#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs8 n LYS 2 N 0.00 0.92 -3.70 3.17 5.02 -1.26 -5.15 118.16 117.17 1vs8 n LYS 2 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1vs8 n LYS 2 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1vs8 n LYS 2 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1vs8 s THR 3 N 4.15 -0.01 0.00 -0.18 2.01 -1.26 -5.13 115.64 115.22 1vs8 s THR 3 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1vs8 s THR 3 Cb 0.00 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1vs8 s THR 3 CO 0.00 0.01 0.00 2.22 -0.69 0.00 0.00 174.62 176.16 1vs8 n PHE 4 N 3.41 0.00 -3.63 4.92 1.16 -1.26 -5.09 117.46 116.97 1vs8 n PHE 4 Ca -0.17 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.35 1vs8 n PHE 4 Cb 0.56 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.38 1vs8 n PHE 4 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1vs8 s THR 5 N 0.00 0.00 -0.82 1.97 -1.32 -1.26 -5.12 115.64 109.09 1vs8 s THR 5 Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1vs8 s THR 5 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 1vs8 s THR 5 CO 0.00 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.25 1vs8 s ALA 6 N -0.53 3.81 -0.29 11.08 0.00 -1.26 -4.75 121.76 129.82 1vs8 s ALA 6 Ca 0.05 -3.03 0.19 0.00 0.00 0.00 0.00 51.96 49.17 1vs8 s ALA 6 Cb -0.03 -3.65 0.48 0.00 0.00 0.00 0.00 23.12 19.92 1vs8 s ALA 6 CO -0.07 -2.46 1.23 0.36 0.00 0.00 0.00 175.76 174.82 1vs8 n LYS 7 N 4.95 1.58 0.00 0.00 2.85 -1.26 -4.57 118.16 121.71 1vs8 n LYS 7 Ca 0.13 -2.79 0.00 0.00 -1.05 0.00 0.00 58.31 54.59 1vs8 n LYS 7 Cb 0.47 -0.96 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 1vs8 n LYS 7 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1vs8 n PRO 8 N -0.84 0.00 0.00 -1.58 -0.04 -1.26 -4.63 135.00 126.64 1vs8 n PRO 8 Ca -0.00 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1vs8 n PRO 8 Cb 0.83 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1vs8 n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1vs8 n GLU 9 N -0.76 2.82 0.00 0.54 2.13 -1.26 -5.02 120.64 119.09 1vs8 n GLU 9 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1vs8 n GLU 9 Cb 0.00 -0.73 0.00 0.00 0.27 0.00 0.00 31.44 30.98 1vs8 n GLU 9 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1vs8 n THR 10 N -0.84 0.00 0.00 6.31 -2.24 -1.26 -4.91 114.28 111.34 1vs8 n THR 10 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vs8 n THR 10 Cb 0.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1vs8 n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1vs8 n VAL 11 N -0.23 0.00 -1.40 2.28 3.14 -1.26 -5.08 118.33 115.78 1vs8 n VAL 11 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1vs8 n VAL 11 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1vs8 n VAL 11 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1vs8 n LYS 12 N 0.00 1.53 -1.17 1.45 4.76 -1.26 -4.93 118.16 118.54 1vs8 n LYS 12 Ca 0.00 -2.02 -0.31 0.00 -2.87 0.00 0.00 58.31 53.12 1vs8 n LYS 12 Cb 0.00 -3.13 0.11 0.00 -1.84 0.00 0.00 35.03 30.17 1vs8 n LYS 12 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1vs8 s ARG 13 N 5.41 1.87 0.35 1.97 0.52 -1.26 -4.74 118.95 123.06 1vs8 s ARG 13 Ca 0.60 1.15 0.05 0.00 -0.52 0.00 0.00 55.73 57.02 1vs8 s ARG 13 Cb 0.10 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 1vs8 s ARG 13 CO 0.13 -1.91 0.21 -0.51 0.02 0.00 0.00 175.30 173.23 1vs8 s ASP 14 N -3.29 1.97 -0.00 0.23 1.01 -1.26 -4.97 116.67 110.36 1vs8 s ASP 14 Ca 0.62 -1.69 0.00 0.00 0.71 0.00 0.00 52.55 52.19 1vs8 s ASP 14 Cb -0.18 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.27 1vs8 s ASP 14 CO 0.57 -0.99 0.53 0.79 0.21 0.00 0.00 175.17 176.28 1vs8 n TRP 15 N -0.70 0.00 -1.39 4.23 7.02 -1.26 -4.69 117.44 120.64 1vs8 n TRP 15 Ca 0.02 -0.02 -0.40 0.00 -1.02 0.00 0.00 57.50 56.08 1vs8 n TRP 15 Cb 0.64 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.54 1vs8 n TRP 15 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1vs8 n TYR 16 N -0.02 -1.30 -3.43 -5.99 4.02 -1.26 -2.73 117.16 106.46 1vs8 n TYR 16 Ca 0.00 0.51 -0.26 0.00 -0.01 0.00 0.00 57.90 58.14 1vs8 n TYR 16 Cb 0.49 -1.88 -0.09 0.00 -0.02 0.00 0.00 39.34 37.84 1vs8 n TYR 16 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1vs8 n VAL 17 N -1.33 -0.03 -1.69 -0.72 0.31 -1.25 -2.15 118.33 111.48 1vs8 n VAL 17 Ca 0.11 -4.12 -0.41 0.00 -0.01 0.00 0.00 64.34 59.90 1vs8 n VAL 17 Cb 0.44 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1vs8 n VAL 17 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1vs8 s VAL 18 N -0.95 3.11 0.04 2.52 1.01 0.11 -4.86 120.40 121.38 1vs8 s VAL 18 Ca 0.33 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 1vs8 s VAL 18 Cb 0.08 -3.17 -0.12 0.00 0.00 0.00 0.00 36.38 33.17 1vs8 s VAL 18 CO -0.14 -0.12 1.35 0.44 0.00 0.00 0.00 175.10 176.62 1vs8 h ASP 19 N 15.67 -0.79 -2.35 3.32 3.32 -1.89 -2.08 116.42 131.62 1vs8 h ASP 19 Ca -0.35 0.05 -0.29 0.00 0.02 0.00 0.00 57.03 56.45 1vs8 h ASP 19 Cb 1.23 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.94 1vs8 h ASP 19 CO 1.03 -0.47 -0.32 0.00 -1.72 0.00 0.00 179.24 177.77 1vs8 n ALA 20 N -2.51 -0.45 0.87 3.45 0.00 -1.26 -2.23 120.51 118.38 1vs8 n ALA 20 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1vs8 n ALA 20 Cb 0.31 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1vs8 n ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vs8 n THR 21 N -2.68 0.00 -0.97 0.00 -2.24 -1.26 -4.31 114.28 102.82 1vs8 n THR 21 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1vs8 n THR 21 Cb 0.55 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1vs8 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vs8 n GLY 22 N 0.10 4.21 0.00 3.38 0.00 -1.26 -4.97 105.19 106.65 1vs8 n GLY 22 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1vs8 n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs8 n LYS 23 N 0.00 0.00 -2.72 1.61 5.02 -1.26 -4.40 118.16 116.41 1vs8 n LYS 23 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1vs8 n LYS 23 Cb 0.00 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1vs8 n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1vs8 s THR 24 N -1.84 4.46 0.43 -0.18 -4.23 -1.26 -4.63 115.64 108.39 1vs8 s THR 24 Ca 0.00 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.38 1vs8 s THR 24 Cb 0.00 -5.09 -0.03 0.00 1.34 0.00 0.00 72.50 68.73 1vs8 s THR 24 CO 0.00 -1.87 0.09 -1.48 -0.54 0.00 0.00 174.62 170.82 1vs8 s LEU 25 N 3.23 2.11 0.00 4.79 -0.00 -1.26 -4.72 118.68 122.84 1vs8 s LEU 25 Ca 0.49 -1.63 0.00 0.00 -0.00 0.00 0.00 54.13 52.99 1vs8 s LEU 25 Cb 0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 46.19 45.89 1vs8 s LEU 25 CO 0.04 -0.87 0.00 0.61 -0.00 0.00 0.00 176.35 176.14 1vs8 n GLY 26 N -0.98 2.11 0.51 -3.48 0.00 -1.26 -3.42 105.19 98.67 1vs8 n GLY 26 Ca -0.09 -0.18 0.33 0.00 0.00 0.00 0.00 46.02 46.08 1vs8 n GLY 26 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vs8 h ARG 27 N 0.00 0.00 -1.10 1.61 -0.00 -1.99 0.12 114.38 113.02 1vs8 h ARG 27 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 59.98 60.28 1vs8 h ARG 27 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 29.90 1vs8 h ARG 27 CO 0.00 0.00 0.75 1.25 -0.00 0.00 0.00 179.97 181.97 1vs8 h LEU 28 N 0.00 0.21 -0.55 0.08 7.12 -1.84 -0.26 115.31 120.07 1vs8 h LEU 28 Ca 0.50 0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.62 1vs8 h LEU 28 Cb 2.09 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 42.18 1vs8 h LEU 28 CO -0.01 0.03 0.26 0.00 -0.13 0.00 0.00 178.44 178.59 1vs8 h ALA 29 N 1.52 0.71 -0.72 1.25 0.00 -1.05 -2.72 119.26 118.25 1vs8 h ALA 29 Ca 0.57 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.68 1vs8 h ALA 29 Cb 1.88 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.53 1vs8 h ALA 29 CO -0.15 -0.11 0.16 1.79 0.00 0.00 0.00 179.25 180.94 1vs8 h THR 30 N 0.48 0.52 -0.35 0.00 1.35 -1.23 -0.33 112.91 113.36 1vs8 h THR 30 Ca 0.26 -0.09 0.04 0.00 -0.55 0.00 0.00 66.41 66.06 1vs8 h THR 30 Cb 0.22 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 66.84 1vs8 h THR 30 CO -0.21 0.05 0.13 -0.08 -0.25 0.00 0.00 175.52 175.16 1vs8 h GLU 31 N 0.26 0.28 -0.98 4.72 4.57 -1.60 1.18 114.58 123.01 1vs8 h GLU 31 Ca 0.40 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1vs8 h GLU 31 Cb 0.68 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 1vs8 h GLU 31 CO -0.50 0.18 0.65 -0.07 -1.18 0.00 0.00 179.01 178.08 1vs8 h LEU 32 N 0.28 1.10 -0.01 1.64 3.38 -1.14 0.12 115.31 120.68 1vs8 h LEU 32 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1vs8 h LEU 32 Cb 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1vs8 h LEU 32 CO -0.15 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 179.11 1vs8 h ALA 33 N 1.38 0.02 -0.85 1.53 0.00 -0.12 -2.59 119.26 118.64 1vs8 h ALA 33 Ca 0.38 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1vs8 h ALA 33 Cb -0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1vs8 h ALA 33 CO -0.10 -0.13 0.53 0.00 0.00 0.00 0.00 179.25 179.55 1vs8 h ARG 34 N -0.57 0.94 0.00 0.00 2.47 0.16 0.14 114.38 117.53 1vs8 h ARG 34 Ca -0.00 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1vs8 h ARG 34 Cb 0.68 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1vs8 h ARG 34 CO 0.01 0.62 0.00 -2.13 0.56 0.00 0.00 179.97 179.03 1vs8 n ARG 35 N -4.62 0.07 0.03 0.04 3.00 0.38 0.11 116.66 115.67 1vs8 n ARG 35 Ca 0.12 0.19 -0.10 0.00 -0.00 0.00 0.00 57.85 58.07 1vs8 n ARG 35 Cb 0.17 -1.60 -0.13 0.00 0.00 0.00 0.00 32.46 30.89 1vs8 n ARG 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1vs8 h LEU 36 N 0.00 0.08 0.00 6.15 4.07 -0.35 -3.31 115.31 121.95 1vs8 h LEU 36 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1vs8 h LEU 36 Cb 0.42 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1vs8 h LEU 36 CO 0.00 1.09 -1.42 0.54 -1.08 0.00 0.00 178.44 177.57 1vs8 n ARG 37 N -3.26 0.62 -0.53 1.13 5.12 -0.59 -3.97 116.66 115.18 1vs8 n ARG 37 Ca -0.09 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 1vs8 n ARG 37 Cb 1.00 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 1vs8 n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vs8 n GLY 38 N 1.22 -0.29 0.00 -0.13 0.00 0.12 -4.57 105.19 101.53 1vs8 n GLY 38 Ca -0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 1vs8 n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vs8 h LYS 39 N 0.00 -0.00 -1.03 1.61 3.64 -1.61 -3.32 116.57 115.86 1vs8 h LYS 39 Ca 0.00 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.63 1vs8 h LYS 39 Cb 0.00 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 1vs8 h LYS 39 CO 0.00 -0.00 0.64 1.25 -2.27 0.00 0.00 179.45 179.07 1vs8 h HIS 40 N -0.02 0.78 -5.18 1.91 2.76 -1.98 -3.47 115.15 109.97 1vs8 h HIS 40 Ca -0.00 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1vs8 h HIS 40 Cb 0.00 -0.23 -0.11 0.00 1.55 0.00 0.00 27.41 28.63 1vs8 h HIS 40 CO 0.03 0.08 -1.37 1.17 -1.30 0.00 0.00 177.93 176.54 1vs8 n LYS 41 N -4.70 -4.09 0.12 5.26 3.00 -1.25 -4.86 118.16 111.62 1vs8 n LYS 41 Ca 0.26 3.13 0.13 0.00 -0.00 0.00 0.00 58.31 61.82 1vs8 n LYS 41 Cb 0.82 -4.58 0.42 0.00 0.00 0.00 0.00 35.03 31.69 1vs8 n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vs8 n ALA 42 N 1.71 2.14 0.00 3.14 0.00 -1.26 -4.60 120.51 121.64 1vs8 n ALA 42 Ca -0.33 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1vs8 n ALA 42 Cb 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1vs8 n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vs8 n GLU 43 N -2.29 0.00 -0.11 0.00 0.28 -1.26 -5.17 120.64 112.09 1vs8 n GLU 43 Ca 0.05 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.02 1vs8 n GLU 43 Cb 0.39 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.29 1vs8 n GLU 43 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1vs8 n TYR 44 N 0.00 -1.27 -3.65 -1.84 4.19 -1.26 -4.27 117.16 109.06 1vs8 n TYR 44 Ca 0.00 -0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.19 1vs8 n TYR 44 Cb 0.00 -0.29 -0.06 0.00 0.49 0.00 0.00 39.34 39.47 1vs8 n TYR 44 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1vs8 s THR 45 N -0.82 0.00 0.16 2.97 2.01 -1.26 -4.80 115.64 113.90 1vs8 s THR 45 Ca 0.07 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.10 1vs8 s THR 45 Cb -0.01 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.53 1vs8 s THR 45 CO 0.06 0.00 0.83 -2.65 -0.69 0.00 0.00 174.62 172.17 1vs8 n PRO 46 N 3.22 0.03 -0.05 4.92 -0.02 -1.26 -1.19 135.00 140.64 1vs8 n PRO 46 Ca -0.17 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 1vs8 n PRO 46 Cb 0.57 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 1vs8 n PRO 46 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1vs8 n HIS 47 N -1.66 0.67 -2.68 6.00 -0.00 -1.26 -4.97 115.22 111.31 1vs8 n HIS 47 Ca -0.00 0.23 -0.32 0.00 -0.00 0.00 0.00 57.72 57.63 1vs8 n HIS 47 Cb 0.59 -1.12 -0.05 0.00 -0.00 0.00 0.00 29.99 29.41 1vs8 n HIS 47 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1vs8 s VAL 48 N -2.56 4.56 1.22 3.57 1.01 -0.33 -5.04 120.40 122.83 1vs8 s VAL 48 Ca -0.09 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 1vs8 s VAL 48 Cb 0.07 -3.68 0.29 0.00 0.00 0.00 0.00 36.38 33.07 1vs8 s VAL 48 CO 0.81 -0.50 1.11 1.51 0.00 0.00 0.00 175.10 178.04 1vs8 s ASP 49 N -2.76 0.80 0.00 3.32 -4.77 -1.26 -4.87 116.67 107.12 1vs8 s ASP 49 Ca 0.58 0.57 0.00 0.00 -3.30 0.00 0.00 52.55 50.40 1vs8 s ASP 49 Cb -0.10 -0.77 0.00 0.00 -1.09 0.00 0.00 42.92 40.96 1vs8 s ASP 49 CO 0.25 -4.19 0.00 0.41 0.70 0.00 0.00 175.17 172.34 1vs8 n THR 50 N -4.80 0.00 1.76 2.11 -1.04 -1.26 -4.98 114.28 106.07 1vs8 n THR 50 Ca 0.14 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.28 1vs8 n THR 50 Cb 0.60 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.76 1vs8 n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vs8 n GLY 51 N 1.86 -0.58 3.29 3.41 0.00 -1.25 -4.73 105.19 107.18 1vs8 n GLY 51 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1vs8 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vs8 n ASP 52 N -0.47 -6.87 -0.88 1.61 9.92 -1.26 -3.85 116.55 114.75 1vs8 n ASP 52 Ca 0.19 -0.41 -0.11 0.00 -0.53 0.00 0.00 54.79 53.93 1vs8 n ASP 52 Cb 0.18 -4.40 -0.01 0.00 -0.64 0.00 0.00 41.12 36.25 1vs8 n ASP 52 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1vs8 n TYR 53 N -2.32 0.11 -4.20 1.24 4.02 -1.26 -4.72 117.16 110.03 1vs8 n TYR 53 Ca -0.08 0.21 -0.12 0.00 -0.01 0.00 0.00 57.90 57.90 1vs8 n TYR 53 Cb 0.56 -0.41 -0.10 0.00 -0.02 0.00 0.00 39.34 39.37 1vs8 n TYR 53 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vs8 s ILE 54 N -0.02 0.82 -0.23 -0.72 1.01 0.88 -3.99 121.20 118.95 1vs8 s ILE 54 Ca 0.17 -1.97 -0.04 0.00 0.00 0.00 0.00 60.65 58.81 1vs8 s ILE 54 Cb -0.24 -1.77 0.08 0.00 0.01 0.00 0.00 42.46 40.53 1vs8 s ILE 54 CO 0.11 -0.80 0.10 -0.63 0.00 0.00 0.00 174.94 173.73 1vs8 s ILE 55 N -3.55 0.02 -0.31 2.92 1.01 -0.91 -3.69 121.20 116.68 1vs8 s ILE 55 Ca 0.14 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 1vs8 s ILE 55 Cb 0.05 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1vs8 s ILE 55 CO -0.02 -0.50 0.67 -0.69 0.00 0.00 0.00 174.94 174.40 1vs8 s VAL 56 N 2.07 4.90 0.56 2.92 1.01 -1.18 0.07 120.40 130.76 1vs8 s VAL 56 Ca 0.05 0.93 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 1vs8 s VAL 56 Cb -0.16 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1vs8 s VAL 56 CO -0.22 -0.18 0.82 -0.22 0.00 0.00 0.00 175.10 175.31 1vs8 s LEU 57 N 2.70 3.30 0.00 3.92 2.96 -0.78 -4.40 118.68 126.37 1vs8 s LEU 57 Ca 0.27 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1vs8 s LEU 57 Cb -0.15 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1vs8 s LEU 57 CO 0.12 -1.06 0.00 0.59 -1.32 0.00 0.00 176.35 174.68 1vs8 n ASN 58 N -2.44 0.00 0.00 3.68 4.13 -1.24 -4.30 115.26 115.10 1vs8 n ASN 58 Ca 0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1vs8 n ASN 58 Cb 0.59 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 1vs8 n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vs8 n ALA 59 N 4.95 0.00 0.46 5.41 0.00 -1.26 -3.11 120.51 126.96 1vs8 n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vs8 n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vs8 n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vs8 n ASP 60 N 0.63 0.32 -3.64 0.00 5.75 -1.26 -4.41 116.55 113.93 1vs8 n ASP 60 Ca 0.00 -0.77 -0.14 0.00 -0.01 0.00 0.00 54.79 53.87 1vs8 n ASP 60 Cb 0.00 -0.16 -0.13 0.00 -1.03 0.00 0.00 41.12 39.80 1vs8 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1vs8 s LYS 61 N -1.18 0.15 -0.23 0.11 2.36 -1.26 -5.05 119.74 114.63 1vs8 s LYS 61 Ca 0.00 0.69 -0.19 0.00 -2.55 0.00 0.00 55.97 53.92 1vs8 s LYS 61 Cb 0.00 -0.16 0.06 0.00 -1.05 0.00 0.00 37.83 36.68 1vs8 s LYS 61 CO 0.00 -0.33 0.61 0.14 1.55 0.00 0.00 175.35 177.31 1vs8 s VAL 62 N 2.41 -0.00 0.24 4.02 -7.23 -1.26 -4.47 120.40 114.10 1vs8 s VAL 62 Ca 0.02 0.01 0.17 0.00 -1.81 0.00 0.00 61.98 60.38 1vs8 s VAL 62 Cb -0.12 -0.86 0.12 0.00 0.56 0.00 0.00 36.38 36.08 1vs8 s VAL 62 CO -0.09 0.00 1.76 0.00 -0.31 0.00 0.00 175.10 176.46 1vs8 h ALA 63 N 5.84 1.07 -1.91 1.32 0.00 -1.82 -3.49 119.26 120.27 1vs8 h ALA 63 Ca -0.30 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.32 1vs8 h ALA 63 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1vs8 h ALA 63 CO 0.15 0.49 -0.08 0.28 0.00 0.00 0.00 179.25 180.09 1vs8 n VAL 64 N -3.66 0.00 0.00 0.00 0.31 -1.26 -4.82 118.33 108.90 1vs8 n VAL 64 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1vs8 n VAL 64 Cb 0.49 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 1vs8 n VAL 64 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1vs8 n THR 65 N -2.08 0.00 0.40 2.52 -2.24 -1.26 -4.88 114.28 106.73 1vs8 n THR 65 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1vs8 n THR 65 Cb 0.10 -0.16 0.26 0.00 -2.10 0.00 0.00 70.33 68.43 1vs8 n THR 65 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1vs8 h GLY 66 N 0.00 0.00 0.00 3.38 0.00 -2.05 -3.41 103.07 100.98 1vs8 h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vs8 h GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 1vs8 n ASN 67 N -2.70 0.00 0.00 0.19 5.15 -1.26 -4.90 115.26 111.75 1vs8 n ASN 67 Ca 0.04 -0.70 0.02 0.00 -0.60 0.00 0.00 54.58 53.34 1vs8 n ASN 67 Cb 0.49 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.86 1vs8 n ASN 67 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1vs8 n LYS 68 N 0.00 0.14 0.07 1.20 4.76 -1.26 -1.06 118.16 122.01 1vs8 n LYS 68 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1vs8 n LYS 68 Cb 0.18 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.91 1vs8 n LYS 68 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1vs8 h ARG 69 N 0.00 0.31 0.00 1.97 1.12 -1.87 -3.00 114.38 112.91 1vs8 h ARG 69 Ca 0.00 -0.29 0.00 0.00 -1.11 0.00 0.00 59.98 58.58 1vs8 h ARG 69 Cb 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1vs8 h ARG 69 CO 0.00 0.96 -1.42 2.41 -3.11 0.00 0.00 179.97 178.80 1vs8 n THR 70 N -3.77 0.00 -2.37 0.20 -1.04 -0.23 -0.85 114.28 106.22 1vs8 n THR 70 Ca -0.04 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 61.55 1vs8 n THR 70 Cb 0.75 0.32 0.03 0.00 -1.82 0.00 0.00 70.33 69.61 1vs8 n THR 70 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1vs8 n ASP 71 N -1.84 3.60 -3.95 8.00 8.00 -0.86 -4.76 116.55 124.75 1vs8 n ASP 71 Ca -0.02 -3.11 -0.30 0.00 0.71 0.00 0.00 54.79 52.07 1vs8 n ASP 71 Cb 0.30 -0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 40.86 1vs8 n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1vs8 s LYS 72 N -3.64 2.23 1.04 -1.24 2.20 -1.13 -4.81 119.74 114.39 1vs8 s LYS 72 Ca 0.41 -2.89 -0.13 0.00 -0.36 0.00 0.00 55.97 53.01 1vs8 s LYS 72 Cb 0.38 -3.41 0.21 0.00 -1.51 0.00 0.00 37.83 33.50 1vs8 s LYS 72 CO -0.01 -1.18 1.08 0.54 -0.36 0.00 0.00 175.35 175.43 1vs8 s VAL 73 N -0.72 2.03 0.00 4.02 0.11 -1.26 -2.56 120.40 122.02 1vs8 s VAL 73 Ca 0.20 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1vs8 s VAL 73 Cb -0.18 -2.43 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1vs8 s VAL 73 CO -0.06 -0.01 0.00 -1.22 -3.33 0.00 0.00 175.10 170.48 1vs8 n TYR 74 N -4.32 0.00 -1.33 1.54 4.02 -0.78 -4.93 117.16 111.35 1vs8 n TYR 74 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1vs8 n TYR 74 Cb 0.57 0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 1vs8 n TYR 74 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1vs8 n TYR 75 N -2.61 -3.52 0.00 -0.72 0.53 -1.25 -5.00 117.16 104.60 1vs8 n TYR 75 Ca 0.00 1.84 0.00 0.00 -1.02 0.00 0.00 57.90 58.72 1vs8 n TYR 75 Cb 0.37 -3.07 0.00 0.00 -1.03 0.00 0.00 39.34 35.61 1vs8 n TYR 75 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 1vs8 n HIS 76 N -0.16 0.00 -2.39 -0.72 8.25 -0.89 -5.02 115.22 114.29 1vs8 n HIS 76 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1vs8 n HIS 76 Cb 0.00 0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 1vs8 n HIS 76 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1vs8 n HIS 77 N -1.89 -4.79 0.00 4.41 -0.00 -1.26 -4.90 115.22 106.79 1vs8 n HIS 77 Ca 0.00 2.84 0.00 0.00 -0.00 0.00 0.00 57.72 60.56 1vs8 n HIS 77 Cb 0.06 -3.87 0.00 0.00 -0.00 0.00 0.00 29.99 26.18 1vs8 n HIS 77 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1vs8 n THR 78 N 1.81 0.00 -0.06 3.57 -2.24 -1.26 -4.91 114.28 111.20 1vs8 n THR 78 Ca -0.07 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 1vs8 n THR 78 Cb 0.11 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1vs8 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vs8 n GLY 79 N 0.96 -0.18 3.55 3.38 0.00 -1.26 -4.90 105.19 106.75 1vs8 n GLY 79 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1vs8 n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vs8 s HIS 80 N -2.22 2.04 0.00 1.61 3.76 -1.26 -4.93 115.29 114.28 1vs8 s HIS 80 Ca -0.16 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1vs8 s HIS 80 Cb 0.06 -4.38 0.00 0.00 1.11 0.00 0.00 32.58 29.37 1vs8 s HIS 80 CO 0.22 -2.10 0.05 1.51 -0.85 0.00 0.00 174.74 173.57 1vs8 n ILE 81 N 6.92 0.00 -2.43 0.60 3.06 -1.26 -4.51 119.36 121.74 1vs8 n ILE 81 Ca 0.18 0.43 -0.04 0.00 -2.50 0.00 0.00 62.75 60.82 1vs8 n ILE 81 Cb 0.50 -0.81 -0.00 0.00 0.54 0.00 0.00 39.64 39.87 1vs8 n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1vs8 n GLY 82 N -0.12 -0.46 3.52 4.50 0.00 -1.26 0.56 105.19 111.93 1vs8 n GLY 82 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1vs8 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs8 n GLY 83 N -0.58 -0.49 0.00 -0.02 0.00 -1.26 -4.92 105.19 97.92 1vs8 n GLY 83 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vs8 n GLY 83 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vs8 n ILE 84 N -4.26 0.00 -2.97 -0.61 -6.64 0.19 -5.01 119.36 100.06 1vs8 n ILE 84 Ca -0.01 0.74 -0.00 0.00 -1.77 0.00 0.00 62.75 61.71 1vs8 n ILE 84 Cb 0.54 -1.54 -0.00 0.00 -1.44 0.00 0.00 39.64 37.20 1vs8 n ILE 84 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1vs8 n LYS 85 N -1.49 -1.79 -2.64 6.28 3.00 -1.26 -4.89 118.16 115.37 1vs8 n LYS 85 Ca 0.00 1.72 -0.41 0.00 -0.00 0.00 0.00 58.31 59.62 1vs8 n LYS 85 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 35.03 32.01 1vs8 n LYS 85 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1vs8 s GLN 86 N -1.25 4.65 -0.02 1.64 -2.07 -1.26 -4.83 119.66 116.53 1vs8 s GLN 86 Ca -0.01 1.56 0.03 0.00 -1.82 0.00 0.00 55.36 55.13 1vs8 s GLN 86 Cb 0.00 -3.34 -0.00 0.00 -1.09 0.00 0.00 33.01 28.58 1vs8 s GLN 86 CO 0.36 0.15 -0.10 0.00 -1.32 0.00 0.00 175.29 174.38 1vs8 s ALA 87 N -0.09 0.87 -0.11 2.60 0.00 -1.26 -2.10 121.76 121.68 1vs8 s ALA 87 Ca 0.48 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 1vs8 s ALA 87 Cb -0.26 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1vs8 s ALA 87 CO 0.32 0.18 0.27 0.99 0.00 0.00 0.00 175.76 177.51 1vs8 s THR 88 N -0.04 -0.02 0.67 0.00 2.01 -1.26 -4.94 115.64 112.06 1vs8 s THR 88 Ca 0.01 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1vs8 s THR 88 Cb -0.06 -0.39 0.06 0.00 0.01 0.00 0.00 72.50 72.11 1vs8 s THR 88 CO 0.00 0.03 0.95 -0.36 -0.69 0.00 0.00 174.62 174.55 1vs8 s PHE 89 N 0.67 2.83 0.03 4.92 0.40 -1.26 -1.87 117.98 123.70 1vs8 s PHE 89 Ca -0.04 0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 1vs8 s PHE 89 Cb -0.06 -3.08 -0.18 0.00 0.51 0.00 0.00 43.02 40.20 1vs8 s PHE 89 CO -0.04 -1.30 1.21 1.49 0.70 0.00 0.00 175.22 177.29 1vs8 h GLU 90 N -0.43 0.45 0.00 0.44 4.81 -1.68 -2.79 114.58 115.39 1vs8 h GLU 90 Ca -0.43 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.43 1vs8 h GLU 90 Cb 1.31 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1vs8 h GLU 90 CO 0.57 1.00 0.15 0.39 -0.73 0.00 0.00 179.01 180.39 1vs8 n GLU 91 N -4.31 0.11 -1.04 1.92 -0.58 -0.03 -0.32 120.64 116.39 1vs8 n GLU 91 Ca -0.08 0.60 -0.22 0.00 -0.42 0.00 0.00 57.16 57.03 1vs8 n GLU 91 Cb 0.56 -2.02 0.10 0.00 -0.57 0.00 0.00 31.44 29.52 1vs8 n GLU 91 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1vs8 n MET 92 N -2.13 2.13 -3.19 3.49 2.81 -1.05 -4.64 117.12 114.54 1vs8 n MET 92 Ca -0.01 -2.44 -0.33 0.00 -1.81 0.00 0.00 57.70 53.11 1vs8 n MET 92 Cb 0.18 -1.96 -0.04 0.00 -0.71 0.00 0.00 33.22 30.70 1vs8 n MET 92 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1vs8 n ILE 93 N -0.60 3.71 0.08 2.02 5.41 0.56 -4.67 119.36 125.86 1vs8 n ILE 93 Ca 0.48 -5.56 0.05 0.00 1.00 0.00 0.00 62.75 58.72 1vs8 n ILE 93 Cb 1.06 -2.00 -0.07 0.00 -0.71 0.00 0.00 39.64 37.92 1vs8 n ILE 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vs8 n ALA 94 N 0.86 2.52 0.02 -1.39 0.00 -1.26 -4.23 120.51 117.02 1vs8 n ALA 94 Ca 0.30 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1vs8 n ALA 94 Cb 0.37 -0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 1vs8 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs8 h ARG 95 N 0.00 0.04 -0.31 0.00 -0.00 -1.99 -3.43 114.38 108.69 1vs8 h ARG 95 Ca 0.00 -0.06 -0.27 0.00 -0.50 0.00 0.00 59.98 59.14 1vs8 h ARG 95 Cb 0.40 0.02 -0.18 0.00 0.00 0.00 0.00 29.97 30.22 1vs8 h ARG 95 CO 0.00 0.77 -0.58 -2.13 0.00 0.00 0.00 179.97 178.03 1vs8 n ARG 96 N -3.22 0.78 0.10 0.04 0.63 -1.26 -4.99 116.66 108.74 1vs8 n ARG 96 Ca -0.11 -1.97 0.18 0.00 -0.92 0.00 0.00 57.85 55.04 1vs8 n ARG 96 Cb 1.01 -1.42 0.74 0.00 0.45 0.00 0.00 32.46 33.24 1vs8 n ARG 96 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1vs8 h PRO 97 N 3.96 0.00 -0.30 -0.14 0.11 -1.84 -1.74 132.00 132.04 1vs8 h PRO 97 Ca -0.11 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.04 1vs8 h PRO 97 Cb 1.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1vs8 h PRO 97 CO 0.34 0.00 0.05 0.93 -0.21 0.00 0.00 178.00 179.11 1vs8 h GLU 98 N 0.00 0.15 -0.98 1.05 3.07 -1.89 -3.04 114.58 112.94 1vs8 h GLU 98 Ca 0.17 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 59.12 1vs8 h GLU 98 Cb 0.76 -0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 28.52 1vs8 h GLU 98 CO -0.00 0.10 -0.55 -2.13 -1.40 0.00 0.00 179.01 175.03 1vs8 n ARG 99 N -5.10 -0.40 -0.57 2.33 0.63 -0.65 -4.10 116.66 108.80 1vs8 n ARG 99 Ca 0.00 1.48 -0.30 0.00 -0.92 0.00 0.00 57.85 58.11 1vs8 n ARG 99 Cb 0.14 -2.18 0.22 0.00 0.45 0.00 0.00 32.46 31.08 1vs8 n ARG 99 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1vs8 n VAL 100 N -5.26 0.00 0.00 5.15 3.14 -1.15 -1.79 118.33 118.42 1vs8 n VAL 100 Ca 0.03 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1vs8 n VAL 100 Cb 0.27 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 1vs8 n VAL 100 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1vs8 n ILE 101 N -4.74 0.00 0.18 1.55 2.08 -1.26 -4.04 119.36 113.13 1vs8 n ILE 101 Ca 0.02 0.00 0.03 0.00 0.56 0.00 0.00 62.75 63.35 1vs8 n ILE 101 Cb 0.58 0.00 0.37 0.00 -0.75 0.00 0.00 39.64 39.85 1vs8 n ILE 101 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1vs8 h GLU 102 N 0.00 0.03 -0.12 0.38 4.39 -1.66 0.40 114.58 118.01 1vs8 h GLU 102 Ca 0.00 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1vs8 h GLU 102 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1vs8 h GLU 102 CO 0.00 0.36 -0.30 0.82 -1.16 0.00 0.00 179.01 178.72 1vs8 h ILE 103 N 0.03 1.38 0.74 3.13 1.08 -1.49 -3.09 117.51 119.28 1vs8 h ILE 103 Ca 0.00 -1.60 -0.04 0.00 -0.39 0.00 0.00 64.86 62.83 1vs8 h ILE 103 Cb 0.59 2.11 0.01 0.00 -3.07 0.00 0.00 36.82 36.45 1vs8 h ILE 103 CO 0.04 0.47 -0.35 0.00 -0.69 0.00 0.00 178.15 177.62 1vs8 h ALA 104 N 0.51 -0.99 -1.27 1.87 0.00 -1.64 -2.74 119.26 115.01 1vs8 h ALA 104 Ca -0.00 -0.23 0.37 0.00 0.00 0.00 0.00 54.91 55.05 1vs8 h ALA 104 Cb 0.91 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1vs8 h ALA 104 CO 0.07 -1.02 0.91 -0.24 0.00 0.00 0.00 179.25 178.96 1vs8 h VAL 105 N -1.06 0.37 -4.03 0.00 3.04 -0.34 -3.40 116.25 110.82 1vs8 h VAL 105 Ca -0.10 -0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 65.13 1vs8 h VAL 105 Cb 0.78 0.35 0.15 0.00 -2.01 0.00 0.00 31.29 30.56 1vs8 h VAL 105 CO 0.17 0.00 0.26 -0.75 -1.01 0.00 0.00 177.57 176.24 1vs8 s LYS 106 N -4.96 0.56 0.00 4.17 2.20 -1.03 -3.42 119.74 117.27 1vs8 s LYS 106 Ca -0.05 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1vs8 s LYS 106 Cb 0.23 -1.78 0.00 0.00 -1.51 0.00 0.00 37.83 34.78 1vs8 s LYS 106 CO 0.82 -2.57 0.00 0.41 -0.36 0.00 0.00 175.35 173.64 1vs8 n GLY 107 N -1.93 1.15 0.10 5.54 0.00 -1.26 -4.57 105.19 104.21 1vs8 n GLY 107 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vs8 n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vs8 n MET 108 N 0.00 0.91 -3.62 1.61 2.81 -1.22 -4.78 117.12 112.83 1vs8 n MET 108 Ca 0.00 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.69 1vs8 n MET 108 Cb 0.00 -1.09 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 1vs8 n MET 108 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 1vs8 s LEU 109 N -0.81 3.87 0.62 4.03 0.05 -1.26 -4.96 118.68 120.22 1vs8 s LEU 109 Ca 0.00 -0.28 0.24 0.00 0.05 0.00 0.00 54.13 54.15 1vs8 s LEU 109 Cb 0.00 -2.57 1.13 0.00 -2.05 0.00 0.00 46.19 42.70 1vs8 s LEU 109 CO 0.00 -0.38 1.60 -0.65 -0.55 0.00 0.00 176.35 176.37 1vs8 h PRO 110 N 1.03 0.00 -3.79 1.48 0.11 -1.87 -3.47 132.00 125.49 1vs8 h PRO 110 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vs8 h PRO 110 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1vs8 h PRO 110 CO 0.55 0.00 -0.68 1.63 -0.21 0.00 0.00 178.00 179.29 1vs8 n LYS 111 N -3.23 -3.65 0.00 1.05 5.02 -1.26 -4.92 118.16 111.17 1vs8 n LYS 111 Ca 0.09 2.79 0.00 0.00 -2.02 0.00 0.00 58.31 59.18 1vs8 n LYS 111 Cb 0.91 -3.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1vs8 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vs8 n GLY 112 N 1.28 0.76 0.34 0.72 0.00 -1.26 -4.82 105.19 102.21 1vs8 n GLY 112 Ca 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 1vs8 n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vs8 h PRO 113 N 4.89 -0.42 0.22 1.61 0.11 -1.98 -0.23 132.00 136.20 1vs8 h PRO 113 Ca 0.00 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1vs8 h PRO 113 Cb 0.00 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1vs8 h PRO 113 CO 0.00 -0.28 -0.30 1.25 -0.21 0.00 0.00 178.00 178.46 1vs8 h LEU 114 N -0.44 -0.84 -2.26 2.35 5.85 -1.96 -1.99 115.31 116.01 1vs8 h LEU 114 Ca 0.02 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1vs8 h LEU 114 Cb 0.50 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1vs8 h LEU 114 CO -0.30 -0.37 0.25 1.23 -0.34 0.00 0.00 178.44 178.91 1vs8 h GLY 115 N -0.54 0.00 2.00 3.75 0.00 -1.87 0.93 103.07 107.34 1vs8 h GLY 115 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1vs8 h GLY 115 CO -0.08 0.00 -0.43 -0.09 0.00 0.00 0.00 176.54 175.95 1vs8 h ARG 116 N 0.00 0.00 -0.93 4.80 9.65 -0.26 -2.85 114.38 124.79 1vs8 h ARG 116 Ca 0.02 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.45 1vs8 h ARG 116 Cb 0.51 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 28.82 1vs8 h ARG 116 CO -0.00 0.43 0.56 0.00 2.80 0.00 0.00 179.97 183.76 1vs8 n ALA 117 N -2.30 5.38 -0.04 2.80 0.00 0.32 -4.17 120.51 122.49 1vs8 n ALA 117 Ca -0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 53.44 50.60 1vs8 n ALA 117 Cb 0.55 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 1vs8 n ALA 117 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1vs8 n MET 118 N -0.95 2.18 -0.10 0.00 0.00 -1.08 -4.46 117.12 112.72 1vs8 n MET 118 Ca 0.56 0.01 -0.10 0.00 0.00 0.00 0.00 57.70 58.16 1vs8 n MET 118 Cb 1.61 -1.21 -0.03 0.00 0.00 0.00 0.00 33.22 33.59 1vs8 n MET 118 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1vs8 h PHE 119 N 0.00 0.48 0.00 1.12 3.04 -1.73 -2.92 116.94 116.93 1vs8 h PHE 119 Ca -0.23 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.68 1vs8 h PHE 119 Cb 1.48 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.85 1vs8 h PHE 119 CO 0.00 0.49 0.45 -0.09 -2.02 0.00 0.00 178.31 177.14 1vs8 h ARG 120 N 0.33 0.00 -1.35 1.11 9.65 -1.83 -1.35 114.38 120.94 1vs8 h ARG 120 Ca 0.10 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.74 1vs8 h ARG 120 Cb 0.23 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.70 1vs8 h ARG 120 CO -0.00 0.00 0.30 1.63 2.80 0.00 0.00 179.97 184.70 1vs8 n LYS 121 N -2.37 1.58 0.01 0.20 4.01 -1.10 -4.14 118.16 116.34 1vs8 n LYS 121 Ca -0.01 -1.22 0.00 0.00 -0.51 0.00 0.00 58.31 56.57 1vs8 n LYS 121 Cb 0.47 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1vs8 n LYS 121 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1vs8 n LEU 122 N 0.26 0.26 -1.92 -0.35 4.77 -0.51 -0.09 117.00 119.44 1vs8 n LEU 122 Ca 0.24 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.23 1vs8 n LEU 122 Cb 0.73 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 1vs8 n LEU 122 CO 0.28 -0.18 -0.32 0.29 -1.33 0.00 0.00 177.39 176.12 1vs8 n LYS 123 N -3.12 -2.66 0.00 3.23 4.01 -1.26 -3.09 118.16 115.27 1vs8 n LYS 123 Ca 0.00 2.19 0.00 0.00 -0.51 0.00 0.00 58.31 59.99 1vs8 n LYS 123 Cb 0.38 -3.01 0.00 0.00 -0.51 0.00 0.00 35.03 31.89 1vs8 n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1vs8 n VAL 124 N 0.96 0.00 -1.56 -0.18 0.24 -1.26 -3.48 118.33 113.05 1vs8 n VAL 124 Ca -0.12 0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 1vs8 n VAL 124 Cb 0.19 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 1vs8 n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1vs8 n TYR 125 N 0.00 -2.87 -2.19 6.34 4.01 -1.26 -4.49 117.16 116.69 1vs8 n TYR 125 Ca 0.00 1.72 -0.22 0.00 -0.16 0.00 0.00 57.90 59.24 1vs8 n TYR 125 Cb 0.00 -3.02 0.02 0.00 -0.31 0.00 0.00 39.34 36.02 1vs8 n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vs8 n ALA 126 N 1.09 4.80 -2.70 -0.72 0.00 -1.18 -3.62 120.51 118.18 1vs8 n ALA 126 Ca 0.00 -3.80 -0.07 0.00 0.00 0.00 0.00 53.44 49.57 1vs8 n ALA 126 Cb 0.00 -0.42 0.10 0.00 0.00 0.00 0.00 19.45 19.12 1vs8 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs8 n GLY 127 N -0.64 0.88 5.84 0.00 0.00 -1.23 -4.65 105.19 105.39 1vs8 n GLY 127 Ca 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1vs8 n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vs8 n ASN 128 N -0.43 0.00 -4.51 1.61 0.23 -1.26 -3.55 115.26 107.35 1vs8 n ASN 128 Ca -0.05 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.87 1vs8 n ASN 128 Cb 0.80 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.40 1vs8 n ASN 128 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1vs8 n GLU 129 N 4.09 0.17 -3.97 -3.83 -0.58 -1.26 -4.53 120.64 110.73 1vs8 n GLU 129 Ca 0.00 -1.28 -0.09 0.00 -0.42 0.00 0.00 57.16 55.37 1vs8 n GLU 129 Cb 0.00 -3.46 -0.11 0.00 -0.57 0.00 0.00 31.44 27.29 1vs8 n GLU 129 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1vs8 s HIS 130 N 14.39 0.23 -0.90 -0.32 3.76 -1.23 -4.86 115.29 126.36 1vs8 s HIS 130 Ca 0.77 -0.47 -0.08 0.00 -0.15 0.00 0.00 55.06 55.12 1vs8 s HIS 130 Cb -0.09 -0.17 0.08 0.00 1.11 0.00 0.00 32.58 33.51 1vs8 s HIS 130 CO 0.16 -0.18 0.21 0.09 -0.85 0.00 0.00 174.74 174.17 1vs8 n ASN 131 N 1.71 -0.49 0.00 1.40 3.02 -1.26 -4.59 115.26 115.06 1vs8 n ASN 131 Ca -0.23 -0.63 0.01 0.00 -0.03 0.00 0.00 54.58 53.69 1vs8 n ASN 131 Cb 0.55 -0.80 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1vs8 n ASN 131 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1vs8 n HIS 132 N -2.45 0.00 0.09 3.10 -0.00 -1.26 -2.95 115.22 111.75 1vs8 n HIS 132 Ca -0.01 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.36 1vs8 n HIS 132 Cb 0.27 0.00 0.75 0.00 -0.12 0.00 0.00 29.99 30.88 1vs8 n HIS 132 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1vs8 h ALA 133 N 1.54 2.17 -0.13 1.57 0.00 -1.94 0.67 119.26 123.15 1vs8 h ALA 133 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1vs8 h ALA 133 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1vs8 h ALA 133 CO 0.00 -0.53 0.83 0.00 0.00 0.00 0.00 179.25 179.55 1vs8 h ALA 134 N 1.68 1.95 0.00 0.00 0.00 -1.90 -2.63 119.26 118.36 1vs8 h ALA 134 Ca 0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1vs8 h ALA 134 Cb 0.85 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1vs8 h ALA 134 CO -0.00 -0.90 0.17 0.94 0.00 0.00 0.00 179.25 179.45 1vs8 n GLN 135 N -2.73 0.10 -0.34 0.00 -0.06 -0.36 -5.03 117.38 108.95 1vs8 n GLN 135 Ca 0.02 -0.47 0.14 0.00 -2.00 0.00 0.00 57.00 54.70 1vs8 n GLN 135 Cb 0.89 0.01 0.33 0.00 -4.06 0.00 0.00 30.24 27.41 1vs8 n GLN 135 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 1vs8 h GLN 136 N 0.80 0.65 0.00 3.69 5.75 0.68 -3.26 115.11 123.42 1vs8 h GLN 136 Ca -0.45 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1vs8 h GLN 136 Cb 1.18 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.58 1vs8 h GLN 136 CO -0.17 0.43 0.00 -2.30 -2.65 0.00 0.00 178.83 174.14 1vs8 n PRO 137 N -4.83 0.00 -4.26 -2.39 -0.02 -1.26 -4.79 135.00 117.44 1vs8 n PRO 137 Ca 0.24 0.42 -0.28 0.00 -2.02 0.00 0.00 63.50 61.86 1vs8 n PRO 137 Cb 0.62 -1.07 -0.09 0.00 -0.02 0.00 0.00 33.50 32.94 1vs8 n PRO 137 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1vs8 s GLN 138 N -1.29 2.08 0.00 -0.52 -1.52 -1.23 -5.12 119.66 112.07 1vs8 s GLN 138 Ca 0.00 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 1vs8 s GLN 138 Cb 0.00 -2.22 0.00 0.00 -0.22 0.00 0.00 33.01 30.57 1vs8 s GLN 138 CO 0.00 0.46 0.00 1.33 -0.25 0.00 0.00 175.29 176.83 1vs8 n VAL 139 N 0.30 0.00 -0.76 1.09 0.24 -1.26 -4.77 118.33 113.18 1vs8 n VAL 139 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1vs8 n VAL 139 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1vs8 n VAL 139 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58