#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e s LEU 2 N 0.00 3.45 0.33 -0.89 2.34 -1.26 -5.09 118.68 117.55 3i9e s LEU 2 Ca 0.00 -0.91 0.03 0.00 0.06 0.00 0.00 54.13 53.31 3i9e s LEU 2 Cb 0.00 -1.71 -0.04 0.00 -0.56 0.00 0.00 46.19 43.88 3i9e s LEU 2 CO 0.00 -0.16 0.14 0.00 -1.06 0.00 0.00 176.35 175.27 3i9e s MET 3 N 1.34 1.68 0.16 1.48 0.23 -1.26 -4.55 119.30 118.38 3i9e s MET 3 Ca -0.00 -1.97 -0.30 0.00 -1.03 0.00 0.00 55.69 52.38 3i9e s MET 3 Cb -0.17 -0.29 -0.07 0.00 -1.53 0.00 0.00 34.83 32.77 3i9e s MET 3 CO -0.03 -0.43 1.03 -2.14 -2.03 0.00 0.00 175.02 171.42 3i9e s PRO 4 N -3.79 4.66 0.09 3.16 0.02 -1.26 -5.03 135.00 132.84 3i9e s PRO 4 Ca 0.33 1.59 -0.24 0.00 0.02 0.00 0.00 61.00 62.69 3i9e s PRO 4 Cb 0.05 -3.32 -0.07 0.00 0.02 0.00 0.00 34.50 31.18 3i9e s PRO 4 CO 0.17 0.17 0.74 -0.98 -0.33 0.00 0.00 177.00 176.77 3i9e s ARG 5 N -0.28 4.49 0.16 5.54 1.70 -1.26 -4.78 118.95 124.52 3i9e s ARG 5 Ca 0.48 1.06 0.00 0.00 -0.47 0.00 0.00 55.73 56.79 3i9e s ARG 5 Cb -0.27 -3.31 0.00 0.00 -0.57 0.00 0.00 34.95 30.80 3i9e s ARG 5 CO 0.32 0.43 0.00 -2.13 -1.08 0.00 0.00 175.30 172.85 3i9e n ARG 6 N 2.23 -2.52 -4.30 3.89 0.63 -1.26 -5.06 116.66 110.26 3i9e n ARG 6 Ca -0.05 1.81 -0.16 0.00 -0.92 0.00 0.00 57.85 58.53 3i9e n ARG 6 Cb 0.50 -2.25 -0.10 0.00 0.45 0.00 0.00 32.46 31.05 3i9e n ARG 6 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3i9e s MET 7 N -1.13 1.37 -0.07 -0.14 -1.94 -1.26 -5.06 119.30 111.07 3i9e s MET 7 Ca 0.00 -1.74 0.09 0.00 -1.71 0.00 0.00 55.69 52.33 3i9e s MET 7 Cb 0.00 -0.20 -0.24 0.00 2.01 0.00 0.00 34.83 36.40 3i9e s MET 7 CO 0.00 -0.30 0.54 1.17 -0.01 0.00 0.00 175.02 176.42 3i9e n LYS 8 N -0.43 0.66 -3.82 2.03 4.81 -1.26 -4.91 118.16 115.24 3i9e n LYS 8 Ca -0.00 0.26 -0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3i9e n LYS 8 Cb 0.66 -1.75 -0.14 0.00 0.02 0.00 0.00 35.03 33.82 3i9e n LYS 8 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i9e s TYR 9 N -2.58 -0.05 0.02 5.64 4.12 -1.26 -5.14 117.35 118.09 3i9e s TYR 9 Ca -0.09 0.19 0.01 0.00 0.02 0.00 0.00 57.07 57.20 3i9e s TYR 9 Cb 0.08 -0.05 -0.04 0.00 -1.52 0.00 0.00 41.96 40.42 3i9e s TYR 9 CO 0.81 -0.06 0.08 -0.98 0.02 0.00 0.00 175.55 175.42 3i9e s ARG 10 N 0.43 3.01 -0.04 -0.62 1.70 -1.26 -4.84 118.95 117.33 3i9e s ARG 10 Ca -0.03 -0.54 -0.03 0.00 -0.47 0.00 0.00 55.73 54.65 3i9e s ARG 10 Cb -0.05 -2.82 0.01 0.00 -0.57 0.00 0.00 34.95 31.53 3i9e s ARG 10 CO -0.02 0.62 0.05 1.63 -1.08 0.00 0.00 175.30 176.51 3i9e n LYS 11 N 1.00 -1.22 -4.31 3.89 5.02 -1.26 -5.07 118.16 116.21 3i9e n LYS 11 Ca -0.12 1.28 -0.18 0.00 -2.02 0.00 0.00 58.31 57.27 3i9e n LYS 11 Cb 0.52 -1.97 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 3i9e n LYS 11 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3i9e s GLN 12 N -1.05 0.75 1.00 1.97 -2.07 -1.26 -5.04 119.66 113.97 3i9e s GLN 12 Ca -0.06 -0.52 -0.20 0.00 -1.82 0.00 0.00 55.36 52.76 3i9e s GLN 12 Cb 0.00 -0.71 -0.13 0.00 -1.09 0.00 0.00 33.01 31.09 3i9e s GLN 12 CO 0.17 0.18 -0.87 1.04 -1.32 0.00 0.00 175.29 174.49 3i9e n GLN 13 N 2.36 -0.15 -0.08 9.60 6.02 -1.26 -4.83 117.38 129.05 3i9e n GLN 13 Ca -0.16 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.65 3i9e n GLN 13 Cb 0.56 -1.14 -0.05 0.00 1.02 0.00 0.00 30.24 30.63 3i9e n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i9e h ARG 14 N -1.14 0.74 0.00 -1.09 3.08 -2.00 -3.49 114.38 110.48 3i9e h ARG 14 Ca -0.43 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.17 3i9e h ARG 14 Cb 1.34 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3i9e h ARG 14 CO 0.25 1.08 0.00 0.41 -1.07 0.00 0.00 179.97 180.64 3i9e n GLY 15 N 0.33 0.07 3.62 0.04 0.00 -1.26 -4.93 105.19 103.06 3i9e n GLY 15 Ca -0.05 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 3i9e n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9e s ARG 16 N 0.00 0.83 -1.06 1.61 3.52 -1.26 -5.05 118.95 117.53 3i9e s ARG 16 Ca 0.00 1.00 -0.06 0.00 -0.13 0.00 0.00 55.73 56.55 3i9e s ARG 16 Cb 0.00 0.39 0.06 0.00 -1.56 0.00 0.00 34.95 33.84 3i9e s ARG 16 CO 0.00 -0.10 2.63 1.28 -0.81 0.00 0.00 175.30 178.30 3i9e n LEU 17 N 2.77 7.57 0.00 -0.88 4.32 -1.26 -4.91 117.00 124.61 3i9e n LEU 17 Ca -0.14 -4.52 0.00 0.00 -0.02 0.00 0.00 56.01 51.33 3i9e n LEU 17 Cb 0.55 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 3i9e n LEU 17 CO 0.03 1.96 0.00 0.29 -1.22 0.00 0.00 177.39 178.45 3i9e n LYS 18 N 1.77 0.00 -1.58 3.23 5.02 -1.26 -4.74 118.16 120.60 3i9e n LYS 18 Ca 0.60 0.00 -0.49 0.00 -2.02 0.00 0.00 58.31 56.40 3i9e n LYS 18 Cb 0.36 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.33 3i9e n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9e n GLY 19 N 0.00 0.17 3.57 0.72 0.00 -1.26 -4.88 105.19 103.51 3i9e n GLY 19 Ca 0.00 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 3i9e n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9e s ALA 20 N -0.05 3.18 0.00 4.61 0.00 -1.26 -4.91 121.76 123.33 3i9e s ALA 20 Ca 0.75 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3i9e s ALA 20 Cb -0.86 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 18.50 3i9e s ALA 20 CO 0.51 -2.20 0.00 0.25 0.00 0.00 0.00 175.76 174.32 3i9e n THR 21 N 6.56 0.00 0.00 0.00 -2.24 -1.21 -4.69 114.28 112.70 3i9e n THR 21 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3i9e n THR 21 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3i9e n THR 21 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i9e n LYS 22 N 0.00 0.00 0.00 -0.78 2.85 -1.26 -4.55 118.16 114.42 3i9e n LYS 22 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i9e n LYS 22 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i9e n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i9e n GLY 23 N 0.00 0.39 0.00 2.58 0.00 -1.26 -4.75 105.19 102.14 3i9e n GLY 23 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3i9e n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 24 N 0.00 -0.36 4.69 -0.02 0.00 -1.26 -4.63 105.19 103.61 3i9e n GLY 24 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i9e n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i9e n ASP 25 N -0.10 0.00 -1.15 1.61 2.03 -1.18 -4.55 116.55 113.21 3i9e n ASP 25 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 3i9e n ASP 25 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 3i9e n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i9e n TYR 26 N -1.11 0.00 -1.27 -0.67 -0.00 -1.26 -4.88 117.16 107.96 3i9e n TYR 26 Ca 0.00 -0.35 0.13 0.00 -0.00 0.00 0.00 57.90 57.67 3i9e n TYR 26 Cb 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.34 39.23 3i9e n TYR 26 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 3i9e n VAL 27 N 0.30 -0.88 -0.69 -3.48 3.14 -1.26 -4.94 118.33 110.51 3i9e n VAL 27 Ca 0.01 0.79 0.00 0.00 -2.96 0.00 0.00 64.34 62.18 3i9e n VAL 27 Cb 0.96 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.54 3i9e n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i9e n ALA 28 N -3.95 0.21 0.03 1.55 0.00 -1.26 -5.07 120.51 112.02 3i9e n ALA 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i9e n ALA 28 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i9e n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i9e n PHE 29 N 0.00 -0.58 -1.94 0.00 3.01 -1.26 -5.14 117.46 111.56 3i9e n PHE 29 Ca 0.00 0.10 -0.23 0.00 1.01 0.00 0.00 57.45 58.33 3i9e n PHE 29 Cb 0.14 0.47 0.15 0.00 -0.01 0.00 0.00 39.48 40.23 3i9e n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i9e n GLY 30 N 1.72 -0.94 0.44 1.37 0.00 -1.25 -4.90 105.19 101.63 3i9e n GLY 30 Ca 0.00 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.37 3i9e n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i9e n ASP 31 N -3.52 1.37 -3.63 1.61 8.00 0.31 -4.84 116.55 115.85 3i9e n ASP 31 Ca 0.14 -1.51 -0.11 0.00 0.71 0.00 0.00 54.79 54.01 3i9e n ASP 31 Cb 0.47 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 3i9e n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i9e s TYR 32 N -1.94 -0.67 0.35 1.24 2.02 -1.05 -4.39 117.35 112.91 3i9e s TYR 32 Ca 0.37 1.60 0.04 0.00 -0.37 0.00 0.00 57.07 58.71 3i9e s TYR 32 Cb 0.20 0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 42.05 3i9e s TYR 32 CO 0.32 -0.32 0.14 0.20 -1.57 0.00 0.00 175.55 174.31 3i9e s GLY 33 N 0.40 2.29 -0.19 0.71 0.00 -0.57 0.08 107.32 110.04 3i9e s GLY 33 Ca 0.01 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.13 3i9e s GLY 33 CO -0.03 -1.71 -0.16 -2.27 0.00 0.00 0.00 173.10 168.93 3i9e s LEU 34 N -3.48 2.31 -0.08 0.66 2.96 -1.14 -1.62 118.68 118.29 3i9e s LEU 34 Ca 0.31 -0.79 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3i9e s LEU 34 Cb 0.04 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 3i9e s LEU 34 CO 0.16 -0.06 -0.16 0.54 -1.32 0.00 0.00 176.35 175.51 3i9e s VAL 35 N 1.30 2.88 0.49 1.68 0.11 -0.96 -0.05 120.40 125.86 3i9e s VAL 35 Ca 0.02 -0.76 -0.13 0.00 -2.93 0.00 0.00 61.98 58.17 3i9e s VAL 35 Cb -0.15 -2.15 -0.07 0.00 -1.53 0.00 0.00 36.38 32.49 3i9e s VAL 35 CO -0.11 0.56 0.91 0.00 -3.33 0.00 0.00 175.10 173.14 3i9e s ALA 36 N -0.23 3.18 0.00 1.54 0.00 -0.76 -2.10 121.76 123.39 3i9e s ALA 36 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3i9e s ALA 36 Cb -0.13 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3i9e s ALA 36 CO 0.03 -0.24 0.37 1.28 0.00 0.00 0.00 175.76 177.20 3i9e n LEU 37 N -1.71 0.75 -3.92 0.00 4.77 -0.96 -2.18 117.00 113.75 3i9e n LEU 37 Ca 0.05 -0.80 -0.18 0.00 -0.03 0.00 0.00 56.01 55.05 3i9e n LEU 37 Cb 0.54 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 3i9e n LEU 37 CO 0.49 0.19 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.72 3i9e s GLU 38 N -0.09 0.59 0.18 3.23 2.02 -1.26 -4.75 118.70 118.62 3i9e s GLU 38 Ca 0.00 -0.13 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 3i9e s GLU 38 Cb 0.00 -0.61 -0.08 0.00 0.10 0.00 0.00 34.13 33.54 3i9e s GLU 38 CO 0.00 0.01 1.15 -1.25 0.02 0.00 0.00 175.26 175.19 3i9e s PRO 39 N 0.43 4.54 0.31 0.39 0.04 -1.26 -4.48 135.00 134.97 3i9e s PRO 39 Ca -0.05 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 3i9e s PRO 39 Cb -0.09 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.22 3i9e s PRO 39 CO -0.00 -0.00 0.50 0.00 0.04 0.00 0.00 177.00 177.53 3i9e n ALA 40 N 2.42 -0.72 -3.74 8.56 0.00 0.76 -4.98 120.51 122.82 3i9e n ALA 40 Ca 0.03 -1.25 -0.34 0.00 0.00 0.00 0.00 53.44 51.88 3i9e n ALA 40 Cb 0.45 1.01 -0.14 0.00 0.00 0.00 0.00 19.45 20.77 3i9e n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i9e s TRP 41 N -3.29 3.12 -0.18 0.00 0.51 -1.26 -1.74 118.94 116.09 3i9e s TRP 41 Ca 0.20 -1.68 -0.18 0.00 -2.12 0.00 0.00 56.10 52.33 3i9e s TRP 41 Cb -0.02 -2.06 -0.04 0.00 -0.81 0.00 0.00 33.47 30.55 3i9e s TRP 41 CO 0.15 -0.76 0.47 0.42 -0.51 0.00 0.00 176.95 176.72 3i9e s ILE 42 N 1.29 5.15 0.40 2.03 1.09 -0.36 -4.87 121.20 125.93 3i9e s ILE 42 Ca -0.02 0.88 -0.24 0.00 -1.10 0.00 0.00 60.65 60.17 3i9e s ILE 42 Cb -0.17 -3.80 -0.09 0.00 -1.06 0.00 0.00 42.46 37.34 3i9e s ILE 42 CO -0.04 0.24 1.05 0.42 -0.10 0.00 0.00 174.94 176.51 3i9e s THR 43 N 1.29 3.71 0.43 2.92 -4.23 -1.26 -0.23 115.64 118.28 3i9e s THR 43 Ca 0.23 1.32 0.14 0.00 -1.18 0.00 0.00 61.69 62.20 3i9e s THR 43 Cb -0.15 -3.69 0.33 0.00 1.34 0.00 0.00 72.50 70.33 3i9e s THR 43 CO 0.09 0.02 1.98 0.00 -0.54 0.00 0.00 174.62 176.17 3i9e h ALA 44 N 2.53 2.01 -0.22 3.99 0.00 -1.74 0.81 119.26 126.64 3i9e h ALA 44 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i9e h ALA 44 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i9e h ALA 44 CO 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3i9e n GLN 45 N -4.47 1.54 -0.10 0.00 0.00 -1.26 -2.48 117.38 110.62 3i9e n GLN 45 Ca 0.10 -0.84 -0.16 0.00 0.00 0.00 0.00 57.00 56.09 3i9e n GLN 45 Cb 0.37 -1.21 -0.08 0.00 0.00 0.00 0.00 30.24 29.32 3i9e n GLN 45 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 3i9e n GLN 46 N 0.16 0.44 0.22 2.61 7.27 0.26 -3.80 117.38 124.55 3i9e n GLN 46 Ca 0.09 0.14 -0.13 0.00 0.07 0.00 0.00 57.00 57.17 3i9e n GLN 46 Cb 0.21 -1.30 -0.07 0.00 2.41 0.00 0.00 30.24 31.48 3i9e n GLN 46 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3i9e h ILE 47 N -0.29 0.00 -0.56 1.69 2.04 -1.05 -1.56 117.51 117.78 3i9e h ILE 47 Ca -0.45 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.50 3i9e h ILE 47 Cb 1.56 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 3i9e h ILE 47 CO -0.16 0.00 0.16 -0.08 0.00 0.00 0.00 178.15 178.07 3i9e h GLU 48 N -0.74 0.30 -0.35 2.37 4.57 -1.74 0.66 114.58 119.66 3i9e h GLU 48 Ca -0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3i9e h GLU 48 Cb 0.63 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 3i9e h GLU 48 CO -0.03 0.20 0.17 0.00 -1.18 0.00 0.00 179.01 178.17 3i9e h ALA 49 N 1.41 1.64 0.00 2.92 0.00 -1.63 -1.22 119.26 122.38 3i9e h ALA 49 Ca 0.28 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3i9e h ALA 49 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3i9e h ALA 49 CO -0.33 0.30 -0.64 0.00 0.00 0.00 0.00 179.25 178.58 3i9e h ALA 50 N 1.70 0.73 0.08 0.00 0.00 -0.11 -3.10 119.26 118.55 3i9e h ALA 50 Ca 0.12 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i9e h ALA 50 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i9e h ALA 50 CO -0.02 0.79 -0.04 -0.09 0.00 0.00 0.00 179.25 179.90 3i9e h ARG 51 N 0.00 -0.10 0.09 0.00 2.43 0.18 -2.90 114.38 114.08 3i9e h ARG 51 Ca -0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3i9e h ARG 51 Cb 1.31 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.83 3i9e h ARG 51 CO 0.08 0.39 -0.53 0.28 -1.51 0.00 0.00 179.97 178.69 3i9e h VAL 52 N -0.65 0.01 -0.74 0.20 2.07 -1.38 -0.32 116.25 115.45 3i9e h VAL 52 Ca -0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.71 3i9e h VAL 52 Cb 0.54 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 3i9e h VAL 52 CO 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 3i9e n ALA 53 N -2.94 0.36 -0.43 1.67 0.00 -1.17 0.12 120.51 118.12 3i9e n ALA 53 Ca -0.08 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.15 3i9e n ALA 53 Cb 0.41 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3i9e n ALA 53 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i9e n MET 54 N -5.04 0.00 -0.16 0.00 0.00 -0.21 -1.89 117.12 109.82 3i9e n MET 54 Ca 0.17 0.29 -0.06 0.00 0.00 0.00 0.00 57.70 58.10 3i9e n MET 54 Cb 0.55 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.57 3i9e n MET 54 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 3i9e h VAL 55 N 0.00 0.23 -1.05 1.12 3.04 -0.31 0.19 116.25 119.47 3i9e h VAL 55 Ca 0.00 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 65.97 3i9e h VAL 55 Cb 0.00 0.23 -0.12 0.00 -2.01 0.00 0.00 31.29 29.40 3i9e h VAL 55 CO 0.00 0.00 0.65 -0.09 -1.01 0.00 0.00 177.57 177.12 3i9e h ARG 56 N -0.18 0.41 0.00 4.17 9.65 0.87 -2.86 114.38 126.45 3i9e h ARG 56 Ca 0.21 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 3i9e h ARG 56 Cb 0.53 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3i9e h ARG 56 CO -0.60 0.27 0.00 1.58 2.80 0.00 0.00 179.97 184.02 3i9e n HIS 57 N -4.78 0.00 -0.83 2.20 -0.00 0.64 -3.36 115.22 109.09 3i9e n HIS 57 Ca 0.28 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.28 3i9e n HIS 57 Cb 0.90 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.69 3i9e n HIS 57 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 3i9e n PHE 58 N -0.31 0.81 -0.00 1.57 1.16 -1.16 -4.85 117.46 114.68 3i9e n PHE 58 Ca 0.00 -1.69 0.00 0.00 -1.87 0.00 0.00 57.45 53.89 3i9e n PHE 58 Cb 0.00 -1.60 0.00 0.00 -1.61 0.00 0.00 39.48 36.27 3i9e n PHE 58 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3i9e n ARG 59 N 3.26 0.00 -3.71 3.97 3.00 -1.09 -0.10 116.66 121.99 3i9e n ARG 59 Ca 0.43 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 58.02 3i9e n ARG 59 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.90 3i9e n ARG 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i9e n ARG 60 N 0.12 -1.26 0.00 5.56 5.12 -1.23 -4.98 116.66 119.98 3i9e n ARG 60 Ca 0.00 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 3i9e n ARG 60 Cb 0.00 -3.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.17 3i9e n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i9e n GLY 61 N -1.74 0.69 0.00 -0.13 0.00 0.86 -5.11 105.19 99.76 3i9e n GLY 61 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i9e n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 62 N 5.00 1.10 3.41 -0.02 0.00 -1.26 -5.06 105.19 108.36 3i9e n GLY 62 Ca 0.00 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3i9e n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9e s LYS 63 N 1.66 3.53 -0.02 1.61 2.20 -1.17 -5.01 119.74 122.55 3i9e s LYS 63 Ca 0.00 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 3i9e s LYS 63 Cb 0.00 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 3i9e s LYS 63 CO 0.00 0.06 0.11 0.42 -0.36 0.00 0.00 175.35 175.58 3i9e s ILE 64 N 0.83 4.95 -0.12 5.43 1.01 -1.26 -1.96 121.20 130.09 3i9e s ILE 64 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3i9e s ILE 64 Cb -0.15 -3.26 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 3i9e s ILE 64 CO 0.02 0.38 -0.09 0.49 0.00 0.00 0.00 174.94 175.74 3i9e n PHE 65 N 1.24 0.00 0.00 3.97 3.72 0.17 -5.00 117.46 121.56 3i9e n PHE 65 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3i9e n PHE 65 Cb 0.53 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3i9e n PHE 65 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3i9e n ILE 66 N -2.78 0.00 0.00 4.37 -5.35 0.08 -4.85 119.36 110.83 3i9e n ILE 66 Ca -0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 3i9e n ILE 66 Cb 0.74 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 3i9e n ILE 66 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3i9e n ARG 67 N 0.00 0.00 -4.13 6.28 1.74 -1.26 0.19 116.66 119.48 3i9e n ARG 67 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 3i9e n ARG 67 Cb 0.00 -2.05 -0.06 0.00 -1.02 0.00 0.00 32.46 29.33 3i9e n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3i9e s ILE 68 N -1.58 3.46 -0.23 0.55 -4.36 -1.26 -4.93 121.20 112.85 3i9e s ILE 68 Ca 0.00 -1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 58.59 3i9e s ILE 68 Cb 0.00 -3.03 0.07 0.00 1.25 0.00 0.00 42.46 40.75 3i9e s ILE 68 CO 0.00 -0.27 0.55 0.12 0.24 0.00 0.00 174.94 175.58 3i9e s PHE 69 N -2.33 -0.86 -0.33 1.37 5.36 -1.26 -5.05 117.98 114.88 3i9e s PHE 69 Ca 0.35 1.74 -0.29 0.00 -0.96 0.00 0.00 56.93 57.77 3i9e s PHE 69 Cb -0.05 0.46 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 3i9e s PHE 69 CO 0.23 -0.45 1.37 -1.25 -1.46 0.00 0.00 175.22 173.65 3i9e s PRO 70 N 1.65 3.78 -0.00 10.12 0.04 -1.26 -4.35 135.00 144.97 3i9e s PRO 70 Ca -0.09 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.13 3i9e s PRO 70 Cb -0.07 -3.95 0.01 0.00 0.04 0.00 0.00 34.50 30.53 3i9e s PRO 70 CO -0.16 -1.30 0.78 -0.40 0.04 0.00 0.00 177.00 175.96 3i9e n ASP 71 N 8.14 0.16 -4.51 6.66 3.85 -0.83 -4.44 116.55 125.59 3i9e n ASP 71 Ca 0.16 -1.60 -0.38 0.00 -0.71 0.00 0.00 54.79 52.25 3i9e n ASP 71 Cb 0.47 -0.11 -0.11 0.00 -1.35 0.00 0.00 41.12 40.01 3i9e n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3i9e s LYS 72 N -0.15 3.63 -0.26 0.11 2.47 -0.60 -4.95 119.74 119.98 3i9e s LYS 72 Ca 0.01 -0.53 -0.29 0.00 -1.56 0.00 0.00 55.97 53.60 3i9e s LYS 72 Cb 0.01 -3.62 -0.02 0.00 -1.46 0.00 0.00 37.83 32.75 3i9e s LYS 72 CO 0.00 -0.31 1.55 -2.14 0.16 0.00 0.00 175.35 174.61 3i9e s PRO 73 N 1.69 3.75 -0.52 4.03 0.02 -1.26 -1.81 135.00 140.90 3i9e s PRO 73 Ca 0.06 1.49 -0.20 0.00 0.02 0.00 0.00 61.00 62.37 3i9e s PRO 73 Cb -0.16 -4.02 0.06 0.00 0.02 0.00 0.00 34.50 30.39 3i9e s PRO 73 CO 0.08 -1.34 0.69 -0.47 -0.33 0.00 0.00 177.00 175.64 3i9e s TYR 74 N 5.22 2.99 0.43 6.54 5.04 0.39 -4.35 117.35 133.61 3i9e s TYR 74 Ca 0.68 -0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 54.82 3i9e s TYR 74 Cb -0.22 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.39 3i9e s TYR 74 CO 0.29 -1.11 0.68 0.95 -1.34 0.00 0.00 175.55 175.01 3i9e s THR 75 N 2.89 4.88 -0.22 4.34 -4.23 -1.22 -3.60 115.64 118.48 3i9e s THR 75 Ca 0.18 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.43 3i9e s THR 75 Cb -0.18 -3.82 0.07 0.00 1.34 0.00 0.00 72.50 69.91 3i9e s THR 75 CO 0.13 -0.68 0.52 -0.75 -0.54 0.00 0.00 174.62 173.31 3i9e s LYS 76 N -4.56 0.51 0.56 3.99 2.47 0.21 -4.92 119.74 118.00 3i9e s LYS 76 Ca 0.45 1.00 -0.17 0.00 -1.56 0.00 0.00 55.97 55.68 3i9e s LYS 76 Cb -0.10 0.11 -0.05 0.00 -1.46 0.00 0.00 37.83 36.33 3i9e s LYS 76 CO 0.41 -0.17 1.06 0.21 0.16 0.00 0.00 175.35 177.02 3i9e s LYS 77 N 1.67 3.43 -1.15 4.03 2.20 -1.26 -3.11 119.74 125.54 3i9e s LYS 77 Ca -0.09 1.31 -0.06 0.00 -0.36 0.00 0.00 55.97 56.78 3i9e s LYS 77 Cb -0.08 -2.04 0.26 0.00 -1.51 0.00 0.00 37.83 34.46 3i9e s LYS 77 CO -0.16 -0.74 1.67 -0.35 -0.36 0.00 0.00 175.35 175.42 3i9e n PRO 78 N -1.66 4.28 -1.51 4.03 -0.04 -1.26 -4.78 135.00 134.06 3i9e n PRO 78 Ca 0.09 -4.19 -0.11 0.00 -0.04 0.00 0.00 63.50 59.26 3i9e n PRO 78 Cb 0.52 -2.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.30 3i9e n PRO 78 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i9e n LEU 79 N 2.05 -0.94 0.00 1.53 -0.00 -1.26 -4.93 117.00 113.45 3i9e n LEU 79 Ca 0.33 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 3i9e n LEU 79 Cb 0.33 -1.73 0.00 0.00 -0.00 0.00 0.00 43.42 42.02 3i9e n LEU 79 CO 0.74 -0.47 0.00 -0.62 -0.00 0.00 0.00 177.39 177.05 3i9e n GLU 80 N -2.55 0.00 0.00 1.96 4.71 -1.26 -5.18 120.64 118.32 3i9e n GLU 80 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 3i9e n GLU 80 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 3i9e n GLU 80 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 3i9e n VAL 81 N 0.00 0.00 -1.44 2.62 0.24 -1.26 -5.12 118.33 113.37 3i9e n VAL 81 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i9e n VAL 81 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i9e n VAL 81 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i9e n ARG 82 N 0.00 0.00 -2.85 7.34 5.12 -1.26 -5.11 116.66 119.90 3i9e n ARG 82 Ca 0.00 -0.13 -0.39 0.00 -1.93 0.00 0.00 57.85 55.40 3i9e n ARG 82 Cb 0.00 -0.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.96 3i9e n ARG 82 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3i9e s MET 83 N 0.00 4.71 1.46 5.56 -1.94 -1.26 -4.92 119.30 122.91 3i9e s MET 83 Ca 0.00 1.33 0.00 0.00 -1.71 0.00 0.00 55.69 55.31 3i9e s MET 83 Cb 0.00 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.62 3i9e s MET 83 CO 0.00 0.52 0.00 0.41 -0.01 0.00 0.00 175.02 175.94 3i9e n GLY 84 N 1.43 -0.35 3.96 -0.03 0.00 -1.26 -4.84 105.19 104.09 3i9e n GLY 84 Ca -0.03 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 3i9e n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9e s LYS 85 N 0.00 3.22 -1.03 1.61 2.36 -1.26 -4.99 119.74 119.66 3i9e s LYS 85 Ca 0.00 -0.92 -0.25 0.00 -2.55 0.00 0.00 55.97 52.25 3i9e s LYS 85 Cb 0.00 -2.81 -0.15 0.00 -1.05 0.00 0.00 37.83 33.83 3i9e s LYS 85 CO 0.00 0.27 2.10 0.20 1.55 0.00 0.00 175.35 179.47 3i9e s GLY 86 N -4.04 -0.54 0.23 5.54 0.00 -1.26 -4.67 107.32 102.57 3i9e s GLY 86 Ca 0.39 -1.53 0.08 0.00 0.00 0.00 0.00 44.72 43.65 3i9e s GLY 86 CO 0.29 3.97 1.06 1.17 0.00 0.00 0.00 173.10 179.59 3i9e n LYS 87 N 8.43 0.05 -0.11 2.90 4.81 -1.26 -3.61 118.16 129.37 3i9e n LYS 87 Ca 0.43 0.46 -0.03 0.00 -0.87 0.00 0.00 58.31 58.30 3i9e n LYS 87 Cb 0.46 -2.02 -0.00 0.00 0.02 0.00 0.00 35.03 33.49 3i9e n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9e n GLY 88 N -1.26 1.81 0.12 3.14 0.00 -1.18 -4.18 105.19 103.64 3i9e n GLY 88 Ca -0.01 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3i9e n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9e n ASN 89 N 4.66 0.44 0.00 1.61 3.02 -1.24 0.64 115.26 124.40 3i9e n ASN 89 Ca 0.07 0.69 0.00 0.00 -0.03 0.00 0.00 54.58 55.30 3i9e n ASN 89 Cb 0.03 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 3i9e n ASN 89 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3i9e n VAL 90 N -2.07 0.00 -0.15 2.41 3.14 -1.26 -1.37 118.33 119.02 3i9e n VAL 90 Ca -0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 3i9e n VAL 90 Cb 0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.83 3i9e n VAL 90 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3i9e n GLU 91 N -0.19 0.31 0.00 1.45 0.00 -1.24 -4.84 120.64 116.13 3i9e n GLU 91 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.08 3i9e n GLU 91 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 29.98 3i9e n GLU 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i9e n GLY 92 N 2.23 2.21 3.37 8.31 0.00 -0.47 -4.63 105.19 116.21 3i9e n GLY 92 Ca 0.03 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 3i9e n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9e s TYR 93 N 0.00 1.80 0.08 1.61 1.51 -1.26 -0.46 117.35 120.63 3i9e s TYR 93 Ca 0.00 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 3i9e s TYR 93 Cb 0.00 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 3i9e s TYR 93 CO 0.00 0.36 -0.05 0.14 -1.11 0.00 0.00 175.55 174.89 3i9e s VAL 94 N -2.96 0.51 -0.15 0.71 -7.23 -0.75 -1.98 120.40 108.55 3i9e s VAL 94 Ca 0.25 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3i9e s VAL 94 Cb 0.00 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 3i9e s VAL 94 CO 0.09 -0.92 -0.09 0.00 -0.31 0.00 0.00 175.10 173.86 3i9e s ALA 95 N -3.73 2.77 -0.76 1.32 0.00 0.69 -1.56 121.76 120.48 3i9e s ALA 95 Ca 0.10 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 3i9e s ALA 95 Cb 0.06 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.83 3i9e s ALA 95 CO -0.07 0.16 1.27 0.54 0.00 0.00 0.00 175.76 177.66 3i9e s VAL 96 N 0.49 3.80 -0.18 0.00 0.11 -1.26 -1.23 120.40 122.12 3i9e s VAL 96 Ca -0.07 0.22 -0.09 0.00 -2.93 0.00 0.00 61.98 59.11 3i9e s VAL 96 Cb -0.15 -4.91 -0.05 0.00 -1.53 0.00 0.00 36.38 29.74 3i9e s VAL 96 CO 0.04 -1.83 0.10 -0.69 -3.33 0.00 0.00 175.10 169.39 3i9e s VAL 97 N 5.51 5.18 0.30 2.04 1.01 -0.71 -5.00 120.40 128.72 3i9e s VAL 97 Ca 0.35 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.53 3i9e s VAL 97 Cb -0.08 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3i9e s VAL 97 CO 0.12 0.47 0.02 -0.54 0.00 0.00 0.00 175.10 175.17 3i9e s LYS 98 N 0.17 2.23 0.28 2.72 1.02 -1.26 -0.17 119.74 124.73 3i9e s LYS 98 Ca 0.07 -1.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.23 3i9e s LYS 98 Cb -0.12 -2.09 -0.13 0.00 -0.52 0.00 0.00 37.83 34.98 3i9e s LYS 98 CO -0.01 0.26 1.45 -2.30 -0.92 0.00 0.00 175.35 173.84 3i9e n PRO 99 N -0.94 2.29 0.00 -1.68 -0.02 -1.26 -2.13 135.00 131.25 3i9e n PRO 99 Ca -0.05 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3i9e n PRO 99 Cb 0.60 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3i9e n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9e n GLY 100 N 1.82 2.09 3.77 -1.23 0.00 -0.93 -3.31 105.19 107.40 3i9e n GLY 100 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3i9e n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9e s ARG 101 N -0.79 4.27 -0.43 1.61 6.06 -0.91 -3.11 118.95 125.65 3i9e s ARG 101 Ca 0.00 2.28 -0.12 0.00 -2.50 0.00 0.00 55.73 55.39 3i9e s ARG 101 Cb 0.00 -3.02 0.07 0.00 0.06 0.00 0.00 34.95 32.06 3i9e s ARG 101 CO 0.00 -0.29 0.30 0.08 -2.50 0.00 0.00 175.30 172.90 3i9e s VAL 102 N -1.15 4.69 0.38 7.11 1.01 -1.26 -1.83 120.40 129.35 3i9e s VAL 102 Ca 0.50 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3i9e s VAL 102 Cb -0.41 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 3i9e s VAL 102 CO 0.55 -0.49 0.49 -0.04 0.00 0.00 0.00 175.10 175.61 3i9e s MET 103 N 1.53 2.91 2.95 2.72 1.00 0.93 -4.66 119.30 126.68 3i9e s MET 103 Ca 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 55.69 54.54 3i9e s MET 103 Cb -0.23 -2.73 0.00 0.00 0.00 0.00 0.00 34.83 31.87 3i9e s MET 103 CO 0.05 -0.10 0.00 1.19 0.00 0.00 0.00 175.02 176.15 3i9e n PHE 104 N -1.70 0.00 -0.30 -0.03 0.99 0.52 -2.89 117.46 114.05 3i9e n PHE 104 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 3i9e n PHE 104 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.07 3i9e n PHE 104 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3i9e n GLU 105 N 0.00 -0.85 -4.22 -1.08 2.13 -1.26 -0.75 120.64 114.61 3i9e n GLU 105 Ca 0.00 0.63 -0.16 0.00 0.66 0.00 0.00 57.16 58.28 3i9e n GLU 105 Cb 0.00 -0.70 -0.08 0.00 0.27 0.00 0.00 31.44 30.93 3i9e n GLU 105 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i9e s VAL 106 N -1.89 0.00 0.14 6.31 -7.23 0.11 -0.66 120.40 117.18 3i9e s VAL 106 Ca 0.00 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 58.10 3i9e s VAL 106 Cb 0.00 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.46 3i9e s VAL 106 CO 0.00 0.00 0.38 0.00 -0.31 0.00 0.00 175.10 175.17 3i9e s ALA 107 N -3.65 -0.69 -0.68 1.32 0.00 -0.83 0.11 121.76 117.34 3i9e s ALA 107 Ca 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 3i9e s ALA 107 Cb 0.03 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3i9e s ALA 107 CO 0.21 -0.66 0.58 0.41 0.00 0.00 0.00 175.76 176.30 3i9e n GLY 108 N -0.22 0.07 3.52 0.00 0.00 -1.26 -3.06 105.19 104.23 3i9e n GLY 108 Ca -0.13 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 3i9e n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9e s VAL 109 N -3.18 0.00 0.47 1.61 1.01 -1.26 -4.42 120.40 114.63 3i9e s VAL 109 Ca 0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 3i9e s VAL 109 Cb -0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 3i9e s VAL 109 CO 0.39 -0.01 1.16 0.42 0.00 0.00 0.00 175.10 177.06 3i9e s THR 110 N -0.99 3.11 0.28 3.92 -4.23 -1.26 -4.71 115.64 111.76 3i9e s THR 110 Ca -0.10 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.21 3i9e s THR 110 Cb -0.01 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.71 3i9e s THR 110 CO 0.09 -0.04 1.90 1.05 -0.54 0.00 0.00 174.62 177.07 3i9e h GLU 111 N 1.90 1.09 0.00 3.99 4.11 -1.99 1.07 114.58 124.75 3i9e h GLU 111 Ca -0.49 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.87 3i9e h GLU 111 Cb 1.25 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3i9e h GLU 111 CO 0.60 0.72 0.00 -0.85 0.07 0.00 0.00 179.01 179.55 3i9e n GLU 112 N -4.49 0.02 -0.01 1.06 0.00 -1.26 0.54 120.64 116.50 3i9e n GLU 112 Ca 0.15 0.38 -0.01 0.00 0.00 0.00 0.00 57.16 57.68 3i9e n GLU 112 Cb 0.18 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.11 3i9e n GLU 112 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3i9e n GLN 113 N -1.45 3.19 0.13 3.44 7.27 0.19 -4.37 117.38 125.77 3i9e n GLN 113 Ca 0.01 -0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.84 3i9e n GLN 113 Cb 0.05 -1.05 -0.16 0.00 2.41 0.00 0.00 30.24 31.50 3i9e n GLN 113 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i9e h ALA 114 N 0.10 -0.14 0.00 1.69 0.00 0.18 -2.87 119.26 118.22 3i9e h ALA 114 Ca -0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 3i9e h ALA 114 Cb 0.97 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i9e h ALA 114 CO 0.00 0.64 -0.03 0.52 0.00 0.00 0.00 179.25 180.38 3i9e h MET 115 N 0.08 0.00 0.13 0.00 2.86 -0.12 -1.21 114.93 116.67 3i9e h MET 115 Ca -0.24 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.22 3i9e h MET 115 Cb 2.08 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.76 3i9e h MET 115 CO 0.26 0.03 -0.79 1.49 1.06 0.00 0.00 176.91 178.96 3i9e h GLU 116 N 0.00 0.31 -0.69 1.72 4.57 -1.73 -1.38 114.58 117.39 3i9e h GLU 116 Ca -0.00 -0.50 0.15 0.00 -1.18 0.00 0.00 59.36 57.83 3i9e h GLU 116 Cb 0.57 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 3i9e h GLU 116 CO 0.00 1.23 0.47 0.00 -1.18 0.00 0.00 179.01 179.53 3i9e h ALA 117 N 0.10 2.27 0.07 2.92 0.00 -1.21 0.63 119.26 124.05 3i9e h ALA 117 Ca -0.14 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3i9e h ALA 117 Cb 1.61 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.38 3i9e h ALA 117 CO 0.15 -0.46 -0.62 -0.07 0.00 0.00 0.00 179.25 178.25 3i9e h LEU 118 N 0.26 0.24 -0.57 0.00 3.38 -1.24 -2.89 115.31 114.49 3i9e h LEU 118 Ca 0.33 -0.92 0.11 0.00 0.09 0.00 0.00 57.88 57.49 3i9e h LEU 118 Cb 0.93 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 3i9e h LEU 118 CO -0.08 1.28 0.06 -0.09 0.09 0.00 0.00 178.44 179.70 3i9e h ARG 119 N -0.65 0.17 0.10 1.13 2.43 -0.23 0.39 114.38 117.71 3i9e h ARG 119 Ca -0.13 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3i9e h ARG 119 Cb 1.39 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 3i9e h ARG 119 CO 0.05 0.11 -0.38 0.82 -1.51 0.00 0.00 179.97 179.06 3i9e h ILE 120 N 0.18 0.00 -0.91 1.20 1.08 -1.02 -1.05 117.51 116.99 3i9e h ILE 120 Ca 0.30 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 65.01 3i9e h ILE 120 Cb 0.45 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.15 3i9e h ILE 120 CO -0.44 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 177.66 3i9e h ALA 121 N -0.84 2.64 0.00 1.87 0.00 -1.05 0.42 119.26 122.30 3i9e h ALA 121 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i9e h ALA 121 Cb 0.55 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i9e h ALA 121 CO -0.20 -0.92 -0.12 0.78 0.00 0.00 0.00 179.25 178.79 3i9e h GLY 122 N 0.13 0.00 1.85 0.00 0.00 0.11 -2.43 103.07 102.73 3i9e h GLY 122 Ca 0.45 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.55 3i9e h GLY 122 CO -0.07 0.00 -1.04 0.45 0.00 0.00 0.00 176.54 175.88 3i9e h HIS 123 N 0.00 0.20 0.00 5.60 -0.00 -0.72 -3.06 115.15 117.18 3i9e h HIS 123 Ca -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 3i9e h HIS 123 Cb 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 3i9e h HIS 123 CO 0.00 1.07 0.00 1.63 -0.00 0.00 0.00 177.93 180.63 3i9e n LYS 124 N -3.47 0.20 -3.50 2.45 4.76 -0.92 -4.69 118.16 112.98 3i9e n LYS 124 Ca -0.03 0.46 -0.37 0.00 -2.87 0.00 0.00 58.31 55.49 3i9e n LYS 124 Cb 0.93 -1.90 -0.06 0.00 -1.84 0.00 0.00 35.03 32.16 3i9e n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i9e s LEU 125 N -4.55 4.34 0.00 -0.35 1.43 -1.16 -4.88 118.68 113.52 3i9e s LEU 125 Ca 0.03 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3i9e s LEU 125 Cb 0.09 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3i9e s LEU 125 CO 0.37 0.18 0.59 -0.81 0.23 0.00 0.00 176.35 176.92 3i9e n PRO 126 N 2.86 0.66 -3.96 1.29 -0.04 -1.26 -4.79 135.00 129.76 3i9e n PRO 126 Ca -0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 3i9e n PRO 126 Cb 0.52 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 3i9e n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i9e s ILE 127 N 0.08 0.00 0.28 0.52 -4.36 -1.26 -5.03 121.20 111.44 3i9e s ILE 127 Ca 0.00 -1.29 -0.25 0.00 -0.26 0.00 0.00 60.65 58.85 3i9e s ILE 127 Cb 0.00 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 41.42 3i9e s ILE 127 CO 0.00 0.00 0.89 -0.54 0.24 0.00 0.00 174.94 175.53 3i9e s LYS 128 N -3.89 4.54 0.42 0.37 1.02 -1.26 -4.98 119.74 115.97 3i9e s LYS 128 Ca 0.19 1.24 0.02 0.00 0.02 0.00 0.00 55.97 57.44 3i9e s LYS 128 Cb -0.02 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 3i9e s LYS 128 CO 0.09 0.35 0.07 0.25 -0.92 0.00 0.00 175.35 175.18 3i9e n THR 129 N 0.75 0.00 -3.50 2.17 -2.24 -1.26 -2.28 114.28 107.93 3i9e n THR 129 Ca 0.00 -2.21 -0.00 0.00 -2.27 0.00 0.00 64.05 59.57 3i9e n THR 129 Cb 0.50 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 3i9e n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3i9e s LYS 130 N -3.57 0.36 0.30 -0.78 2.36 -0.89 -4.91 119.74 112.61 3i9e s LYS 130 Ca 0.09 0.82 -0.23 0.00 -2.55 0.00 0.00 55.97 54.10 3i9e s LYS 130 Cb 0.00 0.39 -0.09 0.00 -1.05 0.00 0.00 37.83 37.08 3i9e s LYS 130 CO 0.07 -0.11 0.87 0.42 1.55 0.00 0.00 175.35 178.15 3i9e s ILE 131 N 2.20 4.35 0.15 5.43 1.01 -1.26 -2.28 121.20 130.80 3i9e s ILE 131 Ca -0.05 1.60 0.05 0.00 0.00 0.00 0.00 60.65 62.26 3i9e s ILE 131 Cb -0.06 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3i9e s ILE 131 CO -0.17 0.11 -0.11 -0.69 0.00 0.00 0.00 174.94 174.08 3i9e s VAL 132 N -1.64 1.27 0.00 2.92 1.01 -0.64 -4.97 120.40 118.35 3i9e s VAL 132 Ca 0.49 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.43 3i9e s VAL 132 Cb -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3i9e s VAL 132 CO 0.22 -0.69 0.00 -1.14 0.00 0.00 0.00 175.10 173.49 3i9e n ARG 133 N -0.13 0.00 0.00 2.72 0.63 -1.26 -1.51 116.66 117.11 3i9e n ARG 133 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 3i9e n ARG 133 Cb 0.60 -0.36 0.00 0.00 0.45 0.00 0.00 32.46 33.15 3i9e n ARG 133 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3i9e n ARG 134 N -0.41 0.00 -0.77 -0.14 0.63 -1.26 -3.02 116.66 111.69 3i9e n ARG 134 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 3i9e n ARG 134 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 3i9e n ARG 134 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i9e n ASP 135 N 0.00 -2.62 0.00 6.15 9.92 -1.26 -4.84 116.55 123.90 3i9e n ASP 135 Ca 0.00 0.06 0.12 0.00 -0.53 0.00 0.00 54.79 54.44 3i9e n ASP 135 Cb 0.00 -0.98 0.66 0.00 -0.64 0.00 0.00 41.12 40.16 3i9e n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i9e n ALA 136 N -3.92 2.30 -0.75 2.24 0.00 -1.26 -3.95 120.51 115.18 3i9e n ALA 136 Ca 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 3i9e n ALA 136 Cb 0.60 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 3i9e n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i9e n TYR 137 N -1.22 0.00 -3.84 0.00 0.53 -1.26 -4.67 117.16 106.70 3i9e n TYR 137 Ca 0.14 -1.16 -0.30 0.00 -1.02 0.00 0.00 57.90 55.56 3i9e n TYR 137 Cb 0.17 -1.21 -0.14 0.00 -1.03 0.00 0.00 39.34 37.14 3i9e n TYR 137 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3i9e s ASP 138 N 2.14 4.03 0.00 7.72 1.11 -1.25 -5.04 116.67 125.37 3i9e s ASP 138 Ca 0.45 -2.79 0.00 0.00 0.18 0.00 0.00 52.55 50.39 3i9e s ASP 138 Cb 0.21 -1.36 0.00 0.00 1.07 0.00 0.00 42.92 42.85 3i9e s ASP 138 CO 0.00 -0.26 0.00 -1.84 1.18 0.00 0.00 175.17 174.25 3i9e n GLU 139 N 3.37 3.51 0.00 8.23 0.00 -1.26 -4.98 120.64 129.51 3i9e n GLU 139 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 3i9e n GLU 139 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.78 3i9e n GLU 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i9e n ALA 140 N -3.00 0.00 -0.72 -1.84 0.00 -1.26 -5.19 120.51 108.50 3i9e n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9e n ALA 140 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9e n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54