#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1run h THR 10 N 0.00 0.08 0.56 0.52 2.02 -2.01 0.62 112.91 114.70 1run h THR 10 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1run h THR 10 Cb 0.00 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1run h THR 10 CO 0.00 0.00 -0.43 0.25 0.37 0.00 0.00 175.52 175.71 1run h LEU 11 N 0.02 -1.13 -1.74 2.58 7.12 -2.01 -1.03 115.31 119.12 1run h LEU 11 Ca 0.86 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.92 1run h LEU 11 Cb 3.19 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 43.67 1run h LEU 11 CO -0.17 -0.62 -0.16 -0.33 -0.13 0.00 0.00 178.44 177.03 1run h GLU 12 N -0.96 0.00 0.21 1.25 4.39 -1.31 0.95 114.58 119.11 1run h GLU 12 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1run h GLU 12 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1run h GLU 12 CO 0.01 0.16 -0.10 2.35 -1.16 0.00 0.00 179.01 180.26 1run h TRP 13 N 0.00 -0.26 0.42 4.33 7.01 -1.56 -3.20 115.95 122.69 1run h TRP 13 Ca -0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1run h TRP 13 Cb 0.30 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 1run h TRP 13 CO 0.00 0.09 -0.47 0.35 -2.79 0.00 0.00 178.44 175.63 1run h PHE 14 N -0.67 -1.30 -0.49 2.65 3.57 -0.14 -3.28 116.94 117.27 1run h PHE 14 Ca -0.03 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.57 1run h PHE 14 Cb 0.47 0.51 -0.10 0.00 2.79 0.00 0.00 35.95 39.62 1run h PHE 14 CO 0.04 -0.61 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.08 1run h LEU 15 N -0.90 -1.23 -0.44 0.59 3.38 -0.99 -3.07 115.31 112.66 1run h LEU 15 Ca -0.05 0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.24 1run h LEU 15 Cb 0.79 0.58 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 1run h LEU 15 CO -0.08 -0.33 -0.05 -1.54 0.09 0.00 0.00 178.44 176.53 1run n SER 16 N -5.42 -0.10 -0.96 -0.43 3.41 -1.21 0.47 113.62 109.39 1run n SER 16 Ca 0.02 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1run n SER 16 Cb 0.35 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1run n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1run n HIS 17 N -4.59 0.00 -4.11 7.33 8.25 -1.16 -4.72 115.22 116.23 1run n HIS 17 Ca 0.09 -0.33 -0.30 0.00 -0.26 0.00 0.00 57.72 56.92 1run n HIS 17 Cb 0.28 -0.20 -0.17 0.00 1.12 0.00 0.00 29.99 31.03 1run n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1run s HIS 19 N 1.39 2.12 -0.08 0.00 3.76 -0.91 -4.39 115.29 117.17 1run s HIS 19 Ca 0.02 0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 54.97 1run s HIS 19 Cb -0.13 -3.97 -0.05 0.00 1.11 0.00 0.00 32.58 29.54 1run s HIS 19 CO -0.09 -4.01 0.39 0.42 -0.85 0.00 0.00 174.74 170.60 1run s ILE 20 N 3.43 5.17 0.06 0.60 1.09 -1.26 -2.47 121.20 127.82 1run s ILE 20 Ca 0.75 0.77 0.04 0.00 -1.10 0.00 0.00 60.65 61.11 1run s ILE 20 Cb -0.37 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 1run s ILE 20 CO 0.32 0.45 -0.11 -1.00 -0.10 0.00 0.00 174.94 174.50 1run s HIS 21 N -0.13 0.97 -0.88 3.97 3.76 0.24 -4.96 115.29 118.25 1run s HIS 21 Ca 0.22 -0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 54.62 1run s HIS 21 Cb -0.15 -0.56 0.22 0.00 1.11 0.00 0.00 32.58 33.21 1run s HIS 21 CO 0.09 -0.01 0.79 1.63 -0.85 0.00 0.00 174.74 176.40 1run n LYS 22 N 1.28 2.64 -2.14 1.40 5.02 -1.26 -1.53 118.16 123.57 1run n LYS 22 Ca -0.21 -4.49 -0.41 0.00 -2.02 0.00 0.00 58.31 51.17 1run n LYS 22 Cb 0.55 -2.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.13 1run n LYS 22 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1run s TYR 23 N -1.50 3.13 0.39 2.13 2.02 -1.21 -4.84 117.35 117.47 1run s TYR 23 Ca 0.28 1.30 -0.04 0.00 -0.37 0.00 0.00 57.07 58.25 1run s TYR 23 Cb -0.05 -3.67 0.08 0.00 -0.40 0.00 0.00 41.96 37.93 1run s TYR 23 CO -0.12 -1.95 0.53 -0.35 -1.57 0.00 0.00 175.55 172.09 1run n PRO 24 N 1.63 -0.13 -1.44 -1.71 -0.04 -1.26 -2.43 135.00 129.61 1run n PRO 24 Ca 0.03 -1.12 -0.51 0.00 -0.04 0.00 0.00 63.50 61.87 1run n PRO 24 Cb 0.42 -0.46 -0.07 0.00 -0.04 0.00 0.00 33.50 33.35 1run n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1run n SER 25 N -3.16 2.03 -1.46 3.54 7.64 -1.26 -2.09 113.62 118.86 1run n SER 25 Ca 0.08 0.40 -0.08 0.00 1.01 0.00 0.00 58.87 60.27 1run n SER 25 Cb 0.27 -1.25 0.02 0.00 -1.01 0.00 0.00 64.21 62.25 1run n SER 25 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1run n LYS 26 N 8.19 -2.42 -0.01 1.43 5.02 0.65 -5.03 118.16 125.99 1run n LYS 26 Ca 0.42 0.30 -0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1run n LYS 26 Cb 0.22 -3.79 0.00 0.00 -0.02 0.00 0.00 35.03 31.44 1run n LYS 26 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1run n SER 27 N 0.03 -0.81 -3.58 4.39 7.64 -0.89 -4.72 113.62 115.68 1run n SER 27 Ca -0.01 -0.61 -0.28 0.00 1.01 0.00 0.00 58.87 58.98 1run n SER 27 Cb 0.53 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 1run n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1run s THR 28 N -1.03 -0.03 -0.25 0.44 2.01 -1.26 -3.53 115.64 111.99 1run s THR 28 Ca 0.01 -0.52 0.22 0.00 0.31 0.00 0.00 61.69 61.72 1run s THR 28 Cb -0.00 -0.83 -0.10 0.00 0.01 0.00 0.00 72.50 71.58 1run s THR 28 CO 0.01 -0.52 0.91 0.18 -0.69 0.00 0.00 174.62 174.51 1run n LEU 29 N 5.24 0.61 -3.68 4.42 4.77 -1.04 -4.82 117.00 122.49 1run n LEU 29 Ca -0.06 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1run n LEU 29 Cb 0.45 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1run n LEU 29 CO 0.07 -0.11 -0.11 -0.63 -1.33 0.00 0.00 177.39 175.28 1run s ILE 30 N -3.37 -0.31 -0.04 -0.08 1.01 -1.11 -4.96 121.20 112.35 1run s ILE 30 Ca -0.01 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.76 1run s ILE 30 Cb 0.11 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 1run s ILE 30 CO 0.82 0.10 0.29 -2.28 0.00 0.00 0.00 174.94 173.86 1run s HIS 31 N 2.07 3.65 0.47 3.97 2.46 -1.26 -1.58 115.29 125.07 1run s HIS 31 Ca -0.02 0.74 -0.19 0.00 0.47 0.00 0.00 55.06 56.06 1run s HIS 31 Cb -0.11 -2.10 -0.09 0.00 -0.13 0.00 0.00 32.58 30.14 1run s HIS 31 CO -0.09 0.67 0.97 -1.14 -2.47 0.00 0.00 174.74 172.68 1run s GLN 32 N -1.22 4.07 0.00 2.88 0.74 -1.23 -3.73 119.66 121.18 1run s GLN 32 Ca 0.22 1.05 0.00 0.00 0.05 0.00 0.00 55.36 56.68 1run s GLN 32 Cb -0.14 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.81 1run s GLN 32 CO 0.11 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 1run n GLY 33 N -1.07 3.09 3.69 2.59 0.00 -1.24 -4.95 105.19 107.32 1run n GLY 33 Ca 0.07 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1run n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1run s GLU 34 N 0.00 0.42 0.34 1.61 4.04 -1.24 -4.42 118.70 119.45 1run s GLU 34 Ca 0.00 0.40 -0.29 0.00 0.04 0.00 0.00 54.97 55.13 1run s GLU 34 Cb 0.00 -1.75 -0.11 0.00 0.02 0.00 0.00 34.13 32.29 1run s GLU 34 CO 0.00 -2.71 1.50 0.36 -1.84 0.00 0.00 175.26 172.57 1run n LYS 35 N -4.14 2.60 -4.07 -4.83 -0.00 -1.26 -0.77 118.16 105.69 1run n LYS 35 Ca 0.06 0.92 -0.35 0.00 -0.00 0.00 0.00 58.31 58.94 1run n LYS 35 Cb 0.58 -2.64 -0.11 0.00 -0.00 0.00 0.00 35.03 32.86 1run n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1run s ALA 36 N -0.71 3.29 0.00 0.58 0.00 -1.17 -4.81 121.76 118.93 1run s ALA 36 Ca 0.57 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1run s ALA 36 Cb -0.50 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1run s ALA 36 CO 0.58 0.11 0.00 -1.91 0.00 0.00 0.00 175.76 174.55 1run n GLU 37 N 3.68 0.00 -3.30 0.00 4.07 -1.26 -4.89 120.64 118.94 1run n GLU 37 Ca -0.17 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.54 1run n GLU 37 Cb 0.52 -0.24 -0.08 0.00 -0.06 0.00 0.00 31.44 31.58 1run n GLU 37 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1run s THR 38 N -1.00 5.12 -0.45 6.31 -4.23 -1.26 -1.17 115.64 118.95 1run s THR 38 Ca 0.00 0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 61.13 1run s THR 38 Cb 0.00 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.10 1run s THR 38 CO 0.00 0.14 0.42 -0.22 -0.54 0.00 0.00 174.62 174.42 1run s LEU 39 N 2.03 5.22 0.60 4.79 2.96 -1.21 -4.57 118.68 128.50 1run s LEU 39 Ca 0.20 -1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.07 1run s LEU 39 Cb -0.16 -2.27 0.04 0.00 0.50 0.00 0.00 46.19 44.30 1run s LEU 39 CO 0.09 -0.63 0.86 -0.31 -1.32 0.00 0.00 176.35 175.05 1run s TYR 40 N 1.93 2.97 -0.17 5.38 1.51 -0.17 -3.34 117.35 125.47 1run s TYR 40 Ca 0.08 0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 56.33 1run s TYR 40 Cb -0.21 -2.85 0.08 0.00 -0.11 0.00 0.00 41.96 38.87 1run s TYR 40 CO 0.10 -0.99 0.37 -0.47 -1.11 0.00 0.00 175.55 173.44 1run s TYR 41 N -2.94 -0.64 -0.75 2.71 6.14 -0.84 -0.38 117.35 120.66 1run s TYR 41 Ca 0.57 1.29 -0.26 0.00 0.64 0.00 0.00 57.07 59.31 1run s TYR 41 Cb -0.10 0.19 0.04 0.00 0.42 0.00 0.00 41.96 42.50 1run s TYR 41 CO 0.41 -0.41 1.26 0.42 0.64 0.00 0.00 175.55 177.88 1run s ILE 42 N 2.27 3.79 -1.26 3.14 1.01 -1.10 -0.50 121.20 128.55 1run s ILE 42 Ca -0.03 0.26 0.21 0.00 0.00 0.00 0.00 60.65 61.09 1run s ILE 42 Cb -0.11 -4.91 0.29 0.00 0.01 0.00 0.00 42.46 37.74 1run s ILE 42 CO -0.11 -1.83 1.66 0.52 0.00 0.00 0.00 174.94 175.18 1run n VAL 43 N 6.37 0.45 0.00 2.92 0.31 0.26 -1.55 118.33 127.09 1run n VAL 43 Ca 0.05 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1run n VAL 43 Cb 0.49 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1run n VAL 43 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1run n LYS 44 N -1.37 0.00 0.00 5.55 4.81 -1.03 -4.89 118.16 121.23 1run n LYS 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1run n LYS 44 Cb 0.20 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.25 1run n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1run n GLY 45 N -0.21 -0.14 3.61 3.14 0.00 -1.26 -0.72 105.19 109.61 1run n GLY 45 Ca 0.00 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 1run n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1run s SER 46 N -4.00 -0.70 0.17 1.61 1.04 -1.26 -3.13 113.70 107.42 1run s SER 46 Ca 0.00 1.25 0.06 0.00 0.48 0.00 0.00 55.95 57.75 1run s SER 46 Cb 0.00 1.24 -0.04 0.00 0.10 0.00 0.00 66.02 67.32 1run s SER 46 CO 0.00 -0.30 0.04 -0.69 0.98 0.00 0.00 173.24 173.27 1run s VAL 47 N 0.08 3.99 -0.21 5.02 1.01 -0.32 -0.39 120.40 129.58 1run s VAL 47 Ca -0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.66 1run s VAL 47 Cb -0.04 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1run s VAL 47 CO 0.02 -0.09 0.04 0.00 0.00 0.00 0.00 175.10 175.06 1run s ALA 48 N -1.71 1.10 0.01 5.51 0.00 -1.23 -1.11 121.76 124.34 1run s ALA 48 Ca 0.28 -0.82 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 1run s ALA 48 Cb -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1run s ALA 48 CO 0.20 -1.22 0.89 0.08 0.00 0.00 0.00 175.76 175.71 1run s VAL 49 N 1.81 4.82 0.18 0.00 1.01 -0.12 -2.27 120.40 125.82 1run s VAL 49 Ca -0.00 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1run s VAL 49 Cb -0.17 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1run s VAL 49 CO -0.10 0.24 -0.07 -0.76 0.00 0.00 0.00 175.10 174.41 1run s LEU 50 N 0.62 2.41 0.12 3.92 1.02 0.10 -0.22 118.68 126.65 1run s LEU 50 Ca 0.46 -1.08 0.07 0.00 0.02 0.00 0.00 54.13 53.59 1run s LEU 50 Cb -0.21 -0.32 -0.04 0.00 0.02 0.00 0.00 46.19 45.64 1run s LEU 50 CO 0.26 -0.39 -0.16 0.27 0.02 0.00 0.00 176.35 176.35 1run s ILE 51 N -3.36 1.44 0.02 -0.59 -4.36 -0.97 -0.93 121.20 112.46 1run s ILE 51 Ca 0.21 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1run s ILE 51 Cb 0.04 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.19 1run s ILE 51 CO 0.03 -0.33 -0.06 -0.75 0.24 0.00 0.00 174.94 174.08 1run s LYS 52 N -2.48 0.41 -0.14 0.37 2.20 -1.26 -1.32 119.74 117.51 1run s LYS 52 Ca 0.08 -0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 1run s LYS 52 Cb -0.06 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.01 1run s LYS 52 CO 0.04 0.04 0.11 0.34 -0.36 0.00 0.00 175.35 175.52 1run s ASP 53 N -1.10 6.11 0.57 1.43 2.15 0.51 -4.98 116.67 121.37 1run s ASP 53 Ca -0.08 0.32 0.41 0.00 0.43 0.00 0.00 52.55 53.63 1run s ASP 53 Cb -0.07 -1.99 1.47 0.00 -0.30 0.00 0.00 42.92 42.02 1run s ASP 53 CO -0.00 0.32 1.54 -0.33 -0.17 0.00 0.00 175.17 176.53 1run h GLU 54 N 5.65 0.00 -5.03 4.34 3.07 -2.01 -3.25 114.58 117.35 1run h GLU 54 Ca -0.49 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.73 1run h GLU 54 Cb 1.20 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.88 1run h GLU 54 CO 0.64 0.00 -0.64 -1.21 -1.40 0.00 0.00 179.01 176.39 1run s GLU 55 N -4.74 3.63 0.00 2.33 2.02 -1.26 -5.02 118.70 115.66 1run s GLU 55 Ca -0.04 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1run s GLU 55 Cb 0.22 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1run s GLU 55 CO 0.75 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1run n GLY 56 N 4.60 0.00 3.85 -1.39 0.00 -1.23 -4.87 105.19 106.15 1run n GLY 56 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1run n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1run s LYS 57 N 0.00 3.29 0.05 1.61 2.20 -1.26 -4.80 119.74 120.82 1run s LYS 57 Ca 0.00 0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 1run s LYS 57 Cb 0.00 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 1run s LYS 57 CO 0.00 -0.82 -0.01 -1.83 -0.36 0.00 0.00 175.35 172.33 1run s GLU 58 N -5.12 0.58 -0.08 4.03 -1.05 -1.26 -0.36 118.70 115.44 1run s GLU 58 Ca 0.56 -1.10 -0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1run s GLU 58 Cb -0.12 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1run s GLU 58 CO 0.54 -0.11 -0.04 1.41 0.95 0.00 0.00 175.26 178.01 1run s MET 59 N -3.54 1.06 -0.80 -4.83 1.75 -0.44 -4.78 119.30 107.73 1run s MET 59 Ca 0.03 -0.10 -0.25 0.00 -1.25 0.00 0.00 55.69 54.12 1run s MET 59 Cb 0.05 -1.21 -0.07 0.00 2.84 0.00 0.00 34.83 36.44 1run s MET 59 CO -0.09 -0.23 2.10 0.42 -0.65 0.00 0.00 175.02 176.57 1run s ILE 60 N 1.62 3.28 -1.92 10.11 1.01 -1.02 -2.29 121.20 131.98 1run s ILE 60 Ca 0.01 -0.16 0.27 0.00 0.00 0.00 0.00 60.65 60.77 1run s ILE 60 Cb -0.13 -3.65 0.72 0.00 0.01 0.00 0.00 42.46 39.41 1run s ILE 60 CO -0.05 -0.62 1.94 -0.11 0.00 0.00 0.00 174.94 176.11 1run n LEU 61 N 15.22 0.00 0.00 2.97 0.00 0.69 -4.70 117.00 131.18 1run n LEU 61 Ca 0.39 0.04 0.00 0.00 0.00 0.00 0.00 56.01 56.44 1run n LEU 61 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.85 1run n LEU 61 CO 0.61 -0.01 0.00 -0.24 0.00 0.00 0.00 177.39 177.75 1run n SER 62 N -1.04 0.00 -4.65 1.96 2.88 -1.20 -4.95 113.62 106.63 1run n SER 62 Ca 0.19 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.41 1run n SER 62 Cb 0.11 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 1run n SER 62 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1run s TYR 63 N -2.00 2.99 0.08 0.66 2.02 -1.26 -0.95 117.35 118.89 1run s TYR 63 Ca 0.00 0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.78 1run s TYR 63 Cb 0.00 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1run s TYR 63 CO 0.00 0.43 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.74 1run s LEU 64 N -1.56 2.27 0.00 -1.29 1.02 -0.27 -4.93 118.68 113.93 1run s LEU 64 Ca 0.19 -0.62 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1run s LEU 64 Cb -0.11 -0.62 -0.01 0.00 0.02 0.00 0.00 46.19 45.46 1run s LEU 64 CO 0.10 -0.03 0.08 0.59 0.02 0.00 0.00 176.35 177.11 1run n ASN 65 N 1.29 0.54 -4.72 2.29 4.13 -1.26 -1.17 115.26 116.36 1run n ASN 65 Ca -0.20 -1.93 -0.60 0.00 1.68 0.00 0.00 54.58 53.52 1run n ASN 65 Cb 0.54 0.55 -0.08 0.00 -1.54 0.00 0.00 39.78 39.25 1run n ASN 65 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1run n GLN 66 N -0.35 0.85 0.00 3.52 7.27 -1.18 -0.97 117.38 126.51 1run n GLN 66 Ca -0.00 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.38 1run n GLN 66 Cb 0.26 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 30.97 1run n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1run n GLY 67 N 4.11 2.33 3.72 1.69 0.00 -0.59 -5.00 105.19 111.45 1run n GLY 67 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1run n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1run s ASP 68 N -1.00 7.40 0.61 1.61 1.01 -0.15 -4.90 116.67 121.25 1run s ASP 68 Ca 0.00 1.82 -0.14 0.00 0.71 0.00 0.00 52.55 54.94 1run s ASP 68 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1run s ASP 68 CO 0.00 -0.17 1.04 -0.36 0.21 0.00 0.00 175.17 175.89 1run s PHE 69 N 0.32 3.20 0.09 4.23 0.08 -1.26 -2.72 117.98 121.92 1run s PHE 69 Ca 0.50 1.45 0.02 0.00 0.12 0.00 0.00 56.93 59.01 1run s PHE 69 Cb -0.24 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.28 1run s PHE 69 CO 0.30 -0.93 -0.07 0.42 -0.10 0.00 0.00 175.22 174.84 1run s ILE 70 N -2.74 0.69 -1.20 0.64 1.01 0.49 -4.90 121.20 115.20 1run s ILE 70 Ca 0.60 -1.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.30 1run s ILE 70 Cb -0.14 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1run s ILE 70 CO 0.43 -0.82 0.75 0.61 0.00 0.00 0.00 174.94 175.91 1run n GLY 71 N 0.11 -0.73 0.01 6.18 0.00 -1.26 -0.99 105.19 108.50 1run n GLY 71 Ca -0.13 0.34 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1run n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1run n GLU 72 N -4.07 0.59 0.21 1.61 0.00 -1.26 -4.08 120.64 113.64 1run n GLU 72 Ca -0.18 -0.10 0.07 0.00 0.00 0.00 0.00 57.16 56.95 1run n GLU 72 Cb 0.63 -1.45 0.46 0.00 0.00 0.00 0.00 31.44 31.08 1run n GLU 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1run h LEU 73 N 0.00 0.00 0.18 -1.84 3.38 -1.97 -3.35 115.31 111.70 1run h LEU 73 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1run h LEU 73 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1run h LEU 73 CO 0.00 0.30 -0.11 1.23 0.09 0.00 0.00 178.44 179.95 1run h GLY 74 N 1.42 -0.52 0.00 0.83 0.00 -1.89 -3.38 103.07 99.54 1run h GLY 74 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1run h GLY 74 CO 0.04 -0.18 0.00 -0.10 0.00 0.00 0.00 176.54 176.29 1run n LEU 75 N -2.88 0.00 -0.04 3.11 7.94 -1.26 -1.04 117.00 122.83 1run n LEU 75 Ca -0.03 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.83 1run n LEU 75 Cb 0.11 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.99 1run n LEU 75 CO 0.08 0.00 -0.78 0.49 -1.11 0.00 0.00 177.39 176.07 1run n PHE 76 N -0.67 0.00 -3.55 1.96 3.72 -1.26 -4.86 117.46 112.80 1run n PHE 76 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1run n PHE 76 Cb 0.00 -0.43 -0.09 0.00 -0.94 0.00 0.00 39.48 38.02 1run n PHE 76 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1run s GLU 77 N -2.27 2.65 -0.04 -1.08 8.01 -0.20 -5.05 118.70 120.71 1run s GLU 77 Ca -0.04 -1.52 -0.30 0.00 0.01 0.00 0.00 54.97 53.12 1run s GLU 77 Cb 0.03 -3.88 -0.04 0.00 -4.31 0.00 0.00 34.13 25.93 1run s GLU 77 CO 0.38 -1.03 1.24 -2.00 0.01 0.00 0.00 175.26 173.86 1run s GLU 78 N 1.45 4.34 0.00 1.61 2.56 -1.26 -4.32 118.70 123.07 1run s GLU 78 Ca 0.04 1.74 0.00 0.00 0.00 0.00 0.00 54.97 56.75 1run s GLU 78 Cb -0.24 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.33 1run s GLU 78 CO 0.02 -0.47 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 1run n GLY 79 N 3.42 -0.54 3.77 -1.50 0.00 -1.26 -5.16 105.19 103.93 1run n GLY 79 Ca 0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 1run n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1run s GLN 80 N -0.82 1.19 0.20 1.61 -0.21 -1.26 -5.12 119.66 115.25 1run s GLN 80 Ca 0.00 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 54.74 1run s GLN 80 Cb 0.00 0.39 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 1run s GLN 80 CO 0.00 -0.55 0.27 -1.21 -2.12 0.00 0.00 175.29 171.68 1run s GLU 81 N -3.03 3.25 -1.16 2.91 2.02 -1.26 -3.07 118.70 118.36 1run s GLU 81 Ca 0.14 -0.78 -0.19 0.00 0.02 0.00 0.00 54.97 54.17 1run s GLU 81 Cb -0.01 -2.82 0.08 0.00 0.10 0.00 0.00 34.13 31.49 1run s GLU 81 CO 0.03 0.47 1.54 1.03 0.02 0.00 0.00 175.26 178.35 1run s ARG 82 N -3.54 3.84 0.00 1.61 1.81 0.05 -4.82 118.95 117.90 1run s ARG 82 Ca 0.33 -1.79 0.00 0.00 -1.72 0.00 0.00 55.73 52.56 1run s ARG 82 Cb -0.10 -5.35 0.00 0.00 -0.45 0.00 0.00 34.95 29.05 1run s ARG 82 CO 0.27 -2.12 0.00 -1.13 -0.68 0.00 0.00 175.30 171.64 1run n SER 83 N 7.96 0.00 -0.01 0.23 3.41 -1.26 -3.59 113.62 120.36 1run n SER 83 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1run n SER 83 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1run n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1run n ALA 84 N -1.94 0.00 -3.51 7.33 0.00 -1.26 -4.88 120.51 116.25 1run n ALA 84 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1run n ALA 84 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1run n ALA 84 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1run s TRP 85 N -2.15 2.88 -0.18 0.00 -0.11 -0.10 -3.49 118.94 115.78 1run s TRP 85 Ca 0.00 -1.00 -0.04 0.00 1.22 0.00 0.00 56.10 56.28 1run s TRP 85 Cb 0.00 -2.00 -0.02 0.00 -1.50 0.00 0.00 33.47 29.95 1run s TRP 85 CO 0.00 -0.51 -0.03 0.08 -4.62 0.00 0.00 176.95 171.87 1run s VAL 86 N 1.13 3.79 0.00 5.86 1.01 -0.61 0.00 120.40 131.58 1run s VAL 86 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1run s VAL 86 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1run s VAL 86 CO -0.03 0.46 0.00 -1.14 0.00 0.00 0.00 175.10 174.39 1run n ARG 87 N 3.96 2.95 -3.62 2.72 0.63 -0.96 -2.51 116.66 119.83 1run n ARG 87 Ca -0.17 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.58 1run n ARG 87 Cb 0.52 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.28 1run n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1run s ALA 88 N -2.00 -0.19 -0.54 5.13 0.00 -1.23 -3.49 121.76 119.43 1run s ALA 88 Ca 0.00 0.47 0.24 0.00 0.00 0.00 0.00 51.96 52.67 1run s ALA 88 Cb 0.00 -0.98 0.39 0.00 0.00 0.00 0.00 23.12 22.53 1run s ALA 88 CO 0.00 -0.78 1.44 -0.22 0.00 0.00 0.00 175.76 176.21 1run h LYS 89 N 8.35 0.00 -3.58 0.00 3.64 -1.05 0.18 116.57 124.12 1run h LYS 89 Ca -0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1run h LYS 89 Cb 1.13 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.86 1run h LYS 89 CO 0.19 0.00 -0.09 0.95 -2.27 0.00 0.00 179.45 178.23 1run s THR 90 N -3.20 0.01 0.19 1.00 -4.23 -1.22 -4.78 115.64 103.41 1run s THR 90 Ca 0.06 -1.29 -0.32 0.00 -1.18 0.00 0.00 61.69 58.96 1run s THR 90 Cb 0.11 -2.08 -0.12 0.00 1.34 0.00 0.00 72.50 71.75 1run s THR 90 CO 0.69 -0.04 1.75 0.00 -0.54 0.00 0.00 174.62 176.48 1run n ALA 91 N -0.37 2.65 -4.53 3.99 0.00 -1.26 -4.46 120.51 116.53 1run n ALA 91 Ca -0.03 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 1run n ALA 91 Cb 0.62 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 1run n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1run s GLU 93 N -3.46 0.06 -0.05 0.00 2.02 0.10 -3.30 118.70 114.07 1run s GLU 93 Ca 0.05 0.22 0.06 0.00 0.02 0.00 0.00 54.97 55.32 1run s GLU 93 Cb 0.00 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.14 1run s GLU 93 CO 0.04 -0.52 -0.23 0.08 0.02 0.00 0.00 175.26 174.65 1run s VAL 94 N 2.23 2.28 0.34 2.63 1.01 -0.58 0.89 120.40 129.19 1run s VAL 94 Ca 0.04 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1run s VAL 94 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1run s VAL 94 CO -0.08 0.57 0.46 0.00 0.00 0.00 0.00 175.10 176.05 1run s ALA 95 N -0.33 4.22 -0.24 5.51 0.00 0.34 -0.59 121.76 130.68 1run s ALA 95 Ca 0.02 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1run s ALA 95 Cb -0.12 -1.61 0.06 0.00 0.00 0.00 0.00 23.12 21.45 1run s ALA 95 CO 0.02 -0.05 0.61 -1.83 0.00 0.00 0.00 175.76 174.51 1run s GLU 96 N -4.17 0.69 -0.01 0.00 -1.05 -1.03 -1.99 118.70 111.14 1run s GLU 96 Ca 0.45 0.93 0.02 0.00 -0.15 0.00 0.00 54.97 56.23 1run s GLU 96 Cb -0.09 0.27 -0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1run s GLU 96 CO 0.31 -0.11 -0.07 0.42 0.95 0.00 0.00 175.26 176.76 1run s ILE 97 N 0.71 0.60 0.48 1.83 1.01 -1.21 -2.15 121.20 122.47 1run s ILE 97 Ca -0.03 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.08 1run s ILE 97 Cb -0.05 -0.52 -0.07 0.00 0.01 0.00 0.00 42.46 41.83 1run s ILE 97 CO -0.05 0.18 1.39 -0.94 0.00 0.00 0.00 174.94 175.53 1run s SER 98 N -0.00 5.71 0.10 3.58 1.04 -1.26 -3.32 113.70 119.54 1run s SER 98 Ca 0.00 2.85 -0.31 0.00 0.48 0.00 0.00 55.95 58.97 1run s SER 98 Cb -0.05 -2.65 -0.12 0.00 0.10 0.00 0.00 66.02 63.30 1run s SER 98 CO -0.00 -1.28 1.61 1.88 0.98 0.00 0.00 173.24 176.43 1run h TYR 99 N 2.06 -0.96 0.00 5.02 -1.99 -1.53 0.21 116.97 119.78 1run h TYR 99 Ca -0.51 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1run h TYR 99 Cb 1.28 0.38 0.00 0.00 2.00 0.00 0.00 36.73 40.39 1run h TYR 99 CO 0.49 -0.49 0.05 1.63 -0.00 0.00 0.00 178.16 179.85 1run n LYS 100 N -5.45 0.05 -0.08 4.88 4.01 -1.26 0.47 118.16 120.77 1run n LYS 100 Ca -0.09 0.52 -0.11 0.00 -0.51 0.00 0.00 58.31 58.12 1run n LYS 100 Cb 0.36 -1.71 -0.06 0.00 -0.51 0.00 0.00 35.03 33.10 1run n LYS 100 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1run h LYS 101 N 0.00 0.00 -0.92 1.97 3.11 -1.66 -3.30 116.57 115.76 1run h LYS 101 Ca 0.00 0.00 0.24 0.00 -2.81 0.00 0.00 60.65 58.08 1run h LYS 101 Cb 0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 31.17 1run h LYS 101 CO 0.00 0.44 0.06 0.35 -2.81 0.00 0.00 179.45 177.48 1run h PHE 102 N -1.00 0.01 -0.57 1.91 3.57 0.32 1.12 116.94 122.30 1run h PHE 102 Ca -0.14 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.53 1run h PHE 102 Cb 0.80 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1run h PHE 102 CO -0.06 -0.36 0.39 0.00 -2.23 0.00 0.00 178.31 176.05 1run h ARG 103 N 0.06 0.35 -0.17 1.11 3.08 -0.92 0.23 114.38 118.12 1run h ARG 103 Ca 0.55 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.43 1run h ARG 103 Cb 1.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1run h ARG 103 CO -0.83 0.23 -0.46 0.37 -1.07 0.00 0.00 179.97 178.22 1run h GLN 104 N 0.36 0.62 -0.21 0.04 4.15 0.12 -2.97 115.11 117.23 1run h GLN 104 Ca 0.26 -0.43 0.06 0.00 0.77 0.00 0.00 58.65 59.31 1run h GLN 104 Cb 0.56 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1run h GLN 104 CO -0.07 1.05 0.17 -0.07 -1.93 0.00 0.00 178.83 177.99 1run h LEU 105 N 0.29 0.00 0.92 -2.39 -0.00 0.56 -1.75 115.31 112.93 1run h LEU 105 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1run h LEU 105 Cb 1.07 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.74 1run h LEU 105 CO 0.10 0.00 -0.44 0.40 -0.00 0.00 0.00 178.44 178.50 1run h ILE 106 N 0.00 0.03 0.00 1.22 1.08 -0.90 -3.25 117.51 115.69 1run h ILE 106 Ca 0.10 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 1run h ILE 106 Cb 0.44 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1run h ILE 106 CO -0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 1run n GLN 107 N -5.60 0.87 0.00 2.37 6.02 -0.66 -3.04 117.38 117.35 1run n GLN 107 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1run n GLN 107 Cb 0.49 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.68 1run n GLN 107 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1run n VAL 108 N 1.02 0.00 -3.70 5.09 0.24 -1.23 -5.00 118.33 114.75 1run n VAL 108 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1run n VAL 108 Cb 0.44 -0.73 -0.14 0.00 -1.47 0.00 0.00 33.84 31.94 1run n VAL 108 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1run s ASN 109 N -4.79 3.87 0.00 -1.34 3.84 -1.17 -5.03 114.94 110.32 1run s ASN 109 Ca 0.00 -1.81 0.00 0.00 0.21 0.00 0.00 52.86 51.26 1run s ASN 109 Cb 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 41.25 39.87 1run s ASN 109 CO 0.00 -0.39 0.52 -2.65 -2.79 0.00 0.00 177.10 171.79 1run n PRO 110 N 4.61 0.89 -0.02 0.43 -0.02 -1.22 -3.90 135.00 135.79 1run n PRO 110 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.33 1run n PRO 110 Cb 0.40 -1.39 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 1run n PRO 110 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1run h ASP 111 N 0.12 0.32 -0.85 2.55 3.58 -1.92 -3.26 116.42 116.96 1run h ASP 111 Ca 0.00 -0.76 0.20 0.00 0.42 0.00 0.00 57.03 56.90 1run h ASP 111 Cb 0.52 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.41 1run h ASP 111 CO 0.00 1.04 0.58 0.16 -2.88 0.00 0.00 179.24 178.14 1run h ILE 112 N -0.36 0.67 -0.02 2.25 -0.00 -1.93 0.07 117.51 118.19 1run h ILE 112 Ca -0.04 -0.10 -0.00 0.00 -0.00 0.00 0.00 64.86 64.72 1run h ILE 112 Cb 1.08 0.35 -0.00 0.00 -0.00 0.00 0.00 36.82 38.25 1run h ILE 112 CO 0.07 0.05 0.01 0.25 -0.00 0.00 0.00 178.15 178.54 1run h LEU 113 N 0.30 0.03 -0.39 0.16 5.85 -1.84 -2.56 115.31 116.86 1run h LEU 113 Ca 0.43 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.17 1run h LEU 113 Cb 1.22 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1run h LEU 113 CO -0.13 0.08 -0.24 0.24 -0.34 0.00 0.00 178.44 178.06 1run h MET 114 N -0.03 -0.17 -0.17 1.25 2.86 -1.07 0.13 114.93 117.74 1run h MET 114 Ca 0.01 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1run h MET 114 Cb 0.06 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1run h MET 114 CO -0.00 -0.11 0.27 0.00 1.06 0.00 0.00 176.91 178.13 1run h ARG 115 N -0.18 0.00 0.00 1.72 3.08 -1.06 0.14 114.38 118.09 1run h ARG 115 Ca 0.19 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 1run h ARG 115 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1run h ARG 115 CO -0.49 0.00 -0.79 1.25 -1.07 0.00 0.00 179.97 178.87 1run h LEU 116 N 0.00 0.00 -1.71 3.04 6.46 -0.57 -3.01 115.31 119.51 1run h LEU 116 Ca 0.08 -0.48 0.28 0.00 -0.12 0.00 0.00 57.88 57.64 1run h LEU 116 Cb 0.63 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 1run h LEU 116 CO -0.00 1.19 0.70 0.28 -0.62 0.00 0.00 178.44 179.99 1run h SER 117 N -1.00 0.21 0.57 1.25 0.02 0.54 0.86 113.55 115.99 1run h SER 117 Ca -0.19 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.56 1run h SER 117 Cb 1.01 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1run h SER 117 CO -0.12 0.05 -1.00 0.00 -1.14 0.00 0.00 176.83 174.62 1run h ALA 118 N 1.55 0.35 -0.41 3.77 0.00 -0.97 -1.71 119.26 121.83 1run h ALA 118 Ca 0.52 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1run h ALA 118 Cb 1.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1run h ALA 118 CO -0.13 0.93 -0.06 1.96 0.00 0.00 0.00 179.25 181.96 1run h GLN 119 N 0.12 0.69 0.29 0.00 1.08 0.66 -2.93 115.11 115.02 1run h GLN 119 Ca -0.08 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1run h GLN 119 Cb 1.67 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.03 1run h GLN 119 CO 0.16 0.74 -0.14 0.52 -0.95 0.00 0.00 178.83 179.16 1run h MET 120 N 0.64 -0.38 -1.06 1.46 2.86 -0.31 -2.92 114.93 115.21 1run h MET 120 Ca 0.12 0.03 0.32 0.00 -2.06 0.00 0.00 59.70 58.10 1run h MET 120 Cb 0.48 0.09 -0.13 0.00 0.06 0.00 0.00 31.60 32.10 1run h MET 120 CO 0.02 -0.25 0.64 0.00 1.06 0.00 0.00 176.91 178.39 1run h ALA 121 N -1.53 2.12 -0.42 6.32 0.00 -1.35 1.31 119.26 125.71 1run h ALA 121 Ca -0.04 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1run h ALA 121 Cb 0.30 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1run h ALA 121 CO 0.07 -0.67 -0.13 -0.09 0.00 0.00 0.00 179.25 178.43 1run h ARG 122 N 0.34 0.76 0.00 0.00 9.65 -1.60 -2.01 114.38 121.53 1run h ARG 122 Ca 0.71 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 59.32 1run h ARG 122 Cb 1.72 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.24 1run h ARG 122 CO -0.49 0.86 -0.00 0.00 2.80 0.00 0.00 179.97 183.14 1run h ARG 123 N 0.69 -0.01 -0.84 0.20 3.08 0.18 -2.09 114.38 115.58 1run h ARG 123 Ca 0.11 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.34 1run h ARG 123 Cb 0.61 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.55 1run h ARG 123 CO 0.04 0.42 0.37 1.25 -1.07 0.00 0.00 179.97 180.97 1run h LEU 124 N -0.43 0.34 0.39 3.04 6.46 -0.80 -0.18 115.31 124.12 1run h LEU 124 Ca -0.00 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1run h LEU 124 Cb 0.43 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1run h LEU 124 CO 0.00 0.08 -0.21 -0.61 -0.62 0.00 0.00 178.44 177.08 1run h GLN 125 N 0.46 -0.53 0.00 1.25 4.15 -1.38 -1.37 115.11 117.68 1run h GLN 125 Ca 0.49 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.95 1run h GLN 125 Cb 0.83 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 1run h GLN 125 CO -0.46 -0.35 -0.00 -0.39 -1.93 0.00 0.00 178.83 175.70 1run h VAL 126 N -0.55 0.55 0.13 2.39 -1.51 -0.60 -1.60 116.25 115.07 1run h VAL 126 Ca -0.05 -0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.16 1run h VAL 126 Cb 0.43 1.00 0.03 0.00 -2.13 0.00 0.00 31.29 30.62 1run h VAL 126 CO 0.07 0.00 -1.06 0.74 -1.23 0.00 0.00 177.57 176.09 1run h THR 127 N 0.00 1.37 -0.12 7.19 2.02 -0.92 -2.57 112.91 119.87 1run h THR 127 Ca -0.00 -2.46 0.04 0.00 0.77 0.00 0.00 66.41 64.75 1run h THR 127 Cb 0.00 2.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1run h THR 127 CO 0.00 0.73 0.11 0.28 0.37 0.00 0.00 175.52 177.00 1run h SER 128 N 0.01 0.00 -0.13 4.18 0.02 -0.26 0.68 113.55 118.04 1run h SER 128 Ca -0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1run h SER 128 Cb 1.79 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 1run h SER 128 CO 0.20 0.00 -0.07 -0.08 -1.14 0.00 0.00 176.83 175.75 1run h GLU 129 N 0.00 0.28 -0.54 3.45 4.81 -1.38 -3.07 114.58 118.14 1run h GLU 129 Ca 0.06 -0.12 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1run h GLU 129 Cb 0.27 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1run h GLU 129 CO -0.00 0.61 0.09 -0.22 -0.73 0.00 0.00 179.01 178.77 1run h LYS 130 N -0.06 0.22 -0.80 1.92 3.64 0.75 0.26 116.57 122.51 1run h LYS 130 Ca 0.03 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1run h LYS 130 Cb 0.53 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.19 1run h LYS 130 CO 0.02 0.14 -0.57 0.28 -2.27 0.00 0.00 179.45 177.05 1run h VAL 131 N 0.23 0.00 -0.65 2.00 2.07 -1.28 -2.71 116.25 115.90 1run h VAL 131 Ca 0.27 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 1run h VAL 131 Cb 0.39 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1run h VAL 131 CO -0.37 0.00 0.34 1.23 0.02 0.00 0.00 177.57 178.79 1run h GLY 132 N -0.14 0.99 1.68 2.17 0.00 -0.45 -1.51 103.07 105.81 1run h GLY 132 Ca 0.14 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.03 1run h GLY 132 CO -0.82 0.44 0.14 3.43 0.00 0.00 0.00 176.54 179.73 1run h ASN 133 N 0.89 0.00 0.31 0.19 4.21 -0.91 -1.12 115.58 119.16 1run h ASN 133 Ca 0.23 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.41 1run h ASN 133 Cb 0.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1run h ASN 133 CO -0.03 0.00 -1.65 -0.07 -1.29 0.00 0.00 177.43 174.38 1run h LEU 134 N 0.00 0.52 0.00 1.61 3.38 -0.97 -3.08 115.31 116.77 1run h LEU 134 Ca 0.04 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1run h LEU 134 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1run h LEU 134 CO -0.00 1.63 -0.15 0.00 0.09 0.00 0.00 178.44 180.01 1run n ALA 135 N -2.77 2.57 0.00 1.53 0.00 -1.03 -4.41 120.51 116.40 1run n ALA 135 Ca -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1run n ALA 135 Cb 1.06 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1run n ALA 135 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1run n PHE 136 N -1.79 0.00 -4.22 0.00 3.72 -0.45 -5.09 117.46 109.64 1run n PHE 136 Ca 0.06 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.20 1run n PHE 136 Cb 0.38 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.84 1run n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1run s LEU 137 N -2.07 3.29 1.18 4.37 1.02 -1.16 -5.06 118.68 120.25 1run s LEU 137 Ca 0.00 -0.43 -0.17 0.00 0.02 0.00 0.00 54.13 53.55 1run s LEU 137 Cb 0.00 -1.93 0.28 0.00 0.02 0.00 0.00 46.19 44.56 1run s LEU 137 CO 0.00 0.07 1.06 -1.81 0.02 0.00 0.00 176.35 175.69 1run s ASP 138 N -3.06 1.01 0.07 2.29 1.11 -1.26 -4.82 116.67 112.01 1run s ASP 138 Ca 0.28 0.96 -0.18 0.00 0.18 0.00 0.00 52.55 53.79 1run s ASP 138 Cb -0.09 -1.44 -0.12 0.00 1.07 0.00 0.00 42.92 42.35 1run s ASP 138 CO 0.19 -4.11 1.38 0.58 1.18 0.00 0.00 175.17 174.39 1run h VAL 139 N -2.56 1.33 -0.84 -1.27 2.07 -1.98 -1.57 116.25 111.42 1run h VAL 139 Ca -0.51 -1.38 0.11 0.00 0.82 0.00 0.00 66.70 65.74 1run h VAL 139 Cb 1.32 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.76 1run h VAL 139 CO 0.43 0.42 0.48 0.74 0.02 0.00 0.00 177.57 179.66 1run h THR 140 N 0.20 0.87 -0.04 2.57 2.02 -1.98 0.26 112.91 116.82 1run h THR 140 Ca 0.03 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1run h THR 140 Cb 0.77 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1run h THR 140 CO 0.05 0.14 -0.06 1.23 0.37 0.00 0.00 175.52 177.26 1run h GLY 141 N 0.77 -0.02 0.98 2.16 0.00 -1.79 0.14 103.07 105.31 1run h GLY 141 Ca 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.78 1run h GLY 141 CO -0.27 -0.07 -0.36 3.21 0.00 0.00 0.00 176.54 179.05 1run h ARG 142 N -0.08 -0.97 -1.00 4.80 3.08 -0.05 -1.04 114.38 119.12 1run h ARG 142 Ca 0.04 0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.33 1run h ARG 142 Cb 0.13 0.22 -0.10 0.00 0.08 0.00 0.00 29.97 30.30 1run h ARG 142 CO -0.09 -0.64 0.62 0.82 -1.07 0.00 0.00 179.97 179.61 1run h ILE 143 N -1.05 0.74 0.80 2.04 2.04 -0.34 -0.66 117.51 121.09 1run h ILE 143 Ca -0.10 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1run h ILE 143 Cb 0.78 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1run h ILE 143 CO 0.17 0.14 -0.46 0.00 0.00 0.00 0.00 178.15 178.01 1run h ALA 144 N 1.62 -1.28 0.00 1.87 0.00 -0.13 0.16 119.26 121.51 1run h ALA 144 Ca 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1run h ALA 144 Cb 0.84 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1run h ALA 144 CO -0.35 -1.22 -0.04 0.37 0.00 0.00 0.00 179.25 178.01 1run h GLN 145 N -1.17 0.00 -0.43 0.00 4.15 -0.74 -0.12 115.11 116.80 1run h GLN 145 Ca -0.11 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 1run h GLN 145 Cb 0.92 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 1run h GLN 145 CO 0.13 0.04 -0.16 1.15 -1.93 0.00 0.00 178.83 178.07 1run h THR 146 N 0.00 1.26 0.00 2.39 2.02 -0.11 0.15 112.91 118.62 1run h THR 146 Ca -0.00 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 1run h THR 146 Cb 0.43 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1run h THR 146 CO 0.01 0.43 -0.16 -0.07 0.37 0.00 0.00 175.52 176.09 1run h LEU 147 N 0.72 0.00 0.10 2.58 3.38 0.12 -1.39 115.31 120.82 1run h LEU 147 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1run h LEU 147 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1run h LEU 147 CO 0.05 0.16 -0.05 0.25 0.09 0.00 0.00 178.44 178.94 1run h LEU 148 N 0.00 -0.11 -1.42 1.67 5.85 -0.73 -3.34 115.31 117.23 1run h LEU 148 Ca -0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.99 1run h LEU 148 Cb 0.57 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 1run h LEU 148 CO 0.02 0.11 0.67 0.78 -0.34 0.00 0.00 178.44 179.69 1run h ASN 149 N -0.51 0.41 0.17 1.25 4.21 -0.76 0.54 115.58 120.89 1run h ASN 149 Ca -0.01 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1run h ASN 149 Cb 0.10 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1run h ASN 149 CO 0.02 0.09 0.00 0.18 -1.29 0.00 0.00 177.43 176.43 1run n LEU 150 N -4.59 0.00 0.01 1.61 4.32 -0.53 -0.76 117.00 117.06 1run n LEU 150 Ca 0.25 0.30 0.11 0.00 -0.02 0.00 0.00 56.01 56.64 1run n LEU 150 Cb 0.88 -0.30 -0.14 0.00 -1.62 0.00 0.00 43.42 42.25 1run n LEU 150 CO 0.27 -0.21 -0.58 0.00 -1.22 0.00 0.00 177.39 175.65 1run n ALA 151 N -1.30 2.89 -1.91 -1.18 0.00 0.19 -4.37 120.51 114.83 1run n ALA 151 Ca 0.04 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.60 1run n ALA 151 Cb 0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1run n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1run n LYS 152 N -2.27 4.20 -3.70 0.00 4.76 0.06 -4.92 118.16 116.28 1run n LYS 152 Ca -0.03 -3.20 -0.15 0.00 -2.87 0.00 0.00 58.31 52.06 1run n LYS 152 Cb 0.55 -2.74 -0.15 0.00 -1.84 0.00 0.00 35.03 30.85 1run n LYS 152 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1run s GLN 153 N -0.09 0.07 -1.01 1.97 2.00 -1.26 -5.04 119.66 116.30 1run s GLN 153 Ca 0.54 0.49 -0.25 0.00 -2.00 0.00 0.00 55.36 54.14 1run s GLN 153 Cb 0.17 -0.22 -0.14 0.00 0.80 0.00 0.00 33.01 33.62 1run s GLN 153 CO -0.07 -0.24 2.12 -1.25 -0.50 0.00 0.00 175.29 175.34 1run s PRO 154 N 1.78 1.82 0.00 1.67 0.04 -1.26 -1.80 135.00 137.26 1run s PRO 154 Ca -0.03 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1run s PRO 154 Cb -0.12 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1run s PRO 154 CO -0.06 -4.53 0.00 -0.40 0.04 0.00 0.00 177.00 172.05 1run n ASP 155 N 17.22 0.00 -4.83 6.66 5.75 -1.26 -5.11 116.55 134.98 1run n ASP 155 Ca 0.43 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.84 1run n ASP 155 Cb 0.46 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.49 1run n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1run s ALA 156 N 0.00 3.70 -0.19 2.12 0.00 -0.74 -4.93 121.76 121.72 1run s ALA 156 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 1run s ALA 156 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1run s ALA 156 CO 0.00 0.44 0.07 0.00 0.00 0.00 0.00 175.76 176.26 1run s MET 157 N -0.85 3.97 -1.00 0.00 0.23 -1.08 -4.95 119.30 115.62 1run s MET 157 Ca 0.22 -0.35 -0.26 0.00 -1.03 0.00 0.00 55.69 54.28 1run s MET 157 Cb -0.16 -3.23 -0.20 0.00 -1.53 0.00 0.00 34.83 29.71 1run s MET 157 CO 0.11 0.25 2.00 0.25 -2.03 0.00 0.00 175.02 175.60 1run n THR 158 N 3.62 0.70 -0.60 3.16 -2.24 -1.26 -1.21 114.28 116.45 1run n THR 158 Ca -0.16 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.60 1run n THR 158 Cb 0.52 -2.07 0.20 0.00 -2.10 0.00 0.00 70.33 66.89 1run n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1run n HIS 159 N 16.62 -0.63 -0.06 4.78 1.44 0.11 -4.74 115.22 132.73 1run n HIS 159 Ca 0.43 0.10 0.01 0.00 -2.01 0.00 0.00 57.72 56.25 1run n HIS 159 Cb 0.46 -1.79 0.02 0.00 0.12 0.00 0.00 29.99 28.80 1run n HIS 159 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1run n PRO 160 N -4.01 -0.02 -3.29 -1.40 -0.02 -1.26 -1.88 135.00 123.13 1run n PRO 160 Ca 0.06 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.70 1run n PRO 160 Cb 0.54 -0.36 -0.05 0.00 -0.02 0.00 0.00 33.50 33.61 1run n PRO 160 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1run s ASP 161 N -5.05 0.03 0.00 2.55 -1.08 -1.26 -5.13 116.67 106.73 1run s ASP 161 Ca -0.02 -0.75 0.00 0.00 -0.52 0.00 0.00 52.55 51.26 1run s ASP 161 Cb 0.04 1.21 0.00 0.00 -1.46 0.00 0.00 42.92 42.71 1run s ASP 161 CO 0.12 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 176.13 1run n GLY 162 N 4.86 0.65 3.57 2.66 0.00 -0.79 -4.85 105.19 111.29 1run n GLY 162 Ca 0.06 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 1run n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1run s MET 163 N -1.00 3.85 -0.38 1.61 -1.94 -0.81 0.08 119.30 120.71 1run s MET 163 Ca 0.00 -0.41 -0.06 0.00 -1.71 0.00 0.00 55.69 53.51 1run s MET 163 Cb 0.00 -3.12 0.08 0.00 2.01 0.00 0.00 34.83 33.79 1run s MET 163 CO 0.00 0.23 0.18 -1.14 -0.01 0.00 0.00 175.02 174.28 1run s GLN 164 N 0.47 2.43 0.14 2.03 0.74 -0.35 -1.72 119.66 123.40 1run s GLN 164 Ca 0.01 -1.47 0.06 0.00 0.05 0.00 0.00 55.36 54.01 1run s GLN 164 Cb -0.13 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 1run s GLN 164 CO 0.01 -0.88 0.02 0.96 -0.55 0.00 0.00 175.29 174.85 1run s ILE 165 N 1.33 3.95 -0.01 -2.34 -4.36 -1.15 -2.63 121.20 115.98 1run s ILE 165 Ca 0.02 -1.21 0.04 0.00 -0.26 0.00 0.00 60.65 59.23 1run s ILE 165 Cb -0.22 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 1run s ILE 165 CO 0.00 -0.03 -0.10 -0.54 0.24 0.00 0.00 174.94 174.52 1run s LYS 166 N -2.74 2.49 0.00 0.37 1.02 -1.26 -0.52 119.74 119.10 1run s LYS 166 Ca 0.27 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1run s LYS 166 Cb -0.10 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1run s LYS 166 CO 0.19 0.60 0.00 1.51 -0.92 0.00 0.00 175.35 176.74 1run n ILE 167 N 1.76 0.00 -2.49 2.17 3.06 -1.24 -4.93 119.36 117.68 1run n ILE 167 Ca -0.16 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 59.83 1run n ILE 167 Cb 0.52 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.73 1run n ILE 167 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1run s THR 168 N -0.59 3.64 0.21 9.51 -4.23 -1.26 -4.76 115.64 118.15 1run s THR 168 Ca 0.00 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.31 1run s THR 168 Cb 0.00 -3.43 0.16 0.00 1.34 0.00 0.00 72.50 70.57 1run s THR 168 CO 0.00 -0.42 1.86 0.03 -0.54 0.00 0.00 174.62 175.55 1run h ARG 169 N -0.09 0.90 -0.39 3.99 3.08 -1.94 0.12 114.38 120.05 1run h ARG 169 Ca -0.45 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.51 1run h ARG 169 Cb 1.26 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1run h ARG 169 CO 0.60 0.60 0.09 1.96 -1.07 0.00 0.00 179.97 182.14 1run h GLN 170 N 0.93 0.58 -0.01 0.04 4.20 -1.96 0.96 115.11 119.85 1run h GLN 170 Ca 0.29 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1run h GLN 170 Cb -0.00 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1run h GLN 170 CO -0.10 0.54 0.00 0.93 -0.67 0.00 0.00 178.83 179.53 1run h GLU 171 N 0.57 0.02 -0.64 1.46 4.39 -1.26 0.27 114.58 119.38 1run h GLU 171 Ca 0.13 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 1run h GLU 171 Cb 0.23 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1run h GLU 171 CO -0.00 0.16 0.26 0.82 -1.16 0.00 0.00 179.01 179.09 1run h ILE 172 N -0.13 1.23 -0.66 3.13 2.04 -0.64 -2.88 117.51 119.60 1run h ILE 172 Ca 0.00 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.27 1run h ILE 172 Cb 0.15 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 1run h ILE 172 CO -0.00 0.29 0.13 1.23 0.00 0.00 0.00 178.15 179.80 1run h GLY 173 N 0.90 0.86 1.45 5.37 0.00 -0.22 -0.07 103.07 111.36 1run h GLY 173 Ca 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1run h GLY 173 CO -0.02 -0.16 0.05 1.46 0.00 0.00 0.00 176.54 177.87 1run h GLN 174 N 0.25 0.69 -0.13 4.80 4.20 -0.76 0.12 115.11 124.28 1run h GLN 174 Ca 0.36 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 1run h GLN 174 Cb 0.57 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1run h GLN 174 CO -0.46 0.67 -0.37 0.82 -0.67 0.00 0.00 178.83 178.82 1run h ILE 175 N 0.66 1.37 -0.10 2.54 2.04 -1.08 -2.71 117.51 120.23 1run h ILE 175 Ca 0.14 -1.66 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 1run h ILE 175 Cb 0.34 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1run h ILE 175 CO 0.01 0.50 -0.23 0.58 0.00 0.00 0.00 178.15 179.01 1run h VAL 176 N 0.09 1.40 -0.01 1.67 2.07 -1.01 -3.45 116.25 117.00 1run h VAL 176 Ca -0.01 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1run h VAL 176 Cb 0.99 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1run h VAL 176 CO 0.08 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.72 1run n GLY 177 N 0.48 1.64 3.59 2.17 0.00 0.39 -5.02 105.19 108.44 1run n GLY 177 Ca -0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1run n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1run s SER 179 N -3.67 6.33 0.07 0.00 1.04 -1.26 -4.56 113.70 111.64 1run s SER 179 Ca 0.30 1.56 -0.27 0.00 0.48 0.00 0.00 55.95 58.02 1run s SER 179 Cb 0.08 -2.50 -0.17 0.00 0.10 0.00 0.00 66.02 63.53 1run s SER 179 CO 0.15 -0.79 1.65 0.08 0.98 0.00 0.00 173.24 175.31 1run h ARG 180 N 0.39 -0.32 -0.73 4.02 0.11 -1.91 -1.99 114.38 113.94 1run h ARG 180 Ca -0.46 0.02 0.12 0.00 0.10 0.00 0.00 59.98 59.76 1run h ARG 180 Cb 1.19 0.07 -0.05 0.00 1.11 0.00 0.00 29.97 32.30 1run h ARG 180 CO 0.61 -0.18 0.48 1.05 0.10 0.00 0.00 179.97 182.03 1run h GLU 181 N -0.37 0.51 0.29 0.08 4.11 -1.93 -1.28 114.58 115.98 1run h GLU 181 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1run h GLU 181 Cb 0.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1run h GLU 181 CO 0.06 0.34 -0.14 1.15 0.07 0.00 0.00 179.01 180.48 1run h THR 182 N 0.52 0.71 -0.98 -1.06 2.02 -1.89 -2.16 112.91 110.07 1run h THR 182 Ca 0.35 -0.64 0.16 0.00 0.77 0.00 0.00 66.41 67.05 1run h THR 182 Cb 0.64 1.04 -0.16 0.00 -1.74 0.00 0.00 68.15 67.92 1run h THR 182 CO -0.12 0.12 -0.36 0.52 0.37 0.00 0.00 175.52 176.05 1run n VAL 183 N -5.11 -0.50 0.30 3.16 0.31 -0.52 0.11 118.33 116.08 1run n VAL 183 Ca -0.09 2.30 -0.16 0.00 -0.01 0.00 0.00 64.34 66.38 1run n VAL 183 Cb 0.26 -3.06 -0.08 0.00 -0.91 0.00 0.00 33.84 30.05 1run n VAL 183 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1run h GLY 184 N 0.00 -0.80 -0.32 2.92 0.00 -1.53 0.22 103.07 103.56 1run h GLY 184 Ca 0.36 0.30 0.26 0.00 0.00 0.00 0.00 47.33 48.25 1run h GLY 184 CO -0.98 -0.29 0.90 3.21 0.00 0.00 0.00 176.54 179.38 1run h ARG 185 N -0.96 0.00 0.00 4.80 3.08 0.36 -2.72 114.38 118.95 1run h ARG 185 Ca -0.08 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.55 1run h ARG 185 Cb 0.65 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.63 1run h ARG 185 CO 0.13 0.00 -2.41 -0.89 -1.07 0.00 0.00 179.97 175.73 1run n ILE 186 N -3.60 1.53 0.07 2.04 5.41 0.98 -4.49 119.36 121.30 1run n ILE 186 Ca 0.20 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1run n ILE 186 Cb 1.20 -1.77 0.31 0.00 -0.71 0.00 0.00 39.64 38.67 1run n ILE 186 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1run h LEU 187 N -0.71 0.33 -0.36 1.39 -0.00 -0.62 0.76 115.31 116.09 1run h LEU 187 Ca -0.64 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.16 1run h LEU 187 Cb 1.68 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.25 1run h LEU 187 CO -0.31 0.52 0.00 1.17 -0.00 0.00 0.00 178.44 179.82 1run n LYS 188 N -4.21 0.09 0.13 0.17 0.00 -1.19 0.51 118.16 113.65 1run n LYS 188 Ca -0.00 0.36 0.04 0.00 0.00 0.00 0.00 58.31 58.71 1run n LYS 188 Cb 0.32 -1.68 0.02 0.00 0.00 0.00 0.00 35.03 33.69 1run n LYS 188 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1run h MET 189 N 0.00 0.00 -0.97 1.64 4.05 -1.07 -3.03 114.93 115.56 1run h MET 189 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1run h MET 189 Cb 0.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1run h MET 189 CO 0.00 0.36 0.02 1.28 0.23 0.00 0.00 176.91 178.81 1run n LEU 190 N -3.11 2.16 -0.03 3.39 4.77 0.18 -2.25 117.00 122.11 1run n LEU 190 Ca 0.00 -1.09 -0.04 0.00 -0.03 0.00 0.00 56.01 54.84 1run n LEU 190 Cb 0.72 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1run n LEU 190 CO 0.40 0.38 -0.70 1.21 -1.33 0.00 0.00 177.39 177.35 1run n GLU 191 N 0.15 0.15 -0.00 3.23 2.13 -1.14 -0.33 120.64 124.83 1run n GLU 191 Ca 0.05 0.04 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 1run n GLU 191 Cb 0.45 -1.11 -0.09 0.00 0.27 0.00 0.00 31.44 30.96 1run n GLU 191 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1run h ASP 192 N -0.01 -0.01 -0.02 4.31 3.32 -1.64 -1.91 116.42 120.47 1run h ASP 192 Ca -0.14 -0.39 -0.69 0.00 0.02 0.00 0.00 57.03 55.84 1run h ASP 192 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1run h ASP 192 CO -0.02 0.39 3.55 1.67 -1.72 0.00 0.00 179.24 183.10 1run n GLN 193 N -4.91 3.37 -0.74 3.56 7.27 -0.95 -4.83 117.38 120.15 1run n GLN 193 Ca -0.08 -2.38 0.00 0.00 0.07 0.00 0.00 57.00 54.61 1run n GLN 193 Cb 0.21 -3.00 0.00 0.00 2.41 0.00 0.00 30.24 29.86 1run n GLN 193 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1run n ASN 194 N 4.59 -0.79 -0.03 1.69 2.85 -0.72 -4.50 115.26 118.36 1run n ASN 194 Ca 0.68 -0.42 -0.01 0.00 -0.11 0.00 0.00 54.58 54.72 1run n ASN 194 Cb 0.30 -0.03 -0.07 0.00 1.24 0.00 0.00 39.78 41.22 1run n ASN 194 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1run n LEU 195 N 2.63 0.00 -4.06 1.20 -0.00 0.19 -4.96 117.00 112.00 1run n LEU 195 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1run n LEU 195 Cb 0.20 0.12 -0.05 0.00 -0.00 0.00 0.00 43.42 43.69 1run n LEU 195 CO 0.20 0.12 0.12 0.27 -0.00 0.00 0.00 177.39 178.10 1run s ILE 196 N -2.38 0.00 -0.08 1.96 -4.36 0.55 -2.92 121.20 113.98 1run s ILE 196 Ca -0.04 -1.56 -0.08 0.00 -0.26 0.00 0.00 60.65 58.71 1run s ILE 196 Cb 0.04 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.30 1run s ILE 196 CO 0.35 0.00 0.23 -0.44 0.24 0.00 0.00 174.94 175.33 1run s SER 197 N -3.14 -0.23 0.32 4.36 0.01 -1.26 -4.20 113.70 109.57 1run s SER 197 Ca 0.28 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.99 1run s SER 197 Cb 0.00 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1run s SER 197 CO 0.15 -0.11 0.36 0.00 0.41 0.00 0.00 173.24 174.05 1run n ALA 198 N 2.80 0.18 0.00 1.44 0.00 -1.26 -1.23 120.51 122.44 1run n ALA 198 Ca -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1run n ALA 198 Cb 0.58 1.35 0.00 0.00 0.00 0.00 0.00 19.45 21.38 1run n ALA 198 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1run n HIS 199 N -0.57 0.00 0.00 0.00 -0.00 -1.26 -4.89 115.22 108.50 1run n HIS 199 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1run n HIS 199 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1run n HIS 199 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1run n GLY 200 N 0.00 2.04 3.79 1.57 0.00 -1.26 -4.90 105.19 106.43 1run n GLY 200 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1run n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1run s LYS 201 N 0.00 3.16 -0.54 1.61 -2.85 -1.26 -3.69 119.74 116.17 1run s LYS 201 Ca 0.00 1.33 0.04 0.00 -1.00 0.00 0.00 55.97 56.34 1run s LYS 201 Cb 0.00 -2.00 0.16 0.00 -2.06 0.00 0.00 37.83 33.93 1run s LYS 201 CO 0.00 -0.95 0.39 0.99 0.10 0.00 0.00 175.35 175.88 1run s THR 202 N -2.30 1.58 -1.34 3.79 2.01 0.32 -4.29 115.64 115.42 1run s THR 202 Ca 0.66 -3.32 -0.14 0.00 0.31 0.00 0.00 61.69 59.21 1run s THR 202 Cb -0.19 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1run s THR 202 CO 0.36 -1.09 2.35 0.00 -0.69 0.00 0.00 174.62 175.55 1run n ILE 203 N 2.59 3.30 -1.68 1.82 3.06 -0.36 -2.95 119.36 125.13 1run n ILE 203 Ca 0.22 -2.53 -0.46 0.00 -2.50 0.00 0.00 62.75 57.48 1run n ILE 203 Cb 0.40 -2.52 -0.04 0.00 0.54 0.00 0.00 39.64 38.02 1run n ILE 203 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1run n VAL 204 N 4.81 0.24 1.39 9.51 0.31 -0.70 -4.02 118.33 129.87 1run n VAL 204 Ca 0.57 -0.04 0.14 0.00 -0.01 0.00 0.00 64.34 65.00 1run n VAL 204 Cb 0.33 -1.76 0.43 0.00 -0.91 0.00 0.00 33.84 31.93 1run n VAL 204 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84