#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wns h LEU 8 N 0.00 0.71 0.16 0.00 3.38 -1.99 -3.07 115.31 114.51 2wns h LEU 8 Ca 0.00 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2wns h LEU 8 Cb 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2wns h LEU 8 CO 0.00 0.99 -0.51 1.23 0.09 0.00 0.00 178.44 180.24 2wns h GLY 9 N 0.98 -1.18 0.52 0.83 0.00 -2.00 0.11 103.07 102.33 2wns h GLY 9 Ca 0.06 0.64 0.09 0.00 0.00 0.00 0.00 47.33 48.12 2wns h GLY 9 CO 0.07 -0.29 0.41 -2.55 0.00 0.00 0.00 176.54 174.19 2wns h PRO 10 N -0.76 0.68 -0.15 4.80 0.11 -2.00 -1.91 132.00 132.78 2wns h PRO 10 Ca -0.01 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.08 2wns h PRO 10 Cb 0.75 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 2wns h PRO 10 CO -0.25 0.45 -0.03 1.25 -0.21 0.00 0.00 178.00 179.21 2wns h LEU 11 N 0.70 -0.12 -0.39 2.35 5.85 -1.32 -0.08 115.31 122.31 2wns h LEU 11 Ca 0.37 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 2wns h LEU 11 Cb 0.35 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2wns h LEU 11 CO -0.25 -0.04 0.17 0.58 -0.34 0.00 0.00 178.44 178.57 2wns h VAL 12 N 0.01 1.18 -0.60 1.05 2.07 -0.52 -0.80 116.25 118.65 2wns h VAL 12 Ca 0.07 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2wns h VAL 12 Cb 0.10 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 2wns h VAL 12 CO -0.14 0.20 0.32 0.74 0.02 0.00 0.00 177.57 178.71 2wns h THR 13 N 0.49 0.96 -0.71 2.57 2.02 -1.22 0.13 112.91 117.14 2wns h THR 13 Ca 0.13 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.16 2wns h THR 13 Cb 0.16 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 2wns h THR 13 CO -0.01 0.11 0.43 1.23 0.37 0.00 0.00 175.52 177.64 2wns h GLY 14 N 0.60 1.05 0.99 2.16 0.00 -0.68 -0.41 103.07 106.77 2wns h GLY 14 Ca 0.27 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 2wns h GLY 14 CO -0.18 0.22 -0.03 1.41 0.00 0.00 0.00 176.54 177.96 2wns h LEU 15 N 0.80 0.79 -0.81 3.11 3.38 -0.34 -2.61 115.31 119.63 2wns h LEU 15 Ca 0.31 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wns h LEU 15 Cb 0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2wns h LEU 15 CO -0.15 0.93 0.53 0.22 0.09 0.00 0.00 178.44 180.06 2wns h TYR 16 N 0.64 1.01 0.00 1.13 3.20 -0.33 -1.37 116.97 121.25 2wns h TYR 16 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2wns h TYR 16 Cb 0.54 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2wns h TYR 16 CO 0.04 0.62 0.00 -0.25 -1.64 0.00 0.00 178.16 176.94 2wns n ASP 17 N -4.53 0.00 -1.22 -2.11 8.00 -0.20 -1.16 116.55 115.32 2wns n ASP 17 Ca 0.08 -0.53 0.04 0.00 0.71 0.00 0.00 54.79 55.09 2wns n ASP 17 Cb 0.03 -0.10 0.27 0.00 -0.02 0.00 0.00 41.12 41.30 2wns n ASP 17 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2wns n VAL 18 N -1.10 2.50 -3.57 2.53 0.24 -0.58 -4.97 118.33 113.38 2wns n VAL 18 Ca 0.16 -1.95 -0.24 0.00 -2.04 0.00 0.00 64.34 60.27 2wns n VAL 18 Cb 0.12 -0.29 0.08 0.00 -1.47 0.00 0.00 33.84 32.28 2wns n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wns n GLN 19 N -0.47 -7.85 0.19 7.34 3.00 -0.31 -4.69 117.38 114.59 2wns n GLN 19 Ca 0.28 0.83 0.05 0.00 -0.01 0.00 0.00 57.00 58.15 2wns n GLN 19 Cb 1.04 -5.87 0.39 0.00 0.00 0.00 0.00 30.24 25.79 2wns n GLN 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wns h ALA 20 N 1.02 1.17 -2.78 -1.58 0.00 -1.54 -3.42 119.26 112.12 2wns h ALA 20 Ca -0.57 -0.33 -0.67 0.00 0.00 0.00 0.00 54.91 53.34 2wns h ALA 20 Cb 1.37 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.90 2wns h ALA 20 CO 0.56 0.45 -0.51 -0.06 0.00 0.00 0.00 179.25 179.69 2wns s PHE 21 N -3.90 3.21 -0.13 0.00 0.08 -1.26 -0.47 117.98 115.51 2wns s PHE 21 Ca -0.01 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 2wns s PHE 21 Cb 0.13 -2.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2wns s PHE 21 CO 0.69 -0.38 -0.01 0.15 -0.10 0.00 0.00 175.22 175.56 2wns s LYS 22 N 1.69 3.44 -0.02 0.44 -0.14 -0.24 -5.00 119.74 119.91 2wns s LYS 22 Ca 0.06 -0.46 0.07 0.00 -1.36 0.00 0.00 55.97 54.27 2wns s LYS 22 Cb -0.17 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.06 2wns s LYS 22 CO 0.09 0.42 -0.23 -0.06 -0.76 0.00 0.00 175.35 174.81 2wns s PHE 23 N -0.11 2.43 -5.00 3.18 0.08 -1.26 -1.05 117.98 116.25 2wns s PHE 23 Ca 0.03 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.72 2wns s PHE 23 Cb -0.13 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 2wns s PHE 23 CO 0.02 0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 2wns n GLY 24 N 2.35 -0.35 3.22 4.36 0.00 -0.93 -5.02 105.19 108.82 2wns n GLY 24 Ca -0.16 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 2wns n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wns s ASP 25 N -4.00 4.68 0.28 1.61 2.15 -1.26 -4.11 116.67 116.01 2wns s ASP 25 Ca 0.00 -0.97 0.11 0.00 0.43 0.00 0.00 52.55 52.12 2wns s ASP 25 Cb 0.00 -1.73 -0.05 0.00 -0.30 0.00 0.00 42.92 40.84 2wns s ASP 25 CO 0.00 -0.19 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.30 2wns s PHE 26 N 1.34 2.37 -0.12 -5.34 0.08 -0.28 -4.99 117.98 111.03 2wns s PHE 26 Ca -0.01 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.73 2wns s PHE 26 Cb -0.18 -1.06 -0.00 0.00 -0.57 0.00 0.00 43.02 41.21 2wns s PHE 26 CO -0.02 0.69 -0.19 0.08 -0.10 0.00 0.00 175.22 175.68 2wns s VAL 27 N -2.49 2.46 0.74 -0.44 1.01 -1.26 -1.44 120.40 118.97 2wns s VAL 27 Ca 0.31 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2wns s VAL 27 Cb -0.05 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.40 2wns s VAL 27 CO 0.16 0.54 1.09 -0.76 0.00 0.00 0.00 175.10 176.13 2wns s LEU 28 N 0.48 2.73 0.29 3.92 1.43 0.94 -4.90 118.68 123.58 2wns s LEU 28 Ca -0.13 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 2wns s LEU 28 Cb -0.17 -3.35 0.72 0.00 0.03 0.00 0.00 46.19 43.42 2wns s LEU 28 CO 0.05 -1.64 1.74 0.50 0.23 0.00 0.00 176.35 177.23 2wns h LYS 29 N -0.76 0.56 0.00 1.70 3.64 -2.01 -0.06 116.57 119.64 2wns h LYS 29 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2wns h LYS 29 Cb 1.31 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2wns h LYS 29 CO 0.63 0.37 0.00 -1.13 -2.27 0.00 0.00 179.45 177.05 2wns n SER 30 N -4.91 0.00 0.00 4.20 3.41 -1.26 -4.87 113.62 110.19 2wns n SER 30 Ca 0.22 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 2wns n SER 30 Cb 0.60 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2wns n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wns n GLY 31 N 0.72 1.05 3.74 5.00 0.00 -0.03 -5.04 105.19 110.62 2wns n GLY 31 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2wns n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wns s LEU 32 N 0.00 4.49 0.49 0.99 1.43 -1.26 -4.69 118.68 120.12 2wns s LEU 32 Ca 0.00 2.16 -0.22 0.00 -1.03 0.00 0.00 54.13 55.04 2wns s LEU 32 Cb 0.00 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 2wns s LEU 32 CO 0.00 -0.26 1.23 -0.44 0.23 0.00 0.00 176.35 177.11 2wns s SER 33 N -0.15 5.85 -0.12 2.29 0.01 -1.26 -0.04 113.70 120.28 2wns s SER 33 Ca 0.50 2.46 -0.11 0.00 1.31 0.00 0.00 55.95 60.11 2wns s SER 33 Cb -0.31 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.34 2wns s SER 33 CO 0.36 -1.15 0.33 -0.55 0.41 0.00 0.00 173.24 172.65 2wns s SER 34 N -1.22 -0.34 0.00 2.44 0.15 -0.52 -4.88 113.70 109.32 2wns s SER 34 Ca 0.66 0.66 0.29 0.00 0.70 0.00 0.00 55.95 58.27 2wns s SER 34 Cb -0.33 0.67 1.35 0.00 -1.71 0.00 0.00 66.02 66.01 2wns s SER 34 CO 0.39 -0.12 1.95 -0.81 1.20 0.00 0.00 173.24 175.86 2wns n PRO 35 N 2.93 0.46 -4.15 5.44 -0.04 -1.26 -1.13 135.00 137.25 2wns n PRO 35 Ca -0.13 -0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.10 2wns n PRO 35 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 2wns n PRO 35 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wns s ILE 36 N -2.60 0.61 -0.03 0.52 2.07 -1.26 -2.19 121.20 118.32 2wns s ILE 36 Ca 0.27 -0.78 -0.01 0.00 -1.41 0.00 0.00 60.65 58.72 2wns s ILE 36 Cb 0.20 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.22 2wns s ILE 36 CO 0.48 -0.14 0.05 -0.47 -1.91 0.00 0.00 174.94 172.95 2wns s TYR 37 N -0.86 -0.01 -0.26 3.50 5.04 -0.22 -4.95 117.35 119.58 2wns s TYR 37 Ca -0.04 0.20 -0.07 0.00 -2.44 0.00 0.00 57.07 54.72 2wns s TYR 37 Cb -0.07 -0.20 -0.02 0.00 0.35 0.00 0.00 41.96 42.02 2wns s TYR 37 CO 0.00 -0.10 0.07 0.42 -1.34 0.00 0.00 175.55 174.60 2wns s ILE 38 N 1.06 4.17 -0.24 3.14 1.09 -1.26 -1.08 121.20 128.08 2wns s ILE 38 Ca -0.09 -0.33 0.02 0.00 -1.10 0.00 0.00 60.65 59.16 2wns s ILE 38 Cb -0.12 -3.00 0.05 0.00 -1.06 0.00 0.00 42.46 38.33 2wns s ILE 38 CO -0.03 0.27 -0.11 -0.62 -0.10 0.00 0.00 174.94 174.34 2wns s ASP 39 N 1.58 4.17 0.00 3.58 2.15 0.38 -4.98 116.67 123.55 2wns s ASP 39 Ca 0.05 -1.26 0.17 0.00 0.43 0.00 0.00 52.55 51.95 2wns s ASP 39 Cb -0.16 -1.48 0.49 0.00 -0.30 0.00 0.00 42.92 41.48 2wns s ASP 39 CO 0.03 -0.17 1.40 0.18 -0.17 0.00 0.00 175.17 176.44 2wns n LEU 40 N 4.50 2.45 0.27 -1.34 4.77 -1.26 -4.31 117.00 122.07 2wns n LEU 40 Ca -0.15 -1.17 0.11 0.00 -0.03 0.00 0.00 56.01 54.77 2wns n LEU 40 Cb 0.43 -0.26 0.74 0.00 -2.33 0.00 0.00 43.42 42.00 2wns n LEU 40 CO 0.21 0.58 1.08 0.03 -1.33 0.00 0.00 177.39 177.96 2wns h ARG 41 N 2.84 0.00 0.00 3.23 3.08 -1.94 -2.29 114.38 119.30 2wns h ARG 41 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wns h ARG 41 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2wns h ARG 41 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 2wns n GLY 42 N -1.40 -1.22 0.24 0.04 0.00 -1.26 -3.47 105.19 98.13 2wns n GLY 42 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2wns n GLY 42 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2wns h ILE 43 N 0.00 0.86 0.00 -0.61 3.07 -1.73 -2.20 117.51 116.90 2wns h ILE 43 Ca 0.00 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.86 2wns h ILE 43 Cb 0.36 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 2wns h ILE 43 CO 0.00 0.14 0.00 1.33 -1.05 0.00 0.00 178.15 178.57 2wns n VAL 44 N -4.01 0.96 0.52 0.16 0.24 -1.23 -1.45 118.33 113.53 2wns n VAL 44 Ca -0.02 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.73 2wns n VAL 44 Cb 0.23 -1.24 0.27 0.00 -1.47 0.00 0.00 33.84 31.63 2wns n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2wns h SER 45 N 0.00 0.00 -3.82 -1.34 4.64 -1.66 -3.41 113.55 107.96 2wns h SER 45 Ca 0.00 -0.08 -0.62 0.00 -0.47 0.00 0.00 61.79 60.62 2wns h SER 45 Cb 0.27 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.95 2wns h SER 45 CO 0.00 0.04 -0.69 -0.60 -0.87 0.00 0.00 176.83 174.71 2wns s ARG 46 N -3.15 1.62 0.27 4.77 3.52 -0.53 -5.02 118.95 120.43 2wns s ARG 46 Ca 0.08 -2.33 -0.02 0.00 -0.13 0.00 0.00 55.73 53.33 2wns s ARG 46 Cb 0.12 -2.78 0.60 0.00 -1.56 0.00 0.00 34.95 31.33 2wns s ARG 46 CO 0.66 -1.15 1.63 -1.35 -0.81 0.00 0.00 175.30 174.29 2wns h PRO 47 N 6.55 0.14 0.00 5.12 0.11 -1.81 0.36 132.00 142.47 2wns h PRO 47 Ca -0.03 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 2wns h PRO 47 Cb 0.90 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2wns h PRO 47 CO 0.58 0.10 -0.51 0.00 -0.21 0.00 0.00 178.00 177.95 2wns h ARG 48 N 0.15 0.00 -0.32 1.05 3.08 -1.95 -1.63 114.38 114.76 2wns h ARG 48 Ca 0.50 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.39 2wns h ARG 48 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 2wns h ARG 48 CO -0.69 0.51 -0.43 1.25 -1.07 0.00 0.00 179.97 179.55 2wns h LEU 49 N 0.00 0.93 -0.52 3.04 5.85 -1.28 -1.38 115.31 121.94 2wns h LEU 49 Ca -0.01 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2wns h LEU 49 Cb 1.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2wns h LEU 49 CO 0.07 1.25 0.28 0.25 -0.34 0.00 0.00 178.44 179.94 2wns h LEU 50 N 0.63 0.67 -0.68 2.25 5.85 -1.00 -0.17 115.31 122.85 2wns h LEU 50 Ca 0.04 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2wns h LEU 50 Cb 1.03 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2wns h LEU 50 CO 0.10 0.58 0.41 0.28 -0.34 0.00 0.00 178.44 179.48 2wns h SER 51 N 0.70 0.82 -0.44 1.25 0.02 -1.33 -1.02 113.55 113.55 2wns h SER 51 Ca 0.18 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2wns h SER 51 Cb 0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2wns h SER 51 CO -0.03 0.64 0.20 1.56 -1.14 0.00 0.00 176.83 178.06 2wns h GLN 52 N 0.93 0.64 -0.62 3.45 4.20 -0.79 -0.34 115.11 122.57 2wns h GLN 52 Ca 0.25 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2wns h GLN 52 Cb -0.03 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2wns h GLN 52 CO -0.05 0.56 0.35 0.28 -0.67 0.00 0.00 178.83 179.30 2wns h VAL 53 N 0.57 1.20 -0.47 -0.54 2.07 -0.90 -1.11 116.25 117.06 2wns h VAL 53 Ca 0.15 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2wns h VAL 53 Cb 0.14 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2wns h VAL 53 CO -0.02 0.21 0.28 0.00 0.02 0.00 0.00 177.57 178.07 2wns h ALA 54 N 1.17 0.60 0.11 1.67 0.00 -0.89 -2.10 119.26 119.82 2wns h ALA 54 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wns h ALA 54 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wns h ALA 54 CO -0.04 -0.02 -0.05 0.22 0.00 0.00 0.00 179.25 179.36 2wns h ASP 55 N 0.57 -0.12 -0.16 0.00 3.58 -0.66 -2.07 116.42 117.56 2wns h ASP 55 Ca 0.19 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2wns h ASP 55 Cb 0.00 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2wns h ASP 55 CO -0.08 0.01 -0.16 -0.29 -2.88 0.00 0.00 179.24 175.84 2wns h ILE 56 N -0.25 1.25 0.06 2.25 2.10 -1.09 0.12 117.51 121.95 2wns h ILE 56 Ca -0.01 -1.13 0.01 0.00 1.08 0.00 0.00 64.86 64.81 2wns h ILE 56 Cb 0.20 1.18 -0.02 0.00 -1.09 0.00 0.00 36.82 37.10 2wns h ILE 56 CO 0.02 0.37 -0.12 -0.07 -1.08 0.00 0.00 178.15 177.28 2wns h LEU 57 N 0.50 -0.32 -0.54 2.19 3.38 -1.28 0.16 115.31 119.40 2wns h LEU 57 Ca 0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wns h LEU 57 Cb 0.57 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2wns h LEU 57 CO 0.04 -0.17 0.32 0.15 0.09 0.00 0.00 178.44 178.87 2wns h PHE 58 N -0.23 0.71 -0.42 1.13 3.57 -0.95 -2.49 116.94 118.26 2wns h PHE 58 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2wns h PHE 58 Cb 0.25 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2wns h PHE 58 CO -0.15 0.49 0.19 1.96 -2.23 0.00 0.00 178.31 178.57 2wns h GLN 59 N 0.72 0.59 -0.48 1.11 1.08 -0.60 -0.75 115.11 116.79 2wns h GLN 59 Ca 0.19 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 2wns h GLN 59 Cb -0.01 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 2wns h GLN 59 CO -0.04 0.48 0.23 1.15 -0.95 0.00 0.00 178.83 179.69 2wns h THR 60 N 0.59 1.19 -0.45 -0.54 2.02 -0.55 0.15 112.91 115.32 2wns h THR 60 Ca 0.15 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 2wns h THR 60 Cb 0.09 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2wns h THR 60 CO -0.02 0.21 0.16 0.00 0.37 0.00 0.00 175.52 176.24 2wns h ALA 61 N 1.07 0.58 -0.24 6.16 0.00 -0.96 -2.48 119.26 123.39 2wns h ALA 61 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wns h ALA 61 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wns h ALA 61 CO -0.02 0.21 0.07 1.96 0.00 0.00 0.00 179.25 181.47 2wns h GLN 62 N 0.58 0.38 -0.53 0.00 4.20 -0.92 -2.74 115.11 116.07 2wns h GLN 62 Ca 0.15 -0.09 0.14 0.00 0.06 0.00 0.00 58.65 58.91 2wns h GLN 62 Cb 0.23 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2wns h GLN 62 CO -0.01 0.47 0.38 -0.91 -0.67 0.00 0.00 178.83 178.09 2wns h ASN 63 N 0.22 0.10 1.38 1.46 2.35 -0.65 -0.26 115.58 120.18 2wns h ASN 63 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2wns h ASN 63 Cb 0.25 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2wns h ASN 63 CO -0.00 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 2wns h ALA 64 N 1.74 1.00 -0.59 -0.83 0.00 -1.14 -3.47 119.26 115.96 2wns h ALA 64 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2wns h ALA 64 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2wns h ALA 64 CO -0.03 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.51 2wns n GLY 65 N 0.75 0.36 3.94 0.00 0.00 -0.11 -5.02 105.19 105.11 2wns n GLY 65 Ca 0.04 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 2wns n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wns s ILE 66 N -2.24 3.30 -0.02 -0.61 -4.36 -1.23 -5.09 121.20 110.94 2wns s ILE 66 Ca 0.00 -0.26 0.08 0.00 -0.26 0.00 0.00 60.65 60.21 2wns s ILE 66 Cb 0.00 -3.30 -0.02 0.00 1.25 0.00 0.00 42.46 40.39 2wns s ILE 66 CO 0.00 -0.28 -0.25 -0.44 0.24 0.00 0.00 174.94 174.21 2wns s SER 67 N -4.35 3.12 -0.07 4.36 0.01 -1.26 -4.94 113.70 110.57 2wns s SER 67 Ca 0.54 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 57.07 2wns s SER 67 Cb -0.10 -0.38 0.06 0.00 0.21 0.00 0.00 66.02 65.81 2wns s SER 67 CO 0.43 0.32 0.64 0.72 0.41 0.00 0.00 173.24 175.76 2wns s PHE 68 N -0.62 -0.62 -0.07 2.43 -0.12 -1.26 -4.92 117.98 112.79 2wns s PHE 68 Ca 0.10 1.11 0.21 0.00 -0.05 0.00 0.00 56.93 58.31 2wns s PHE 68 Cb -0.10 0.36 -0.30 0.00 -0.63 0.00 0.00 43.02 42.35 2wns s PHE 68 CO -0.01 -0.56 0.45 -0.25 -0.05 0.00 0.00 175.22 174.80 2wns n ASP 69 N 1.14 0.08 -3.87 1.98 8.00 0.01 -4.98 116.55 118.92 2wns n ASP 69 Ca -0.19 0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.26 2wns n ASP 69 Cb 0.57 1.68 -0.04 0.00 -0.02 0.00 0.00 41.12 43.31 2wns n ASP 69 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wns s THR 70 N -3.31 0.01 -0.01 -3.53 -1.32 -0.98 -4.39 115.64 102.11 2wns s THR 70 Ca -0.08 -1.06 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 2wns s THR 70 Cb 0.12 -1.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.18 2wns s THR 70 CO 0.89 -0.04 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.53 2wns s VAL 71 N -3.94 0.31 -0.06 5.08 1.01 -1.12 -0.55 120.40 121.13 2wns s VAL 71 Ca 0.14 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2wns s VAL 71 Cb -0.03 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2wns s VAL 71 CO 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 175.10 175.15 2wns s GLY 73 N 0.75 2.90 -0.08 0.00 0.00 -1.26 -1.33 107.32 108.30 2wns s GLY 73 Ca -0.13 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.77 2wns s GLY 73 CO 0.02 0.97 1.15 0.14 0.00 0.00 0.00 173.10 175.38 2wns s VAL 74 N -1.40 4.40 0.42 1.40 1.01 0.08 -4.66 120.40 121.65 2wns s VAL 74 Ca 0.44 1.71 -0.26 0.00 0.00 0.00 0.00 61.98 63.87 2wns s VAL 74 Cb -0.21 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 2wns s VAL 74 CO 0.26 -0.01 1.41 -2.84 0.00 0.00 0.00 175.10 173.92 2wns s PRO 75 N 2.25 3.89 -0.12 2.72 0.02 -1.26 -3.55 135.00 138.96 2wns s PRO 75 Ca 0.54 2.39 0.05 0.00 0.02 0.00 0.00 61.00 64.00 2wns s PRO 75 Cb -0.23 -2.78 -0.11 0.00 0.02 0.00 0.00 34.50 31.41 2wns s PRO 75 CO 0.20 -0.64 -0.05 0.66 -0.33 0.00 0.00 177.00 176.84 2wns n TYR 76 N 0.10 0.00 -0.22 6.54 4.01 -1.26 -4.87 117.16 121.46 2wns n TYR 76 Ca 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 2wns n TYR 76 Cb 0.41 -0.52 0.21 0.00 -0.31 0.00 0.00 39.34 39.14 2wns n TYR 76 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2wns h THR 77 N 0.00 1.21 0.00 -0.72 2.02 -2.00 -1.68 112.91 111.74 2wns h THR 77 Ca -0.29 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2wns h THR 77 Cb 1.55 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2wns h THR 77 CO -0.02 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.09 2wns n ALA 78 N -2.43 1.73 -0.02 6.16 0.00 -1.23 -4.04 120.51 120.68 2wns n ALA 78 Ca 0.08 0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2wns n ALA 78 Cb 0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 2wns n ALA 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wns h LEU 79 N 0.00 -0.09 -1.46 0.00 3.38 -1.48 -1.39 115.31 114.27 2wns h LEU 79 Ca 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2wns h LEU 79 Cb 0.36 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2wns h LEU 79 CO 0.00 -0.03 -0.13 -0.65 0.09 0.00 0.00 178.44 177.72 2wns h PRO 80 N 0.03 0.19 -0.45 1.13 0.11 -1.78 -2.16 132.00 129.06 2wns h PRO 80 Ca 0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2wns h PRO 80 Cb 0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 2wns h PRO 80 CO -0.13 0.33 0.21 -0.07 -0.21 0.00 0.00 178.00 178.13 2wns h LEU 81 N 0.18 0.60 -0.66 2.35 3.38 -1.57 -0.85 115.31 118.74 2wns h LEU 81 Ca 0.04 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wns h LEU 81 Cb 0.35 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2wns h LEU 81 CO 0.02 0.57 0.42 0.00 0.09 0.00 0.00 178.44 179.54 2wns h ALA 82 N 1.06 0.85 -0.53 1.53 0.00 -1.09 -1.72 119.26 119.36 2wns h ALA 82 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2wns h ALA 82 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wns h ALA 82 CO -0.02 0.21 0.31 1.15 0.00 0.00 0.00 179.25 180.90 2wns h THR 83 N 0.84 1.17 -0.15 0.00 2.02 -0.89 -0.12 112.91 115.79 2wns h THR 83 Ca 0.26 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2wns h THR 83 Cb -0.03 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2wns h THR 83 CO -0.08 0.18 0.01 0.58 0.37 0.00 0.00 175.52 176.57 2wns h VAL 84 N 0.71 1.24 -0.66 3.16 2.07 -1.00 0.36 116.25 122.14 2wns h VAL 84 Ca 0.19 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 67.03 2wns h VAL 84 Cb 0.01 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2wns h VAL 84 CO -0.03 0.23 0.25 0.40 0.02 0.00 0.00 177.57 178.44 2wns h ILE 85 N 0.00 0.73 -0.05 4.57 2.04 -1.17 0.13 117.51 123.76 2wns h ILE 85 Ca 0.04 -0.14 -0.21 0.00 1.00 0.00 0.00 64.86 65.55 2wns h ILE 85 Cb 0.35 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2wns h ILE 85 CO 0.01 0.08 -0.83 0.00 0.00 0.00 0.00 178.15 177.40 2wns h SER 87 N 0.28 0.31 -0.31 0.00 0.87 -0.55 0.06 113.55 114.21 2wns h SER 87 Ca -0.05 -0.58 -0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2wns h SER 87 Cb 1.44 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2wns h SER 87 CO 0.15 0.83 0.17 0.74 -0.53 0.00 0.00 176.83 178.19 2wns h THR 88 N -0.21 1.12 -0.36 2.23 2.02 -0.79 -3.23 112.91 113.70 2wns h THR 88 Ca -0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2wns h THR 88 Cb 0.79 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2wns h THR 88 CO 0.04 0.12 0.00 0.59 0.37 0.00 0.00 175.52 176.65 2wns n ASN 89 N -4.82 2.99 -3.18 4.18 4.13 -0.68 -4.98 115.26 112.90 2wns n ASN 89 Ca -0.01 -1.93 -0.15 0.00 1.68 0.00 0.00 54.58 54.16 2wns n ASN 89 Cb 0.07 -0.23 0.08 0.00 -1.54 0.00 0.00 39.78 38.16 2wns n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wns n GLN 90 N 1.18 -5.76 -4.77 3.52 1.13 -0.14 -5.01 117.38 107.53 2wns n GLN 90 Ca 0.19 0.77 -0.33 0.00 -1.94 0.00 0.00 57.00 55.68 2wns n GLN 90 Cb 0.53 -5.52 -0.13 0.00 0.11 0.00 0.00 30.24 25.22 2wns n GLN 90 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wns s ILE 91 N -3.33 3.20 0.52 5.09 1.01 -0.34 -5.04 121.20 122.31 2wns s ILE 91 Ca 0.02 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 2wns s ILE 91 Cb -0.00 -2.31 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 2wns s ILE 91 CO 0.66 0.56 1.35 -2.84 0.00 0.00 0.00 174.94 174.67 2wns s PRO 92 N -0.18 3.30 0.06 2.79 0.02 -1.26 -4.67 135.00 135.05 2wns s PRO 92 Ca 0.01 2.23 0.09 0.00 0.02 0.00 0.00 61.00 63.34 2wns s PRO 92 Cb -0.13 -2.35 -0.03 0.00 0.02 0.00 0.00 34.50 32.01 2wns s PRO 92 CO 0.03 -1.06 -0.24 1.41 -0.33 0.00 0.00 177.00 176.81 2wns s MET 93 N -2.80 1.80 0.10 5.54 1.75 -1.26 -2.78 119.30 121.65 2wns s MET 93 Ca 0.69 -1.12 0.06 0.00 -1.25 0.00 0.00 55.69 54.07 2wns s MET 93 Cb -0.40 -2.02 -0.04 0.00 2.84 0.00 0.00 34.83 35.21 2wns s MET 93 CO 0.48 0.51 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.80 2wns s LEU 94 N -1.47 3.24 -0.16 4.11 1.43 -0.16 -4.58 118.68 121.09 2wns s LEU 94 Ca 0.13 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2wns s LEU 94 Cb -0.10 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.14 2wns s LEU 94 CO 0.04 0.18 -0.13 -0.63 0.23 0.00 0.00 176.35 176.03 2wns s ILE 95 N -1.26 1.57 -0.28 -0.59 1.01 -0.63 -4.28 121.20 116.74 2wns s ILE 95 Ca 0.23 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 2wns s ILE 95 Cb -0.11 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2wns s ILE 95 CO 0.16 0.39 1.01 -0.60 0.00 0.00 0.00 174.94 175.89 2wns s ARG 96 N 1.47 4.12 -0.39 2.79 3.52 -1.26 -0.49 118.95 128.72 2wns s ARG 96 Ca 0.04 1.09 -0.22 0.00 -0.13 0.00 0.00 55.73 56.51 2wns s ARG 96 Cb -0.14 -3.70 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 2wns s ARG 96 CO -0.10 -0.76 0.71 1.03 -0.81 0.00 0.00 175.30 175.37 2wns s ARG 97 N 3.36 3.60 0.00 5.12 1.81 0.28 -4.80 118.95 128.32 2wns s ARG 97 Ca 0.43 0.04 0.16 0.00 -1.72 0.00 0.00 55.73 54.64 2wns s ARG 97 Cb -0.14 -3.85 0.13 0.00 -0.45 0.00 0.00 34.95 30.65 2wns s ARG 97 CO 0.11 -0.87 1.02 1.17 -0.68 0.00 0.00 175.30 176.05 2wns n LYS 98 N 6.30 1.26 0.23 3.54 4.81 -1.26 -4.73 118.16 128.31 2wns n LYS 98 Ca 0.01 -1.47 0.15 0.00 -0.87 0.00 0.00 58.31 56.12 2wns n LYS 98 Cb 0.48 -1.31 0.49 0.00 0.02 0.00 0.00 35.03 34.71 2wns n LYS 98 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2wns h GLU 99 N 3.13 0.00 -0.21 1.64 3.07 -2.00 -1.70 114.58 118.52 2wns h GLU 99 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wns h GLU 99 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2wns h GLU 99 CO 0.00 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.86 2wns n THR 100 N -2.91 2.02 0.00 1.13 -2.24 -1.26 -5.07 114.28 105.95 2wns n THR 100 Ca 0.02 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 59.97 2wns n THR 100 Cb 0.37 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2wns n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wns n LYS 101 N -0.59 0.00 -0.76 -0.78 5.02 -0.64 -1.44 118.16 118.95 2wns n LYS 101 Ca 0.18 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 2wns n LYS 101 Cb 0.77 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 36.00 2wns n LYS 101 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2wns n ASP 102 N 1.64 3.23 -4.65 4.39 5.75 -1.26 -4.96 116.55 120.69 2wns n ASP 102 Ca 0.00 -3.49 -0.42 0.00 -0.01 0.00 0.00 54.79 50.87 2wns n ASP 102 Cb 0.00 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 39.41 2wns n ASP 102 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2wns s TYR 103 N -3.11 3.33 0.00 2.11 2.02 -0.52 -4.86 117.35 116.32 2wns s TYR 103 Ca 0.46 1.15 0.00 0.00 -0.37 0.00 0.00 57.07 58.32 2wns s TYR 103 Cb 0.40 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 2wns s TYR 103 CO 0.05 -0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 2wns n GLY 104 N 3.70 -0.76 0.00 0.71 0.00 -1.26 -4.66 105.19 102.92 2wns n GLY 104 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2wns n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wns n THR 105 N 0.00 0.45 -1.96 2.61 -2.24 -1.26 -5.06 114.28 106.83 2wns n THR 105 Ca 0.00 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 60.92 2wns n THR 105 Cb 0.00 0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2wns n THR 105 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wns s LYS 106 N -0.45 4.03 0.20 -0.78 2.20 -1.26 -4.94 119.74 118.74 2wns s LYS 106 Ca 0.00 2.32 -0.30 0.00 -0.36 0.00 0.00 55.97 57.64 2wns s LYS 106 Cb 0.00 -2.86 -0.08 0.00 -1.51 0.00 0.00 37.83 33.38 2wns s LYS 106 CO 0.00 -0.50 1.08 1.03 -0.36 0.00 0.00 175.35 176.60 2wns s ARG 107 N -2.15 4.63 0.43 4.03 1.81 -1.26 -4.96 118.95 121.49 2wns s ARG 107 Ca 0.55 1.71 0.25 0.00 -1.72 0.00 0.00 55.73 56.52 2wns s ARG 107 Cb -0.42 -3.26 0.61 0.00 -0.45 0.00 0.00 34.95 31.43 2wns s ARG 107 CO 0.55 0.15 1.70 -0.07 -0.68 0.00 0.00 175.30 176.95 2wns h LEU 108 N 4.74 0.00 -8.35 2.53 3.38 -1.92 -3.45 115.31 112.23 2wns h LEU 108 Ca -0.45 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.86 2wns h LEU 108 Cb 1.21 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.67 2wns h LEU 108 CO 0.71 0.00 -0.77 -0.69 0.09 0.00 0.00 178.44 177.78 2wns s VAL 109 N -3.29 2.94 0.09 1.22 1.01 -1.26 -0.56 120.40 120.55 2wns s VAL 109 Ca 0.06 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2wns s VAL 109 Cb 0.07 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2wns s VAL 109 CO 0.63 0.48 0.22 -1.61 0.00 0.00 0.00 175.10 174.82 2wns s GLU 110 N 1.19 3.40 0.00 2.72 2.02 0.35 -4.94 118.70 123.43 2wns s GLU 110 Ca 0.02 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2wns s GLU 110 Cb -0.14 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.09 2wns s GLU 110 CO -0.04 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2wns n GLY 111 N 0.05 -0.81 3.59 -1.39 0.00 -1.26 -1.60 105.19 103.76 2wns n GLY 111 Ca -0.06 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 2wns n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wns s THR 112 N -0.48 4.74 -0.41 2.61 2.01 -1.26 -5.00 115.64 117.85 2wns s THR 112 Ca 0.00 0.94 -0.10 0.00 0.31 0.00 0.00 61.69 62.84 2wns s THR 112 Cb 0.00 -4.20 0.06 0.00 0.01 0.00 0.00 72.50 68.37 2wns s THR 112 CO 0.00 -0.40 0.25 -0.63 -0.69 0.00 0.00 174.62 173.15 2wns s ILE 113 N 3.08 4.41 -0.41 1.82 1.01 -1.26 -4.98 121.20 124.87 2wns s ILE 113 Ca 0.32 -1.21 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2wns s ILE 113 Cb -0.13 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.81 2wns s ILE 113 CO 0.16 -0.43 0.23 0.20 0.00 0.00 0.00 174.94 175.10 2wns s ASN 114 N 1.99 5.43 0.20 3.58 0.01 -1.26 -5.07 114.94 119.81 2wns s ASN 114 Ca 0.03 -1.75 -0.32 0.00 -0.71 0.00 0.00 52.86 50.10 2wns s ASN 114 Cb -0.22 -1.90 -0.15 0.00 0.41 0.00 0.00 41.25 39.39 2wns s ASN 114 CO 0.04 -0.54 1.18 -2.65 -1.51 0.00 0.00 177.10 173.62 2wns n PRO 115 N 4.76 1.33 0.00 -0.60 -0.02 -1.26 -1.82 135.00 137.39 2wns n PRO 115 Ca -0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2wns n PRO 115 Cb 0.42 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2wns n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wns n GLY 116 N 1.94 2.90 3.78 -1.23 0.00 -0.20 -4.97 105.19 107.41 2wns n GLY 116 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2wns n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wns s GLU 117 N -0.40 2.87 -0.19 1.61 2.02 -0.76 -4.57 118.70 119.28 2wns s GLU 117 Ca 0.00 1.30 -0.10 0.00 0.02 0.00 0.00 54.97 56.18 2wns s GLU 117 Cb 0.00 -1.97 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 2wns s GLU 117 CO 0.00 -1.18 0.16 0.99 0.02 0.00 0.00 175.26 175.24 2wns s THR 118 N -2.47 5.40 -0.17 3.63 2.01 -1.26 -0.21 115.64 122.56 2wns s THR 118 Ca 0.65 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.87 2wns s THR 118 Cb -0.19 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 2wns s THR 118 CO 0.43 0.44 -0.08 0.00 -0.69 0.00 0.00 174.62 174.71 2wns s LEU 120 N 0.87 4.42 -0.14 0.00 2.96 0.28 -4.48 118.68 122.60 2wns s LEU 120 Ca -0.02 1.41 -0.15 0.00 -0.22 0.00 0.00 54.13 55.15 2wns s LEU 120 Cb -0.15 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 2wns s LEU 120 CO 0.01 -0.02 0.33 -0.63 -1.32 0.00 0.00 176.35 174.72 2wns s ILE 121 N 0.16 5.27 -0.14 6.68 -1.09 -0.96 -0.59 121.20 130.52 2wns s ILE 121 Ca 0.39 0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 59.42 2wns s ILE 121 Cb -0.20 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2wns s ILE 121 CO 0.22 0.40 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.64 2wns s ILE 122 N 0.34 3.74 0.04 2.92 -1.09 -0.44 -0.48 121.20 126.22 2wns s ILE 122 Ca 0.19 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.19 2wns s ILE 122 Cb -0.14 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 2wns s ILE 122 CO 0.06 0.51 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.54 2wns s GLU 123 N 0.27 0.47 -0.15 2.79 2.56 -0.29 -0.74 118.70 123.62 2wns s GLU 123 Ca -0.04 -0.92 -0.11 0.00 0.00 0.00 0.00 54.97 53.89 2wns s GLU 123 Cb -0.14 0.14 -0.08 0.00 2.00 0.00 0.00 34.13 36.05 2wns s GLU 123 CO 0.03 -0.08 0.03 0.38 -0.56 0.00 0.00 175.26 175.07 2wns h ASP 124 N 3.88 0.00 -3.59 -1.70 2.03 -1.90 -2.43 116.42 112.71 2wns h ASP 124 Ca -0.33 -0.20 -0.26 0.00 -0.73 0.00 0.00 57.03 55.51 2wns h ASP 124 Cb 1.17 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.36 2wns h ASP 124 CO 0.54 0.87 -0.69 -0.69 -1.03 0.00 0.00 179.24 178.24 2wns s VAL 125 N -2.11 -0.03 -0.09 4.15 1.01 -1.26 -1.77 120.40 120.30 2wns s VAL 125 Ca -0.15 0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2wns s VAL 125 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 2wns s VAL 125 CO 0.29 0.05 -0.18 -0.69 0.00 0.00 0.00 175.10 174.57 2wns s VAL 126 N 0.68 2.62 0.00 2.92 1.01 -0.59 -5.00 120.40 122.04 2wns s VAL 126 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2wns s VAL 126 Cb -0.08 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2wns s VAL 126 CO -0.02 0.55 0.00 0.41 0.00 0.00 0.00 175.10 176.04 2wns n THR 127 N 3.19 0.00 0.12 3.92 -1.04 -1.26 -1.36 114.28 117.85 2wns n THR 127 Ca -0.18 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2wns n THR 127 Cb 0.52 -0.44 0.04 0.00 -1.82 0.00 0.00 70.33 68.64 2wns n THR 127 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2wns h SER 128 N 0.00 0.00 0.00 8.00 4.64 -1.93 -2.71 113.55 121.55 2wns h SER 128 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wns h SER 128 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wns h SER 128 CO 0.00 0.64 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 2wns n GLY 129 N 1.04 0.21 0.30 -0.77 0.00 -1.26 -3.49 105.19 101.22 2wns n GLY 129 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2wns n GLY 129 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wns h SER 130 N 0.00 0.90 -0.44 1.61 0.02 -1.95 -2.44 113.55 111.24 2wns h SER 130 Ca 0.00 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2wns h SER 130 Cb 0.00 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2wns h SER 130 CO 0.00 0.95 0.18 0.28 -1.14 0.00 0.00 176.83 177.10 2wns h SER 131 N 0.86 0.60 -0.32 3.07 0.02 -1.97 -0.49 113.55 115.33 2wns h SER 131 Ca 0.16 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2wns h SER 131 Cb 0.49 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2wns h SER 131 CO 0.02 0.60 0.20 0.58 -1.14 0.00 0.00 176.83 177.09 2wns h VAL 132 N 0.57 1.06 -0.27 2.27 2.07 -1.94 -2.74 116.25 117.28 2wns h VAL 132 Ca 0.15 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2wns h VAL 132 Cb 0.18 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2wns h VAL 132 CO -0.01 0.08 -0.08 0.25 0.02 0.00 0.00 177.57 177.83 2wns h LEU 133 N 0.41 0.41 -0.31 2.57 5.85 -1.14 0.13 115.31 123.24 2wns h LEU 133 Ca 0.12 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2wns h LEU 133 Cb -0.03 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2wns h LEU 133 CO -0.04 0.54 0.06 -0.08 -0.34 0.00 0.00 178.44 178.58 2wns h GLU 134 N 0.41 0.50 -0.42 1.25 4.81 -0.99 -1.03 114.58 119.12 2wns h GLU 134 Ca 0.08 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2wns h GLU 134 Cb 0.39 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2wns h GLU 134 CO 0.02 0.59 -0.09 1.15 -0.73 0.00 0.00 179.01 179.95 2wns h THR 135 N 0.33 1.25 -0.29 0.32 2.02 -1.09 -2.49 112.91 112.96 2wns h THR 135 Ca 0.09 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.18 2wns h THR 135 Cb 0.33 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2wns h THR 135 CO 0.00 0.38 0.16 0.58 0.37 0.00 0.00 175.52 177.02 2wns h VAL 136 N 0.66 1.03 -0.26 3.16 2.07 -0.59 -2.39 116.25 119.93 2wns h VAL 136 Ca 0.12 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2wns h VAL 136 Cb 0.55 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2wns h VAL 136 CO 0.03 0.06 0.10 -0.08 0.02 0.00 0.00 177.57 177.70 2wns h GLU 137 N 0.34 0.40 -0.42 1.57 4.81 -1.05 -1.14 114.58 119.10 2wns h GLU 137 Ca 0.11 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2wns h GLU 137 Cb 0.00 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 2wns h GLU 137 CO -0.06 0.45 -0.15 0.28 -0.73 0.00 0.00 179.01 178.81 2wns h VAL 138 N 0.27 0.50 -0.51 0.32 2.07 -1.40 -0.59 116.25 116.91 2wns h VAL 138 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2wns h VAL 138 Cb 0.20 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2wns h VAL 138 CO -0.01 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.52 2wns h LEU 139 N -0.06 0.83 -0.67 2.57 3.38 -1.15 -2.95 115.31 117.26 2wns h LEU 139 Ca 0.20 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2wns h LEU 139 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wns h LEU 139 CO -0.46 0.89 -0.22 1.56 0.09 0.00 0.00 178.44 180.30 2wns h GLN 140 N 0.80 0.80 0.00 1.13 4.20 -0.77 -2.48 115.11 118.78 2wns h GLN 140 Ca 0.15 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2wns h GLN 140 Cb 0.48 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2wns h GLN 140 CO 0.02 0.95 0.00 0.87 -0.67 0.00 0.00 178.83 180.00 2wns h LYS 141 N 0.70 0.00 -0.00 1.46 1.57 -0.95 -0.18 116.57 119.16 2wns h LYS 141 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2wns h LYS 141 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2wns h LYS 141 CO 0.06 0.00 -0.01 0.39 -0.57 0.00 0.00 179.45 179.32 2wns n GLU 142 N -3.07 1.12 -0.25 3.15 -0.58 -0.97 -4.93 120.64 115.10 2wns n GLU 142 Ca -0.01 -0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 2wns n GLU 142 Cb 0.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2wns n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wns n GLY 143 N 1.08 0.73 3.80 0.62 0.00 -0.08 -4.60 105.19 106.74 2wns n GLY 143 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2wns n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wns s LEU 144 N 0.00 4.28 0.01 0.99 1.43 -1.00 -1.03 118.68 123.36 2wns s LEU 144 Ca 0.00 1.64 -0.22 0.00 -1.03 0.00 0.00 54.13 54.52 2wns s LEU 144 Cb 0.00 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 2wns s LEU 144 CO 0.00 -0.07 0.64 -0.75 0.23 0.00 0.00 176.35 176.39 2wns s LYS 145 N -2.21 4.36 -0.05 1.70 2.20 0.70 -4.04 119.74 122.41 2wns s LYS 145 Ca 0.49 0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 56.91 2wns s LYS 145 Cb -0.16 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 2wns s LYS 145 CO 0.21 0.37 0.03 0.08 -0.36 0.00 0.00 175.35 175.68 2wns s VAL 146 N -0.22 0.09 0.00 4.02 1.01 -1.26 -0.68 120.40 123.35 2wns s VAL 146 Ca 0.33 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2wns s VAL 146 Cb -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2wns s VAL 146 CO 0.19 0.19 0.00 0.35 0.00 0.00 0.00 175.10 175.83 2wns n THR 147 N 5.00 0.00 -3.99 3.92 -2.24 -1.26 -4.81 114.28 110.90 2wns n THR 147 Ca -0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2wns n THR 147 Cb 0.50 0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.78 2wns n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wns s ASP 148 N -1.53 0.28 -0.05 3.42 1.01 -1.26 -0.44 116.67 118.10 2wns s ASP 148 Ca 0.00 -0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.17 2wns s ASP 148 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.93 2wns s ASP 148 CO 0.00 -0.03 -0.14 0.00 0.21 0.00 0.00 175.17 175.21 2wns s ALA 149 N -0.30 1.32 -0.17 5.23 0.00 -0.29 -2.27 121.76 125.28 2wns s ALA 149 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2wns s ALA 149 Cb -0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2wns s ALA 149 CO -0.00 0.20 -0.00 0.42 0.00 0.00 0.00 175.76 176.37 2wns s ILE 150 N 0.29 4.16 0.07 0.00 -1.09 0.36 -0.34 121.20 124.65 2wns s ILE 150 Ca -0.08 -0.26 0.07 0.00 -2.23 0.00 0.00 60.65 58.15 2wns s ILE 150 Cb -0.13 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 2wns s ILE 150 CO 0.03 0.48 -0.19 0.54 -1.23 0.00 0.00 174.94 174.57 2wns s VAL 151 N 0.41 1.50 -0.04 2.92 0.11 0.09 -1.13 120.40 124.25 2wns s VAL 151 Ca -0.02 -1.33 -0.26 0.00 -2.93 0.00 0.00 61.98 57.44 2wns s VAL 151 Cb -0.14 -1.36 -0.21 0.00 -1.53 0.00 0.00 36.38 33.15 2wns s VAL 151 CO 0.02 -0.01 1.17 0.25 -3.33 0.00 0.00 175.10 173.20 2wns h LEU 152 N 4.45 -0.01 -7.90 2.54 5.85 -1.24 -1.30 115.31 117.70 2wns h LEU 152 Ca -0.43 -0.57 -0.62 0.00 0.84 0.00 0.00 57.88 57.10 2wns h LEU 152 Cb 1.18 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.85 2wns h LEU 152 CO 0.41 0.57 -0.83 -0.22 -0.34 0.00 0.00 178.44 178.03 2wns s LEU 153 N -9.05 1.94 -0.31 2.25 2.96 -0.73 -2.05 118.68 113.69 2wns s LEU 153 Ca -0.16 -0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 52.96 2wns s LEU 153 Cb 0.01 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 2wns s LEU 153 CO 0.67 -0.07 0.40 -0.62 -1.32 0.00 0.00 176.35 175.41 2wns s ASP 154 N 1.42 6.24 0.00 3.68 -1.08 -0.36 -1.55 116.67 125.02 2wns s ASP 154 Ca 0.03 0.04 0.25 0.00 -0.52 0.00 0.00 52.55 52.35 2wns s ASP 154 Cb -0.14 -2.22 1.05 0.00 -1.46 0.00 0.00 42.92 40.16 2wns s ASP 154 CO -0.10 -0.30 1.79 0.54 0.52 0.00 0.00 175.17 177.62 2wns n ARG 155 N 5.43 0.00 -3.43 4.34 1.74 -0.46 -0.60 116.66 123.68 2wns n ARG 155 Ca -0.08 0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 2wns n ARG 155 Cb 0.50 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.52 2wns n ARG 155 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wns n GLU 156 N -1.50 -6.79 -2.22 5.56 1.02 -1.26 -4.64 120.64 110.80 2wns n GLU 156 Ca 0.06 0.80 -0.25 0.00 -0.02 0.00 0.00 57.16 57.75 2wns n GLU 156 Cb 0.29 -5.71 0.01 0.00 -0.02 0.00 0.00 31.44 26.01 2wns n GLU 156 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wns n GLN 157 N -4.28 3.53 0.00 3.49 6.02 -1.24 -4.91 117.38 119.98 2wns n GLN 157 Ca -0.17 -4.32 0.00 0.00 -0.01 0.00 0.00 57.00 52.50 2wns n GLN 157 Cb 0.62 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.62 2wns n GLN 157 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wns n GLY 158 N -0.61 0.25 0.14 1.08 0.00 -1.25 -4.12 105.19 100.69 2wns n GLY 158 Ca 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 2wns n GLY 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wns h GLY 159 N 0.00 0.33 0.97 -0.02 0.00 -1.51 -1.90 103.07 100.94 2wns h GLY 159 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.33 2wns h GLY 159 CO 0.00 -0.03 0.33 1.70 0.00 0.00 0.00 176.54 178.55 2wns h LYS 160 N 0.15 0.66 -0.09 4.80 3.64 -1.89 -0.73 116.57 123.11 2wns h LYS 160 Ca 0.14 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 2wns h LYS 160 Cb 0.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2wns h LYS 160 CO -0.20 0.44 -0.61 -0.44 -2.27 0.00 0.00 179.45 176.37 2wns h ASP 161 N 0.68 0.37 -0.18 4.20 3.32 -1.92 -1.60 116.42 121.29 2wns h ASP 161 Ca 0.20 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 2wns h ASP 161 Cb -0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2wns h ASP 161 CO -0.06 0.89 -0.41 0.50 -1.72 0.00 0.00 179.24 178.45 2wns h LYS 162 N 0.24 0.59 -0.70 3.56 3.64 -1.09 -1.90 116.57 120.90 2wns h LYS 162 Ca -0.01 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 58.92 2wns h LYS 162 Cb 1.13 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2wns h LYS 162 CO 0.10 1.01 0.20 -0.07 -2.27 0.00 0.00 179.45 178.43 2wns h LEU 163 N 0.25 1.02 -0.89 5.20 3.38 -1.11 -2.89 115.31 120.27 2wns h LEU 163 Ca -0.00 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 2wns h LEU 163 Cb 1.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2wns h LEU 163 CO 0.09 0.96 -0.24 -0.61 0.09 0.00 0.00 178.44 178.73 2wns h GLN 164 N 1.05 0.54 0.00 1.13 4.15 -0.83 -0.02 115.11 121.13 2wns h GLN 164 Ca 0.23 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2wns h GLN 164 Cb 0.32 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2wns h GLN 164 CO -0.00 0.74 0.03 0.00 -1.93 0.00 0.00 178.83 177.66 2wns h ALA 165 N 1.27 1.02 -0.16 3.38 0.00 -1.13 -2.39 119.26 121.25 2wns h ALA 165 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wns h ALA 165 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wns h ALA 165 CO 0.05 -0.02 0.00 0.72 0.00 0.00 0.00 179.25 180.00 2wns n HIS 166 N -2.72 0.58 -1.05 0.00 8.25 -0.36 -4.98 115.22 114.95 2wns n HIS 166 Ca -0.02 -0.91 -0.02 0.00 -0.26 0.00 0.00 57.72 56.51 2wns n HIS 166 Cb 0.08 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 2wns n HIS 166 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wns n GLY 167 N -0.83 0.50 3.27 -1.41 0.00 -0.90 -5.04 105.19 100.79 2wns n GLY 167 Ca 0.19 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2wns n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wns s ILE 168 N -2.06 2.73 -0.33 -0.61 -1.09 -0.16 -4.56 121.20 115.12 2wns s ILE 168 Ca 0.00 -0.75 -0.22 0.00 -2.23 0.00 0.00 60.65 57.45 2wns s ILE 168 Cb 0.00 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 2wns s ILE 168 CO 0.00 0.51 0.73 -0.13 -1.23 0.00 0.00 174.94 174.82 2wns s ARG 169 N 0.82 3.84 -0.23 2.79 0.52 0.41 -2.26 118.95 124.84 2wns s ARG 169 Ca -0.05 0.36 -0.22 0.00 -0.52 0.00 0.00 55.73 55.30 2wns s ARG 169 Cb -0.15 -3.76 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 2wns s ARG 169 CO 0.00 -0.71 0.70 -1.17 0.02 0.00 0.00 175.30 174.15 2wns s LEU 170 N 2.87 4.10 -0.21 2.53 2.96 -1.26 -1.13 118.68 128.54 2wns s LEU 170 Ca 0.29 0.87 -0.04 0.00 -0.22 0.00 0.00 54.13 55.04 2wns s LEU 170 Cb -0.14 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.54 2wns s LEU 170 CO 0.14 -0.39 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.73 2wns s HIS 171 N 2.42 2.96 0.09 5.38 3.76 0.54 -4.99 115.29 125.45 2wns s HIS 171 Ca 0.30 -0.82 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 2wns s HIS 171 Cb -0.16 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 2wns s HIS 171 CO 0.09 -0.46 -0.12 -1.54 -0.85 0.00 0.00 174.74 171.87 2wns s SER 172 N 1.27 4.28 0.13 1.40 1.04 -1.26 -0.73 113.70 119.82 2wns s SER 172 Ca 0.03 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.01 2wns s SER 172 Cb -0.14 -0.79 -0.09 0.00 0.10 0.00 0.00 66.02 65.09 2wns s SER 172 CO -0.01 0.20 1.32 0.58 0.98 0.00 0.00 173.24 176.30 2wns h VAL 173 N 3.42 1.36 -2.00 5.02 2.07 -1.16 -3.47 116.25 121.48 2wns h VAL 173 Ca -0.49 -2.29 -0.05 0.00 0.82 0.00 0.00 66.70 64.69 2wns h VAL 173 Cb 1.17 2.29 -0.20 0.00 -1.52 0.00 0.00 31.29 33.03 2wns h VAL 173 CO 0.51 0.69 0.16 0.00 0.02 0.00 0.00 177.57 178.95 2wns s THR 175 N -0.50 3.19 0.12 0.00 -4.23 -1.26 -1.23 115.64 111.74 2wns s THR 175 Ca -0.06 -0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 2wns s THR 175 Cb -0.02 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 2wns s THR 175 CO 0.06 -0.12 1.64 0.25 -0.54 0.00 0.00 174.62 175.91 2wns h LEU 176 N 0.25 0.48 -0.51 4.79 5.85 -1.12 -1.86 115.31 123.19 2wns h LEU 176 Ca -0.43 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.12 2wns h LEU 176 Cb 1.28 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2wns h LEU 176 CO 0.53 0.55 0.29 0.28 -0.34 0.00 0.00 178.44 179.75 2wns h SER 177 N 0.39 0.45 -0.62 1.25 0.02 -1.89 0.15 113.55 113.31 2wns h SER 177 Ca 0.11 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2wns h SER 177 Cb 0.23 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2wns h SER 177 CO -0.00 0.31 0.26 0.50 -1.14 0.00 0.00 176.83 176.76 2wns h LYS 178 N 0.57 0.95 -0.50 3.45 1.63 -1.94 -1.48 116.57 119.24 2wns h LYS 178 Ca 0.21 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 2wns h LYS 178 Cb 0.06 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 2wns h LYS 178 CO -0.12 0.77 0.11 1.98 -3.45 0.00 0.00 179.45 178.75 2wns h MET 179 N 0.93 0.81 -0.39 1.90 4.05 -0.49 -1.10 114.93 120.64 2wns h MET 179 Ca 0.22 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2wns h MET 179 Cb 0.18 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2wns h MET 179 CO -0.02 0.79 -0.02 -0.07 0.23 0.00 0.00 176.91 177.82 2wns h LEU 180 N 0.69 0.60 -0.43 3.39 3.38 -0.50 -1.46 115.31 120.98 2wns h LEU 180 Ca 0.16 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2wns h LEU 180 Cb 0.35 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2wns h LEU 180 CO 0.00 0.68 -0.00 -0.33 0.09 0.00 0.00 178.44 178.88 2wns h GLU 181 N 0.59 0.77 -0.46 1.13 5.08 -0.91 -1.14 114.58 119.65 2wns h GLU 181 Ca 0.12 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2wns h GLU 181 Cb 0.40 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2wns h GLU 181 CO 0.02 0.84 0.19 0.82 -1.00 0.00 0.00 179.01 179.88 2wns h ILE 182 N 0.61 1.20 -0.69 3.13 2.04 -0.87 -1.38 117.51 121.55 2wns h ILE 182 Ca 0.12 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 2wns h ILE 182 Cb 0.50 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2wns h ILE 182 CO 0.02 0.23 0.22 -0.07 0.00 0.00 0.00 178.15 178.55 2wns h LEU 183 N 0.61 0.99 -0.27 1.44 3.38 -1.05 0.12 115.31 120.52 2wns h LEU 183 Ca 0.16 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2wns h LEU 183 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2wns h LEU 183 CO -0.01 0.92 -0.09 -0.08 0.09 0.00 0.00 178.44 179.26 2wns h GLU 184 N 1.03 0.54 -0.95 1.13 4.81 -1.12 0.45 114.58 120.45 2wns h GLU 184 Ca 0.23 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2wns h GLU 184 Cb 0.28 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 2wns h GLU 184 CO -0.01 0.76 0.62 0.37 -0.73 0.00 0.00 179.01 180.02 2wns h GLN 185 N 0.28 1.10 -0.30 1.92 5.75 -0.91 -1.84 115.11 121.11 2wns h GLN 185 Ca 0.07 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2wns h GLN 185 Cb 0.58 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.88 2wns h GLN 185 CO 0.03 0.73 0.00 1.04 -2.65 0.00 0.00 178.83 177.98 2wns n GLN 186 N -4.48 1.69 -1.89 1.69 1.13 0.40 -4.91 117.38 111.02 2wns n GLN 186 Ca 0.14 -1.06 -0.19 0.00 -1.94 0.00 0.00 57.00 53.96 2wns n GLN 186 Cb 0.16 -1.24 -0.05 0.00 0.11 0.00 0.00 30.24 29.22 2wns n GLN 186 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wns n LYS 187 N 0.36 -1.37 0.01 -1.09 4.76 -0.69 -4.88 118.16 115.26 2wns n LYS 187 Ca 0.10 1.04 -0.10 0.00 -2.87 0.00 0.00 58.31 56.49 2wns n LYS 187 Cb 0.25 -5.43 -0.14 0.00 -1.84 0.00 0.00 35.03 27.88 2wns n LYS 187 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2wns h LYS 188 N 0.00 0.04 -4.86 1.97 1.79 -1.16 -3.46 116.57 110.89 2wns h LYS 188 Ca -0.41 -0.06 -0.36 0.00 -2.18 0.00 0.00 60.65 57.65 2wns h LYS 188 Cb 1.26 0.02 -0.24 0.00 -1.58 0.00 0.00 32.23 31.69 2wns h LYS 188 CO 0.54 0.71 -0.76 0.54 -1.08 0.00 0.00 179.45 179.40 2wns s VAL 189 N -2.63 0.77 0.63 0.50 0.11 -1.14 -5.02 120.40 113.63 2wns s VAL 189 Ca -0.05 -0.92 -0.10 0.00 -2.93 0.00 0.00 61.98 57.98 2wns s VAL 189 Cb 0.08 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2wns s VAL 189 CO 0.82 -0.14 1.01 1.51 -3.33 0.00 0.00 175.10 174.96 2wns s ASP 190 N -1.19 5.81 0.34 3.54 1.47 -1.26 -4.08 116.67 121.31 2wns s ASP 190 Ca -0.03 1.12 0.06 0.00 1.18 0.00 0.00 52.55 54.88 2wns s ASP 190 Cb -0.08 -2.10 0.63 0.00 -0.34 0.00 0.00 42.92 41.03 2wns s ASP 190 CO 0.01 -1.05 1.86 0.00 0.68 0.00 0.00 175.17 176.67 2wns h ALA 191 N -0.36 1.37 -0.21 2.11 0.00 -1.99 -2.63 119.26 117.55 2wns h ALA 191 Ca -0.45 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 2wns h ALA 191 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wns h ALA 191 CO 0.62 0.43 -0.64 1.49 0.00 0.00 0.00 179.25 181.16 2wns h GLU 192 N 0.41 0.76 -0.37 0.00 4.57 -1.99 -1.49 114.58 116.47 2wns h GLU 192 Ca 0.08 -0.53 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 2wns h GLU 192 Cb 0.39 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2wns h GLU 192 CO 0.02 1.16 0.22 1.15 -1.18 0.00 0.00 179.01 180.37 2wns h THR 193 N 0.56 1.05 -0.60 0.32 2.02 -1.88 0.20 112.91 114.56 2wns h THR 193 Ca -0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2wns h THR 193 Cb 1.24 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2wns h THR 193 CO 0.13 0.08 0.31 0.58 0.37 0.00 0.00 175.52 176.99 2wns h VAL 194 N 0.45 1.20 -0.12 3.16 2.07 -1.40 0.14 116.25 121.74 2wns h VAL 194 Ca 0.14 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2wns h VAL 194 Cb -0.00 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2wns h VAL 194 CO -0.06 0.23 0.07 1.23 0.02 0.00 0.00 177.57 179.05 2wns h GLY 195 N 0.82 0.19 0.96 2.17 0.00 -1.00 0.01 103.07 106.22 2wns h GLY 195 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.47 2wns h GLY 195 CO -0.03 0.08 0.30 -0.09 0.00 0.00 0.00 176.54 176.80 2wns h ARG 196 N 0.10 0.58 -0.26 4.80 2.43 -0.32 0.07 114.38 121.79 2wns h ARG 196 Ca 0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2wns h ARG 196 Cb 0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2wns h ARG 196 CO -0.01 0.39 0.08 0.28 -1.51 0.00 0.00 179.97 179.20 2wns h VAL 197 N 0.60 1.20 -0.54 0.20 2.07 -0.56 -0.23 116.25 118.99 2wns h VAL 197 Ca 0.18 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2wns h VAL 197 Cb -0.04 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2wns h VAL 197 CO -0.05 0.21 0.32 0.11 0.02 0.00 0.00 177.57 178.17 2wns h LYS 198 N 0.26 0.73 -0.02 1.57 1.57 -0.84 -1.83 116.57 118.01 2wns h LYS 198 Ca 0.08 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wns h LYS 198 Cb 0.24 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wns h LYS 198 CO -0.00 0.53 0.00 -0.09 -0.57 0.00 0.00 179.45 179.32 2wns h ARG 199 N 0.72 0.03 -0.21 3.15 2.43 -0.77 -2.21 114.38 117.54 2wns h ARG 199 Ca 0.19 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 2wns h ARG 199 Cb -0.01 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2wns h ARG 199 CO -0.04 0.26 -0.19 0.35 -1.51 0.00 0.00 179.97 178.84 2wns h PHE 200 N -0.21 -0.49 -0.12 2.20 3.57 -1.01 -2.77 116.94 118.12 2wns h PHE 200 Ca 0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2wns h PHE 200 Cb 0.24 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2wns h PHE 200 CO 0.01 -0.27 -0.06 0.82 -2.23 0.00 0.00 178.31 176.58 2wns h ILE 201 N -0.20 0.80 -1.00 1.41 2.04 -1.23 -0.59 117.51 118.74 2wns h ILE 201 Ca 0.12 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.35 2wns h ILE 201 Cb 0.39 0.80 -0.16 0.00 -0.74 0.00 0.00 36.82 37.10 2wns h ILE 201 CO -0.33 0.00 0.54 -0.61 0.00 0.00 0.00 178.15 177.76 2wns h GLN 202 N -0.06 0.16 -0.03 2.37 4.15 -1.21 -3.52 115.11 116.97 2wns h GLN 202 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2wns h GLN 202 Cb 0.16 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2wns h GLN 202 CO -0.16 0.10 0.00 0.39 -1.93 0.00 0.00 178.83 177.24