#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 2.19 -0.00 3.84 1.01 -1.25 -4.22 120.40 121.96 1nfd s VAL 2 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1nfd s VAL 2 Cb 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 1nfd s VAL 2 CO 0.00 0.04 -0.06 -0.31 0.00 0.00 0.00 175.10 174.77 1nfd s TYR 3 N -0.82 0.54 -0.33 5.22 1.51 1.07 -4.93 117.35 119.61 1nfd s TYR 3 Ca 0.55 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1nfd s TYR 3 Cb -0.46 -0.35 0.12 0.00 -0.11 0.00 0.00 41.96 41.17 1nfd s TYR 3 CO 0.57 -0.01 0.16 -0.51 -1.11 0.00 0.00 175.55 174.65 1nfd s LEU 4 N -0.16 1.39 -0.21 -1.29 1.43 -1.24 -0.95 118.68 117.65 1nfd s LEU 4 Ca 0.02 -1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 51.21 1nfd s LEU 4 Cb -0.02 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 1nfd s LEU 4 CO -0.00 -0.37 0.11 -0.69 0.23 0.00 0.00 176.35 175.63 1nfd s VAL 5 N 1.44 5.09 0.10 -1.59 1.01 0.34 -3.46 120.40 123.32 1nfd s VAL 5 Ca 0.13 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1nfd s VAL 5 Cb -0.20 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1nfd s VAL 5 CO -0.18 0.40 0.37 -1.61 0.00 0.00 0.00 175.10 174.08 1nfd s GLU 6 N 0.75 3.67 -0.28 2.72 8.01 -1.26 0.25 118.70 132.57 1nfd s GLU 6 Ca 0.06 0.02 -0.19 0.00 0.01 0.00 0.00 54.97 54.87 1nfd s GLU 6 Cb -0.13 -2.94 0.10 0.00 -4.31 0.00 0.00 34.13 26.85 1nfd s GLU 6 CO 0.02 0.53 0.82 -1.54 0.01 0.00 0.00 175.26 175.10 1nfd s SER 7 N -2.05 -0.72 0.00 -0.19 1.04 -0.96 -4.77 113.70 106.05 1nfd s SER 7 Ca 0.36 1.22 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1nfd s SER 7 Cb -0.13 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.27 1nfd s SER 7 CO 0.21 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1nfd n GLY 8 N 3.58 0.63 3.28 7.32 0.00 -1.26 -1.26 105.19 117.47 1nfd n GLY 8 Ca -0.18 0.00 -0.33 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 -2.52 0.00 -0.02 0.00 -1.25 -4.69 105.19 96.70 1nfd n GLY 9 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.82 0.00 -4.50 1.61 -0.08 -0.16 -4.94 116.55 107.67 1nfd n ASP 10 Ca 0.02 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.88 1nfd n ASP 10 Cb 0.61 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.97 1nfd n ASP 10 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1nfd s LEU 11 N 0.00 4.80 0.32 -2.67 0.05 -1.25 -0.08 118.68 119.84 1nfd s LEU 11 Ca 0.00 -0.61 0.07 0.00 0.05 0.00 0.00 54.13 53.65 1nfd s LEU 11 Cb 0.00 -2.30 -0.06 0.00 -2.05 0.00 0.00 46.19 41.77 1nfd s LEU 11 CO 0.00 -0.47 -0.05 -0.69 -0.55 0.00 0.00 176.35 174.59 1nfd s VAL 12 N 1.97 1.84 0.18 1.48 1.01 0.38 -4.94 120.40 122.32 1nfd s VAL 12 Ca 0.10 -2.13 -0.22 0.00 0.00 0.00 0.00 61.98 59.73 1nfd s VAL 12 Cb -0.17 -2.61 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 1nfd s VAL 12 CO 0.12 -0.21 0.73 -1.10 0.00 0.00 0.00 175.10 174.64 1nfd s GLN 13 N -3.70 4.38 0.19 2.72 -1.52 -1.25 -0.54 119.66 119.94 1nfd s GLN 13 Ca 0.32 0.97 -0.29 0.00 -1.95 0.00 0.00 55.36 54.41 1nfd s GLN 13 Cb 0.04 -3.09 -0.17 0.00 -0.22 0.00 0.00 33.01 29.58 1nfd s GLN 13 CO 0.14 0.50 0.63 -2.30 -0.25 0.00 0.00 175.29 174.02 1nfd n PRO 14 N 1.22 0.15 -0.43 2.91 -0.02 -1.26 -1.55 135.00 136.01 1nfd n PRO 14 Ca -0.05 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1nfd n PRO 14 Cb 0.50 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 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 1.52 0.00 -1.23 0.00 0.28 -4.94 105.19 102.71 1nfd n GLY 15 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -3.62 1.61 2.88 -0.60 -3.69 113.62 110.21 1nfd n SER 16 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1nfd n SER 16 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.64 -0.64 -0.03 -3.46 0.01 -1.26 0.67 113.70 107.36 1nfd s SER 17 Ca 0.00 0.99 0.04 0.00 1.31 0.00 0.00 55.95 58.29 1nfd s SER 17 Cb 0.00 1.35 -0.00 0.00 0.21 0.00 0.00 66.02 67.58 1nfd s SER 17 CO 0.00 -0.15 -0.13 -0.22 0.41 0.00 0.00 173.24 173.14 1nfd s LEU 18 N 1.61 1.92 -0.61 2.44 0.20 -0.38 -4.92 118.68 118.94 1nfd s LEU 18 Ca -0.08 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.50 1nfd s LEU 18 Cb -0.05 -0.75 0.15 0.00 -0.43 0.00 0.00 46.19 45.12 1nfd s LEU 18 CO -0.16 0.13 0.38 -0.75 -0.29 0.00 0.00 176.35 175.66 1nfd s LYS 19 N -0.06 2.28 0.39 1.98 2.20 -1.26 -1.14 119.74 124.13 1nfd s LYS 19 Ca 0.00 -2.84 -0.09 0.00 -0.36 0.00 0.00 55.97 52.67 1nfd s LYS 19 Cb -0.08 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 1nfd s LYS 19 CO 0.01 -1.17 0.74 0.08 -0.36 0.00 0.00 175.35 174.64 1nfd s VAL 20 N -0.63 4.83 0.40 4.02 1.01 -1.22 -4.86 120.40 123.95 1nfd s VAL 20 Ca 0.20 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1nfd s VAL 20 Cb -0.18 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1nfd s VAL 20 CO -0.06 -0.51 0.05 -0.94 0.00 0.00 0.00 175.10 173.64 1nfd s SER 21 N -3.22 3.22 -0.19 3.32 1.04 -0.39 -0.73 113.70 116.74 1nfd s SER 21 Ca 0.50 -1.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1nfd s SER 21 Cb -0.10 0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.13 1nfd s SER 21 CO 0.32 -0.67 0.00 0.00 0.98 0.00 0.00 173.24 173.87 1nfd s ALA 23 N 1.73 3.55 0.40 0.00 0.00 0.70 -2.95 121.76 125.19 1nfd s ALA 23 Ca -0.01 -0.10 0.08 0.00 0.00 0.00 0.00 51.96 51.93 1nfd s ALA 23 Cb -0.17 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 1nfd s ALA 23 CO -0.07 0.24 0.33 0.00 0.00 0.00 0.00 175.76 176.25 1nfd s ALA 24 N -0.33 3.94 0.00 0.00 0.00 -1.16 0.13 121.76 124.33 1nfd s ALA 24 Ca 0.27 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1nfd s ALA 24 Cb -0.17 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1nfd s ALA 24 CO 0.14 -0.16 0.00 0.45 0.00 0.00 0.00 175.76 176.19 1nfd n SER 25 N -1.46 0.00 0.00 0.00 2.88 -0.12 -4.88 113.62 110.03 1nfd n SER 25 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1nfd n SER 25 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1nfd n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nfd n GLY 26 N -0.10 1.07 0.00 0.46 0.00 -1.26 0.35 105.19 105.70 1nfd n GLY 26 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.11 0.00 -1.99 1.61 -1.74 -1.26 -4.11 117.46 107.87 1nfd n PHE 27 Ca 0.00 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.64 1nfd n PHE 27 Cb 0.04 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 40.98 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 3.40 0.29 1.97 -4.23 -1.26 -4.75 115.64 109.06 1nfd s THR 28 Ca 0.00 -0.38 0.21 0.00 -1.18 0.00 0.00 61.69 60.34 1nfd s THR 28 Cb 0.00 -3.95 0.21 0.00 1.34 0.00 0.00 72.50 70.10 1nfd s THR 28 CO 0.00 -0.83 1.59 0.15 -0.54 0.00 0.00 174.62 174.99 1nfd h PHE 29 N 11.29 0.00 -0.09 3.99 3.04 -1.98 -2.59 116.94 130.60 1nfd h PHE 29 Ca 0.10 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1nfd h PHE 29 Cb 1.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.50 1nfd h PHE 29 CO 1.21 0.00 0.04 1.03 -2.02 0.00 0.00 178.31 178.56 1nfd h SER 30 N 0.00 0.13 -1.07 0.41 0.87 -1.96 -3.23 113.55 108.69 1nfd h SER 30 Ca 0.00 -0.17 -0.53 0.00 -1.23 0.00 0.00 61.79 59.86 1nfd h SER 30 Cb 0.60 -0.03 -0.20 0.00 -0.44 0.00 0.00 62.40 62.33 1nfd h SER 30 CO 0.00 0.27 0.58 -0.90 -0.53 0.00 0.00 176.83 176.24 1nfd n ASP 31 N -4.92 6.81 -3.75 6.23 5.68 -0.98 -4.66 116.55 120.97 1nfd n ASP 31 Ca -0.06 -3.36 -0.13 0.00 -0.50 0.00 0.00 54.79 50.75 1nfd n ASP 31 Cb 0.12 -1.13 -0.13 0.00 -1.14 0.00 0.00 41.12 38.84 1nfd n ASP 31 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1nfd s PHE 32 N -2.41 -0.27 -0.06 2.11 0.08 -1.22 -4.37 117.98 111.84 1nfd s PHE 32 Ca 0.52 0.66 -0.22 0.00 0.12 0.00 0.00 56.93 58.00 1nfd s PHE 32 Cb 0.38 0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.81 1nfd s PHE 32 CO -0.18 -0.18 0.65 -1.58 -0.10 0.00 0.00 175.22 173.83 1nfd s TRP 33 N 0.92 3.59 0.09 0.36 0.52 0.52 -4.55 118.94 120.39 1nfd s TRP 33 Ca -0.07 1.20 -0.11 0.00 0.02 0.00 0.00 56.10 57.15 1nfd s TRP 33 Cb -0.08 -2.74 -0.06 0.00 -1.15 0.00 0.00 33.47 29.44 1nfd s TRP 33 CO -0.06 0.15 0.43 -1.64 0.02 0.00 0.00 176.95 175.85 1nfd s MET 34 N 0.56 3.80 0.04 4.98 -1.94 -0.87 -0.83 119.30 125.05 1nfd s MET 34 Ca 0.35 0.23 0.04 0.00 -1.71 0.00 0.00 55.69 54.60 1nfd s MET 34 Cb -0.18 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 1nfd s MET 34 CO 0.17 0.55 -0.12 0.71 -0.01 0.00 0.00 175.02 176.32 1nfd s TYR 35 N -1.40 1.01 0.16 -0.03 1.51 -0.43 -1.41 117.35 116.76 1nfd s TYR 35 Ca 0.34 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1nfd s TYR 35 Cb -0.14 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1nfd s TYR 35 CO 0.18 0.01 0.01 -1.58 -1.11 0.00 0.00 175.55 173.05 1nfd s TRP 36 N -1.04 2.88 -0.28 2.71 0.52 -0.72 -1.19 118.94 121.82 1nfd s TRP 36 Ca -0.02 -0.12 -0.17 0.00 0.02 0.00 0.00 56.10 55.81 1nfd s TRP 36 Cb -0.08 -1.41 0.11 0.00 -1.15 0.00 0.00 33.47 30.94 1nfd s TRP 36 CO 0.01 0.51 0.85 0.08 0.02 0.00 0.00 176.95 178.42 1nfd s VAL 37 N -1.68 0.00 0.51 4.03 1.01 0.18 -2.08 120.40 122.37 1nfd s VAL 37 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1nfd s VAL 37 Cb -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1nfd s VAL 37 CO 0.19 0.00 0.26 0.00 0.00 0.00 0.00 175.10 175.55 1nfd s ARG 38 N 1.41 2.24 -0.28 2.72 1.70 -0.51 0.23 118.95 126.47 1nfd s ARG 38 Ca -0.09 -2.06 -0.20 0.00 -0.47 0.00 0.00 55.73 52.91 1nfd s ARG 38 Cb -0.04 -1.94 0.10 0.00 -0.57 0.00 0.00 34.95 32.49 1nfd s ARG 38 CO -0.16 -0.44 0.81 -1.14 -1.08 0.00 0.00 175.30 173.28 1nfd s GLN 39 N -4.10 0.64 0.26 3.89 0.74 -1.10 -0.98 119.66 119.02 1nfd s GLN 39 Ca 0.29 0.96 -0.14 0.00 0.05 0.00 0.00 55.36 56.52 1nfd s GLN 39 Cb -0.00 0.21 -0.08 0.00 1.10 0.00 0.00 33.01 34.24 1nfd s GLN 39 CO 0.17 -0.11 0.65 0.00 -0.55 0.00 0.00 175.29 175.45 1nfd s ALA 40 N 1.05 3.44 0.00 1.58 0.00 -1.25 -2.18 121.76 124.40 1nfd s ALA 40 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1nfd s ALA 40 Cb -0.05 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1nfd s ALA 40 CO -0.12 0.40 0.14 -2.30 0.00 0.00 0.00 175.76 173.89 1nfd n PRO 41 N -0.02 0.00 0.00 0.00 -0.02 -1.26 -0.26 135.00 133.44 1nfd n PRO 41 Ca 0.01 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1nfd n PRO 41 Cb 0.52 -0.31 0.79 0.00 -0.02 0.00 0.00 33.50 34.48 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 -0.55 -0.99 3.88 -1.23 0.00 -1.26 -4.86 105.19 100.18 1nfd n GLY 42 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.27 3.78 0.00 1.61 3.01 0.64 -5.09 119.74 121.42 1nfd s LYS 43 Ca 0.37 0.32 0.00 0.00 -1.01 0.00 0.00 55.97 55.65 1nfd s LYS 43 Cb 0.21 -2.54 0.00 0.00 -1.01 0.00 0.00 37.83 34.49 1nfd s LYS 43 CO 0.42 0.16 0.00 0.41 0.51 0.00 0.00 175.35 176.85 1nfd n GLY 44 N -0.72 -2.10 3.79 -3.33 0.00 -1.26 -3.89 105.19 97.67 1nfd n GLY 44 Ca 0.01 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 4.49 -0.09 0.99 1.43 -1.26 -3.85 118.68 120.40 1nfd s LEU 45 Ca 0.00 1.26 -0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1nfd s LEU 45 Cb 0.00 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.30 1nfd s LEU 45 CO 0.00 0.21 -0.05 -0.70 0.23 0.00 0.00 176.35 176.03 1nfd s GLU 46 N -0.77 1.16 0.09 1.70 2.12 -0.15 -5.01 118.70 117.84 1nfd s GLU 46 Ca 0.30 -0.13 -0.31 0.00 0.36 0.00 0.00 54.97 55.19 1nfd s GLU 46 Cb -0.19 -1.28 -0.07 0.00 0.26 0.00 0.00 34.13 32.84 1nfd s GLU 46 CO 0.19 -0.23 1.31 -0.46 -0.54 0.00 0.00 175.26 175.53 1nfd s TRP 47 N 1.62 3.33 -0.20 5.30 -0.00 -1.26 -1.42 118.94 126.31 1nfd s TRP 47 Ca 0.01 1.10 -0.15 0.00 -0.00 0.00 0.00 56.10 57.07 1nfd s TRP 47 Cb -0.13 -3.57 -0.09 0.00 -0.00 0.00 0.00 33.47 29.68 1nfd s TRP 47 CO -0.05 -1.91 -0.19 0.28 -0.00 0.00 0.00 176.95 175.07 1nfd n VAL 48 N 3.91 1.49 -3.68 5.86 0.31 -0.89 -4.62 118.33 120.71 1nfd n VAL 48 Ca 0.10 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1nfd n VAL 48 Cb 0.44 -2.20 0.01 0.00 -0.91 0.00 0.00 33.84 31.18 1nfd n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nfd n GLY 49 N 1.45 0.91 3.41 2.92 0.00 -1.16 -1.71 105.19 111.01 1nfd n GLY 49 Ca -0.25 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 1nfd n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nfd s ARG 50 N -2.02 0.83 -0.05 1.61 3.52 -1.05 -1.76 118.95 120.04 1nfd s ARG 50 Ca 0.09 0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.91 1nfd s ARG 50 Cb -0.01 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 1nfd s ARG 50 CO 0.02 -0.22 0.03 -1.50 -0.81 0.00 0.00 175.30 172.81 1nfd s ILE 51 N -0.90 0.10 1.04 4.11 2.07 -0.50 -0.99 121.20 126.13 1nfd s ILE 51 Ca -0.09 0.25 -0.17 0.00 -1.41 0.00 0.00 60.65 59.23 1nfd s ILE 51 Cb -0.03 -0.29 0.23 0.00 0.13 0.00 0.00 42.46 42.50 1nfd s ILE 51 CO 0.06 0.19 1.27 -0.54 -1.91 0.00 0.00 174.94 174.01 1nfd s LYS 52 N 1.81 0.06 0.00 3.50 1.02 -0.27 -2.05 119.74 123.81 1nfd s LYS 52 Ca 0.01 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1nfd s LYS 52 Cb -0.12 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1nfd s LYS 52 CO -0.03 -2.81 0.00 0.27 -0.92 0.00 0.00 175.35 171.85 1nfd n ASN 52 N -4.06 0.00 0.26 2.83 2.04 -1.26 -3.67 115.26 111.40 1nfd n ASN 52 Ca 0.15 -0.90 -0.11 0.00 -0.44 0.00 0.00 54.58 53.28 1nfd n ASN 52 Cb 0.59 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.79 1nfd n ASN 52 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 1nfd h ILE 52 N -0.88 0.00 -0.81 1.53 2.04 -1.93 1.94 117.51 119.40 1nfd h ILE 52 Ca 0.00 -0.47 0.34 0.00 1.00 0.00 0.00 64.86 65.73 1nfd h ILE 52 Cb 0.00 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.94 1nfd h ILE 52 CO 0.00 0.00 0.44 -2.65 0.00 0.00 0.00 178.15 175.94 1nfd n PRO 52 N -5.21 -0.05 -0.57 2.37 -0.02 -1.26 0.62 135.00 130.88 1nfd n PRO 52 Ca -0.09 1.10 0.08 0.00 -2.02 0.00 0.00 63.50 62.57 1nfd n PRO 52 Cb 0.28 -1.98 0.32 0.00 -0.02 0.00 0.00 33.50 32.10 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 -4.78 4.33 -3.03 2.55 4.13 -1.21 -4.95 115.26 112.30 1nfd n ASN 53 Ca 0.30 -2.42 -0.22 0.00 1.68 0.00 0.00 54.58 53.92 1nfd n ASN 53 Cb 1.04 -0.55 0.05 0.00 -1.54 0.00 0.00 39.78 38.78 1nfd n ASN 53 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1nfd n ASN 54 N 0.95 -5.97 -1.74 6.41 4.05 2.70 -3.17 115.26 118.49 1nfd n ASN 54 Ca 0.23 -0.35 -0.08 0.00 0.45 0.00 0.00 54.58 54.83 1nfd n ASN 54 Cb 0.82 -4.72 -0.02 0.00 1.23 0.00 0.00 39.78 37.09 1nfd n ASN 54 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1nfd n TYR 55 N -4.59 -1.04 -1.58 1.20 4.01 0.65 -4.81 117.16 111.01 1nfd n TYR 55 Ca -0.07 0.00 -0.53 0.00 -0.16 0.00 0.00 57.90 57.14 1nfd n TYR 55 Cb 0.60 -2.02 -0.06 0.00 -0.31 0.00 0.00 39.34 37.54 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 -1.02 -1.38 -2.42 -0.72 0.00 -1.19 -4.05 120.51 109.73 1nfd n ALA 56 Ca -0.09 0.53 -0.20 0.00 0.00 0.00 0.00 53.44 53.68 1nfd n ALA 56 Cb 0.39 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 1nfd n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nfd s THR 57 N 0.41 3.53 0.07 0.00 2.01 -1.26 -1.11 115.64 119.29 1nfd s THR 57 Ca 0.85 -1.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.42 1nfd s THR 57 Cb -1.00 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 68.34 1nfd s THR 57 CO 0.48 -0.14 0.45 -0.70 -0.69 0.00 0.00 174.62 174.02 1nfd s GLU 58 N -4.08 1.00 -0.06 4.92 2.56 -0.16 -4.97 118.70 117.91 1nfd s GLU 58 Ca 0.44 -0.42 -0.05 0.00 0.00 0.00 0.00 54.97 54.94 1nfd s GLU 58 Cb -0.07 0.45 0.02 0.00 2.00 0.00 0.00 34.13 36.53 1nfd s GLU 58 CO 0.28 -0.37 0.15 0.71 -0.56 0.00 0.00 175.26 175.48 1nfd s TYR 59 N -2.86 -0.17 0.69 5.30 2.02 -1.26 -2.54 117.35 118.52 1nfd s TYR 59 Ca -0.03 0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.95 1nfd s TYR 59 Cb -0.00 0.04 0.01 0.00 -0.40 0.00 0.00 41.96 41.61 1nfd s TYR 59 CO -0.05 -0.10 1.14 0.00 -1.57 0.00 0.00 175.55 174.97 1nfd s ALA 60 N 0.27 2.34 0.24 3.71 0.00 -0.69 -4.76 121.76 122.87 1nfd s ALA 60 Ca -0.02 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1nfd s ALA 60 Cb -0.03 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 20.19 1nfd s ALA 60 CO -0.01 -1.49 1.71 -0.44 0.00 0.00 0.00 175.76 175.53 1nfd h ASP 61 N -0.10 0.18 -1.19 0.00 3.32 -1.92 -2.31 116.42 114.40 1nfd h ASP 61 Ca -0.47 0.12 0.35 0.00 0.02 0.00 0.00 57.03 57.05 1nfd h ASP 61 Cb 1.26 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.89 1nfd h ASP 61 CO 0.52 0.05 0.99 0.77 -1.72 0.00 0.00 179.24 179.85 1nfd h SER 62 N 0.37 0.00 -0.36 6.45 4.64 -1.94 -2.84 113.55 119.87 1nfd h SER 62 Ca 0.42 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.50 1nfd h SER 62 Cb 0.67 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.42 1nfd h SER 62 CO -0.44 0.00 -0.93 1.33 -0.87 0.00 0.00 176.83 175.92 1nfd n VAL 63 N -3.84 0.96 -0.03 0.95 0.24 -0.89 -4.97 118.33 110.75 1nfd n VAL 63 Ca 0.26 -2.49 -0.12 0.00 -2.04 0.00 0.00 64.34 59.95 1nfd n VAL 63 Cb 1.37 1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 34.87 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 2.28 0.15 -0.24 7.34 2.43 -1.27 -2.10 114.38 122.96 1nfd h ARG 64 Ca -0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1nfd h ARG 64 Cb 1.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1nfd h ARG 64 CO 0.11 0.42 0.00 0.41 -1.51 0.00 0.00 179.97 179.40 1nfd n GLY 65 N -0.27 0.58 0.00 2.80 0.00 -1.26 -4.38 105.19 102.66 1nfd n GLY 65 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.54 2.09 -3.69 1.61 1.85 -1.23 -5.07 116.66 112.76 1nfd n ARG 66 Ca 0.16 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.70 1nfd n ARG 66 Cb 0.37 -0.96 -0.04 0.00 -1.05 0.00 0.00 32.46 30.78 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 -1.91 3.48 0.31 2.89 0.40 -0.79 -3.57 117.98 118.79 1nfd s PHE 67 Ca 0.00 0.51 0.04 0.00 -0.60 0.00 0.00 56.93 56.88 1nfd s PHE 67 Cb 0.00 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1nfd s PHE 67 CO 0.00 0.44 0.19 0.99 0.70 0.00 0.00 175.22 177.54 1nfd s THR 68 N -1.67 0.22 -0.04 0.64 2.01 0.09 -4.84 115.64 112.05 1nfd s THR 68 Ca 0.40 -2.00 -0.21 0.00 0.31 0.00 0.00 61.69 60.20 1nfd s THR 68 Cb -0.12 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.95 1nfd s THR 68 CO 0.25 0.00 0.45 -0.63 -0.69 0.00 0.00 174.62 174.01 1nfd s ILE 69 N -3.56 0.03 -0.10 1.82 1.01 -1.26 -1.85 121.20 117.29 1nfd s ILE 69 Ca 0.36 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 1nfd s ILE 69 Cb 0.04 -0.75 0.03 0.00 0.01 0.00 0.00 42.46 41.78 1nfd s ILE 69 CO 0.20 -0.15 0.29 -0.94 0.00 0.00 0.00 174.94 174.34 1nfd s SER 70 N -1.15 -0.29 0.04 3.58 1.04 -0.78 -4.96 113.70 111.18 1nfd s SER 70 Ca -0.12 0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.88 1nfd s SER 70 Cb -0.03 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1nfd s SER 70 CO 0.06 -0.12 0.11 -0.60 0.98 0.00 0.00 173.24 173.67 1nfd s ARG 71 N 0.08 3.08 -0.43 4.02 6.06 -1.26 -0.27 118.95 130.23 1nfd s ARG 71 Ca -0.01 -0.54 0.08 0.00 -2.50 0.00 0.00 55.73 52.76 1nfd s ARG 71 Cb -0.02 -2.85 0.25 0.00 0.06 0.00 0.00 34.95 32.39 1nfd s ARG 71 CO 0.01 0.61 0.57 -3.47 -2.50 0.00 0.00 175.30 170.52 1nfd n ASP 72 N 0.77 0.86 -0.18 -2.12 -0.08 -0.88 -4.95 116.55 109.97 1nfd n ASP 72 Ca -0.10 -2.84 0.30 0.00 -1.51 0.00 0.00 54.79 50.63 1nfd n ASP 72 Cb 0.52 -0.64 0.70 0.00 2.34 0.00 0.00 41.12 44.04 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 3.98 0.00 0.60 1.67 3.32 -1.94 1.39 116.42 125.43 1nfd h ASP 73 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nfd h ASP 73 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1nfd h ASP 73 CO 0.53 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.82 1nfd h SER 74 N 0.00 0.00 -0.00 6.45 4.64 -1.96 -2.38 113.55 120.30 1nfd h SER 74 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1nfd h SER 74 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1nfd h SER 74 CO -0.00 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 176.48 1nfd n ARG 75 N -2.73 5.36 -2.86 4.77 5.12 0.44 -5.04 116.66 121.72 1nfd n ARG 75 Ca 0.00 -0.10 -0.01 0.00 -1.93 0.00 0.00 57.85 55.81 1nfd n ARG 75 Cb 0.20 -0.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 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 -0.81 -7.12 -0.58 0.55 3.02 0.97 -4.81 115.26 106.48 1nfd n ASN 76 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1nfd n ASN 76 Cb 0.01 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.37 1nfd n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1nfd n SER 77 N -1.57 0.00 -3.50 6.41 3.41 -1.20 -3.00 113.62 114.17 1nfd n SER 77 Ca 0.01 -0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 57.91 1nfd n SER 77 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1nfd n SER 77 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1nfd s ILE 78 N -2.56 0.00 0.08 -1.33 -4.36 -1.15 -2.07 121.20 109.81 1nfd s ILE 78 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 60.42 1nfd s ILE 78 Cb 0.00 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 1nfd s ILE 78 CO 0.00 0.00 -0.09 -0.31 0.24 0.00 0.00 174.94 174.78 1nfd s TYR 79 N -2.27 0.96 -0.42 1.37 1.51 0.63 -0.21 117.35 118.93 1nfd s TYR 79 Ca -0.03 -0.65 0.04 0.00 -1.01 0.00 0.00 57.07 55.42 1nfd s TYR 79 Cb -0.01 -0.54 0.11 0.00 -0.11 0.00 0.00 41.96 41.42 1nfd s TYR 79 CO -0.02 -0.04 0.14 -1.17 -1.11 0.00 0.00 175.55 173.35 1nfd s LEU 80 N -2.32 4.48 -0.65 -1.29 2.96 0.09 -1.86 118.68 120.08 1nfd s LEU 80 Ca 0.03 -2.51 -0.27 0.00 -0.22 0.00 0.00 54.13 51.16 1nfd s LEU 80 Cb -0.03 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1nfd s LEU 80 CO -0.01 -0.32 1.53 -1.10 -1.32 0.00 0.00 176.35 175.13 1nfd s GLN 81 N 0.41 3.00 -0.42 1.98 -1.52 -0.77 -3.43 119.66 118.92 1nfd s GLN 81 Ca 0.14 0.22 0.04 0.00 -1.95 0.00 0.00 55.36 53.81 1nfd s GLN 81 Cb -0.22 -4.25 0.11 0.00 -0.22 0.00 0.00 33.01 28.44 1nfd s GLN 81 CO -0.05 -2.32 0.15 0.00 -0.25 0.00 0.00 175.29 172.81 1nfd s MET 82 N 6.18 1.66 0.53 2.91 0.23 -0.29 -0.73 119.30 129.78 1nfd s MET 82 Ca 0.51 -2.17 0.03 0.00 -1.03 0.00 0.00 55.69 53.03 1nfd s MET 82 Cb -0.10 -3.19 0.10 0.00 -1.53 0.00 0.00 34.83 30.11 1nfd s MET 82 CO 0.19 -1.02 0.73 0.27 -2.03 0.00 0.00 175.02 173.16 1nfd n ASN 82 N 3.76 1.33 -4.01 -1.18 0.23 -1.23 -1.25 115.26 112.92 1nfd n ASN 82 Ca 0.04 -2.04 -0.27 0.00 -0.53 0.00 0.00 54.58 51.78 1nfd n ASN 82 Cb 0.38 -0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 37.60 1nfd n ASN 82 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1nfd n ARG 82 N -2.28 -2.70 -2.87 -3.83 1.74 0.21 -4.76 116.66 102.18 1nfd n ARG 82 Ca 0.13 0.34 -0.37 0.00 -0.77 0.00 0.00 57.85 57.18 1nfd n ARG 82 Cb 0.47 -4.29 -0.06 0.00 -1.02 0.00 0.00 32.46 27.56 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 -7.03 4.40 0.31 0.55 1.43 -1.23 -4.73 118.68 112.38 1nfd s LEU 82 Ca 0.04 1.73 0.10 0.00 -1.03 0.00 0.00 54.13 54.97 1nfd s LEU 82 Cb -0.02 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 1nfd s LEU 82 CO 0.91 0.01 -0.11 -0.13 0.23 0.00 0.00 176.35 177.25 1nfd s ARG 83 N -1.86 1.84 0.17 1.70 0.52 -1.26 0.10 118.95 120.16 1nfd s ARG 83 Ca 0.46 -1.80 -0.29 0.00 -0.52 0.00 0.00 55.73 53.58 1nfd s ARG 83 Cb -0.19 -1.80 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 1nfd s ARG 83 CO 0.24 0.23 1.54 0.28 0.02 0.00 0.00 175.30 177.62 1nfd h VAL 84 N 2.08 0.00 0.00 3.52 2.07 -1.98 1.17 116.25 123.11 1nfd h VAL 84 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1nfd h VAL 84 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1nfd h VAL 84 CO 0.65 0.00 0.03 -0.90 0.02 0.00 0.00 177.57 177.37 1nfd n ASP 85 N -5.30 0.00 -0.51 0.57 5.75 -1.26 0.70 116.55 116.50 1nfd n ASP 85 Ca 0.03 0.04 0.13 0.00 -0.01 0.00 0.00 54.79 54.98 1nfd n ASP 85 Cb 0.29 -0.04 0.27 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.84 1.79 -4.67 -1.12 9.92 0.40 -4.88 116.55 117.14 1nfd n ASP 86 Ca 0.00 -1.42 -0.42 0.00 -0.53 0.00 0.00 54.79 52.41 1nfd n ASP 86 Cb 0.03 0.15 -0.03 0.00 -0.64 0.00 0.00 41.12 40.64 1nfd n ASP 86 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1nfd s THR 87 N -2.26 3.64 -0.07 -3.53 2.01 0.22 -4.79 115.64 110.86 1nfd s THR 87 Ca 0.27 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1nfd s THR 87 Cb 0.20 -3.57 0.10 0.00 0.01 0.00 0.00 72.50 69.23 1nfd s THR 87 CO 0.44 -0.05 1.34 0.00 -0.69 0.00 0.00 174.62 175.66 1nfd s ALA 88 N 3.38 -2.68 -0.29 7.40 0.00 -0.18 -4.62 121.76 124.77 1nfd s ALA 88 Ca 0.69 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 1nfd s ALA 88 Cb -0.32 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1nfd s ALA 88 CO 0.27 -1.17 0.17 0.42 0.00 0.00 0.00 175.76 175.46 1nfd s ILE 89 N -2.01 5.04 -0.38 0.00 -1.09 -0.93 -0.63 121.20 121.20 1nfd s ILE 89 Ca 0.31 -0.05 -0.20 0.00 -2.23 0.00 0.00 60.65 58.48 1nfd s ILE 89 Cb 0.00 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 1nfd s ILE 89 CO -0.02 0.19 0.60 -0.31 -1.23 0.00 0.00 174.94 174.16 1nfd s TYR 90 N 1.71 3.14 0.01 3.97 1.51 0.26 -2.71 117.35 125.23 1nfd s TYR 90 Ca 0.06 0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1nfd s TYR 90 Cb -0.16 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.52 1nfd s TYR 90 CO 0.09 -0.67 0.17 0.71 -1.11 0.00 0.00 175.55 174.73 1nfd s TYR 91 N 2.64 3.48 -0.07 2.71 1.51 0.63 -3.37 117.35 124.87 1nfd s TYR 91 Ca 0.22 0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.61 1nfd s TYR 91 Cb -0.15 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 1nfd s TYR 91 CO 0.16 0.61 -0.20 0.00 -1.11 0.00 0.00 175.55 175.01 1nfd s THR 93 N 0.25 0.78 0.30 0.00 -1.32 -0.33 -2.53 115.64 112.80 1nfd s THR 93 Ca -0.12 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.41 1nfd s THR 93 Cb -0.15 -2.36 -0.06 0.00 -1.51 0.00 0.00 72.50 68.42 1nfd s THR 93 CO 0.05 0.00 -0.00 0.00 -2.21 0.00 0.00 174.62 172.46 1nfd s ARG 94 N -3.76 1.60 -0.11 7.08 1.70 -1.25 -1.31 118.95 122.90 1nfd s ARG 94 Ca 0.21 -1.85 -0.17 0.00 -0.47 0.00 0.00 55.73 53.45 1nfd s ARG 94 Cb 0.03 -1.02 0.04 0.00 -0.57 0.00 0.00 34.95 33.43 1nfd s ARG 94 CO 0.12 -0.07 0.43 0.00 -1.08 0.00 0.00 175.30 174.71 1nfd s ALA 95 N -3.14 -1.09 0.00 7.88 0.00 -0.01 -1.09 121.76 124.31 1nfd s ALA 95 Ca 0.33 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1nfd s ALA 95 Cb 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1nfd s ALA 95 CO 0.13 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1nfd n GLY 96 N 2.21 4.10 0.23 0.00 0.00 -0.25 0.20 105.19 111.67 1nfd n GLY 96 Ca -0.16 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 44.96 1nfd n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nfd h ARG 97 N 0.00 0.00 0.00 1.61 3.08 -2.03 -3.39 114.38 113.65 1nfd h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nfd h ARG 97 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1nfd h ARG 97 CO 0.00 0.19 0.00 1.19 -1.07 0.00 0.00 179.97 180.28 1nfd n PHE 98 N -3.38 0.00 -3.84 3.04 3.01 -1.26 -5.04 117.46 109.98 1nfd n PHE 98 Ca -0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 1nfd n PHE 98 Cb 0.39 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.00 4.75 -0.13 4.37 1.01 -1.26 -5.09 116.67 120.32 1nfd s ASP 99 Ca 0.00 -0.67 0.02 0.00 0.71 0.00 0.00 52.55 52.61 1nfd s ASP 99 Cb 0.00 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 42.15 1nfd s ASP 99 CO 0.00 -0.13 -0.20 -1.00 0.21 0.00 0.00 175.17 174.05 1nfd s HIS 100 N 1.45 2.49 -1.44 4.23 3.76 -1.26 -1.09 115.29 123.43 1nfd s HIS 100 Ca 0.03 -1.25 -0.06 0.00 -0.15 0.00 0.00 55.06 53.62 1nfd s HIS 100 Cb -0.16 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.82 1nfd s HIS 100 CO -0.00 -0.59 0.25 1.19 -0.85 0.00 0.00 174.74 174.74 1nfd n PHE 100 N 4.14 -1.41 -0.03 1.40 3.72 -0.25 -4.87 117.46 120.15 1nfd n PHE 100 Ca -0.20 0.55 -0.21 0.00 -0.05 0.00 0.00 57.45 57.55 1nfd n PHE 100 Cb 0.51 -3.07 -0.13 0.00 -0.94 0.00 0.00 39.48 35.84 1nfd n PHE 100 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1nfd n ASP 101 N -2.79 2.09 -4.58 4.37 5.68 -1.26 -4.93 116.55 115.13 1nfd n ASP 101 Ca -0.28 0.14 -0.34 0.00 -0.50 0.00 0.00 54.79 53.81 1nfd n ASP 101 Cb 0.67 -0.77 -0.11 0.00 -1.14 0.00 0.00 41.12 39.77 1nfd n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1nfd s TYR 102 N -2.55 2.93 -0.03 2.11 1.51 -1.26 -5.10 117.35 114.96 1nfd s TYR 102 Ca -0.25 0.01 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1nfd s TYR 102 Cb 0.07 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1nfd s TYR 102 CO 0.73 0.34 -0.07 -1.58 -1.11 0.00 0.00 175.55 173.86 1nfd s TRP 103 N -0.83 0.76 0.70 2.71 0.52 -1.26 -3.92 118.94 117.62 1nfd s TRP 103 Ca 0.13 -0.18 -0.14 0.00 0.02 0.00 0.00 56.10 55.92 1nfd s TRP 103 Cb -0.11 -0.58 0.02 0.00 -1.15 0.00 0.00 33.47 31.65 1nfd s TRP 103 CO 0.02 -0.10 1.13 0.20 0.02 0.00 0.00 176.95 178.22 1nfd s GLY 104 N 0.33 2.14 0.65 0.98 0.00 -1.05 -4.85 107.32 105.52 1nfd s GLY 104 Ca -0.05 0.61 0.41 0.00 0.00 0.00 0.00 44.72 45.69 1nfd s GLY 104 CO 0.00 0.97 2.34 -1.61 0.00 0.00 0.00 173.10 174.81 1nfd h GLN 105 N -0.22 0.00 0.00 2.90 5.75 -1.94 -3.44 115.11 118.16 1nfd h GLN 105 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1nfd h GLN 105 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1nfd h GLN 105 CO 0.52 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 177.11 1nfd n GLY 106 N -1.12 -0.62 3.44 2.39 0.00 -1.26 -5.02 105.19 102.99 1nfd n GLY 106 Ca -0.03 -2.17 0.03 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 -0.01 0.25 2.61 -1.32 -1.22 -4.09 115.64 111.87 1nfd s THR 107 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1nfd s THR 107 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1nfd s THR 107 CO 0.00 0.00 0.85 -0.32 -2.21 0.00 0.00 174.62 172.94 1nfd s MET 108 N 1.44 4.55 -0.23 7.08 1.75 -1.26 -0.57 119.30 132.05 1nfd s MET 108 Ca -0.04 1.21 -0.01 0.00 -1.25 0.00 0.00 55.69 55.59 1nfd s MET 108 Cb -0.01 -3.00 0.07 0.00 2.84 0.00 0.00 34.83 34.72 1nfd s MET 108 CO -0.12 0.41 0.02 0.08 -0.65 0.00 0.00 175.02 174.76 1nfd s VAL 109 N -1.41 0.96 -0.45 10.11 1.01 0.20 -0.99 120.40 129.84 1nfd s VAL 109 Ca 0.44 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1nfd s VAL 109 Cb -0.20 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 34.82 1nfd s VAL 109 CO 0.25 -0.27 0.33 -0.89 0.00 0.00 0.00 175.10 174.51 1nfd s THR 110 N 1.64 4.63 -0.79 3.92 2.01 0.88 -1.01 115.64 126.91 1nfd s THR 110 Ca -0.00 -1.33 -0.15 0.00 0.31 0.00 0.00 61.69 60.53 1nfd s THR 110 Cb -0.18 -3.83 0.20 0.00 0.01 0.00 0.00 72.50 68.70 1nfd s THR 110 CO -0.11 -0.58 0.75 -0.69 -0.69 0.00 0.00 174.62 173.31 1nfd s VAL 111 N 1.50 5.51 0.06 3.82 1.01 -1.26 0.14 120.40 131.18 1nfd s VAL 111 Ca 0.04 -2.28 -0.14 0.00 0.00 0.00 0.00 61.98 59.59 1nfd s VAL 111 Cb -0.24 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.69 1nfd s VAL 111 CO 0.03 -1.04 0.32 -0.55 0.00 0.00 0.00 175.10 173.87 1nfd s SER 112 N 2.44 -0.14 -0.99 3.32 0.15 0.30 -3.76 113.70 115.03 1nfd s SER 112 Ca 0.17 -0.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 1nfd s SER 112 Cb -0.13 0.38 0.25 0.00 -1.71 0.00 0.00 66.02 64.81 1nfd s SER 112 CO -0.07 -0.67 2.12 -1.54 1.20 0.00 0.00 173.24 174.28 1nfd n SER 113 N 0.39 7.46 -3.91 5.45 3.41 -1.26 -3.77 113.62 121.39 1nfd n SER 113 Ca -0.18 -3.53 -0.13 0.00 -0.26 0.00 0.00 58.87 54.77 1nfd n SER 113 Cb 0.60 -1.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 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 -3.20 1.09 0.16 7.33 0.00 -1.26 -5.10 121.76 120.79 1nfd s ALA 114 Ca 0.48 -1.66 0.06 0.00 0.00 0.00 0.00 51.96 50.84 1nfd s ALA 114 Cb 0.27 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.69 1nfd s ALA 114 CO -0.19 -0.66 -0.12 0.99 0.00 0.00 0.00 175.76 175.78 1nfd s THR 115 N -3.89 1.37 -0.99 0.00 2.01 -1.26 -4.97 115.64 107.91 1nfd s THR 115 Ca 0.36 -2.08 -0.29 0.00 0.31 0.00 0.00 61.69 60.00 1nfd s THR 115 Cb 0.04 -1.88 -0.23 0.00 0.01 0.00 0.00 72.50 70.45 1nfd s THR 115 CO 0.16 -0.67 2.63 0.41 -0.69 0.00 0.00 174.62 176.46 1nfd n THR 116 N -0.18 0.00 -3.51 -0.82 -1.04 -1.26 -4.86 114.28 102.61 1nfd n THR 116 Ca -0.10 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.45 1nfd n THR 116 Cb 0.60 -0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 68.57 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 8.27 4.59 0.58 12.58 2.01 -1.26 -4.88 115.64 137.53 1nfd s THR 117 Ca 1.34 -1.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.75 1nfd s THR 117 Cb -1.22 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 67.38 1nfd s THR 117 CO 0.49 -0.62 0.78 0.00 -0.69 0.00 0.00 174.62 174.58 1nfd n ALA 118 N 5.03 -0.38 -2.21 7.40 0.00 -1.26 -3.88 120.51 125.21 1nfd n ALA 118 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 1nfd n ALA 118 Cb 0.42 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.45 3.51 -0.15 0.00 0.04 -1.26 -4.31 135.00 130.38 1nfd s PRO 119 Ca 0.73 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.00 1nfd s PRO 119 Cb -0.43 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 31.82 1nfd s PRO 119 CO 0.50 -0.29 0.03 0.45 0.04 0.00 0.00 177.00 177.73 1nfd s SER 120 N -4.13 2.36 0.19 6.66 0.15 0.73 -4.88 113.70 114.79 1nfd s SER 120 Ca 0.49 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 56.47 1nfd s SER 120 Cb -0.10 -0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 63.62 1nfd s SER 120 CO 0.46 -0.27 0.59 0.68 1.20 0.00 0.00 173.24 175.90 1nfd s VAL 121 N 1.92 4.82 -0.16 4.45 -7.23 -1.23 0.47 120.40 123.43 1nfd s VAL 121 Ca 0.02 0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 60.99 1nfd s VAL 121 Cb -0.15 -3.71 0.05 0.00 0.56 0.00 0.00 36.38 33.12 1nfd s VAL 121 CO -0.07 0.13 0.00 -0.31 -0.31 0.00 0.00 175.10 174.54 1nfd s TYR 122 N -1.60 1.20 -0.57 2.82 1.51 -1.04 -4.76 117.35 114.92 1nfd s TYR 122 Ca 0.42 -0.83 -0.31 0.00 -1.01 0.00 0.00 57.07 55.34 1nfd s TYR 122 Cb -0.14 -1.09 -0.13 0.00 -0.11 0.00 0.00 41.96 40.50 1nfd s TYR 122 CO 0.20 -0.57 2.40 -2.30 -1.11 0.00 0.00 175.55 174.17 1nfd n PRO 123 N 5.00 0.76 -2.89 -1.71 -0.02 -1.26 -2.07 135.00 132.81 1nfd n PRO 123 Ca -0.09 0.12 -0.44 0.00 -2.02 0.00 0.00 63.50 61.06 1nfd n PRO 123 Cb 0.48 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1nfd n PRO 123 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1nfd n LEU 124 N 11.82 5.25 -4.95 2.45 -0.00 -0.68 -4.99 117.00 125.91 1nfd n LEU 124 Ca 0.47 -4.42 -0.23 0.00 -0.00 0.00 0.00 56.01 51.83 1nfd n LEU 124 Cb 0.27 -1.63 0.00 0.00 -0.00 0.00 0.00 43.42 42.06 1nfd n LEU 124 CO 0.80 0.70 0.25 0.00 -0.00 0.00 0.00 177.39 179.13 1nfd s ALA 125 N 1.78 3.74 0.00 1.47 0.00 -1.26 -3.13 121.76 124.36 1nfd s ALA 125 Ca 0.44 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1nfd s ALA 125 Cb -0.02 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1nfd s ALA 125 CO 0.01 -0.25 0.00 -0.35 0.00 0.00 0.00 175.76 175.17 1nfd n PRO 126 N -1.98 0.00 0.00 0.00 -0.04 -1.26 -4.45 135.00 127.27 1nfd n PRO 126 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1nfd n PRO 126 Cb 0.57 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.02 0.48 -3.18 0.55 0.00 -1.26 -3.76 120.51 114.36 1nfd n ALA 127 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1nfd n ALA 127 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 1nfd n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfd s ASP 129 N 2.80 6.38 1.20 0.00 1.01 -1.25 -5.04 116.67 121.78 1nfd s ASP 129 Ca 0.13 -1.76 -0.18 0.00 0.71 0.00 0.00 52.55 51.45 1nfd s ASP 129 Cb -0.12 -2.32 0.26 0.00 1.01 0.00 0.00 42.92 41.76 1nfd s ASP 129 CO -0.25 -1.03 0.58 -1.20 0.21 0.00 0.00 175.17 173.48 1nfd n SER 130 N 6.07 -3.44 0.00 0.27 7.64 -1.26 -4.82 113.62 118.09 1nfd n SER 130 Ca 0.03 -0.58 0.11 0.00 1.01 0.00 0.00 58.87 59.44 1nfd n SER 130 Cb 0.45 -0.88 0.64 0.00 -1.01 0.00 0.00 64.21 63.40 1nfd n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nfd n THR 131 N -5.01 0.10 -3.61 0.44 -2.24 -1.26 -4.76 114.28 97.94 1nfd n THR 131 Ca 0.09 0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1nfd n THR 131 Cb 0.45 -0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 67.95 1nfd n THR 131 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nfd s THR 132 N -2.18 0.00 0.00 4.28 -4.23 -1.26 -5.14 115.64 107.10 1nfd s THR 132 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1nfd s THR 132 Cb 0.15 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1nfd s THR 132 CO 0.29 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.13 1nfd n SER 133 N 1.92 0.00 -1.55 3.99 2.88 -1.26 -4.98 113.62 114.62 1nfd n SER 133 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1nfd n SER 133 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1nfd n SER 133 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1nfd n THR 134 N 0.00 0.58 -0.11 2.46 -1.04 -1.26 -4.69 114.28 110.22 1nfd n THR 134 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1nfd n THR 134 Cb 0.00 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 1.49 0.00 0.08 12.58 -2.24 -1.26 -4.32 114.28 120.61 1nfd n THR 135 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1nfd n THR 135 Cb 0.17 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 68.88 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 2.44 0.32 -2.10 3.42 3.58 -1.97 -3.43 116.42 118.68 1nfd h ASP 136 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1nfd h ASP 136 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1nfd h ASP 136 CO 0.00 0.26 0.00 0.35 -2.88 0.00 0.00 179.24 176.97 1nfd n THR 137 N -4.47 0.00 -3.91 2.25 -2.24 -1.26 -3.42 114.28 101.23 1nfd n THR 137 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1nfd n THR 137 Cb 0.09 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.01 0.05 0.04 2.28 1.01 1.11 -4.59 120.40 119.30 1nfd s VAL 138 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1nfd s VAL 138 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 1nfd s VAL 138 CO 0.00 -0.08 -0.04 -0.89 0.00 0.00 0.00 175.10 174.09 1nfd s THR 139 N -0.26 0.31 0.00 3.92 2.01 -1.26 0.52 115.64 120.89 1nfd s THR 139 Ca -0.03 -1.35 -0.08 0.00 0.31 0.00 0.00 61.69 60.54 1nfd s THR 139 Cb -0.02 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.62 1nfd s THR 139 CO -0.00 -0.68 0.38 0.00 -0.69 0.00 0.00 174.62 173.63 1nfd n LEU 140 N 0.90 0.00 0.00 4.42 -0.00 -0.98 -4.55 117.00 116.79 1nfd n LEU 140 Ca -0.19 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.64 1nfd n LEU 140 Cb 0.58 0.61 0.00 0.00 -0.00 0.00 0.00 43.42 44.61 1nfd n LEU 140 CO 0.24 -0.06 0.00 0.61 -0.00 0.00 0.00 177.39 178.18 1nfd n GLY 141 N -0.27 0.89 3.06 1.47 0.00 -1.18 -0.39 105.19 108.78 1nfd n GLY 141 Ca 0.01 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.91 5.95 -0.34 0.00 2.96 -0.88 -2.25 118.68 123.21 1nfd s LEU 143 Ca -0.01 -3.24 -0.28 0.00 -0.22 0.00 0.00 54.13 50.38 1nfd s LEU 143 Cb -0.07 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1nfd s LEU 143 CO 0.00 -0.34 2.10 -0.69 -1.32 0.00 0.00 176.35 176.10 1nfd s VAL 144 N -0.66 3.18 -0.01 1.68 1.01 0.32 -2.48 120.40 123.44 1nfd s VAL 144 Ca 0.23 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1nfd s VAL 144 Cb -0.12 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1nfd s VAL 144 CO -0.08 -0.21 -0.14 -0.75 0.00 0.00 0.00 175.10 173.91 1nfd s LYS 145 N 6.59 1.11 0.00 2.72 2.20 0.18 0.11 119.74 132.65 1nfd s LYS 145 Ca 0.91 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1nfd s LYS 145 Cb -0.25 -1.07 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 1nfd s LYS 145 CO 0.31 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1nfd n GLY 146 N 2.72 0.99 3.77 5.54 0.00 -1.23 -0.19 105.19 116.79 1nfd n GLY 146 Ca -0.14 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 2.65 0.00 1.61 1.13 -0.78 -4.35 117.35 115.60 1nfd s TYR 147 Ca 0.00 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 55.14 1nfd s TYR 147 Cb 0.00 -1.93 0.00 0.00 -1.10 0.00 0.00 41.96 38.93 1nfd s TYR 147 CO 0.00 0.16 0.00 0.34 -2.51 0.00 0.00 175.55 173.54 1nfd n PHE 148 N -1.28 -0.53 -0.10 -3.49 -0.00 -1.25 0.24 117.46 111.04 1nfd n PHE 148 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.43 1nfd n PHE 148 Cb 0.63 0.37 0.01 0.00 -0.00 0.00 0.00 39.48 40.49 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 -2.24 0.94 -0.77 -7.13 -0.02 -1.26 -4.77 135.00 119.74 1nfd n PRO 149 Ca 0.00 -0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.31 1nfd n PRO 149 Cb 0.00 -0.19 0.03 0.00 -0.02 0.00 0.00 33.50 33.32 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 -0.26 -0.33 -0.78 -0.52 1.02 -1.26 -4.89 120.64 113.62 1nfd n GLU 150 Ca 0.01 -0.10 -0.32 0.00 -0.02 0.00 0.00 57.16 56.73 1nfd n GLU 150 Cb 0.02 -1.07 0.15 0.00 -0.02 0.00 0.00 31.44 30.52 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 1.54 -0.31 -4.57 3.49 -0.02 -1.26 -4.91 135.00 128.96 1nfd n PRO 151 Ca 0.00 -0.02 -0.26 0.00 -2.02 0.00 0.00 63.50 61.20 1nfd n PRO 151 Cb 0.22 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 1nfd n PRO 151 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1nfd s VAL 152 N -2.49 1.40 -0.01 -1.45 -7.23 -1.26 -4.46 120.40 104.89 1nfd s VAL 152 Ca 0.66 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1nfd s VAL 152 Cb -0.24 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 1nfd s VAL 152 CO 0.58 0.00 -0.17 0.28 -0.31 0.00 0.00 175.10 175.49 1nfd s THR 153 N -3.00 2.88 -0.26 5.32 -1.32 0.96 -5.01 115.64 115.20 1nfd s THR 153 Ca 0.29 -0.93 -0.03 0.00 -1.21 0.00 0.00 61.69 59.81 1nfd s THR 153 Cb 0.07 -2.15 0.11 0.00 -1.51 0.00 0.00 72.50 69.02 1nfd s THR 153 CO 0.14 0.49 0.20 -0.69 -2.21 0.00 0.00 174.62 172.56 1nfd s VAL 154 N -0.80 -0.24 0.37 5.08 1.01 -1.26 0.17 120.40 124.72 1nfd s VAL 154 Ca 0.13 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1nfd s VAL 154 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1nfd s VAL 154 CO 0.02 -0.49 0.24 -0.55 0.00 0.00 0.00 175.10 174.32 1nfd s SER 156 N 2.24 4.88 -0.04 3.32 0.15 -0.30 -4.97 113.70 118.99 1nfd s SER 156 Ca 0.08 -0.74 0.06 0.00 0.70 0.00 0.00 55.95 56.05 1nfd s SER 156 Cb -0.15 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.43 1nfd s SER 156 CO -0.28 -0.43 -0.23 0.26 1.20 0.00 0.00 173.24 173.76 1nfd s TRP 157 N -2.43 2.15 -1.23 3.44 0.52 -1.26 0.66 118.94 120.79 1nfd s TRP 157 Ca 0.41 -0.53 -0.15 0.00 0.02 0.00 0.00 56.10 55.85 1nfd s TRP 157 Cb -0.03 -1.41 0.15 0.00 -1.15 0.00 0.00 33.47 31.04 1nfd s TRP 157 CO 0.25 -0.13 0.40 0.09 0.02 0.00 0.00 176.95 177.59 1nfd n ASN 162 N 2.78 -1.77 -3.56 2.95 4.13 0.14 0.27 115.26 120.21 1nfd n ASN 162 Ca -0.17 -0.61 -0.21 0.00 1.68 0.00 0.00 54.58 55.27 1nfd n ASN 162 Cb 0.52 -1.57 0.08 0.00 -1.54 0.00 0.00 39.78 37.27 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 -2.14 -4.24 0.00 6.41 3.41 -1.26 -2.07 113.62 113.72 1nfd n SER 163 Ca 0.07 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1nfd n SER 163 Cb 0.47 -4.94 0.00 0.00 -0.26 0.00 0.00 64.21 59.48 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 -1.61 2.79 0.33 5.00 0.00 0.14 -4.84 105.19 107.00 1nfd n GLY 164 Ca -0.13 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.12 1nfd n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfd h ALA 165 N 0.00 1.74 -2.10 4.61 0.00 -1.40 -3.19 119.26 118.91 1nfd h ALA 165 Ca 0.00 0.26 -0.73 0.00 0.00 0.00 0.00 54.91 54.44 1nfd h ALA 165 Cb 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 17.79 17.92 1nfd h ALA 165 CO 0.00 -0.69 -0.11 -0.51 0.00 0.00 0.00 179.25 177.94 1nfd s LEU 166 N -10.62 5.61 -0.06 0.00 1.43 -1.18 -4.83 118.68 109.02 1nfd s LEU 166 Ca -0.11 -1.41 0.08 0.00 -1.03 0.00 0.00 54.13 51.66 1nfd s LEU 166 Cb 0.30 -2.27 -0.12 0.00 0.03 0.00 0.00 46.19 44.13 1nfd s LEU 166 CO 0.78 -0.87 0.10 0.41 0.23 0.00 0.00 176.35 176.99 1nfd n THR 167 N 5.38 0.36 -3.79 5.49 -1.04 -1.21 -4.48 114.28 115.00 1nfd n THR 167 Ca -0.11 -0.31 -0.35 0.00 -2.04 0.00 0.00 64.05 61.24 1nfd n THR 167 Cb 0.43 -0.36 -0.08 0.00 -1.82 0.00 0.00 70.33 68.49 1nfd n THR 167 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nfd s SER 168 N -3.68 6.13 0.00 8.00 0.01 -1.26 -4.06 113.70 118.83 1nfd s SER 168 Ca -0.04 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1nfd s SER 168 Cb 0.04 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1nfd s SER 168 CO 0.37 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.83 1nfd n GLY 169 N 3.38 0.68 3.83 3.44 0.00 -1.26 -4.70 105.19 110.56 1nfd n GLY 169 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.02 4.70 -0.44 1.61 1.01 -1.26 0.16 120.40 124.16 1nfd s VAL 171 Ca 0.00 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.15 1nfd s VAL 171 Cb 0.00 -3.82 0.24 0.00 0.00 0.00 0.00 36.38 32.81 1nfd s VAL 171 CO 0.00 0.26 0.69 1.41 0.00 0.00 0.00 175.10 177.46 1nfd n HIS 172 N 0.86 -1.81 -2.32 5.22 8.25 -1.05 -4.91 115.22 119.47 1nfd n HIS 172 Ca -0.04 -2.69 -0.42 0.00 -0.26 0.00 0.00 57.72 54.30 1nfd n HIS 172 Cb 0.51 0.57 -0.02 0.00 1.12 0.00 0.00 29.99 32.17 1nfd n HIS 172 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1nfd s THR 173 N -0.27 3.81 1.00 1.59 2.01 -1.26 -2.61 115.64 119.92 1nfd s THR 173 Ca 0.34 0.79 -0.16 0.00 0.31 0.00 0.00 61.69 62.96 1nfd s THR 173 Cb 0.19 -4.20 0.20 0.00 0.01 0.00 0.00 72.50 68.70 1nfd s THR 173 CO -0.18 -0.84 1.24 -0.36 -0.69 0.00 0.00 174.62 173.79 1nfd s PHE 174 N 5.88 1.54 0.46 4.92 0.40 -1.20 -5.03 117.98 124.95 1nfd s PHE 174 Ca 0.61 0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 57.35 1nfd s PHE 174 Cb -0.14 -3.82 -0.04 0.00 0.51 0.00 0.00 43.02 39.54 1nfd s PHE 174 CO 0.30 -2.85 0.76 -1.25 0.70 0.00 0.00 175.22 172.88 1nfd s PRO 175 N -5.67 3.55 0.68 0.24 0.05 -1.26 -4.80 135.00 127.79 1nfd s PRO 175 Ca 0.71 0.16 -0.10 0.00 0.05 0.00 0.00 61.00 61.82 1nfd s PRO 175 Cb -0.07 -2.40 0.16 0.00 0.05 0.00 0.00 34.50 32.23 1nfd s PRO 175 CO 0.53 -0.16 0.36 0.43 0.05 0.00 0.00 177.00 178.21 1nfd n SER 176 N -2.16 -2.69 -3.40 6.66 7.64 -1.26 -4.85 113.62 113.55 1nfd n SER 176 Ca 0.00 -0.36 0.02 0.00 1.01 0.00 0.00 58.87 59.54 1nfd n SER 176 Cb 0.55 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1nfd n SER 176 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1nfd s VAL 177 N -1.47 -0.20 -0.55 0.44 -7.23 -1.23 -4.96 120.40 105.20 1nfd s VAL 177 Ca 0.28 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 60.17 1nfd s VAL 177 Cb -0.05 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.89 1nfd s VAL 177 CO 0.23 0.00 1.57 -0.22 -0.31 0.00 0.00 175.10 176.37 1nfd s LEU 178 N 1.94 3.38 -1.08 1.32 1.98 -1.26 -2.80 118.68 122.16 1nfd s LEU 178 Ca -0.03 0.41 -0.06 0.00 -2.89 0.00 0.00 54.13 51.56 1nfd s LEU 178 Cb -0.03 -2.97 0.29 0.00 0.66 0.00 0.00 46.19 44.14 1nfd s LEU 178 CO -0.15 -1.88 1.26 1.57 -1.89 0.00 0.00 176.35 175.26 1nfd n HIS 179 N 10.44 3.80 -3.04 5.38 -0.00 0.16 -4.66 115.22 127.30 1nfd n HIS 179 Ca 0.15 -3.32 -0.13 0.00 -0.00 0.00 0.00 57.72 54.42 1nfd n HIS 179 Cb 0.50 -1.44 0.06 0.00 -0.00 0.00 0.00 29.99 29.11 1nfd n HIS 179 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1nfd n SER 180 N 1.98 -4.10 -1.59 0.26 7.64 -1.26 -3.06 113.62 113.49 1nfd n SER 180 Ca 0.25 -0.55 -0.11 0.00 1.01 0.00 0.00 58.87 59.47 1nfd n SER 180 Cb 0.36 -4.33 0.01 0.00 -1.01 0.00 0.00 64.21 59.25 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 -1.20 0.05 3.15 0.23 0.00 -1.26 -5.01 105.19 101.15 1nfd n GLY 183 Ca -0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.55 -1.02 0.09 0.99 1.43 -1.17 -4.87 118.68 110.57 1nfd s LEU 184 Ca 0.13 0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 1nfd s LEU 184 Cb -0.06 1.75 -0.05 0.00 0.03 0.00 0.00 46.19 47.86 1nfd s LEU 184 CO 0.16 -0.26 1.02 -0.31 0.23 0.00 0.00 176.35 177.18 1nfd s TYR 185 N 2.73 3.69 0.12 0.29 2.02 0.65 0.36 117.35 127.22 1nfd s TYR 185 Ca 0.12 1.68 0.05 0.00 -0.37 0.00 0.00 57.07 58.56 1nfd s TYR 185 Cb -0.14 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 1nfd s TYR 185 CO -0.18 -0.15 -0.13 -1.12 -1.57 0.00 0.00 175.55 172.40 1nfd s SER 186 N 0.38 1.86 -0.17 2.29 0.01 -1.12 -1.87 113.70 115.07 1nfd s SER 186 Ca 0.50 -0.85 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 1nfd s SER 186 Cb -0.24 -0.04 0.12 0.00 0.21 0.00 0.00 66.02 66.06 1nfd s SER 186 CO 0.30 -0.20 0.95 -0.22 0.41 0.00 0.00 173.24 174.48 1nfd s LEU 187 N -2.58 -0.44 0.56 2.44 2.96 0.31 -3.47 118.68 118.46 1nfd s LEU 187 Ca 0.10 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.65 1nfd s LEU 187 Cb -0.03 1.99 0.05 0.00 0.50 0.00 0.00 46.19 48.69 1nfd s LEU 187 CO 0.02 -0.34 0.42 -0.94 -1.32 0.00 0.00 176.35 174.19 1nfd s SER 188 N -0.77 4.61 -0.29 3.68 1.04 -1.25 0.12 113.70 120.84 1nfd s SER 188 Ca -0.02 -1.29 0.02 0.00 0.48 0.00 0.00 55.95 55.13 1nfd s SER 188 Cb -0.02 0.54 0.19 0.00 0.10 0.00 0.00 66.02 66.83 1nfd s SER 188 CO 0.01 -1.17 0.57 -0.55 0.98 0.00 0.00 173.24 173.08 1nfd s SER 189 N -4.31 -1.28 1.13 7.02 0.15 -0.95 -3.27 113.70 112.18 1nfd s SER 189 Ca 0.32 0.49 -0.18 0.00 0.70 0.00 0.00 55.95 57.29 1nfd s SER 189 Cb -0.02 1.99 0.26 0.00 -1.71 0.00 0.00 66.02 66.53 1nfd s SER 189 CO 0.20 -0.28 1.16 -0.44 1.20 0.00 0.00 173.24 175.08 1nfd s SER 190 N 2.81 1.60 -0.30 5.45 0.01 -1.07 -2.94 113.70 119.25 1nfd s SER 190 Ca 0.15 0.59 -0.17 0.00 1.31 0.00 0.00 55.95 57.84 1nfd s SER 190 Cb -0.13 -0.82 0.18 0.00 0.21 0.00 0.00 66.02 65.46 1nfd s SER 190 CO -0.23 -3.70 1.15 0.54 0.41 0.00 0.00 173.24 171.40 1nfd s VAL 191 N -3.21 -0.24 -0.03 3.43 0.11 0.48 -2.53 120.40 118.41 1nfd s VAL 191 Ca 0.71 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1nfd s VAL 191 Cb -0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1nfd s VAL 191 CO 0.55 0.00 0.00 -0.89 -3.33 0.00 0.00 175.10 171.43 1nfd s THR 192 N 2.45 4.20 0.10 5.04 2.01 0.42 -2.33 115.64 127.53 1nfd s THR 192 Ca -0.02 -0.49 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 1nfd s THR 192 Cb -0.05 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.65 1nfd s THR 192 CO -0.15 0.45 0.39 0.68 -0.69 0.00 0.00 174.62 175.30 1nfd s VAL 193 N -1.02 0.07 1.22 3.82 -7.23 0.19 -4.53 120.40 112.91 1nfd s VAL 193 Ca 0.18 -0.60 -0.14 0.00 -1.81 0.00 0.00 61.98 59.61 1nfd s VAL 193 Cb -0.11 -1.13 0.31 0.00 0.56 0.00 0.00 36.38 36.01 1nfd s VAL 193 CO 0.08 -0.33 1.00 -2.84 -0.31 0.00 0.00 175.10 172.70 1nfd s PRO 194 N -3.53 -1.39 0.00 4.82 0.02 -1.26 0.36 135.00 134.02 1nfd s PRO 194 Ca 0.01 0.76 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1nfd s PRO 194 Cb 0.02 -1.50 0.00 0.00 0.02 0.00 0.00 34.50 33.03 1nfd s PRO 194 CO -0.10 -4.02 0.59 0.43 -0.33 0.00 0.00 177.00 173.58 1nfd n SER 195 N -5.12 0.00 0.00 2.53 7.64 -1.22 -2.56 113.62 114.89 1nfd n SER 195 Ca 0.03 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1nfd n SER 195 Cb 0.55 -0.09 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 -1.54 -3.01 0.00 0.00 175.04 170.49 1nfd n SER 196 N -1.03 0.00 0.00 6.43 3.41 -1.26 -3.82 113.62 117.35 1nfd n SER 196 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1nfd n SER 196 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1nfd n SER 196 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nfd n THR 198 N -0.99 0.00 0.08 6.66 -1.04 -1.06 -4.28 114.28 113.65 1nfd n THR 198 Ca 0.00 1.02 -0.10 0.00 -2.04 0.00 0.00 64.05 62.93 1nfd n THR 198 Cb 0.01 -1.91 -0.07 0.00 -1.82 0.00 0.00 70.33 66.55 1nfd n THR 198 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1nfd h TRP 199 N 0.00 -0.25 -0.40 -1.42 7.01 -1.73 0.73 115.95 119.88 1nfd h TRP 199 Ca 0.00 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.15 1nfd h TRP 199 Cb 0.00 0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.07 1nfd h TRP 199 CO 0.10 0.12 0.16 -2.30 -2.79 0.00 0.00 178.44 173.72 1nfd n PRO 200 N -4.96 -0.03 -0.06 2.65 -0.02 -1.26 0.11 135.00 131.44 1nfd n PRO 200 Ca -0.07 0.57 -0.22 0.00 -2.02 0.00 0.00 63.50 61.76 1nfd n PRO 200 Cb 0.24 -0.99 -0.13 0.00 -0.02 0.00 0.00 33.50 32.61 1nfd n PRO 200 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nfd n LYS 202 N -4.06 0.68 -2.75 -0.52 4.81 -1.22 -4.91 118.16 110.19 1nfd n LYS 202 Ca 0.14 0.31 -0.42 0.00 -0.87 0.00 0.00 58.31 57.47 1nfd n LYS 202 Cb 0.46 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.82 1nfd n LYS 202 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1nfd s GLN 203 N -2.50 4.48 -0.36 1.64 2.00 0.31 -4.99 119.66 120.23 1nfd s GLN 203 Ca -0.28 1.33 -0.28 0.00 -2.00 0.00 0.00 55.36 54.13 1nfd s GLN 203 Cb 0.08 -3.50 -0.03 0.00 0.80 0.00 0.00 33.01 30.36 1nfd s GLN 203 CO 0.67 -0.16 1.91 -1.25 -0.50 0.00 0.00 175.29 175.96 1nfd s PRO 204 N 1.44 3.12 -0.30 1.67 0.04 -1.26 -4.38 135.00 135.33 1nfd s PRO 204 Ca 0.48 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 1nfd s PRO 204 Cb -0.19 -4.28 0.02 0.00 0.04 0.00 0.00 34.50 30.09 1nfd s PRO 204 CO 0.22 -2.11 0.06 0.42 0.04 0.00 0.00 177.00 175.63 1nfd s ILE 205 N 7.76 3.72 0.08 0.56 -1.09 -1.26 -4.96 121.20 126.00 1nfd s ILE 205 Ca 0.82 -0.90 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1nfd s ILE 205 Cb -0.22 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1nfd s ILE 205 CO 0.31 0.01 -0.23 0.42 -1.23 0.00 0.00 174.94 174.23 1nfd s THR 206 N 1.44 1.89 -0.54 2.92 -4.23 -1.26 -2.87 115.64 112.97 1nfd s THR 206 Ca 0.01 -1.45 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 1nfd s THR 206 Cb -0.18 -1.66 0.14 0.00 1.34 0.00 0.00 72.50 72.14 1nfd s THR 206 CO 0.01 0.13 0.37 0.00 -0.54 0.00 0.00 174.62 174.59 1nfd s ASN 209 N 1.53 4.94 0.55 0.00 -0.87 0.21 -3.60 114.94 117.70 1nfd s ASN 209 Ca 0.12 0.43 -0.09 0.00 -1.57 0.00 0.00 52.86 51.75 1nfd s ASN 209 Cb -0.21 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.45 1nfd s ASN 209 CO -0.04 -2.64 0.92 -0.69 -2.57 0.00 0.00 177.10 172.09 1nfd s VAL 210 N 10.38 4.77 -0.27 1.60 1.01 0.87 -1.15 120.40 137.61 1nfd s VAL 210 Ca 0.77 0.64 -0.24 0.00 0.00 0.00 0.00 61.98 63.16 1nfd s VAL 210 Cb -0.13 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.47 1nfd s VAL 210 CO 0.19 -0.96 0.73 0.00 0.00 0.00 0.00 175.10 175.06 1nfd s ALA 211 N -2.92 -1.80 -0.03 5.51 0.00 0.13 -1.01 121.76 121.63 1nfd s ALA 211 Ca 0.52 2.08 -0.01 0.00 0.00 0.00 0.00 51.96 54.55 1nfd s ALA 211 Cb -0.11 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.82 1nfd s ALA 211 CO 0.47 -0.34 0.05 -1.58 0.00 0.00 0.00 175.76 174.36 1nfd s HIS 212 N 0.56 0.05 0.59 0.00 2.46 -0.99 -0.03 115.29 117.93 1nfd s HIS 212 Ca -0.01 0.22 0.33 0.00 0.47 0.00 0.00 55.06 56.07 1nfd s HIS 212 Cb -0.05 -0.42 1.80 0.00 -0.13 0.00 0.00 32.58 33.78 1nfd s HIS 212 CO -0.02 -0.16 2.01 -1.00 -2.47 0.00 0.00 174.74 173.09 1nfd h PRO 213 N 8.14 0.00 0.00 2.88 0.13 -1.91 -2.85 132.00 138.38 1nfd h PRO 213 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1nfd h PRO 213 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1nfd h PRO 213 CO 0.24 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.01 1nfd n ALA 214 N -1.92 0.00 -2.36 -0.56 0.00 -1.26 -4.04 120.51 110.37 1nfd n ALA 214 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1nfd n ALA 214 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.75 1nfd n ALA 214 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nfd n SER 215 N 0.00 7.21 -3.90 0.00 2.88 -1.26 -4.85 113.62 113.71 1nfd n SER 215 Ca 0.00 -3.75 -0.34 0.00 -1.33 0.00 0.00 58.87 53.45 1nfd n SER 215 Cb 0.00 -1.08 0.01 0.00 -0.75 0.00 0.00 64.21 62.39 1nfd n SER 215 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1nfd n SER 216 N -0.28 -3.81 -4.40 -3.46 7.64 -1.21 -4.81 113.62 103.29 1nfd n SER 216 Ca 0.49 -1.04 -0.45 0.00 1.01 0.00 0.00 58.87 58.87 1nfd n SER 216 Cb 0.27 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.06 1nfd n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nfd s THR 217 N -3.39 5.16 -0.50 0.44 -4.23 -1.08 -4.95 115.64 107.09 1nfd s THR 217 Ca 0.27 -2.11 -0.21 0.00 -1.18 0.00 0.00 61.69 58.46 1nfd s THR 217 Cb -0.15 -4.66 0.04 0.00 1.34 0.00 0.00 72.50 69.07 1nfd s THR 217 CO 0.83 -1.32 0.72 -0.54 -0.54 0.00 0.00 174.62 173.77 1nfd s LYS 218 N 1.42 3.22 -0.14 3.99 1.02 -1.26 -2.35 119.74 125.64 1nfd s LYS 218 Ca 0.28 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.65 1nfd s LYS 218 Cb -0.07 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 1nfd s LYS 218 CO -0.08 -1.24 -0.00 0.08 -0.92 0.00 0.00 175.35 173.18 1nfd s VAL 219 N 3.04 4.22 -0.56 3.17 1.01 -0.18 -4.94 120.40 126.15 1nfd s VAL 219 Ca 0.21 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1nfd s VAL 219 Cb -0.16 -2.84 0.16 0.00 0.00 0.00 0.00 36.38 33.55 1nfd s VAL 219 CO 0.16 0.52 0.40 -1.81 0.00 0.00 0.00 175.10 174.37 1nfd s ASP 220 N 0.01 3.48 -0.06 3.32 1.01 -1.26 0.30 116.67 123.47 1nfd s ASP 220 Ca 0.02 -3.41 -0.29 0.00 0.71 0.00 0.00 52.55 49.59 1nfd s ASP 220 Cb -0.13 -1.14 -0.02 0.00 1.01 0.00 0.00 42.92 42.64 1nfd s ASP 220 CO 0.02 -0.14 0.96 -0.54 0.21 0.00 0.00 175.17 175.68 1nfd s LYS 221 N -0.67 4.48 -0.09 8.23 -0.14 -1.24 -4.92 119.74 125.39 1nfd s LYS 221 Ca 0.27 1.34 -0.21 0.00 -1.36 0.00 0.00 55.97 56.00 1nfd s LYS 221 Cb -0.05 -3.50 -0.04 0.00 -1.68 0.00 0.00 37.83 32.57 1nfd s LYS 221 CO -0.15 -0.16 0.61 0.21 -0.76 0.00 0.00 175.35 175.09 1nfd s LYS 222 N 1.45 4.39 -0.45 1.68 2.20 -1.26 -2.83 119.74 124.92 1nfd s LYS 222 Ca 0.48 0.69 -0.18 0.00 -0.36 0.00 0.00 55.97 56.61 1nfd s LYS 222 Cb -0.19 -3.45 0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1nfd s LYS 222 CO 0.22 0.09 0.48 0.42 -0.36 0.00 0.00 175.35 176.20 1nfd s ILE 225 N 0.78 5.05 0.06 5.43 1.01 -1.14 -4.96 121.20 127.44 1nfd s ILE 225 Ca 0.32 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.59 1nfd s ILE 225 Cb -0.17 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1nfd s ILE 225 CO 0.14 -0.53 -0.18 -1.83 0.00 0.00 0.00 174.94 172.55 1nfd s GLU 226 N 2.21 1.09 0.60 2.79 4.04 -1.26 -4.66 118.70 123.51 1nfd s GLU 226 Ca 0.12 -0.93 0.01 0.00 0.04 0.00 0.00 54.97 54.21 1nfd s GLU 226 Cb -0.18 -1.19 0.06 0.00 0.02 0.00 0.00 34.13 32.85 1nfd s GLU 226 CO 0.13 0.29 0.84 -1.25 -1.84 0.00 0.00 175.26 173.43 1nfd s PRO 227 N -1.41 2.27 0.00 -4.83 0.04 -1.26 -4.98 135.00 124.83 1nfd s PRO 227 Ca 0.04 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.17 1nfd s PRO 227 Cb -0.09 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1nfd s PRO 227 CO 0.02 -0.94 0.39 -2.13 0.04 0.00 0.00 177.00 174.37