04 -2.16 0.18 0.00 0.06 0.00 0.00 34.95 32.99 1nfd s ARG 71 CO 0.02 0.51 0.38 -3.47 -2.50 0.00 0.00 175.30 170.24 1nfd n ASP 72 N 1.16 -0.20 -0.31 -2.12 -0.08 0.49 -4.95 116.55 110.55 1nfd n ASP 72 Ca -0.16 -2.47 0.15 0.00 -1.51 0.00 0.00 54.79 50.81 1nfd n ASP 72 Cb 0.52 -0.58 0.39 0.00 2.34 0.00 0.00 41.12 43.80 1nfd n ASP 72 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1nfd h ASP 73 N 5.33 0.64 -0.13 1.67 3.32 -1.95 0.25 116.42 125.56 1nfd h ASP 73 Ca 0.23 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.39 1nfd h ASP 73 Cb 0.90 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1nfd h ASP 73 CO 0.40 0.24 0.35 0.28 -1.72 0.00 0.00 179.24 178.80 1nfd h SER 74 N 0.63 0.00 -0.00 6.45 0.02 -1.94 0.80 113.55 119.52 1nfd h SER 74 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1nfd h SER 74 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1nfd h SER 74 CO -0.29 0.00 -0.13 0.54 -1.14 0.00 0.00 176.83 175.80 1nfd n ARG 75 N -3.19 5.16 -2.89 3.45 5.12 0.65 -5.01 116.66 119.96 1nfd n ARG 75 Ca 0.01 -0.09 -0.10 0.00 -1.93 0.00 0.00 57.85 55.74 1nfd n ARG 75 Cb 0.44 -0.70 0.04 0.00 -1.16 0.00 0.00 32.46 31.08 1nfd n ARG 75 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1nfd n ASN 76 N -0.92 -3.19 -3.86 0.55 3.02 0.27 -4.76 115.26 106.37 1nfd n ASN 76 Ca 0.01 -0.29 -0.09 0.00 -0.03 0.00 0.00 54.58 54.18 1nfd n ASN 76 Cb 0.05 -2.77 -0.07 0.00 -0.61 0.00 0.00 39.78 36.39 1nfd n ASN 76 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nfd s SER 77 N -3.39 0.07 0.07 6.41 0.15 -1.01 -2.95 113.70 113.04 1nfd s SER 77 Ca 0.16 -0.68 0.06 0.00 0.70 0.00 0.00 55.95 56.19 1nfd s SER 77 Cb -0.07 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1nfd s SER 77 CO 0.36 -0.78 -0.16 0.27 1.20 0.00 0.00 173.24 174.13 1nfd s ILE 78 N -3.88 1.25 0.36 6.45 -4.36 -1.15 0.19 121.20 120.05 1nfd s ILE 78 Ca 0.08 -1.30 0.05 0.00 -0.26 0.00 0.00 60.65 59.22 1nfd s ILE 78 Cb 0.04 -1.17 -0.07 0.00 1.25 0.00 0.00 42.46 42.51 1nfd s ILE 78 CO -0.08 -0.14 0.04 -0.31 0.24 0.00 0.00 174.94 174.69 1nfd s TYR 79 N -1.16 2.19 -0.19 1.37 1.51 0.65 -1.33 117.35 120.39 1nfd s TYR 79 Ca 0.01 -0.84 -0.02 0.00 -1.01 0.00 0.00 57.07 55.21 1nfd s TYR 79 Cb -0.10 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 1nfd s TYR 79 CO 0.02 0.19 0.00 -1.17 -1.11 0.00 0.00 175.55 173.49 1nfd s LEU 80 N -3.58 1.46 -0.40 -1.29 2.96 0.74 -1.37 118.68 117.21 1nfd s LEU 80 Ca 0.36 -0.80 -0.16 0.00 -0.22 0.00 0.00 54.13 53.30 1nfd s LEU 80 Cb 0.09 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 46.05 1nfd s LEU 80 CO 0.17 -0.26 0.39 -1.10 -1.32 0.00 0.00 176.35 174.23 1nfd s GLN 81 N 1.75 3.20 -0.20 1.98 -1.52 -0.00 -1.57 119.66 123.30 1nfd s GLN 81 Ca -0.01 -0.71 -0.03 0.00 -1.95 0.00 0.00 55.36 52.66 1nfd s GLN 81 Cb -0.17 -3.93 -0.01 0.00 -0.22 0.00 0.00 33.01 28.69 1nfd s GLN 81 CO -0.07 -0.75 -0.08 -1.64 -0.25 0.00 0.00 175.29 172.50 1nfd s MET 82 N 2.03 3.34 0.46 2.91 -1.94 0.17 -1.38 119.30 124.89 1nfd s MET 82 Ca 0.11 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1nfd s MET 82 Cb -0.17 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.75 1nfd s MET 82 CO 0.13 -0.12 0.18 -0.80 -0.01 0.00 0.00 175.02 174.40 1nfd s ASN 82 N 1.23 4.37 -1.10 3.03 0.02 -1.18 0.52 114.94 121.83 1nfd s ASN 82 Ca 0.03 -1.24 -0.05 0.00 -1.02 0.00 0.00 52.86 50.57 1nfd s ASN 82 Cb -0.14 -0.10 0.01 0.00 0.02 0.00 0.00 41.25 41.03 1nfd s ASN 82 CO -0.03 -0.71 0.10 0.54 0.02 0.00 0.00 177.10 177.02 1nfd n ARG 82 N -1.33 -0.85 -2.02 -0.60 1.74 -0.30 -4.78 116.66 108.51 1nfd n ARG 82 Ca -0.05 0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 1nfd n ARG 82 Cb 0.65 -2.43 0.03 0.00 -1.02 0.00 0.00 32.46 29.69 1nfd n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nfd s LEU 82 N -6.38 3.75 0.12 0.55 1.43 -1.05 -4.60 118.68 112.51 1nfd s LEU 82 Ca 0.07 2.43 0.09 0.00 -1.03 0.00 0.00 54.13 55.69 1nfd s LEU 82 Cb -0.04 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1nfd s LEU 82 CO 0.74 -1.47 -0.22 -0.13 0.23 0.00 0.00 176.35 175.50 1nfd s ARG 83 N -3.16 1.20 0.26 1.70 0.52 -1.26 0.18 118.95 118.38 1nfd s ARG 83 Ca 0.74 -1.23 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1nfd s ARG 83 Cb -0.32 -1.47 0.47 0.00 0.52 0.00 0.00 34.95 34.16 1nfd s ARG 83 CO 0.35 0.34 1.62 0.28 0.02 0.00 0.00 175.30 177.91 1nfd h VAL 84 N 3.91 0.25 0.00 3.52 2.07 -1.97 1.38 116.25 125.42 1nfd h VAL 84 Ca -0.46 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1nfd h VAL 84 Cb 1.18 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1nfd h VAL 84 CO 0.41 0.01 0.00 -0.90 0.02 0.00 0.00 177.57 177.11 1nfd n ASP 85 N -5.41 0.00 -0.01 0.57 5.75 -1.26 0.63 116.55 116.82 1nfd n ASP 85 Ca 0.15 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 55.03 1nfd n ASP 85 Cb 0.51 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.45 1nfd n ASP 85 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1nfd n ASP 86 N -0.55 0.47 -4.58 -1.12 9.92 0.47 -4.92 116.55 116.24 1nfd n ASP 86 Ca 0.00 -0.24 -0.50 0.00 -0.53 0.00 0.00 54.79 53.52 1nfd n ASP 86 Cb 0.00 1.70 -0.06 0.00 -0.64 0.00 0.00 41.12 42.13 1nfd n ASP 86 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1nfd n THR 87 N -2.03 0.35 -3.72 -3.53 -1.04 0.20 -4.85 114.28 99.66 1nfd n THR 87 Ca -0.02 -0.20 -0.01 0.00 -2.04 0.00 0.00 64.05 61.79 1nfd n THR 87 Cb 0.48 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1nfd n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nfd s ALA 88 N 5.82 -1.99 -0.29 2.41 0.00 0.12 -4.60 121.76 123.22 1nfd s ALA 88 Ca 1.02 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1nfd s ALA 88 Cb -0.79 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1nfd s ALA 88 CO 0.51 -1.06 0.27 0.42 0.00 0.00 0.00 175.76 175.90 1nfd s ILE 89 N -2.65 5.25 -0.14 0.00 -1.09 -0.99 -0.76 121.20 120.82 1nfd s ILE 89 Ca 0.16 0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.61 1nfd s ILE 89 Cb 0.02 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1nfd s ILE 89 CO -0.01 0.14 0.50 -0.31 -1.23 0.00 0.00 174.94 174.04 1nfd s TYR 90 N 1.88 3.48 -0.05 3.97 1.51 -0.55 -1.90 117.35 125.69 1nfd s TYR 90 Ca 0.10 0.88 0.03 0.00 -1.01 0.00 0.00 57.07 57.07 1nfd s TYR 90 Cb -0.16 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 1nfd s TYR 90 CO 0.11 0.09 -0.14 0.71 -1.11 0.00 0.00 175.55 175.20 1nfd s TYR 91 N 0.93 2.71 -0.03 2.71 2.02 0.92 -2.65 117.35 123.95 1nfd s TYR 91 Ca 0.26 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.88 1nfd s TYR 91 Cb -0.15 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1nfd s TYR 91 CO 0.10 0.20 -0.23 0.00 -1.57 0.00 0.00 175.55 174.05 1nfd n THR 93 N 2.72 0.00 -3.83 0.00 5.66 -1.08 -3.00 114.28 114.75 1nfd n THR 93 Ca -0.17 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.74 1nfd n THR 93 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 1nfd n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nfd s ARG 94 N -0.64 0.83 -0.07 1.09 1.70 -1.26 -2.81 118.95 117.80 1nfd s ARG 94 Ca 0.00 -0.86 -0.03 0.00 -0.47 0.00 0.00 55.73 54.37 1nfd s ARG 94 Cb 0.00 0.34 0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1nfd s ARG 94 CO 0.00 -0.27 0.06 0.00 -1.08 0.00 0.00 175.30 174.02 1nfd s ALA 95 N -3.58 0.29 0.00 7.88 0.00 -0.05 -0.59 121.76 125.71 1nfd s ALA 95 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1nfd s ALA 95 Cb 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1nfd s ALA 95 CO -0.10 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1nfd n GLY 96 N 5.29 4.79 0.16 0.00 0.00 0.30 -0.96 105.19 114.77 1nfd n GLY 96 Ca -0.04 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.88 1nfd n GLY 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nfd h ARG 97 N 0.00 0.15 0.00 1.61 2.43 -2.02 -3.37 114.38 113.18 1nfd h ARG 97 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1nfd h ARG 97 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1nfd h ARG 97 CO 0.00 0.71 -0.38 1.19 -1.51 0.00 0.00 179.97 179.99 1nfd n PHE 98 N -3.85 0.00 -4.02 2.20 3.01 -1.26 -5.03 117.46 108.51 1nfd n PHE 98 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.10 1nfd n PHE 98 Cb 0.62 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.99 1nfd n PHE 98 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1nfd s ASP 99 N -1.01 5.60 -0.27 4.37 1.01 -1.26 -5.08 116.67 120.04 1nfd s ASP 99 Ca 0.00 0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.32 1nfd s ASP 99 Cb 0.00 -1.96 0.09 0.00 1.01 0.00 0.00 42.92 42.06 1nfd s ASP 99 CO 0.00 0.18 0.08 -1.00 0.21 0.00 0.00 175.17 174.64 1nfd s HIS 100 N 0.36 1.22 -1.21 4.23 3.76 -1.26 0.11 115.29 122.49 1nfd s HIS 100 Ca 0.03 -1.28 -0.08 0.00 -0.15 0.00 0.00 55.06 53.58 1nfd s HIS 100 Cb -0.12 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.25 1nfd s HIS 100 CO 0.00 -0.78 1.06 1.19 -0.85 0.00 0.00 174.74 175.36 1nfd n PHE 100 N 4.99 -2.58 -0.08 1.40 3.72 0.24 -4.94 117.46 120.21 1nfd n PHE 100 Ca -0.05 0.91 -0.12 0.00 -0.05 0.00 0.00 57.45 58.14 1nfd n PHE 100 Cb 0.44 -4.63 -0.08 0.00 -0.94 0.00 0.00 39.48 34.27 1nfd n PHE 100 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1nfd h ASP 101 N -2.42 0.00 -3.30 4.37 3.04 -1.90 -3.46 116.42 112.76 1nfd h ASP 101 Ca -0.51 -0.45 -0.59 0.00 -3.24 0.00 0.00 57.03 52.24 1nfd h ASP 101 Cb 1.33 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 39.52 1nfd h ASP 101 CO 0.50 1.01 -0.32 -0.31 -2.04 0.00 0.00 179.24 178.08 1nfd s TYR 102 N -2.14 3.46 0.03 4.15 1.51 -1.26 -5.07 117.35 118.03 1nfd s TYR 102 Ca -0.18 0.60 0.07 0.00 -1.01 0.00 0.00 57.07 56.55 1nfd s TYR 102 Cb 0.01 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1nfd s TYR 102 CO 0.43 0.23 -0.21 -1.58 -1.11 0.00 0.00 175.55 173.31 1nfd s TRP 103 N 0.50 1.86 0.86 2.71 0.52 -1.26 -3.98 118.94 120.15 1nfd s TRP 103 Ca 0.17 -0.37 -0.13 0.00 0.02 0.00 0.00 56.10 55.79 1nfd s TRP 103 Cb -0.13 -1.12 0.14 0.00 -1.15 0.00 0.00 33.47 31.20 1nfd s TRP 103 CO 0.04 0.07 1.22 0.20 0.02 0.00 0.00 176.95 178.50 1nfd s GLY 104 N -1.05 1.70 0.25 0.98 0.00 -1.16 -4.76 107.32 103.28 1nfd s GLY 104 Ca 0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 1nfd s GLY 104 CO 0.01 -0.38 1.83 -1.61 0.00 0.00 0.00 173.10 172.96 1nfd h GLN 105 N -1.25 1.05 0.00 2.90 5.75 -1.95 -3.46 115.11 118.16 1nfd h GLN 105 Ca -0.45 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 57.88 1nfd h GLN 105 Cb 1.28 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1nfd h GLN 105 CO 0.51 0.85 0.00 0.41 -2.65 0.00 0.00 178.83 177.95 1nfd n GLY 106 N -0.96 0.44 3.35 2.39 0.00 -1.26 -4.99 105.19 104.16 1nfd n GLY 106 Ca 0.06 -2.28 0.02 0.00 0.00 0.00 0.00 46.02 43.83 1nfd n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nfd s THR 107 N -0.13 -0.43 0.05 2.61 -1.32 -1.09 -4.10 115.64 111.24 1nfd s THR 107 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1nfd s THR 107 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1nfd s THR 107 CO 0.00 0.00 0.96 -0.32 -2.21 0.00 0.00 174.62 173.05 1nfd s MET 108 N 2.41 4.61 -0.16 7.08 1.75 -1.26 -1.48 119.30 132.26 1nfd s MET 108 Ca -0.02 1.40 0.01 0.00 -1.25 0.00 0.00 55.69 55.83 1nfd s MET 108 Cb -0.05 -3.42 0.02 0.00 2.84 0.00 0.00 34.83 34.22 1nfd s MET 108 CO -0.17 0.08 -0.17 0.08 -0.65 0.00 0.00 175.02 174.19 1nfd s VAL 109 N 0.54 1.77 -0.30 10.11 1.01 0.06 -0.51 120.40 133.08 1nfd s VAL 109 Ca 0.49 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1nfd s VAL 109 Cb -0.22 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.59 1nfd s VAL 109 CO 0.28 0.49 -0.00 -0.89 0.00 0.00 0.00 175.10 174.98 1nfd s THR 110 N 1.36 2.91 -0.64 3.92 2.01 -0.31 -0.71 115.64 124.17 1nfd s THR 110 Ca 0.04 -1.46 -0.14 0.00 0.31 0.00 0.00 61.69 60.44 1nfd s THR 110 Cb -0.13 -2.70 0.16 0.00 0.01 0.00 0.00 72.50 69.84 1nfd s THR 110 CO -0.11 -0.13 0.58 -0.69 -0.69 0.00 0.00 174.62 173.58 1nfd s VAL 111 N 1.23 5.22 0.02 3.82 1.01 -1.26 0.12 120.40 130.55 1nfd s VAL 111 Ca -0.05 -1.94 -0.21 0.00 0.00 0.00 0.00 61.98 59.78 1nfd s VAL 111 Cb -0.20 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 31.92 1nfd s VAL 111 CO -0.02 -0.92 0.47 -0.55 0.00 0.00 0.00 175.10 174.09 1nfd s SER 112 N 2.88 -0.38 -1.32 3.32 0.15 -0.98 -3.77 113.70 113.60 1nfd s SER 112 Ca 0.09 0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 1nfd s SER 112 Cb -0.22 0.44 0.12 0.00 -1.71 0.00 0.00 66.02 64.65 1nfd s SER 112 CO -0.02 -0.63 2.38 -1.54 1.20 0.00 0.00 173.24 174.63 1nfd n SER 113 N 0.70 8.05 -4.09 5.45 3.41 -1.26 -3.95 113.62 121.92 1nfd n SER 113 Ca -0.19 -3.14 -0.11 0.00 -0.26 0.00 0.00 58.87 55.17 1nfd n SER 113 Cb 0.59 -1.36 -0.08 0.00 -0.26 0.00 0.00 64.21 63.10 1nfd n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfd s ALA 114 N -1.15 0.50 0.12 7.33 0.00 -1.26 -5.11 121.76 122.18 1nfd s ALA 114 Ca 0.54 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 51.26 1nfd s ALA 114 Cb 0.18 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 24.50 1nfd s ALA 114 CO -0.10 -0.72 -0.17 0.99 0.00 0.00 0.00 175.76 175.76 1nfd s THR 115 N -4.08 1.53 -0.48 0.00 2.01 -1.26 -4.94 115.64 108.42 1nfd s THR 115 Ca 0.31 -1.64 -0.43 0.00 0.31 0.00 0.00 61.69 60.24 1nfd s THR 115 Cb 0.03 -1.54 -0.18 0.00 0.01 0.00 0.00 72.50 70.82 1nfd s THR 115 CO 0.11 -0.25 2.09 0.41 -0.69 0.00 0.00 174.62 176.28 1nfd n THR 116 N 0.77 0.03 -3.58 -0.82 -1.04 -1.26 -4.86 114.28 103.52 1nfd n THR 116 Ca -0.17 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.41 1nfd n THR 116 Cb 0.55 -0.63 -0.07 0.00 -1.82 0.00 0.00 70.33 68.36 1nfd n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nfd s THR 117 N 5.81 4.37 0.09 12.58 2.01 -1.26 -5.02 115.64 134.22 1nfd s THR 117 Ca 1.17 -2.75 -0.28 0.00 0.31 0.00 0.00 61.69 60.14 1nfd s THR 117 Cb -1.42 -3.79 -0.15 0.00 0.01 0.00 0.00 72.50 67.15 1nfd s THR 117 CO 0.66 -0.92 0.64 0.00 -0.69 0.00 0.00 174.62 174.30 1nfd n ALA 118 N 3.70 -2.82 -1.29 7.40 0.00 -1.24 -2.50 120.51 123.76 1nfd n ALA 118 Ca 0.09 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1nfd n ALA 118 Cb 0.41 -1.39 0.14 0.00 0.00 0.00 0.00 19.45 18.61 1nfd n ALA 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nfd s PRO 119 N -0.44 1.14 -0.13 0.00 0.04 -1.23 -4.12 135.00 130.25 1nfd s PRO 119 Ca 0.63 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1nfd s PRO 119 Cb -0.90 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 31.89 1nfd s PRO 119 CO 0.47 -2.28 0.16 -1.12 0.04 0.00 0.00 177.00 174.27 1nfd s SER 120 N -3.58 1.29 -0.20 6.66 0.01 0.29 -4.87 113.70 113.30 1nfd s SER 120 Ca 0.64 -0.04 -0.15 0.00 1.31 0.00 0.00 55.95 57.71 1nfd s SER 120 Cb -0.17 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 1nfd s SER 120 CO 0.56 -0.29 0.34 0.68 0.41 0.00 0.00 173.24 174.94 1nfd s VAL 121 N 2.26 5.24 -0.19 3.43 -7.23 -1.26 -0.35 120.40 122.32 1nfd s VAL 121 Ca 0.04 0.59 0.01 0.00 -1.81 0.00 0.00 61.98 60.81 1nfd s VAL 121 Cb -0.14 -3.67 0.03 0.00 0.56 0.00 0.00 36.38 33.16 1nfd s VAL 121 CO -0.08 0.29 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.56 1nfd s TYR 122 N 1.12 2.47 0.17 2.82 2.02 -1.08 -4.85 117.35 120.02 1nfd s TYR 122 Ca 0.17 -1.55 -0.33 0.00 -0.37 0.00 0.00 57.07 54.99 1nfd s TYR 122 Cb -0.14 -1.70 -0.16 0.00 -0.40 0.00 0.00 41.96 39.56 1nfd s TYR 122 CO 0.07 -0.74 1.11 -2.30 -1.57 0.00 0.00 175.55 172.11 1nfd n PRO 123 N 4.68 1.03 -3.91 -1.71 -0.02 -1.26 -1.35 135.00 132.46 1nfd n PRO 123 Ca -0.16 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.34 1nfd n PRO 123 Cb 0.48 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 31.99 1nfd n PRO 123 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nfd s LEU 124 N 0.76 2.87 -0.14 2.45 1.43 -0.98 -4.87 118.68 120.19 1nfd s LEU 124 Ca 0.73 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 1nfd s LEU 124 Cb -0.87 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 43.66 1nfd s LEU 124 CO 0.53 -0.02 0.36 0.00 0.23 0.00 0.00 176.35 177.45 1nfd s ALA 125 N 1.47 -0.89 0.00 4.21 0.00 -1.26 -2.57 121.76 122.72 1nfd s ALA 125 Ca 0.06 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1nfd s ALA 125 Cb -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1nfd s ALA 125 CO -0.04 -0.21 0.00 -0.35 0.00 0.00 0.00 175.76 175.17 1nfd n PRO 126 N 3.57 0.00 -0.36 0.00 -0.04 -1.26 -4.95 135.00 131.96 1nfd n PRO 126 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1nfd n PRO 126 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1nfd n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nfd n ALA 127 N -3.00 0.00 -1.51 0.55 0.00 -1.26 -4.92 120.51 110.37 1nfd n ALA 127 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1nfd n ALA 127 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1nfd n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfd n ASP 129 N 1.83 0.00 -4.57 0.00 8.00 -1.26 -4.66 116.55 115.89 1nfd n ASP 129 Ca 0.56 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.70 1nfd n ASP 129 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1nfd n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1nfd s SER 130 N 0.00 6.03 -0.38 -2.24 1.04 -1.26 -4.84 113.70 112.05 1nfd s SER 130 Ca 0.00 -1.70 -0.09 0.00 0.48 0.00 0.00 55.95 54.64 1nfd s SER 130 Cb 0.00 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 1nfd s SER 130 CO 0.00 -1.98 0.94 0.35 0.98 0.00 0.00 173.24 173.53 1nfd n THR 131 N 7.11 0.00 0.00 2.02 -2.24 -1.26 -3.67 114.28 116.24 1nfd n THR 131 Ca 0.42 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1nfd n THR 131 Cb 0.48 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1nfd n THR 131 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nfd n THR 132 N 2.55 0.00 -2.55 4.28 -2.24 -1.26 -5.14 114.28 109.93 1nfd n THR 132 Ca 0.25 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.60 1nfd n THR 132 Cb 0.03 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 1nfd n THR 132 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nfd s SER 133 N 0.00 6.83 -0.19 3.42 0.15 -1.24 -4.85 113.70 117.81 1nfd s SER 133 Ca 0.00 1.12 0.16 0.00 0.70 0.00 0.00 55.95 57.93 1nfd s SER 133 Cb 0.00 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.33 1nfd s SER 133 CO 0.00 -0.96 1.46 0.41 1.20 0.00 0.00 173.24 175.35 1nfd n THR 134 N 6.00 2.36 0.00 6.45 -1.04 -1.26 -4.89 114.28 121.89 1nfd n THR 134 Ca 0.13 -1.87 0.00 0.00 -2.04 0.00 0.00 64.05 60.27 1nfd n THR 134 Cb 0.47 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1nfd n THR 134 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1nfd n THR 135 N -0.44 0.00 -0.24 12.58 -2.24 -1.26 -4.17 114.28 118.51 1nfd n THR 135 Ca 0.23 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.20 1nfd n THR 135 Cb 0.94 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.68 1nfd n THR 135 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1nfd h ASP 136 N 1.95 0.40 -4.46 3.42 3.58 -1.96 -3.40 116.42 115.96 1nfd h ASP 136 Ca 0.00 0.04 -0.44 0.00 0.42 0.00 0.00 57.03 57.05 1nfd h ASP 136 Cb 0.00 -0.03 -0.10 0.00 1.72 0.00 0.00 39.33 40.91 1nfd h ASP 136 CO 0.00 0.16 -0.39 0.35 -2.88 0.00 0.00 179.24 176.48 1nfd n THR 137 N -4.51 0.00 -4.02 2.25 -2.24 -1.26 -3.59 114.28 100.92 1nfd n THR 137 Ca 0.19 -2.01 -0.13 0.00 -2.27 0.00 0.00 64.05 59.83 1nfd n THR 137 Cb 0.69 0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 1nfd n THR 137 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nfd s VAL 138 N -2.94 0.25 0.22 2.28 1.01 0.34 -4.60 120.40 116.96 1nfd s VAL 138 Ca 0.23 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1nfd s VAL 138 Cb 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1nfd s VAL 138 CO 0.16 -0.14 -0.08 -0.89 0.00 0.00 0.00 175.10 174.15 1nfd s THR 139 N -0.59 1.46 -0.39 3.92 2.01 -1.25 -0.74 115.64 120.07 1nfd s THR 139 Ca -0.04 -2.12 0.00 0.00 0.31 0.00 0.00 61.69 59.83 1nfd s THR 139 Cb -0.04 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.29 1nfd s THR 139 CO -0.00 -0.49 0.00 0.00 -0.69 0.00 0.00 174.62 173.44 1nfd n LEU 140 N -0.41 0.00 0.00 4.42 -0.00 -0.99 -4.55 117.00 115.48 1nfd n LEU 140 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1nfd n LEU 140 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1nfd n LEU 140 CO 0.36 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.36 1nfd n GLY 141 N -0.05 1.15 3.25 1.47 0.00 -1.06 -0.52 105.19 109.43 1nfd n GLY 141 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1nfd n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfd s LEU 143 N -0.16 5.97 -0.12 0.00 2.96 -0.45 -2.06 118.68 124.82 1nfd s LEU 143 Ca -0.03 -3.38 -0.29 0.00 -0.22 0.00 0.00 54.13 50.20 1nfd s LEU 143 Cb -0.03 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1nfd s LEU 143 CO 0.01 -0.31 1.61 -0.69 -1.32 0.00 0.00 176.35 175.66 1nfd s VAL 144 N -0.88 3.68 -0.05 1.68 1.01 0.15 -2.64 120.40 123.36 1nfd s VAL 144 Ca 0.25 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 62.97 1nfd s VAL 144 Cb -0.10 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1nfd s VAL 144 CO -0.09 -0.14 0.16 -0.75 0.00 0.00 0.00 175.10 174.28 1nfd s LYS 145 N 4.21 0.25 0.00 2.72 2.20 0.53 0.71 119.74 130.37 1nfd s LYS 145 Ca 0.71 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1nfd s LYS 145 Cb -0.30 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 1nfd s LYS 145 CO 0.28 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 1nfd n GLY 146 N 2.66 1.00 3.79 5.54 0.00 -0.99 0.11 105.19 117.29 1nfd n GLY 146 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1nfd n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nfd s TYR 147 N -2.00 3.04 0.00 1.61 1.13 -1.04 -3.58 117.35 116.51 1nfd s TYR 147 Ca 0.00 -0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.54 1nfd s TYR 147 Cb 0.00 -1.38 0.00 0.00 -1.10 0.00 0.00 41.96 39.48 1nfd s TYR 147 CO 0.00 0.54 0.00 0.34 -2.51 0.00 0.00 175.55 173.92 1nfd n PHE 148 N -1.02 0.00 -0.19 -3.49 -0.00 -1.25 0.31 117.46 111.81 1nfd n PHE 148 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.28 1nfd n PHE 148 Cb 0.58 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 40.14 1nfd n PHE 148 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1nfd n PRO 149 N -1.09 -1.34 -0.77 -7.13 -0.02 -1.26 -4.78 135.00 118.61 1nfd n PRO 149 Ca 0.00 -0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 61.02 1nfd n PRO 149 Cb 0.01 -0.72 0.01 0.00 -0.02 0.00 0.00 33.50 32.77 1nfd n PRO 149 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1nfd n GLU 150 N -1.84 -0.03 -0.62 -0.52 1.02 -1.26 -4.85 120.64 112.53 1nfd n GLU 150 Ca 0.04 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 1nfd n GLU 150 Cb 0.17 -1.01 0.19 0.00 -0.02 0.00 0.00 31.44 30.78 1nfd n GLU 150 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1nfd n PRO 151 N 2.00 -1.31 -4.06 3.49 -0.02 -1.26 -4.95 135.00 128.89 1nfd n PRO 151 Ca -0.00 -0.34 -0.23 0.00 -2.02 0.00 0.00 63.50 60.91 1nfd n PRO 151 Cb 0.08 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 1nfd n PRO 151 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1nfd n VAL 152 N -4.43 0.00 -4.56 -1.45 0.24 -1.26 -4.62 118.33 102.25 1nfd n VAL 152 Ca 0.06 -1.97 -0.26 0.00 -2.04 0.00 0.00 64.34 60.14 1nfd n VAL 152 Cb 0.54 0.59 -0.14 0.00 -1.47 0.00 0.00 33.84 33.36 1nfd n VAL 152 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1nfd s THR 153 N -2.70 1.77 -0.30 3.34 -1.32 -1.06 -5.00 115.64 110.37 1nfd s THR 153 Ca 0.11 -1.35 -0.01 0.00 -1.21 0.00 0.00 61.69 59.23 1nfd s THR 153 Cb 0.01 -1.56 0.13 0.00 -1.51 0.00 0.00 72.50 69.57 1nfd s THR 153 CO 0.07 0.15 0.26 -0.69 -2.21 0.00 0.00 174.62 172.21 1nfd s VAL 154 N -0.91 -0.29 0.49 5.08 1.01 -1.26 -0.12 120.40 124.40 1nfd s VAL 154 Ca 0.08 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1nfd s VAL 154 Cb -0.09 -0.95 0.09 0.00 0.00 0.00 0.00 36.38 35.42 1nfd s VAL 154 CO 0.03 -0.57 0.68 -0.24 0.00 0.00 0.00 175.10 175.00 1nfd n SER 156 N 5.08 1.33 -3.71 3.32 2.88 -0.35 -4.93 113.62 117.24 1nfd n SER 156 Ca -0.00 -2.02 -0.15 0.00 -1.33 0.00 0.00 58.87 55.36 1nfd n SER 156 Cb 0.45 -0.40 -0.15 0.00 -0.75 0.00 0.00 64.21 63.35 1nfd n SER 156 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1nfd s TRP 157 N -2.00 -0.16 -1.41 0.66 0.52 -1.26 -1.93 118.94 113.36 1nfd s TRP 157 Ca 0.48 0.52 -0.12 0.00 0.02 0.00 0.00 56.10 57.00 1nfd s TRP 157 Cb -0.03 -0.17 0.09 0.00 -1.15 0.00 0.00 33.47 32.22 1nfd s TRP 157 CO 0.31 -0.21 0.62 0.09 0.02 0.00 0.00 176.95 177.78 1nfd n ASN 162 N 4.67 -3.77 -3.82 2.95 4.13 -0.24 -0.59 115.26 118.60 1nfd n ASN 162 Ca -0.17 -0.58 -0.25 0.00 1.68 0.00 0.00 54.58 55.26 1nfd n ASN 162 Cb 0.51 -3.09 0.01 0.00 -1.54 0.00 0.00 39.78 35.66 1nfd n ASN 162 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1nfd n SER 163 N -2.43 -1.41 0.00 6.41 3.41 -1.26 -2.47 113.62 115.87 1nfd n SER 163 Ca 0.01 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1nfd n SER 163 Cb 0.53 -3.47 0.00 0.00 -0.26 0.00 0.00 64.21 61.01 1nfd n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nfd n GLY 164 N -1.79 2.31 0.11 5.00 0.00 0.24 -4.85 105.19 106.20 1nfd n GLY 164 Ca -0.27 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 1nfd n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfd n ALA 165 N 0.00 -0.05 -2.57 4.61 0.00 -1.03 -2.98 120.51 118.50 1nfd n ALA 165 Ca 0.00 0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 1nfd n ALA 165 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 1nfd n ALA 165 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nfd s LEU 166 N -8.79 4.05 0.00 0.00 1.43 -1.20 -4.77 118.68 109.41 1nfd s LEU 166 Ca -0.04 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1nfd s LEU 166 Cb 0.05 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1nfd s LEU 166 CO 0.19 -1.00 0.00 0.41 0.23 0.00 0.00 176.35 176.18 1nfd n THR 167 N 6.31 0.00 -3.33 5.49 -1.04 -1.16 -4.49 114.28 116.06 1nfd n THR 167 Ca 0.05 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.69 1nfd n THR 167 Cb 0.48 -0.74 -0.06 0.00 -1.82 0.00 0.00 70.33 68.20 1nfd n THR 167 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nfd s SER 168 N -2.52 6.74 0.00 8.00 1.04 -1.26 -3.93 113.70 121.77 1nfd s SER 168 Ca 0.00 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1nfd s SER 168 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1nfd s SER 168 CO 0.00 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1nfd n GLY 169 N 2.92 0.74 3.89 7.32 0.00 -1.26 -4.69 105.19 114.12 1nfd n GLY 169 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1nfd n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nfd s VAL 171 N -2.30 4.87 -0.41 1.61 1.01 -1.25 0.65 120.40 124.58 1nfd s VAL 171 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.42 1nfd s VAL 171 Cb 0.00 -3.78 0.17 0.00 0.00 0.00 0.00 36.38 32.77 1nfd s VAL 171 CO 0.00 -0.61 0.53 -1.00 0.00 0.00 0.00 175.10 174.02 1nfd s HIS 172 N -2.46 -1.05 -0.59 5.22 3.76 0.25 -4.86 115.29 115.56 1nfd s HIS 172 Ca 0.49 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.83 1nfd s HIS 172 Cb -0.10 -0.02 0.07 0.00 1.11 0.00 0.00 32.58 33.64 1nfd s HIS 172 CO 0.36 -1.09 0.84 0.99 -0.85 0.00 0.00 174.74 174.98 1nfd s THR 173 N 1.52 4.55 0.92 1.30 2.01 -1.26 -1.25 115.64 123.42 1nfd s THR 173 Ca 0.18 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 1nfd s THR 173 Cb -0.08 -4.54 0.15 0.00 0.01 0.00 0.00 72.50 68.04 1nfd s THR 173 CO -0.05 -1.18 1.20 -0.36 -0.69 0.00 0.00 174.62 173.54 1nfd s PHE 174 N 3.47 2.22 0.30 4.92 0.40 -1.18 -5.03 117.98 123.07 1nfd s PHE 174 Ca 0.20 0.63 -0.29 0.00 -0.60 0.00 0.00 56.93 56.87 1nfd s PHE 174 Cb -0.18 -3.65 -0.09 0.00 0.51 0.00 0.00 43.02 39.61 1nfd s PHE 174 CO 0.12 -2.38 1.07 -2.14 0.70 0.00 0.00 175.22 172.59 1nfd s PRO 175 N -5.57 4.58 1.12 0.24 0.02 -1.26 -4.77 135.00 129.37 1nfd s PRO 175 Ca 0.67 1.72 -0.18 0.00 0.02 0.00 0.00 61.00 63.23 1nfd s PRO 175 Cb -0.10 -3.09 0.14 0.00 0.02 0.00 0.00 34.50 31.48 1nfd s PRO 175 CO 0.52 0.19 0.14 -1.13 -0.33 0.00 0.00 177.00 176.38 1nfd n SER 176 N 1.01 -2.61 -3.70 2.53 3.41 -1.26 -4.93 113.62 108.07 1nfd n SER 176 Ca -0.00 -0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.23 1nfd n SER 176 Cb 0.46 -0.92 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 1nfd n SER 176 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nfd s VAL 177 N -2.19 -0.20 -0.36 -3.33 1.01 -0.61 -4.96 120.40 109.75 1nfd s VAL 177 Ca 0.53 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 1nfd s VAL 177 Cb -0.11 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1nfd s VAL 177 CO 0.58 0.10 1.23 -0.22 0.00 0.00 0.00 175.10 176.80 1nfd s LEU 178 N 1.82 3.79 -0.17 3.92 1.98 -1.26 -2.32 118.68 126.44 1nfd s LEU 178 Ca -0.03 0.95 -0.02 0.00 -2.89 0.00 0.00 54.13 52.13 1nfd s LEU 178 Cb -0.11 -3.54 0.05 0.00 0.66 0.00 0.00 46.19 43.24 1nfd s LEU 178 CO -0.07 -1.13 0.02 -2.28 -1.89 0.00 0.00 176.35 171.00 1nfd s HIS 179 N 4.39 1.02 -1.45 5.38 2.46 -0.16 -4.86 115.29 122.06 1nfd s HIS 179 Ca 0.53 -0.75 -0.03 0.00 0.47 0.00 0.00 55.06 55.28 1nfd s HIS 179 Cb -0.13 -1.01 0.02 0.00 -0.13 0.00 0.00 32.58 31.33 1nfd s HIS 179 CO 0.25 -0.56 0.47 0.43 -2.47 0.00 0.00 174.74 172.86 1nfd n SER 180 N 5.05 -0.78 0.00 9.88 7.64 -1.26 0.22 113.62 134.38 1nfd n SER 180 Ca -0.09 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1nfd n SER 180 Cb 0.48 -2.99 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1nfd n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfd n GLY 183 N -1.92 0.66 3.22 0.23 0.00 -1.26 -4.98 105.19 101.15 1nfd n GLY 183 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1nfd n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nfd s LEU 184 N 0.00 2.06 0.74 0.99 1.43 0.13 -4.82 118.68 119.22 1nfd s LEU 184 Ca 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1nfd s LEU 184 Cb 0.00 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.88 1nfd s LEU 184 CO 0.00 0.18 1.09 -0.31 0.23 0.00 0.00 176.35 177.54 1nfd s TYR 185 N 0.22 3.11 -0.06 0.29 2.02 0.90 -0.99 117.35 122.84 1nfd s TYR 185 Ca -0.15 1.15 -0.24 0.00 -0.37 0.00 0.00 57.07 57.47 1nfd s TYR 185 Cb -0.17 -3.05 0.05 0.00 -0.40 0.00 0.00 41.96 38.40 1nfd s TYR 185 CO 0.07 -1.40 0.53 -1.12 -1.57 0.00 0.00 175.55 172.06 1nfd s SER 186 N -4.09 -0.48 -0.24 2.29 0.01 -0.98 -2.36 113.70 107.85 1nfd s SER 186 Ca 0.59 0.54 -0.26 0.00 1.31 0.00 0.00 55.95 58.13 1nfd s SER 186 Cb -0.13 0.53 0.08 0.00 0.21 0.00 0.00 66.02 66.72 1nfd s SER 186 CO 0.53 -0.50 0.79 -0.22 0.41 0.00 0.00 173.24 174.25 1nfd s LEU 187 N -1.06 -0.66 0.28 2.44 2.96 0.22 -1.58 118.68 121.28 1nfd s LEU 187 Ca -0.11 1.19 0.11 0.00 -0.22 0.00 0.00 54.13 55.11 1nfd s LEU 187 Cb -0.02 2.33 -0.05 0.00 0.50 0.00 0.00 46.19 48.95 1nfd s LEU 187 CO 0.07 -0.28 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.70 1nfd s SER 188 N 0.09 3.47 -0.05 3.68 1.04 -1.26 0.35 113.70 121.02 1nfd s SER 188 Ca -0.01 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.34 1nfd s SER 188 Cb -0.04 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.82 1nfd s SER 188 CO 0.01 -0.03 0.05 -0.55 0.98 0.00 0.00 173.24 173.69 1nfd s SER 189 N -3.50 1.32 0.57 7.02 0.15 -0.87 -3.10 113.70 115.28 1nfd s SER 189 Ca 0.29 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.97 1nfd s SER 189 Cb -0.03 -0.22 0.06 0.00 -1.71 0.00 0.00 66.02 64.11 1nfd s SER 189 CO 0.14 -0.24 0.79 -0.55 1.20 0.00 0.00 173.24 174.59 1nfd s SER 190 N 2.12 5.11 -0.28 5.45 0.15 -0.38 -2.20 113.70 123.67 1nfd s SER 190 Ca 0.05 -0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.25 1nfd s SER 190 Cb -0.12 -0.53 0.09 0.00 -1.71 0.00 0.00 66.02 63.75 1nfd s SER 190 CO -0.04 -1.27 0.81 -0.69 1.20 0.00 0.00 173.24 173.25 1nfd s VAL 191 N -2.78 0.00 -0.19 4.45 1.01 0.32 -0.58 120.40 122.63 1nfd s VAL 191 Ca 0.59 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1nfd s VAL 191 Cb -0.09 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1nfd s VAL 191 CO 0.39 0.00 -0.10 -0.89 0.00 0.00 0.00 175.10 174.50 1nfd s THR 192 N 0.84 1.58 0.36 3.92 2.01 0.21 -2.34 115.64 122.23 1nfd s THR 192 Ca -0.03 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.09 1nfd s THR 192 Cb -0.05 -1.65 -0.07 0.00 0.01 0.00 0.00 72.50 70.74 1nfd s THR 192 CO -0.09 0.20 0.01 0.68 -0.69 0.00 0.00 174.62 174.73 1nfd s VAL 193 N 1.43 1.72 0.10 3.82 -7.23 0.08 -4.62 120.40 115.70 1nfd s VAL 193 Ca -0.00 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 57.83 1nfd s VAL 193 Cb -0.16 -2.86 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 1nfd s VAL 193 CO -0.08 -0.04 1.27 -2.84 -0.31 0.00 0.00 175.10 173.09 1nfd s PRO 194 N -3.76 4.40 0.00 4.82 0.02 -1.26 0.13 135.00 139.34 1nfd s PRO 194 Ca 0.35 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1nfd s PRO 194 Cb 0.08 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1nfd s PRO 194 CO 0.17 -0.29 0.00 0.43 -0.33 0.00 0.00 177.00 176.97 1nfd n SER 195 N 3.67 0.00 -2.90 2.53 7.64 -1.24 -1.04 113.62 122.28 1nfd n SER 195 Ca 0.09 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.61 1nfd n SER 195 Cb 0.45 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1nfd n SER 195 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nfd n SER 196 N -3.88 7.19 0.00 6.43 7.64 -1.26 -4.46 113.62 125.28 1nfd n SER 196 Ca 0.00 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.34 1nfd n SER 196 Cb 0.00 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1nfd n SER 196 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nfd n THR 198 N 0.20 0.00 -0.12 0.44 -1.04 -0.21 -4.96 114.28 108.59 1nfd n THR 198 Ca 0.52 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 62.28 1nfd n THR 198 Cb 0.35 -0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.77 1nfd n THR 198 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1nfd n TRP 199 N -0.86 0.00 0.25 -1.42 2.14 -1.26 -2.37 117.44 113.93 1nfd n TRP 199 Ca 0.00 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.65 1nfd n TRP 199 Cb 0.08 -0.83 0.43 0.00 -0.81 0.00 0.00 31.31 30.17 1nfd n TRP 199 CO 0.00 0.00 0.00 -1.00 2.07 0.00 0.00 177.69 178.76 1nfd h PRO 200 N -0.81 0.00 0.00 -2.67 0.13 -1.94 -1.23 132.00 125.49 1nfd h PRO 200 Ca -0.59 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.16 1nfd h PRO 200 Cb 1.52 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.59 1nfd h PRO 200 CO -0.35 0.00 -2.30 1.17 -0.23 0.00 0.00 178.00 176.29 1nfd n LYS 202 N -2.39 0.50 -3.32 0.86 0.00 -1.26 -4.98 118.16 107.57 1nfd n LYS 202 Ca -0.01 0.21 -0.35 0.00 0.00 0.00 0.00 58.31 58.16 1nfd n LYS 202 Cb 0.50 -1.34 -0.06 0.00 0.00 0.00 0.00 35.03 34.13 1nfd n LYS 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1nfd s GLN 203 N -2.43 3.98 0.09 1.64 2.00 -0.46 -5.02 119.66 119.46 1nfd s GLN 203 Ca -0.32 0.51 -0.31 0.00 -2.00 0.00 0.00 55.36 53.24 1nfd s GLN 203 Cb 0.12 -2.84 -0.08 0.00 0.80 0.00 0.00 33.01 31.01 1nfd s GLN 203 CO 0.42 0.42 1.58 -1.25 -0.50 0.00 0.00 175.29 175.96 1nfd s PRO 204 N -2.19 4.22 -0.70 1.67 0.04 -1.26 -4.38 135.00 132.40 1nfd s PRO 204 Ca 0.41 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.78 1nfd s PRO 204 Cb -0.14 -3.44 0.26 0.00 0.04 0.00 0.00 34.50 31.22 1nfd s PRO 204 CO 0.20 -0.66 0.86 -0.89 0.04 0.00 0.00 177.00 176.55 1nfd n ILE 205 N 4.44 2.83 -3.51 0.56 5.41 -1.26 -4.93 119.36 122.89 1nfd n ILE 205 Ca 0.15 -5.34 -0.32 0.00 1.00 0.00 0.00 62.75 58.24 1nfd n ILE 205 Cb 0.40 -2.08 -0.05 0.00 -0.71 0.00 0.00 39.64 37.21 1nfd n ILE 205 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1nfd s THR 206 N -2.60 5.02 -0.11 1.39 2.01 -1.26 -3.77 115.64 116.32 1nfd s THR 206 Ca 0.39 0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1nfd s THR 206 Cb 0.14 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1nfd s THR 206 CO 0.00 -0.03 -0.19 0.00 -0.69 0.00 0.00 174.62 173.71 1nfd s ASN 209 N 0.72 6.30 0.43 0.00 0.01 -0.81 -2.30 114.94 119.29 1nfd s ASN 209 Ca -0.11 -1.94 -0.10 0.00 -0.71 0.00 0.00 52.86 50.00 1nfd s ASN 209 Cb -0.16 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.22 1nfd s ASN 209 CO 0.02 -0.82 0.79 -0.69 -1.51 0.00 0.00 177.10 174.89 1nfd s VAL 210 N 1.40 4.78 0.06 1.60 1.01 -1.03 -1.21 120.40 127.02 1nfd s VAL 210 Ca 0.07 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 1nfd s VAL 210 Cb -0.26 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1nfd s VAL 210 CO 0.01 -0.59 0.17 0.00 0.00 0.00 0.00 175.10 174.69 1nfd s ALA 211 N -2.46 -0.23 -0.45 5.51 0.00 0.82 -2.78 121.76 122.18 1nfd s ALA 211 Ca 0.51 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1nfd s ALA 211 Cb -0.10 0.35 0.18 0.00 0.00 0.00 0.00 23.12 23.55 1nfd s ALA 211 CO 0.34 -0.41 0.56 -1.58 0.00 0.00 0.00 175.76 174.66 1nfd s HIS 212 N -3.14 -0.79 0.30 0.00 5.04 -1.25 -2.58 115.29 112.87 1nfd s HIS 212 Ca -0.01 -0.86 0.18 0.00 -1.54 0.00 0.00 55.06 52.83 1nfd s HIS 212 Cb 0.02 -0.09 1.06 0.00 0.04 0.00 0.00 32.58 33.61 1nfd s HIS 212 CO -0.07 -1.10 1.21 -2.30 -2.34 0.00 0.00 174.74 170.14 1nfd n PRO 213 N 3.43 -0.04 0.06 2.88 -0.01 -1.26 -1.22 135.00 138.84 1nfd n PRO 213 Ca 0.18 1.04 -0.05 0.00 -0.01 0.00 0.00 63.50 64.66 1nfd n PRO 213 Cb 0.52 -1.91 -0.03 0.00 -0.01 0.00 0.00 33.50 32.07 1nfd n PRO 213 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1nfd h ALA 214 N 1.48 -0.79 -3.63 3.55 0.00 -1.92 -3.40 119.26 114.55 1nfd h ALA 214 Ca 0.66 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.85 1nfd h ALA 214 Cb 1.82 0.50 -0.35 0.00 0.00 0.00 0.00 17.79 19.75 1nfd h ALA 214 CO -0.55 -0.81 -0.79 -1.12 0.00 0.00 0.00 179.25 175.98 1nfd s SER 215 N -3.02 4.33 0.00 0.00 0.01 -0.36 -4.99 113.70 109.67 1nfd s SER 215 Ca -0.05 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1nfd s SER 215 Cb 0.02 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1nfd s SER 215 CO 0.19 -0.17 0.00 -1.20 0.41 0.00 0.00 173.24 172.47 1nfd n SER 216 N 4.52 0.00 -3.73 2.44 7.64 -1.25 -4.62 113.62 118.60 1nfd n SER 216 Ca -0.15 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 1nfd n SER 216 Cb 0.44 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 1nfd n SER 216 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nfd n THR 217 N 0.00 5.56 -2.14 0.44 -1.04 -1.24 -4.90 114.28 110.97 1nfd n THR 217 Ca 0.00 -5.93 -0.42 0.00 -2.04 0.00 0.00 64.05 55.67 1nfd n THR 217 Cb 0.00 -1.76 -0.01 0.00 -1.82 0.00 0.00 70.33 66.74 1nfd n THR 217 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1nfd n LYS 218 N 0.47 2.84 -4.12 -2.82 4.76 -1.26 -3.78 118.16 114.25 1nfd n LYS 218 Ca 0.38 -2.88 -0.28 0.00 -2.87 0.00 0.00 58.31 52.66 1nfd n LYS 218 Cb 0.30 -3.40 -0.07 0.00 -1.84 0.00 0.00 35.03 30.01 1nfd n LYS 218 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1nfd s VAL 219 N 4.43 4.17 -0.10 -0.18 0.11 -1.12 -5.06 120.40 122.66 1nfd s VAL 219 Ca 0.53 -1.10 -0.08 0.00 -2.93 0.00 0.00 61.98 58.40 1nfd s VAL 219 Cb 0.08 -3.06 0.03 0.00 -1.53 0.00 0.00 36.38 31.90 1nfd s VAL 219 CO 0.02 -0.01 0.26 -1.81 -3.33 0.00 0.00 175.10 170.24 1nfd s ASP 220 N -2.74 -0.28 -0.40 3.54 1.11 -1.26 -2.46 116.67 114.18 1nfd s ASP 220 Ca 0.28 0.54 0.02 0.00 0.18 0.00 0.00 52.55 53.57 1nfd s ASP 220 Cb -0.11 0.51 0.15 0.00 1.07 0.00 0.00 42.92 44.55 1nfd s ASP 220 CO 0.21 -0.11 0.27 -0.75 1.18 0.00 0.00 175.17 175.96 1nfd s LYS 221 N 0.42 0.88 -0.75 8.23 2.47 -0.97 -5.01 119.74 125.02 1nfd s LYS 221 Ca -0.02 -1.78 -0.25 0.00 -1.56 0.00 0.00 55.97 52.35 1nfd s LYS 221 Cb -0.04 -1.62 -0.14 0.00 -1.46 0.00 0.00 37.83 34.56 1nfd s LYS 221 CO -0.02 -1.26 2.41 1.63 0.16 0.00 0.00 175.35 178.27 1nfd n LYS 222 N 3.49 0.60 -1.65 4.03 5.02 -1.26 -3.82 118.16 124.58 1nfd n LYS 222 Ca 0.17 -0.60 -0.38 0.00 -2.02 0.00 0.00 58.31 55.48 1nfd n LYS 222 Cb 0.40 -3.41 -0.03 0.00 -0.02 0.00 0.00 35.03 31.97 1nfd n LYS 222 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nfd s ILE 225 N 13.14 3.07 0.50 -0.18 1.01 -1.25 -4.96 121.20 132.54 1nfd s ILE 225 Ca 0.98 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.65 1nfd s ILE 225 Cb -0.22 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 1nfd s ILE 225 CO 0.16 -0.16 0.77 -0.70 0.00 0.00 0.00 174.94 175.02 1nfd s GLU 226 N 7.77 3.17 1.14 2.79 2.56 -1.26 -4.75 118.70 130.11 1nfd s GLU 226 Ca 0.93 -0.13 -0.16 0.00 0.00 0.00 0.00 54.97 55.60 1nfd s GLU 226 Cb -0.19 -2.42 0.26 0.00 2.00 0.00 0.00 34.13 33.78 1nfd s GLU 226 CO 0.27 -0.37 1.09 -1.25 -0.56 0.00 0.00 175.26 174.43 1nfd s PRO 227 N -4.74 -0.71 0.00 4.30 0.04 -1.26 -5.03 135.00 127.60 1nfd s PRO 227 Ca 0.49 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1nfd s PRO 227 Cb -0.10 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1nfd s PRO 227 CO 0.42 -3.43 0.36 -2.13 0.04 0.00 0.00 177.00 172.26