#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7k s PHE 5 N 0.00 -0.05 -0.29 -1.42 -0.71 -1.26 -5.04 117.98 109.22 1o7k s PHE 5 Ca 0.00 -0.01 -0.12 0.00 -1.04 0.00 0.00 56.93 55.76 1o7k s PHE 5 Cb 0.00 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 1o7k s PHE 5 CO 0.00 -0.19 0.24 0.42 -1.34 0.00 0.00 175.22 174.34 1o7k s ILE 6 N -2.32 5.28 0.03 -4.49 1.01 -1.26 -1.21 121.20 118.23 1o7k s ILE 6 Ca 0.13 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 1o7k s ILE 6 Cb 0.03 -3.59 -0.27 0.00 0.01 0.00 0.00 42.46 38.64 1o7k s ILE 6 CO -0.04 0.19 1.08 0.03 0.00 0.00 0.00 174.94 176.21 1o7k h ARG 7 N 8.35 0.54 -2.56 2.79 3.08 -1.23 -3.48 114.38 121.87 1o7k h ARG 7 Ca -0.34 -0.68 -0.10 0.00 0.07 0.00 0.00 59.98 58.94 1o7k h ARG 7 Cb 1.18 0.22 -0.23 0.00 0.08 0.00 0.00 29.97 31.22 1o7k h ARG 7 CO 0.58 1.28 -0.13 -1.58 -1.07 0.00 0.00 179.97 179.05 1o7k s HIS 8 N -3.01 -0.51 -0.09 3.04 5.04 -1.16 -5.03 115.29 113.56 1o7k s HIS 8 Ca -0.11 1.21 0.04 0.00 -1.54 0.00 0.00 55.06 54.66 1o7k s HIS 8 Cb 0.04 0.19 0.00 0.00 0.04 0.00 0.00 32.58 32.86 1o7k s HIS 8 CO 0.89 -0.29 -0.22 0.42 -2.34 0.00 0.00 174.74 173.19 1o7k s ILE 9 N 0.02 1.90 -0.09 0.89 1.01 -1.26 -1.03 121.20 122.64 1o7k s ILE 9 Ca -0.02 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1o7k s ILE 9 Cb -0.03 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1o7k s ILE 9 CO 0.02 0.53 -0.23 0.00 0.00 0.00 0.00 174.94 175.26 1o7k s ALA 10 N 0.32 2.05 -0.18 9.38 0.00 -0.57 -4.86 121.76 127.90 1o7k s ALA 10 Ca -0.16 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 50.63 1o7k s ALA 10 Cb -0.17 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1o7k s ALA 10 CO 0.07 0.28 0.88 -1.17 0.00 0.00 0.00 175.76 175.82 1o7k s LEU 11 N 0.32 4.16 -0.02 0.00 2.96 -1.26 -1.07 118.68 123.78 1o7k s LEU 11 Ca -0.17 1.22 0.22 0.00 -0.22 0.00 0.00 54.13 55.18 1o7k s LEU 11 Cb -0.17 -3.30 -0.30 0.00 0.50 0.00 0.00 46.19 42.92 1o7k s LEU 11 CO 0.08 -0.46 0.64 0.18 -1.32 0.00 0.00 176.35 175.47 1o7k n LEU 12 N 5.45 0.39 0.00 -0.68 4.32 -1.26 -4.99 117.00 120.24 1o7k n LEU 12 Ca 0.06 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1o7k n LEU 12 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1o7k n LEU 12 CO 0.49 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 1o7k n GLY 13 N 1.36 0.91 3.15 -0.72 0.00 -1.26 -5.09 105.19 103.54 1o7k n GLY 13 Ca -0.01 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 1o7k n GLY 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1o7k s PHE 14 N -2.40 0.82 0.06 1.61 -0.12 -1.26 -4.43 117.98 112.25 1o7k s PHE 14 Ca 0.00 -0.90 -0.07 0.00 -0.05 0.00 0.00 56.93 55.92 1o7k s PHE 14 Cb 0.00 -0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 41.89 1o7k s PHE 14 CO 0.00 -0.18 0.13 -1.21 -0.05 0.00 0.00 175.22 173.91 1o7k s GLU 15 N -3.64 0.70 -0.07 1.99 2.02 -0.50 -4.97 118.70 114.23 1o7k s GLU 15 Ca 0.09 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 53.93 1o7k s GLU 15 Cb 0.04 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 1o7k s GLU 15 CO -0.05 -0.19 0.94 0.15 0.02 0.00 0.00 175.26 176.13 1o7k s LYS 16 N -3.22 4.46 0.31 1.61 1.02 -1.26 -0.78 119.74 121.88 1o7k s LYS 16 Ca 0.00 1.30 0.08 0.00 0.02 0.00 0.00 55.97 57.37 1o7k s LYS 16 Cb 0.02 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1o7k s LYS 16 CO -0.07 -0.17 0.19 1.03 -0.92 0.00 0.00 175.35 175.40 1o7k s ARG 17 N 1.52 2.61 -0.05 1.68 1.81 -0.23 -4.95 118.95 121.35 1o7k s ARG 17 Ca 0.47 -1.33 0.07 0.00 -1.72 0.00 0.00 55.73 53.22 1o7k s ARG 17 Cb -0.19 -2.37 0.10 0.00 -0.45 0.00 0.00 34.95 32.04 1o7k s ARG 17 CO 0.21 0.21 1.00 1.19 -0.68 0.00 0.00 175.30 177.22 1o7k n PHE 18 N -1.20 0.00 -3.64 -0.53 3.01 -1.23 -1.32 117.46 112.54 1o7k n PHE 18 Ca -0.04 -0.39 -0.24 0.00 1.01 0.00 0.00 57.45 57.79 1o7k n PHE 18 Cb 0.60 -0.08 -0.17 0.00 -0.01 0.00 0.00 39.48 39.81 1o7k n PHE 18 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1o7k s VAL 19 N -1.09 -0.07 -0.65 -4.37 1.01 -1.26 -2.43 120.40 111.55 1o7k s VAL 19 Ca 0.11 0.07 0.22 0.00 0.00 0.00 0.00 61.98 62.39 1o7k s VAL 19 Cb 0.10 -0.41 0.22 0.00 0.00 0.00 0.00 36.38 36.29 1o7k s VAL 19 CO 0.01 -0.08 1.68 -0.81 0.00 0.00 0.00 175.10 175.90 1o7k n PRO 20 N 5.28 0.15 -2.03 2.72 -0.04 -1.26 -5.00 135.00 134.82 1o7k n PRO 20 Ca -0.05 0.34 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1o7k n PRO 20 Cb 0.49 -1.77 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1o7k n PRO 20 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1o7k n SER 21 N -2.05 -0.68 -4.66 3.54 3.41 -1.02 -5.13 113.62 107.04 1o7k n SER 21 Ca 0.03 -1.43 -0.42 0.00 -0.26 0.00 0.00 58.87 56.79 1o7k n SER 21 Cb 0.25 1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1o7k n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o7k s GLN 22 N -2.02 4.08 0.31 4.33 -2.07 -1.26 -3.54 119.66 119.49 1o7k s GLN 22 Ca 0.06 2.55 -0.09 0.00 -1.82 0.00 0.00 55.36 56.05 1o7k s GLN 22 Cb -0.01 -4.17 0.01 0.00 -1.09 0.00 0.00 33.01 27.75 1o7k s GLN 22 CO 0.03 -1.02 0.54 -3.38 -1.32 0.00 0.00 175.29 170.13 1o7k s HIS 23 N 4.69 0.58 0.00 9.60 -3.43 -0.44 -4.99 115.29 121.30 1o7k s HIS 23 Ca 0.88 -0.95 -0.03 0.00 -0.80 0.00 0.00 55.06 54.16 1o7k s HIS 23 Cb -0.41 0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 1o7k s HIS 23 CO 0.40 -1.16 0.20 0.71 -2.00 0.00 0.00 174.74 172.90 1o7k s TYR 24 N -3.34 3.55 0.02 0.38 1.51 -1.26 -1.07 117.35 117.13 1o7k s TYR 24 Ca 0.24 0.38 0.06 0.00 -1.01 0.00 0.00 57.07 56.74 1o7k s TYR 24 Cb -0.01 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1o7k s TYR 24 CO 0.14 0.63 -0.17 0.08 -1.11 0.00 0.00 175.55 175.12 1o7k s VAL 25 N -1.35 1.36 0.00 0.71 1.01 0.04 -4.46 120.40 117.72 1o7k s VAL 25 Ca 0.28 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1o7k s VAL 25 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1o7k s VAL 25 CO 0.19 0.23 0.00 -1.22 0.00 0.00 0.00 175.10 174.31 1o7k n TYR 26 N 2.24 -1.23 0.00 5.22 4.02 -0.04 -1.41 117.16 125.96 1o7k n TYR 26 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1o7k n TYR 26 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1o7k n TYR 26 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1o7k n PHE 28 N -0.41 0.00 -3.03 -0.72 3.01 0.38 -1.52 117.46 115.17 1o7k n PHE 28 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1o7k n PHE 28 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1o7k n PHE 28 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1o7k s LEU 29 N 0.00 4.33 -0.26 4.37 2.96 -0.23 -0.44 118.68 129.41 1o7k s LEU 29 Ca 0.00 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 1o7k s LEU 29 Cb 0.00 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1o7k s LEU 29 CO 0.00 -0.82 0.10 -0.69 -1.32 0.00 0.00 176.35 173.62 1o7k s VAL 30 N 3.05 4.53 -0.30 1.68 1.01 0.66 -1.51 120.40 129.52 1o7k s VAL 30 Ca 0.27 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1o7k s VAL 30 Cb -0.13 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1o7k s VAL 30 CO 0.20 0.32 0.16 -0.75 0.00 0.00 0.00 175.10 175.03 1o7k s LYS 31 N 1.65 3.56 0.67 2.72 2.20 -0.20 -1.55 119.74 128.79 1o7k s LYS 31 Ca 0.07 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1o7k s LYS 31 Cb -0.15 -3.59 0.14 0.00 -1.51 0.00 0.00 37.83 32.71 1o7k s LYS 31 CO 0.05 -0.33 0.92 0.91 -0.36 0.00 0.00 175.35 176.55 1o7k n TRP 32 N 5.01 -3.11 0.09 4.03 7.02 -0.61 -0.87 117.44 129.00 1o7k n TRP 32 Ca -0.14 -1.50 0.05 0.00 -1.02 0.00 0.00 57.50 54.88 1o7k n TRP 32 Cb 0.50 -0.68 0.47 0.00 -2.42 0.00 0.00 31.31 29.18 1o7k n TRP 32 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 1o7k h GLN 33 N 0.00 0.35 -0.71 -0.99 -0.00 -1.49 -1.39 115.11 110.87 1o7k h GLN 33 Ca -0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1o7k h GLN 33 Cb 1.08 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.49 1o7k h GLN 33 CO 0.31 0.28 0.00 -0.40 -0.00 0.00 0.00 178.83 179.02 1o7k n ASP 34 N -4.45 3.13 0.00 0.06 5.75 -1.26 -4.91 116.55 114.87 1o7k n ASP 34 Ca 0.01 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1o7k n ASP 34 Cb 0.11 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1o7k n ASP 34 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1o7k n LEU 35 N 0.36 0.59 -4.76 -2.12 4.77 -0.52 -4.98 117.00 110.34 1o7k n LEU 35 Ca 0.14 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.74 1o7k n LEU 35 Cb 0.65 -1.07 0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1o7k n LEU 35 CO 0.15 -0.36 0.91 -0.94 -1.33 0.00 0.00 177.39 175.82 1o7k s SER 36 N -2.32 5.78 -0.05 -1.43 1.04 -1.26 -4.77 113.70 110.69 1o7k s SER 36 Ca 0.00 2.55 0.05 0.00 0.48 0.00 0.00 55.95 59.02 1o7k s SER 36 Cb 0.00 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 1o7k s SER 36 CO 0.00 -1.20 -0.20 -1.61 0.98 0.00 0.00 173.24 171.21 1o7k s GLU 37 N -2.74 2.14 -0.01 4.02 2.02 -1.26 -1.57 118.70 121.29 1o7k s GLU 37 Ca 0.66 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.96 1o7k s GLU 37 Cb -0.35 -1.80 -0.00 0.00 0.10 0.00 0.00 34.13 32.08 1o7k s GLU 37 CO 0.42 0.26 -0.07 0.15 0.02 0.00 0.00 175.26 176.04 1o7k s LYS 38 N 0.05 0.64 -0.08 1.61 3.01 -0.59 -4.96 119.74 119.42 1o7k s LYS 38 Ca -0.06 -0.25 -0.22 0.00 -1.01 0.00 0.00 55.97 54.43 1o7k s LYS 38 Cb -0.13 -0.62 -0.04 0.00 -1.01 0.00 0.00 37.83 36.03 1o7k s LYS 38 CO 0.03 0.14 0.63 0.08 0.51 0.00 0.00 175.35 176.74 1o7k s VAL 39 N -0.05 5.09 0.24 3.17 1.01 -1.26 -0.24 120.40 128.36 1o7k s VAL 39 Ca 0.01 1.28 0.11 0.00 0.00 0.00 0.00 61.98 63.39 1o7k s VAL 39 Cb -0.04 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1o7k s VAL 39 CO -0.00 0.28 -0.20 0.68 0.00 0.00 0.00 175.10 175.86 1o7k s VAL 40 N 0.75 2.54 -0.20 2.92 -7.23 0.41 -4.94 120.40 114.64 1o7k s VAL 40 Ca 0.34 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1o7k s VAL 40 Cb -0.17 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.53 1o7k s VAL 40 CO 0.15 -0.27 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.26 1o7k s TYR 41 N -2.11 2.55 -0.03 2.82 1.51 -1.26 -0.47 117.35 120.36 1o7k s TYR 41 Ca 0.26 -1.69 0.01 0.00 -1.01 0.00 0.00 57.07 54.65 1o7k s TYR 41 Cb -0.06 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1o7k s TYR 41 CO 0.13 -0.77 -0.04 1.03 -1.11 0.00 0.00 175.55 174.80 1o7k s ARG 42 N 1.35 0.62 0.61 -0.62 1.81 -0.57 -4.90 118.95 117.23 1o7k s ARG 42 Ca -0.02 -0.08 -0.15 0.00 -1.72 0.00 0.00 55.73 53.76 1o7k s ARG 42 Cb -0.16 -0.66 -0.03 0.00 -0.45 0.00 0.00 34.95 33.65 1o7k s ARG 42 CO -0.08 -0.05 1.06 1.03 -0.68 0.00 0.00 175.30 176.58 1o7k s ARG 43 N 0.72 3.26 0.17 3.54 0.52 -1.26 -0.86 118.95 125.03 1o7k s ARG 43 Ca -0.09 1.20 -0.13 0.00 -0.52 0.00 0.00 55.73 56.19 1o7k s ARG 43 Cb -0.12 -2.02 0.08 0.00 0.52 0.00 0.00 34.95 33.40 1o7k s ARG 43 CO -0.00 -0.86 1.79 0.35 0.02 0.00 0.00 175.30 176.60 1o7k h PHE 44 N 0.33 0.79 -0.67 -0.53 3.57 -1.98 -0.93 116.94 117.52 1o7k h PHE 44 Ca -0.47 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.14 1o7k h PHE 44 Cb 1.22 -0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 1o7k h PHE 44 CO 0.59 0.57 0.22 1.15 -2.23 0.00 0.00 178.31 178.61 1o7k h THR 45 N 0.78 0.68 -0.64 4.41 2.02 -1.95 -0.56 112.91 117.65 1o7k h THR 45 Ca 0.20 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1o7k h THR 45 Cb 0.04 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1o7k h THR 45 CO -0.03 0.07 0.29 -0.33 0.37 0.00 0.00 175.52 175.88 1o7k h GLU 46 N 0.37 0.93 -0.82 6.66 5.08 -1.59 -1.00 114.58 124.21 1o7k h GLU 46 Ca 0.35 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1o7k h GLU 46 Cb 0.51 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1o7k h GLU 46 CO -0.38 0.76 0.38 0.82 -1.00 0.00 0.00 179.01 179.59 1o7k h ILE 47 N 0.88 1.26 -0.54 3.13 2.04 -0.90 -1.07 117.51 122.31 1o7k h ILE 47 Ca 0.22 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1o7k h ILE 47 Cb 0.15 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1o7k h ILE 47 CO -0.02 0.31 -0.04 0.22 0.00 0.00 0.00 178.15 178.62 1o7k h TYR 48 N 1.17 1.08 -0.65 1.37 3.20 -0.79 -0.76 116.97 121.58 1o7k h TYR 48 Ca 0.28 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1o7k h TYR 48 Cb 0.13 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1o7k h TYR 48 CO 0.01 1.00 0.23 0.93 -1.64 0.00 0.00 178.16 178.69 1o7k h GLU 49 N 0.86 1.00 -0.80 1.82 4.39 -0.93 -1.08 114.58 119.84 1o7k h GLU 49 Ca 0.15 -0.20 0.09 0.00 0.34 0.00 0.00 59.36 59.73 1o7k h GLU 49 Cb 0.59 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 1o7k h GLU 49 CO 0.04 0.86 0.45 0.35 -1.16 0.00 0.00 179.01 179.55 1o7k h PHE 50 N 0.94 0.83 -0.21 4.33 3.57 -0.80 -2.24 116.94 123.36 1o7k h PHE 50 Ca 0.21 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1o7k h PHE 50 Cb 0.26 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1o7k h PHE 50 CO 0.02 0.35 -0.14 1.25 -2.23 0.00 0.00 178.31 177.56 1o7k h HIS 51 N 0.78 0.54 -0.35 0.41 2.76 -0.49 -1.14 115.15 117.65 1o7k h HIS 51 Ca 0.38 -0.14 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1o7k h HIS 51 Cb 0.32 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 1o7k h HIS 51 CO -0.06 0.77 0.06 0.87 -1.30 0.00 0.00 177.93 178.27 1o7k h LYS 52 N 0.15 0.18 -0.53 5.26 1.57 -1.14 -1.92 116.57 120.14 1o7k h LYS 52 Ca 0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1o7k h LYS 52 Cb 0.65 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1o7k h LYS 52 CO 0.04 0.12 0.20 1.15 -0.57 0.00 0.00 179.45 180.38 1o7k h THR 53 N 0.18 1.22 -0.55 -0.16 2.02 -1.32 -2.35 112.91 111.96 1o7k h THR 53 Ca 0.17 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.68 1o7k h THR 53 Cb 0.19 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1o7k h THR 53 CO -0.22 0.27 0.30 0.25 0.37 0.00 0.00 175.52 176.48 1o7k h LEU 54 N 0.73 0.44 -0.54 2.58 5.85 -1.05 -2.40 115.31 120.92 1o7k h LEU 54 Ca 0.18 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1o7k h LEU 54 Cb 0.22 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1o7k h LEU 54 CO -0.01 0.30 0.26 0.11 -0.34 0.00 0.00 178.44 178.76 1o7k h LYS 55 N 0.57 0.48 -1.78 1.25 1.57 -1.06 -1.95 116.57 115.65 1o7k h LYS 55 Ca 0.24 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1o7k h LYS 55 Cb 0.12 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1o7k h LYS 55 CO -0.15 0.32 0.00 0.39 -0.57 0.00 0.00 179.45 179.44 1o7k n GLU 56 N -4.90 0.69 -0.12 3.15 1.02 -0.90 -2.98 120.64 116.59 1o7k n GLU 56 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1o7k n GLU 56 Cb 0.17 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1o7k n GLU 56 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1o7k n PHE 58 N 1.34 0.00 -0.21 -0.32 3.01 -0.74 -5.05 117.46 115.49 1o7k n PHE 58 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1o7k n PHE 58 Cb 0.34 -0.05 0.11 0.00 -0.01 0.00 0.00 39.48 39.88 1o7k n PHE 58 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1o7k h PRO 59 N 0.87 0.43 0.77 -1.08 0.11 -1.84 0.10 132.00 131.36 1o7k h PRO 59 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1o7k h PRO 59 Cb 0.06 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1o7k h PRO 59 CO 0.06 0.28 -0.50 0.82 -0.21 0.00 0.00 178.00 178.45 1o7k h ILE 60 N 0.44 0.01 0.00 4.15 2.04 -1.96 -0.86 117.51 121.34 1o7k h ILE 60 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 1o7k h ILE 60 Cb 0.38 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1o7k h ILE 60 CO -0.30 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 177.52 1o7k h GLU 61 N -1.19 0.00 0.00 2.37 3.07 -1.77 -2.24 114.58 114.82 1o7k h GLU 61 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1o7k h GLU 61 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1o7k h GLU 61 CO 0.09 0.00 -0.12 0.00 -1.40 0.00 0.00 179.01 177.58 1o7k n ALA 62 N -1.95 2.45 -0.55 3.43 0.00 0.33 -1.62 120.51 122.59 1o7k n ALA 62 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1o7k n ALA 62 Cb 0.23 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1o7k n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o7k n GLY 63 N 1.36 0.67 0.10 0.00 0.00 -0.84 -4.85 105.19 101.63 1o7k n GLY 63 Ca 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 1o7k n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o7k h ALA 64 N 0.00 0.60 0.00 4.61 0.00 -1.37 -3.16 119.26 119.95 1o7k h ALA 64 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1o7k h ALA 64 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1o7k h ALA 64 CO 0.00 0.96 -0.40 0.82 0.00 0.00 0.00 179.25 180.63 1o7k h ILE 65 N 0.00 0.15 -3.43 0.00 1.08 -1.84 -3.46 117.51 110.01 1o7k h ILE 65 Ca -0.01 -1.15 -0.56 0.00 -0.39 0.00 0.00 64.86 62.75 1o7k h ILE 65 Cb 1.48 0.32 -0.39 0.00 -3.07 0.00 0.00 36.82 35.15 1o7k h ILE 65 CO 0.10 0.05 -0.77 0.21 -0.69 0.00 0.00 178.15 177.05 1o7k s ASN 66 N -5.79 3.34 0.48 1.72 3.84 -1.26 -5.06 114.94 112.22 1o7k s ASN 66 Ca -0.12 -0.99 0.30 0.00 0.21 0.00 0.00 52.86 52.26 1o7k s ASN 66 Cb 0.02 -0.85 1.39 0.00 -0.55 0.00 0.00 41.25 41.25 1o7k s ASN 66 CO 0.20 -0.28 1.76 -0.65 -2.79 0.00 0.00 177.10 175.34 1o7k h PRO 67 N 8.11 0.14 0.00 0.43 0.11 -1.89 -1.87 132.00 137.05 1o7k h PRO 67 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1o7k h PRO 67 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1o7k h PRO 67 CO 0.37 0.10 0.00 0.93 -0.21 0.00 0.00 178.00 179.19 1o7k h GLU 68 N 0.15 0.00 -0.03 1.05 4.39 -1.97 -3.13 114.58 115.04 1o7k h GLU 68 Ca 0.62 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.32 1o7k h GLU 68 Cb 2.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1o7k h GLU 68 CO -0.16 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.78 1o7k n ASN 69 N -2.43 1.10 -4.75 1.42 4.13 -0.70 -4.94 115.26 109.07 1o7k n ASN 69 Ca 0.03 -1.41 -0.41 0.00 1.68 0.00 0.00 54.58 54.47 1o7k n ASN 69 Cb 0.33 -0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.53 1o7k n ASN 69 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1o7k s ARG 70 N -1.97 4.33 0.00 3.52 3.52 -1.18 -4.67 118.95 122.50 1o7k s ARG 70 Ca 0.39 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 58.19 1o7k s ARG 70 Cb 0.20 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1o7k s ARG 70 CO 0.32 -0.29 0.00 0.44 -0.81 0.00 0.00 175.30 174.96 1o7k n ILE 71 N 1.90 0.00 -2.13 4.11 -5.35 -0.64 -4.99 119.36 112.26 1o7k n ILE 71 Ca 0.04 -0.14 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 1o7k n ILE 71 Cb 0.41 0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 1o7k n ILE 71 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1o7k s ILE 72 N -0.81 3.18 0.76 7.28 1.01 -1.10 -4.96 121.20 126.56 1o7k s ILE 72 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 60.65 61.38 1o7k s ILE 72 Cb 0.00 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.98 1o7k s ILE 72 CO 0.00 0.07 1.13 -2.16 0.00 0.00 0.00 174.94 173.98 1o7k s PRO 73 N 1.02 2.15 0.21 2.79 0.04 -1.26 -4.98 135.00 134.97 1o7k s PRO 73 Ca 0.65 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 1o7k s PRO 73 Cb -0.38 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1o7k s PRO 73 CO 0.31 -1.76 0.69 -1.01 0.04 0.00 0.00 177.00 175.28 1o7k s HIS 74 N -2.55 3.64 -0.09 0.56 3.76 -1.26 -5.08 115.29 114.27 1o7k s HIS 74 Ca 0.66 1.33 -0.03 0.00 -0.15 0.00 0.00 55.06 56.87 1o7k s HIS 74 Cb -0.21 -2.57 0.04 0.00 1.11 0.00 0.00 32.58 30.95 1o7k s HIS 74 CO 0.51 0.35 0.10 -1.17 -0.85 0.00 0.00 174.74 173.68 1o7k s LEU 75 N -1.98 0.10 0.41 0.89 2.96 -1.26 -4.87 118.68 114.94 1o7k s LEU 75 Ca 0.42 0.00 -0.26 0.00 -0.22 0.00 0.00 54.13 54.08 1o7k s LEU 75 Cb -0.16 -0.01 -0.09 0.00 0.50 0.00 0.00 46.19 46.43 1o7k s LEU 75 CO 0.21 -0.27 1.33 -2.84 -1.32 0.00 0.00 176.35 173.45 1o7k s PRO 76 N 2.21 3.91 0.77 0.98 0.02 -1.26 -4.98 135.00 136.65 1o7k s PRO 76 Ca 0.04 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.12 1o7k s PRO 76 Cb -0.13 -2.74 0.06 0.00 0.02 0.00 0.00 34.50 31.72 1o7k s PRO 76 CO -0.05 -0.56 1.21 0.00 -0.33 0.00 0.00 177.00 177.27 1o7k s ALA 77 N -1.25 1.98 0.30 -1.55 0.00 -1.26 -4.91 121.76 115.07 1o7k s ALA 77 Ca 0.58 0.87 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1o7k s ALA 77 Cb -0.39 -3.48 0.78 0.00 0.00 0.00 0.00 23.12 20.03 1o7k s ALA 77 CO 0.50 -2.10 1.73 -1.35 0.00 0.00 0.00 175.76 174.54 1o7k h PRO 78 N -0.60 0.54 -0.13 0.00 0.11 -1.94 -1.77 132.00 128.19 1o7k h PRO 78 Ca -0.47 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.65 1o7k h PRO 78 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1o7k h PRO 78 CO 0.48 0.35 0.24 1.57 -0.21 0.00 0.00 178.00 180.44 1o7k h LYS 79 N 0.55 0.00 0.00 1.05 2.10 -2.04 -1.44 116.57 116.80 1o7k h LYS 79 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 1o7k h LYS 79 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1o7k h LYS 79 CO -0.47 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 177.89 1o7k n TRP 80 N -3.41 0.00 -3.97 0.07 7.02 -0.67 -4.61 117.44 111.87 1o7k n TRP 80 Ca 0.01 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 1o7k n TRP 80 Cb 0.34 -0.42 -0.14 0.00 -2.42 0.00 0.00 31.31 28.68 1o7k n TRP 80 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1o7k s PHE 81 N -2.83 3.40 0.20 -5.99 0.40 -0.54 -5.08 117.98 107.53 1o7k s PHE 81 Ca 0.16 -2.31 0.01 0.00 -0.60 0.00 0.00 56.93 54.19 1o7k s PHE 81 Cb 0.16 -2.34 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 1o7k s PHE 81 CO 0.41 -0.88 0.24 -0.40 0.70 0.00 0.00 175.22 175.29 1o7k n ASP 82 N 4.48 -0.64 0.00 1.36 5.68 -1.26 -4.93 116.55 121.24 1o7k n ASP 82 Ca -0.09 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 1o7k n ASP 82 Cb 0.42 1.28 0.00 0.00 -1.14 0.00 0.00 41.12 41.69 1o7k n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o7k n GLY 83 N -0.35 -3.33 0.28 6.12 0.00 -1.26 -4.13 105.19 102.52 1o7k n GLY 83 Ca 0.02 -1.88 0.16 0.00 0.00 0.00 0.00 46.02 44.33 1o7k n GLY 83 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1o7k h GLN 84 N 0.00 0.00 -0.33 1.61 4.20 -2.07 -3.05 115.11 115.47 1o7k h GLN 84 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1o7k h GLN 84 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1o7k h GLN 84 CO 0.00 0.06 0.02 0.54 -0.67 0.00 0.00 178.83 178.78 1o7k n ARG 85 N -3.28 2.95 -0.29 1.46 1.74 -1.26 -4.71 116.66 113.27 1o7k n ARG 85 Ca -0.01 -2.93 0.04 0.00 -0.77 0.00 0.00 57.85 54.17 1o7k n ARG 85 Cb 0.25 -1.90 0.17 0.00 -1.02 0.00 0.00 32.46 29.97 1o7k n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1o7k h ALA 86 N 1.88 1.18 -0.13 7.54 0.00 -1.69 0.14 119.26 128.19 1o7k h ALA 86 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1o7k h ALA 86 Cb 1.58 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1o7k h ALA 86 CO 0.31 0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.59 1o7k h ALA 87 N 1.47 0.17 -0.03 0.00 0.00 -1.88 -1.29 119.26 117.71 1o7k h ALA 87 Ca 0.40 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1o7k h ALA 87 Cb 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1o7k h ALA 87 CO -0.27 -0.10 -0.08 0.93 0.00 0.00 0.00 179.25 179.74 1o7k h GLU 88 N -0.07 -0.12 -0.78 0.00 3.07 -1.87 -2.31 114.58 112.50 1o7k h GLU 88 Ca 0.03 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 59.00 1o7k h GLU 88 Cb 0.42 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 1o7k h GLU 88 CO 0.01 -0.08 0.51 -0.91 -1.40 0.00 0.00 179.01 177.14 1o7k h ASN 89 N -0.12 0.62 0.29 1.42 2.35 -0.49 -2.09 115.58 117.55 1o7k h ASN 89 Ca 0.04 0.02 -0.25 0.00 -0.55 0.00 0.00 56.30 55.55 1o7k h ASN 89 Cb 0.17 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.44 1o7k h ASN 89 CO -0.10 0.37 -1.06 0.03 -1.65 0.00 0.00 177.43 175.02 1o7k h ARG 90 N 0.69 0.48 -0.89 0.81 3.08 -1.10 -3.20 114.38 114.24 1o7k h ARG 90 Ca 0.36 -0.57 0.19 0.00 0.07 0.00 0.00 59.98 60.03 1o7k h ARG 90 Cb 0.48 0.17 -0.17 0.00 0.08 0.00 0.00 29.97 30.54 1o7k h ARG 90 CO -0.14 1.21 -0.17 0.37 -1.07 0.00 0.00 179.97 180.17 1o7k h GLN 91 N 0.24 0.01 -0.19 0.04 4.15 -0.80 0.25 115.11 118.81 1o7k h GLN 91 Ca -0.12 -0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.09 1o7k h GLN 91 Cb 1.71 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.41 1o7k h GLN 91 CO 0.19 0.01 -0.72 0.78 -1.93 0.00 0.00 178.83 177.16 1o7k h GLY 92 N 0.01 0.91 0.81 2.39 0.00 -1.52 -2.22 103.07 103.44 1o7k h GLY 92 Ca 0.45 -1.22 0.06 0.00 0.00 0.00 0.00 47.33 46.61 1o7k h GLY 92 CO -0.89 1.09 0.64 -0.84 0.00 0.00 0.00 176.54 176.54 1o7k h THR 93 N 0.58 1.11 -0.06 4.70 2.02 -1.50 -3.03 112.91 116.72 1o7k h THR 93 Ca -0.04 -0.40 -0.18 0.00 0.77 0.00 0.00 66.41 66.56 1o7k h THR 93 Cb 1.35 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1o7k h THR 93 CO 0.15 0.21 -0.74 -0.07 0.37 0.00 0.00 175.52 175.45 1o7k h LEU 94 N 1.18 0.40 -0.43 2.58 3.38 -0.61 -2.38 115.31 119.43 1o7k h LEU 94 Ca 0.41 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1o7k h LEU 94 Cb 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1o7k h LEU 94 CO -0.15 1.00 0.21 0.74 0.09 0.00 0.00 178.44 180.33 1o7k h THR 95 N 0.22 0.97 -0.21 0.22 2.02 -1.33 -1.79 112.91 113.02 1o7k h THR 95 Ca -0.03 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1o7k h THR 95 Cb 1.31 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1o7k h THR 95 CO 0.12 0.08 0.05 -0.33 0.37 0.00 0.00 175.52 175.81 1o7k h GLU 96 N 0.43 0.33 -0.41 6.66 4.39 -1.46 -2.94 114.58 121.59 1o7k h GLU 96 Ca 0.18 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1o7k h GLU 96 Cb 0.09 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1o7k h GLU 96 CO -0.13 0.46 0.19 -0.92 -1.16 0.00 0.00 179.01 177.46 1o7k h TYR 97 N 0.15 0.36 -0.69 4.33 3.20 -1.20 -2.47 116.97 120.64 1o7k h TYR 97 Ca 0.06 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1o7k h TYR 97 Cb 0.28 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1o7k h TYR 97 CO 0.01 0.18 0.24 0.00 -1.64 0.00 0.00 178.16 176.95 1o7k h SER 99 N 1.00 0.73 -0.69 0.00 4.64 -1.30 -2.44 113.55 115.49 1o7k h SER 99 Ca 0.23 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1o7k h SER 99 Cb 0.26 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1o7k h SER 99 CO -0.01 0.91 0.39 0.74 -0.87 0.00 0.00 176.83 177.98 1o7k h THR 100 N 0.54 1.21 0.00 2.95 2.02 -1.40 -2.75 112.91 115.48 1o7k h THR 100 Ca 0.10 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1o7k h THR 100 Cb 0.57 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1o7k h THR 100 CO 0.03 0.23 0.00 -0.11 0.37 0.00 0.00 175.52 176.04 1o7k n LEU 101 N -4.52 0.00 0.00 2.58 7.94 0.16 -3.32 117.00 119.85 1o7k n LEU 101 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1o7k n LEU 101 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1o7k n LEU 101 CO 0.37 0.00 0.00 -1.54 -1.11 0.00 0.00 177.39 175.11 1o7k n SER 103 N 0.45 0.00 -4.75 1.96 3.41 -1.04 -4.64 113.62 109.01 1o7k n SER 103 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1o7k n SER 103 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1o7k n SER 103 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1o7k s LEU 104 N 0.00 2.92 0.99 1.04 1.43 -1.21 -5.00 118.68 118.86 1o7k s LEU 104 Ca 0.00 1.85 -0.14 0.00 -1.03 0.00 0.00 54.13 54.81 1o7k s LEU 104 Cb 0.00 -4.47 0.05 0.00 0.03 0.00 0.00 46.19 41.80 1o7k s LEU 104 CO 0.00 -2.28 0.31 -2.65 0.23 0.00 0.00 176.35 171.96 1o7k n PRO 105 N -3.68 -0.61 0.15 1.29 -0.02 -1.26 -4.41 135.00 126.46 1o7k n PRO 105 Ca 0.09 -0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1o7k n PRO 105 Cb 0.53 -1.82 0.48 0.00 -0.02 0.00 0.00 33.50 32.68 1o7k n PRO 105 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1o7k h THR 106 N -1.69 0.00 -0.99 3.45 1.35 -1.94 -0.94 112.91 112.15 1o7k h THR 106 Ca -0.46 -0.37 0.17 0.00 -0.55 0.00 0.00 66.41 65.20 1o7k h THR 106 Cb 1.30 1.22 -0.10 0.00 -1.73 0.00 0.00 68.15 68.85 1o7k h THR 106 CO 0.35 0.00 0.62 0.50 -0.25 0.00 0.00 175.52 176.74 1o7k h LYS 107 N 0.00 0.76 0.00 4.72 3.64 -1.94 -2.84 116.57 120.90 1o7k h LYS 107 Ca 0.00 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.11 1o7k h LYS 107 Cb 0.51 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1o7k h LYS 107 CO 0.00 0.50 -1.78 -0.89 -2.27 0.00 0.00 179.45 175.01 1o7k n ILE 108 N -4.69 0.78 0.33 2.00 5.41 -0.99 -3.84 119.36 118.36 1o7k n ILE 108 Ca 0.22 -0.25 0.11 0.00 1.00 0.00 0.00 62.75 63.83 1o7k n ILE 108 Cb 0.53 -1.32 0.50 0.00 -0.71 0.00 0.00 39.64 38.64 1o7k n ILE 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1o7k n SER 109 N -3.25 0.61 -0.05 4.38 3.41 -0.39 -2.48 113.62 115.85 1o7k n SER 109 Ca -0.26 0.68 0.04 0.00 -0.26 0.00 0.00 58.87 59.07 1o7k n SER 109 Cb 0.73 -0.80 0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1o7k n SER 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1o7k n ARG 110 N -2.21 2.03 -2.22 4.33 1.74 -1.07 -4.77 116.66 114.49 1o7k n ARG 110 Ca 0.01 -1.78 -0.37 0.00 -0.77 0.00 0.00 57.85 54.93 1o7k n ARG 110 Cb 0.17 -1.12 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 1o7k n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1o7k h PRO 112 N 2.10 0.41 -0.80 0.00 0.11 -1.91 -1.62 132.00 130.29 1o7k h PRO 112 Ca -0.49 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.62 1o7k h PRO 112 Cb 1.25 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1o7k h PRO 112 CO 0.60 0.27 0.51 1.25 -0.21 0.00 0.00 178.00 180.43 1o7k h HIS 113 N 0.42 0.96 0.01 0.65 -0.00 -1.95 0.33 115.15 115.57 1o7k h HIS 113 Ca 0.41 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.81 1o7k h HIS 113 Cb 0.97 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.06 1o7k h HIS 113 CO -0.00 0.55 -0.01 1.25 -0.00 0.00 0.00 177.93 179.72 1o7k h LEU 114 N 1.00 -0.02 0.00 0.26 6.46 -1.64 -2.28 115.31 119.09 1o7k h LEU 114 Ca 0.32 -0.55 0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1o7k h LEU 114 Cb 0.01 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 1o7k h LEU 114 CO -0.11 0.55 -0.29 -0.07 -0.62 0.00 0.00 178.44 177.89 1o7k h LEU 115 N -0.58 -0.86 -0.73 2.25 3.38 -1.13 -2.00 115.31 115.64 1o7k h LEU 115 Ca -0.00 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.23 1o7k h LEU 115 Cb 0.56 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 1o7k h LEU 115 CO 0.00 -0.36 0.22 0.44 0.09 0.00 0.00 178.44 178.84 1o7k h ASP 116 N -0.44 0.11 -0.99 -0.43 5.19 -0.42 -1.61 116.42 117.83 1o7k h ASP 116 Ca 0.06 0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.66 1o7k h ASP 116 Cb 0.52 0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.12 1o7k h ASP 116 CO -0.24 0.01 0.64 0.15 -3.12 0.00 0.00 179.24 176.68 1o7k h PHE 117 N 0.33 1.19 -0.32 4.55 3.57 -0.75 -2.78 116.94 122.72 1o7k h PHE 117 Ca 0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.94 1o7k h PHE 117 Cb 0.67 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1o7k h PHE 117 CO -0.22 0.64 0.00 1.19 -2.23 0.00 0.00 178.31 177.68 1o7k n PHE 118 N -4.48 0.41 -2.33 0.41 3.01 -0.68 -4.92 117.46 108.88 1o7k n PHE 118 Ca 0.15 -0.21 -0.36 0.00 1.01 0.00 0.00 57.45 58.04 1o7k n PHE 118 Cb 0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1o7k n PHE 118 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1o7k s LYS 119 N -1.59 3.74 0.10 -1.08 1.02 -0.78 -4.86 119.74 116.30 1o7k s LYS 119 Ca 0.37 1.65 -0.31 0.00 0.02 0.00 0.00 55.97 57.70 1o7k s LYS 119 Cb 0.22 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 35.12 1o7k s LYS 119 CO 0.31 -0.54 1.85 0.08 -0.92 0.00 0.00 175.35 176.12 1o7k s VAL 120 N -1.66 2.65 0.70 3.17 1.01 -1.26 -4.98 120.40 120.02 1o7k s VAL 120 Ca 0.65 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 1o7k s VAL 120 Cb -0.25 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1o7k s VAL 120 CO 0.30 -0.00 1.07 -0.13 0.00 0.00 0.00 175.10 176.34 1o7k s ARG 121 N 3.05 2.83 0.45 2.72 0.52 -1.26 -5.01 118.95 122.26 1o7k s ARG 121 Ca 0.82 1.07 -0.24 0.00 -0.52 0.00 0.00 55.73 56.85 1o7k s ARG 121 Cb -0.45 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 32.97 1o7k s ARG 121 CO 0.37 -1.19 1.26 -2.14 0.02 0.00 0.00 175.30 173.62 1o7k s PRO 122 N -4.81 3.73 0.00 3.54 0.02 -1.26 -5.21 135.00 131.02 1o7k s PRO 122 Ca 0.60 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1o7k s PRO 122 Cb -0.15 -2.53 0.11 0.00 0.02 0.00 0.00 34.50 31.94 1o7k s PRO 122 CO 0.52 -0.65 0.60 -0.25 -0.33 0.00 0.00 177.00 176.89