#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n LYS 2 N 0.00 -0.61 0.00 0.03 5.02 -1.26 -2.82 118.16 118.52 3kno n LYS 2 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3kno n LYS 2 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 3kno n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kno n GLY 3 N -0.42 -1.97 0.00 0.72 0.00 -1.26 -3.61 105.19 98.66 3kno n GLY 3 Ca -0.07 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3kno n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kno n ILE 4 N -1.27 0.00 -4.46 -0.61 0.13 -1.21 -4.82 119.36 107.12 3kno n ILE 4 Ca 0.00 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.43 3kno n ILE 4 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 39.64 38.69 3kno n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3kno s LEU 5 N 0.00 2.36 0.00 9.51 1.43 -1.26 -3.13 118.68 127.59 3kno s LEU 5 Ca 0.00 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 3kno s LEU 5 Cb 0.00 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.70 3kno s LEU 5 CO 0.00 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.68 3kno n GLY 6 N -0.68 2.75 3.78 -3.19 0.00 -0.77 -3.82 105.19 103.26 3kno n GLY 6 Ca -0.04 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3kno n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kno s VAL 7 N -1.36 4.68 -0.11 1.61 -7.23 -1.19 -1.01 120.40 115.78 3kno s VAL 7 Ca 0.00 1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 61.28 3kno s VAL 7 Cb 0.00 -4.00 -0.06 0.00 0.56 0.00 0.00 36.38 32.88 3kno s VAL 7 CO 0.00 0.49 1.96 -0.75 -0.31 0.00 0.00 175.10 176.49 3kno s LYS 8 N -0.77 3.73 0.00 4.82 2.20 -1.23 -2.76 119.74 125.72 3kno s LYS 8 Ca 0.32 2.18 0.27 0.00 -0.36 0.00 0.00 55.97 58.39 3kno s LYS 8 Cb -0.20 -4.20 0.91 0.00 -1.51 0.00 0.00 37.83 32.83 3kno s LYS 8 CO 0.21 -1.41 1.67 1.33 -0.36 0.00 0.00 175.35 176.79 3kno n VAL 9 N 6.48 0.00 0.00 4.02 0.24 0.75 -2.16 118.33 127.66 3kno n VAL 9 Ca 0.23 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 3kno n VAL 9 Cb 0.43 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 3kno n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kno n GLY 10 N 1.36 -0.37 3.73 7.63 0.00 -1.23 -4.96 105.19 111.35 3kno n GLY 10 Ca 0.11 -2.24 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 3kno n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kno s MET 11 N -0.10 1.52 0.13 1.61 0.23 -1.26 -1.29 119.30 120.13 3kno s MET 11 Ca 0.00 -0.78 -0.09 0.00 -1.03 0.00 0.00 55.69 53.78 3kno s MET 11 Cb 0.00 0.56 0.03 0.00 -1.53 0.00 0.00 34.83 33.89 3kno s MET 11 CO 0.00 -0.69 0.46 0.25 -2.03 0.00 0.00 175.02 173.00 3kno n THR 12 N -0.43 0.00 -3.91 3.16 -2.24 -0.69 -5.01 114.28 105.16 3kno n THR 12 Ca -0.07 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.14 3kno n THR 12 Cb 0.61 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 3kno n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kno s ARG 13 N -2.03 2.50 0.20 -0.78 1.70 -1.26 0.71 118.95 119.99 3kno s ARG 13 Ca 0.10 -1.50 0.03 0.00 -0.47 0.00 0.00 55.73 53.89 3kno s ARG 13 Cb -0.02 -2.29 -0.05 0.00 -0.57 0.00 0.00 34.95 32.03 3kno s ARG 13 CO 0.04 0.03 -0.01 0.96 -1.08 0.00 0.00 175.30 175.23 3kno s ILE 14 N -2.41 0.93 -0.45 4.99 -4.36 0.14 -4.83 121.20 115.21 3kno s ILE 14 Ca 0.41 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.65 3kno s ILE 14 Cb -0.03 -2.20 0.07 0.00 1.25 0.00 0.00 42.46 41.55 3kno s ILE 14 CO 0.25 -0.43 0.34 -0.36 0.24 0.00 0.00 174.94 174.98 3kno s PHE 15 N -3.49 3.27 -0.33 1.37 0.08 -1.26 0.30 117.98 117.92 3kno s PHE 15 Ca 0.25 -1.08 0.01 0.00 0.12 0.00 0.00 56.93 56.23 3kno s PHE 15 Cb 0.05 -3.03 0.10 0.00 -0.57 0.00 0.00 43.02 39.58 3kno s PHE 15 CO 0.06 -0.79 0.09 0.50 -0.10 0.00 0.00 175.22 174.98 3kno s ARG 16 N 1.58 0.98 0.00 0.44 3.00 -1.26 -4.75 118.95 118.94 3kno s ARG 16 Ca 0.04 -1.38 0.00 0.00 -1.00 0.00 0.00 55.73 53.39 3kno s ARG 16 Cb -0.23 -2.38 0.00 0.00 0.00 0.00 0.00 34.95 32.34 3kno s ARG 16 CO 0.06 -0.99 0.00 -0.25 0.00 0.00 0.00 175.30 174.12 3kno n ASP 17 N 4.58 -1.59 0.00 -2.12 9.92 -1.26 -3.84 116.55 122.24 3kno n ASP 17 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3kno n ASP 17 Cb 0.41 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 3kno n ASP 17 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3kno n ASP 18 N 1.55 0.00 -4.34 -2.24 8.00 -1.26 -4.93 116.55 113.33 3kno n ASP 18 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.04 3kno n ASP 18 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 3kno n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kno s ARG 19 N -0.05 3.40 -0.30 -1.24 1.70 -1.25 -5.01 118.95 116.20 3kno s ARG 19 Ca 0.00 -2.13 -0.36 0.00 -0.47 0.00 0.00 55.73 52.77 3kno s ARG 19 Cb 0.00 -4.42 -0.12 0.00 -0.57 0.00 0.00 34.95 29.84 3kno s ARG 19 CO 0.00 -1.36 2.09 0.00 -1.08 0.00 0.00 175.30 174.96 3kno n ALA 20 N 4.67 0.90 -2.74 7.88 0.00 -1.26 -3.99 120.51 125.97 3kno n ALA 20 Ca 0.06 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 3kno n ALA 20 Cb 0.45 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.31 3kno n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kno s VAL 21 N 6.43 5.21 0.53 0.00 -7.23 0.15 -4.85 120.40 120.64 3kno s VAL 21 Ca 1.06 0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 61.17 3kno s VAL 21 Cb -0.86 -3.39 -0.07 0.00 0.56 0.00 0.00 36.38 32.63 3kno s VAL 21 CO 0.51 0.42 1.02 -2.16 -0.31 0.00 0.00 175.10 174.58 3kno s PRO 22 N 0.57 3.72 0.03 4.82 0.04 -1.26 0.28 135.00 143.20 3kno s PRO 22 Ca 0.07 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.20 3kno s PRO 22 Cb -0.12 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3kno s PRO 22 CO 0.00 -0.47 0.11 0.14 0.04 0.00 0.00 177.00 176.82 3kno s VAL 23 N -2.36 0.11 -0.25 -0.36 -7.23 0.22 -3.58 120.40 106.96 3kno s VAL 23 Ca 0.63 -0.94 -0.06 0.00 -1.81 0.00 0.00 61.98 59.80 3kno s VAL 23 Cb -0.13 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 3kno s VAL 23 CO 0.28 -0.52 0.02 0.28 -0.31 0.00 0.00 175.10 174.86 3kno s THR 24 N -2.15 3.79 -0.29 5.32 -1.32 -0.75 -1.70 115.64 118.54 3kno s THR 24 Ca -0.09 -0.44 -0.19 0.00 -1.21 0.00 0.00 61.69 59.76 3kno s THR 24 Cb -0.04 -2.80 -0.02 0.00 -1.51 0.00 0.00 72.50 68.14 3kno s THR 24 CO -0.02 0.32 0.56 -0.69 -2.21 0.00 0.00 174.62 172.57 3kno s VAL 25 N 1.52 5.01 0.00 5.08 1.01 -0.42 -2.02 120.40 130.59 3kno s VAL 25 Ca 0.05 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.84 3kno s VAL 25 Cb -0.15 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3kno s VAL 25 CO 0.00 -0.04 0.00 -0.38 0.00 0.00 0.00 175.10 174.68 3kno n ILE 26 N 5.28 0.00 -3.32 2.22 2.08 0.99 -0.17 119.36 126.44 3kno n ILE 26 Ca -0.03 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.15 3kno n ILE 26 Cb 0.49 -1.42 -0.06 0.00 -0.75 0.00 0.00 39.64 37.90 3kno n ILE 26 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3kno s LEU 27 N 0.00 -0.33 -1.43 1.39 2.96 -1.11 -3.68 118.68 116.48 3kno s LEU 27 Ca 0.00 -1.50 -0.08 0.00 -0.22 0.00 0.00 54.13 52.33 3kno s LEU 27 Cb 0.00 0.83 -0.02 0.00 0.50 0.00 0.00 46.19 47.50 3kno s LEU 27 CO 0.00 -0.23 2.80 0.00 -1.32 0.00 0.00 176.35 177.60 3kno n ALA 28 N 4.18 7.25 -0.83 5.97 0.00 -0.69 -3.19 120.51 133.20 3kno n ALA 28 Ca 0.12 -3.63 -0.32 0.00 0.00 0.00 0.00 53.44 49.61 3kno n ALA 28 Cb 0.48 -3.10 0.09 0.00 0.00 0.00 0.00 19.45 16.91 3kno n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 29 N 2.85 -2.64 3.68 0.00 0.00 -1.25 -3.60 105.19 104.23 3kno n GLY 29 Ca 0.71 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.89 3kno n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kno n PRO 30 N 0.57 2.39 -3.39 1.61 -0.02 -1.26 -4.69 135.00 130.20 3kno n PRO 30 Ca -0.00 0.86 -0.37 0.00 -2.02 0.00 0.00 63.50 61.97 3kno n PRO 30 Cb 0.62 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 3kno n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kno n PRO 32 N 1.78 0.23 -1.52 0.00 -0.02 -1.21 -2.26 135.00 132.00 3kno n PRO 32 Ca 0.25 -0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 60.58 3kno n PRO 32 Cb 0.37 -2.89 -0.13 0.00 -0.02 0.00 0.00 33.50 30.83 3kno n PRO 32 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kno n VAL 33 N 7.66 -0.02 0.33 -1.45 3.14 -1.26 -3.56 118.33 123.17 3kno n VAL 33 Ca 0.42 -0.37 0.04 0.00 -2.96 0.00 0.00 64.34 61.47 3kno n VAL 33 Cb 0.40 -1.10 0.19 0.00 -1.06 0.00 0.00 33.84 32.26 3kno n VAL 33 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 3kno n VAL 34 N 7.31 1.07 -3.78 1.55 0.24 -0.90 -4.85 118.33 118.96 3kno n VAL 34 Ca 0.57 -0.62 0.03 0.00 -2.04 0.00 0.00 64.34 62.28 3kno n VAL 34 Cb 0.23 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 3kno n VAL 34 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3kno s GLN 35 N -1.75 0.31 -0.34 7.34 0.74 -1.19 -4.86 119.66 119.91 3kno s GLN 35 Ca 0.26 -0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.53 3kno s GLN 35 Cb 0.18 0.10 0.17 0.00 1.10 0.00 0.00 33.01 34.56 3kno s GLN 35 CO 0.11 -0.15 0.50 0.50 -0.55 0.00 0.00 175.29 175.71 3kno s ARG 36 N -2.17 0.61 0.13 1.67 3.52 -1.26 -3.62 118.95 117.83 3kno s ARG 36 Ca 0.21 -0.12 -0.31 0.00 -0.13 0.00 0.00 55.73 55.38 3kno s ARG 36 Cb 0.03 -0.17 -0.09 0.00 -1.56 0.00 0.00 34.95 33.16 3kno s ARG 36 CO -0.03 -1.12 1.54 1.03 -0.81 0.00 0.00 175.30 175.91 3kno s ARG 37 N 2.15 4.24 0.13 5.12 1.81 0.30 -4.87 118.95 127.83 3kno s ARG 37 Ca 0.13 2.28 0.03 0.00 -1.72 0.00 0.00 55.73 56.46 3kno s ARG 37 Cb -0.10 -3.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.07 3kno s ARG 37 CO -0.17 -0.60 -0.08 0.95 -0.68 0.00 0.00 175.30 174.72 3kno s THR 38 N 1.52 0.99 -0.35 0.02 -4.23 -1.26 -0.20 115.64 112.14 3kno s THR 38 Ca 0.70 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3kno s THR 38 Cb -0.41 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3kno s THR 38 CO 0.31 -0.77 0.25 -2.65 -0.54 0.00 0.00 174.62 171.21 3kno n PRO 39 N -0.15 0.00 0.00 3.99 -0.02 -1.26 0.31 135.00 137.86 3kno n PRO 39 Ca -0.11 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3kno n PRO 39 Cb 0.61 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3kno n PRO 39 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kno n GLU 40 N -0.75 0.00 0.07 -0.52 0.00 -1.26 -4.05 120.64 114.13 3kno n GLU 40 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 3kno n GLU 40 Cb 0.12 -0.45 -0.08 0.00 0.00 0.00 0.00 31.44 31.02 3kno n GLU 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3kno h LYS 41 N 0.00 0.00 0.00 3.44 1.57 -1.92 -3.39 116.57 116.27 3kno h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kno h LYS 41 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kno h LYS 41 CO 0.00 0.76 -0.51 -0.25 -0.57 0.00 0.00 179.45 178.89 3kno n ASP 42 N -3.26 2.46 -0.20 0.86 8.00 0.11 -4.88 116.55 119.64 3kno n ASP 42 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3kno n ASP 42 Cb 0.89 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 3kno n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kno n GLY 43 N 1.88 0.91 0.16 0.44 0.00 0.90 -4.88 105.19 104.59 3kno n GLY 43 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3kno n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kno n TYR 44 N -2.39 -0.20 -0.19 1.61 4.11 -1.22 -4.75 117.16 114.13 3kno n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3kno n TYR 44 Cb 0.36 0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 3kno n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3kno n THR 45 N -1.29 -0.27 -3.91 -3.48 -1.04 -1.19 -4.69 114.28 98.41 3kno n THR 45 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3kno n THR 45 Cb 0.00 -0.49 -0.06 0.00 -1.82 0.00 0.00 70.33 67.96 3kno n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kno s ALA 46 N 0.00 -0.20 -0.44 2.41 0.00 0.72 -0.53 121.76 123.72 3kno s ALA 46 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3kno s ALA 46 Cb 0.00 0.84 0.13 0.00 0.00 0.00 0.00 23.12 24.09 3kno s ALA 46 CO 0.00 -0.67 0.22 0.08 0.00 0.00 0.00 175.76 175.39 3kno s VAL 47 N -3.94 1.55 -0.83 0.00 1.01 -1.25 0.11 120.40 117.03 3kno s VAL 47 Ca 0.15 -2.56 -0.23 0.00 0.00 0.00 0.00 61.98 59.34 3kno s VAL 47 Cb 0.03 -2.09 -0.20 0.00 0.00 0.00 0.00 36.38 34.12 3kno s VAL 47 CO -0.01 -0.86 2.42 1.67 0.00 0.00 0.00 175.10 178.32 3kno n GLN 48 N 3.61 0.37 -2.98 2.72 7.27 -1.24 -3.39 117.38 123.75 3kno n GLN 48 Ca 0.07 -0.21 -0.33 0.00 0.07 0.00 0.00 57.00 56.60 3kno n GLN 48 Cb 0.35 -2.33 -0.07 0.00 2.41 0.00 0.00 30.24 30.60 3kno n GLN 48 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3kno s LEU 49 N 8.69 4.05 0.05 1.69 1.02 -1.22 -2.12 118.68 130.84 3kno s LEU 49 Ca 1.16 1.50 0.07 0.00 0.02 0.00 0.00 54.13 56.88 3kno s LEU 49 Cb -0.63 -4.23 -0.03 0.00 0.02 0.00 0.00 46.19 41.32 3kno s LEU 49 CO 0.36 -0.24 -0.17 -0.83 0.02 0.00 0.00 176.35 175.49 3kno s GLY 50 N -2.14 1.60 0.02 -3.19 0.00 -1.23 -2.16 107.32 100.21 3kno s GLY 50 Ca 0.56 -1.21 -0.15 0.00 0.00 0.00 0.00 44.72 43.93 3kno s GLY 50 CO 0.16 -1.12 0.32 -0.12 0.00 0.00 0.00 173.10 172.34 3kno s PHE 51 N -0.97 -0.15 0.08 1.90 2.19 -1.23 -3.31 117.98 116.49 3kno s PHE 51 Ca 0.15 0.13 0.00 0.00 0.33 0.00 0.00 56.93 57.54 3kno s PHE 51 Cb -0.11 0.10 0.00 0.00 -1.31 0.00 0.00 43.02 41.71 3kno s PHE 51 CO 0.06 -0.45 0.00 -0.11 1.83 0.00 0.00 175.22 176.55 3kno n LEU 52 N 0.90 -3.78 0.00 6.12 7.94 -1.26 -3.18 117.00 123.74 3kno n LEU 52 Ca -0.20 1.38 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3kno n LEU 52 Cb 0.58 -1.93 0.00 0.00 0.53 0.00 0.00 43.42 42.60 3kno n LEU 52 CO 0.21 -0.82 0.00 -2.65 -1.11 0.00 0.00 177.39 173.03 3kno n PRO 53 N 0.81 1.93 -0.49 1.96 -0.02 -1.26 -0.36 135.00 137.58 3kno n PRO 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kno n PRO 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kno n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kno n GLN 54 N 0.00 1.38 0.00 -0.52 10.64 -1.26 -1.83 117.38 125.79 3kno n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kno n GLN 54 Cb 0.00 -0.65 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 3kno n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kno n ASN 55 N 1.96 0.00 -1.24 2.61 5.03 -1.26 -2.41 115.26 119.96 3kno n ASN 55 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3kno n ASN 55 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3kno n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3kno n PRO 56 N 0.00 0.00 -1.89 3.52 -0.02 -1.26 -0.80 135.00 134.55 3kno n PRO 56 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 3kno n PRO 56 Cb 0.00 -0.34 -0.01 0.00 -0.02 0.00 0.00 33.50 33.13 3kno n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kno n LYS 57 N 0.93 -1.98 -0.03 -0.52 4.81 -1.26 -4.68 118.16 115.44 3kno n LYS 57 Ca 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3kno n LYS 57 Cb 0.02 -4.64 0.00 0.00 0.02 0.00 0.00 35.03 30.43 3kno n LYS 57 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kno n ARG 58 N -2.07 0.53 0.00 1.64 1.74 0.02 -4.50 116.66 114.02 3kno n ARG 58 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3kno n ARG 58 Cb 0.39 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3kno n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3kno n VAL 59 N 0.83 0.00 0.00 1.55 3.14 -1.26 -5.09 118.33 117.50 3kno n VAL 59 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3kno n VAL 59 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 3kno n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3kno n ASN 60 N 0.00 0.00 -0.35 6.55 6.94 -1.26 -4.96 115.26 122.17 3kno n ASN 60 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.47 3kno n ASN 60 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 3kno n ASN 60 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3kno h ARG 61 N 0.00 -0.08 -2.53 -3.83 2.43 -2.00 -1.82 114.38 106.55 3kno h ARG 61 Ca 0.00 0.01 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 3kno h ARG 61 Cb 0.00 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3kno h ARG 61 CO 0.00 -0.05 1.98 -0.35 -1.51 0.00 0.00 179.97 180.04 3kno n PRO 62 N -5.32 3.22 0.00 0.20 -0.04 -1.26 -4.57 135.00 127.23 3kno n PRO 62 Ca 0.03 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 3kno n PRO 62 Cb 0.30 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 3kno n PRO 62 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3kno n LEU 63 N 2.64 0.04 0.00 1.53 0.00 -0.69 -4.82 117.00 115.70 3kno n LEU 63 Ca 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 56.01 56.61 3kno n LEU 63 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.87 3kno n LEU 63 CO 0.55 0.01 0.00 1.17 0.00 0.00 0.00 177.39 179.12 3kno n LYS 64 N -0.45 0.00 0.00 1.96 4.81 -1.26 -4.57 118.16 118.65 3kno n LYS 64 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 3kno n LYS 64 Cb 0.01 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.12 3kno n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kno n GLY 65 N 0.00 -0.13 0.00 3.14 0.00 -1.26 -4.42 105.19 102.52 3kno n GLY 65 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3kno n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kno n HIS 66 N -0.20 0.00 -4.29 1.61 -0.00 -1.26 -4.39 115.22 106.68 3kno n HIS 66 Ca 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.66 3kno n HIS 66 Cb 0.44 -0.15 -0.10 0.00 -0.00 0.00 0.00 29.99 30.18 3kno n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3kno s PHE 67 N -2.23 1.42 0.00 1.57 5.36 -1.26 -5.07 117.98 117.77 3kno s PHE 67 Ca 0.00 -0.80 0.00 0.00 -0.96 0.00 0.00 56.93 55.17 3kno s PHE 67 Cb 0.00 -0.76 0.00 0.00 -0.34 0.00 0.00 43.02 41.92 3kno s PHE 67 CO 0.00 0.06 0.15 0.00 -1.46 0.00 0.00 175.22 173.97 3kno n ALA 68 N -0.30 0.00 -0.19 11.12 0.00 -1.26 -2.42 120.51 127.46 3kno n ALA 68 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.53 3kno n ALA 68 Cb 0.62 0.04 0.31 0.00 0.00 0.00 0.00 19.45 20.42 3kno n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 69 N -0.23 -0.04 0.00 0.00 4.01 -1.26 -2.09 118.16 118.55 3kno n LYS 69 Ca 0.00 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.60 3kno n LYS 69 Cb 0.00 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 3kno n LYS 69 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kno n ALA 70 N -2.71 0.00 -1.21 7.82 0.00 -1.02 -4.26 120.51 119.13 3kno n ALA 70 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 3kno n ALA 70 Cb 0.69 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.19 3kno n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 71 N -0.88 -2.51 3.62 0.00 0.00 -0.89 -1.99 105.19 102.54 3kno n GLY 71 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 3kno n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kno n VAL 72 N -2.18 -3.29 -1.44 1.61 0.31 -1.26 -4.82 118.33 107.26 3kno n VAL 72 Ca 0.07 -0.07 -0.56 0.00 -0.01 0.00 0.00 64.34 63.77 3kno n VAL 72 Cb 0.50 -3.99 -0.07 0.00 -0.91 0.00 0.00 33.84 29.37 3kno n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kno n GLU 73 N -4.86 0.00 -2.42 5.55 4.07 -0.84 -4.63 120.64 117.50 3kno n GLU 73 Ca -0.03 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.70 3kno n GLU 73 Cb 0.57 -1.41 -0.03 0.00 -0.06 0.00 0.00 31.44 30.52 3kno n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3kno s PRO 74 N -0.08 4.02 0.00 5.31 0.04 -1.23 -4.00 135.00 139.05 3kno s PRO 74 Ca 0.86 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3kno s PRO 74 Cb -1.20 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 30.83 3kno s PRO 74 CO 0.55 -0.30 0.27 0.28 0.04 0.00 0.00 177.00 177.84 3kno n VAL 75 N -0.20 0.00 -1.43 -0.36 0.31 0.52 -4.33 118.33 112.83 3kno n VAL 75 Ca 0.06 0.77 -0.49 0.00 -0.01 0.00 0.00 64.34 64.67 3kno n VAL 75 Cb 0.49 -1.68 -0.09 0.00 -0.91 0.00 0.00 33.84 31.66 3kno n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kno n ARG 76 N -0.32 0.74 -0.15 5.55 3.00 -1.19 -4.87 116.66 119.42 3kno n ARG 76 Ca 0.00 0.17 -0.02 0.00 -0.01 0.00 0.00 57.85 57.99 3kno n ARG 76 Cb 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 32.46 30.20 3kno n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3kno n ILE 77 N 7.23 0.00 -3.47 0.55 5.41 -1.26 -3.49 119.36 124.33 3kno n ILE 77 Ca 0.47 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.91 3kno n ILE 77 Cb 0.19 -0.06 -0.04 0.00 -0.71 0.00 0.00 39.64 39.03 3kno n ILE 77 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3kno s LEU 78 N 0.00 4.16 -0.23 1.39 1.43 -1.26 -4.24 118.68 119.94 3kno s LEU 78 Ca 0.04 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 3kno s LEU 78 Cb -0.01 -3.50 0.12 0.00 0.03 0.00 0.00 46.19 42.83 3kno s LEU 78 CO 0.03 -0.08 0.33 -0.13 0.23 0.00 0.00 176.35 176.73 3kno s ARG 79 N -3.06 0.29 0.83 1.70 3.00 -0.92 -4.93 118.95 115.87 3kno s ARG 79 Ca 0.44 0.45 -0.16 0.00 0.00 0.00 0.00 55.73 56.46 3kno s ARG 79 Cb -0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 34.95 34.10 3kno s ARG 79 CO 0.26 -0.63 0.08 0.39 0.00 0.00 0.00 175.30 175.40 3kno n GLU 80 N 5.35 0.02 -0.01 3.54 1.02 -1.26 -3.40 120.64 125.91 3kno n GLU 80 Ca -0.04 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.22 3kno n GLU 80 Cb 0.50 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.26 3kno n GLU 80 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kno n ILE 81 N -2.66 0.00 -1.56 -3.67 2.08 -1.22 -4.84 119.36 107.50 3kno n ILE 81 Ca 0.06 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.01 3kno n ILE 81 Cb 0.52 0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.62 3kno n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3kno n ARG 82 N -2.02 -3.94 -4.05 0.38 5.12 -1.26 -4.71 116.66 106.18 3kno n ARG 82 Ca -0.02 2.92 -0.32 0.00 -1.93 0.00 0.00 57.85 58.49 3kno n ARG 82 Cb 0.43 -3.02 -0.00 0.00 -1.16 0.00 0.00 32.46 28.71 3kno n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3kno n ASP 83 N 1.15 -3.51 -3.66 0.55 9.92 0.31 -4.58 116.55 116.72 3kno n ASP 83 Ca 0.00 -0.91 -0.08 0.00 -0.53 0.00 0.00 54.79 53.27 3kno n ASP 83 Cb 0.00 -3.30 -0.09 0.00 -0.64 0.00 0.00 41.12 37.09 3kno n ASP 83 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3kno s PHE 84 N -3.38 -0.84 -0.22 1.24 2.19 -1.26 -3.12 117.98 112.59 3kno s PHE 84 Ca 0.60 1.61 0.02 0.00 0.33 0.00 0.00 56.93 59.49 3kno s PHE 84 Cb -0.32 0.38 0.04 0.00 -1.31 0.00 0.00 43.02 41.82 3kno s PHE 84 CO 0.88 -0.48 -0.13 1.21 1.83 0.00 0.00 175.22 178.53 3kno s ASN 85 N 2.35 3.82 0.86 6.13 3.84 -1.26 -3.95 114.94 126.73 3kno s ASN 85 Ca -0.04 -1.07 -0.05 0.00 0.21 0.00 0.00 52.86 51.91 3kno s ASN 85 Cb -0.11 -1.45 0.08 0.00 -0.55 0.00 0.00 41.25 39.22 3kno s ASN 85 CO -0.14 -0.13 0.18 -2.65 -2.79 0.00 0.00 177.10 171.57 3kno n PRO 86 N 4.55 -1.49 0.00 0.43 -0.02 -1.26 -4.86 135.00 132.35 3kno n PRO 86 Ca -0.16 -0.30 0.15 0.00 -2.02 0.00 0.00 63.50 61.17 3kno n PRO 86 Cb 0.45 -0.47 0.78 0.00 -0.02 0.00 0.00 33.50 34.24 3kno n PRO 86 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kno n GLU 87 N -2.00 1.15 0.00 -0.52 0.28 -1.26 -4.90 120.64 113.40 3kno n GLU 87 Ca 0.03 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 56.71 3kno n GLU 87 Cb 0.12 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.50 3kno n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kno n GLY 88 N 1.09 3.70 0.57 -1.84 0.00 -1.26 -5.10 105.19 102.35 3kno n GLY 88 Ca 0.21 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 3kno n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kno n ASP 89 N 0.00 0.64 0.00 1.61 2.03 -1.26 -4.88 116.55 114.69 3kno n ASP 89 Ca 0.00 -1.38 0.00 0.00 0.52 0.00 0.00 54.79 53.93 3kno n ASP 89 Cb 0.00 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 3kno n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3kno n THR 90 N -0.14 0.00 -3.63 5.18 -1.04 -1.26 -4.72 114.28 108.67 3kno n THR 90 Ca -0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 3kno n THR 90 Cb 0.11 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.50 3kno n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kno s VAL 91 N 0.00 4.98 0.00 12.58 1.01 -0.96 -4.84 120.40 133.17 3kno s VAL 91 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3kno s VAL 91 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3kno s VAL 91 CO 0.00 0.22 0.00 0.35 0.00 0.00 0.00 175.10 175.67 3kno n THR 92 N 5.02 0.00 0.14 3.92 -2.24 -1.26 -0.21 114.28 119.65 3kno n THR 92 Ca -0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 3kno n THR 92 Cb 0.51 -1.15 0.15 0.00 -2.10 0.00 0.00 70.33 67.74 3kno n THR 92 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kno h VAL 93 N -0.13 1.35 0.00 2.28 2.07 -1.83 -3.24 116.25 116.74 3kno h VAL 93 Ca 0.00 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3kno h VAL 93 Cb 0.00 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3kno h VAL 93 CO 0.00 0.61 0.00 -0.62 0.02 0.00 0.00 177.57 177.58 3kno n GLU 94 N -3.66 0.00 0.18 1.57 1.02 -1.26 -1.33 120.64 117.16 3kno n GLU 94 Ca -0.01 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3kno n GLU 94 Cb 0.65 -1.45 0.32 0.00 -0.02 0.00 0.00 31.44 30.94 3kno n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kno h ILE 95 N 0.00 0.90 -3.33 -3.67 5.03 -1.97 -3.43 117.51 111.04 3kno h ILE 95 Ca 0.00 -1.56 -0.66 0.00 -0.12 0.00 0.00 64.86 62.51 3kno h ILE 95 Cb 0.00 1.95 -0.13 0.00 -3.03 0.00 0.00 36.82 35.61 3kno h ILE 95 CO 0.00 0.38 -0.64 -0.36 -0.68 0.00 0.00 178.15 176.85 3kno s PHE 96 N -3.59 3.10 -0.06 1.37 0.08 -0.44 -5.08 117.98 113.35 3kno s PHE 96 Ca 0.00 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.16 3kno s PHE 96 Cb 0.11 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3kno s PHE 96 CO 0.69 0.47 -0.08 0.15 -0.10 0.00 0.00 175.22 176.35 3kno s LYS 97 N -1.57 1.29 0.22 0.44 1.02 -1.26 -4.96 119.74 114.91 3kno s LYS 97 Ca 0.20 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 3kno s LYS 97 Cb -0.12 -1.18 -0.08 0.00 -0.52 0.00 0.00 37.83 35.94 3kno s LYS 97 CO 0.10 -0.06 0.04 -2.30 -0.92 0.00 0.00 175.35 172.21 3kno n PRO 98 N 4.08 0.00 0.00 -1.68 -0.02 -1.26 -2.81 135.00 133.31 3kno n PRO 98 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3kno n PRO 98 Cb 0.51 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 3kno n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 99 N 1.23 2.82 3.88 -1.23 0.00 -0.52 -5.02 105.19 106.34 3kno n GLY 99 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3kno n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kno s GLU 100 N -0.81 1.01 -0.02 1.61 2.02 -1.12 -4.82 118.70 116.57 3kno s GLU 100 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3kno s GLU 100 Cb 0.00 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.40 3kno s GLU 100 CO 0.00 -2.21 0.01 1.03 0.02 0.00 0.00 175.26 174.12 3kno s ARG 101 N -5.67 0.13 0.48 1.61 0.52 -1.26 -0.48 118.95 114.28 3kno s ARG 101 Ca 0.68 0.13 0.05 0.00 -0.52 0.00 0.00 55.73 56.07 3kno s ARG 101 Cb -0.08 -0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 3kno s ARG 101 CO 0.52 -0.15 0.16 0.14 0.02 0.00 0.00 175.30 175.99 3kno s VAL 102 N 1.01 1.71 -0.41 3.52 -7.23 -0.34 -1.64 120.40 117.02 3kno s VAL 102 Ca -0.09 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 3kno s VAL 102 Cb -0.13 -2.49 0.13 0.00 0.56 0.00 0.00 36.38 34.45 3kno s VAL 102 CO -0.02 0.00 0.21 -1.81 -0.31 0.00 0.00 175.10 173.17 3kno s ASP 103 N -3.97 3.65 0.16 4.85 1.01 -1.08 -0.34 116.67 120.95 3kno s ASP 103 Ca 0.26 -2.45 -0.32 0.00 0.71 0.00 0.00 52.55 50.76 3kno s ASP 103 Cb 0.02 -0.96 -0.10 0.00 1.01 0.00 0.00 42.92 42.89 3kno s ASP 103 CO 0.15 -0.29 1.55 -0.69 0.21 0.00 0.00 175.17 176.09 3kno s VAL 104 N 0.59 2.71 -0.25 -1.27 1.01 -1.26 -4.20 120.40 117.73 3kno s VAL 104 Ca 0.17 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.66 3kno s VAL 104 Cb -0.23 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.87 3kno s VAL 104 CO -0.03 0.04 -0.10 -0.89 0.00 0.00 0.00 175.10 174.12 3kno s THR 105 N 1.15 2.38 0.00 3.92 2.01 -1.22 -1.48 115.64 122.40 3kno s THR 105 Ca 0.69 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3kno s THR 105 Cb -0.43 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 69.79 3kno s THR 105 CO 0.31 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 3kno n GLY 106 N 4.53 4.85 3.11 4.40 0.00 -0.72 -0.32 105.19 121.04 3kno n GLY 106 Ca -0.16 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3kno n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kno s THR 107 N -1.16 2.71 0.18 2.61 -4.23 -1.26 -0.70 115.64 113.79 3kno s THR 107 Ca 0.00 -1.76 -0.32 0.00 -1.18 0.00 0.00 61.69 58.44 3kno s THR 107 Cb 0.00 -2.71 -0.16 0.00 1.34 0.00 0.00 72.50 70.97 3kno s THR 107 CO 0.00 -0.29 0.95 -0.24 -0.54 0.00 0.00 174.62 174.50 3kno n SER 108 N 4.50 0.47 -4.57 3.99 2.88 -0.61 -2.90 113.62 117.39 3kno n SER 108 Ca -0.08 1.15 -0.46 0.00 -1.33 0.00 0.00 58.87 58.15 3kno n SER 108 Cb 0.42 -1.12 -0.03 0.00 -0.75 0.00 0.00 64.21 62.74 3kno n SER 108 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kno n LYS 109 N 1.33 1.16 -2.43 -1.46 5.02 -1.26 -3.04 118.16 117.48 3kno n LYS 109 Ca 0.15 0.41 -0.37 0.00 -2.02 0.00 0.00 58.31 56.48 3kno n LYS 109 Cb 0.24 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3kno n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kno s GLY 110 N -0.40 1.01 0.24 0.72 0.00 -1.26 -3.63 107.32 104.00 3kno s GLY 110 Ca 0.64 -2.13 0.12 0.00 0.00 0.00 0.00 44.72 43.35 3kno s GLY 110 CO 0.57 2.91 1.29 -2.13 0.00 0.00 0.00 173.10 175.73 3kno n ARG 111 N 8.83 0.08 0.00 2.90 3.00 -0.81 -4.70 116.66 125.96 3kno n ARG 111 Ca 0.36 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 3kno n ARG 111 Cb 0.50 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 31.01 3kno n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kno n GLY 112 N -1.30 -1.82 3.53 5.14 0.00 -0.06 -4.53 105.19 106.14 3kno n GLY 112 Ca -0.01 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3kno n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kno s PHE 113 N 0.00 2.84 -0.21 1.61 5.99 -1.26 -0.34 117.98 126.61 3kno s PHE 113 Ca 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 56.93 55.54 3kno s PHE 113 Cb 0.00 -4.57 -0.04 0.00 0.00 0.00 0.00 43.02 38.41 3kno s PHE 113 CO 0.00 -1.74 0.09 0.00 -0.00 0.00 0.00 175.22 173.57 3kno s ALA 114 N 3.86 3.44 0.88 11.12 0.00 -0.64 -4.87 121.76 135.57 3kno s ALA 114 Ca 0.44 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 3kno s ALA 114 Cb -0.01 -2.07 0.12 0.00 0.00 0.00 0.00 23.12 21.17 3kno s ALA 114 CO -0.05 -0.01 1.12 0.20 0.00 0.00 0.00 175.76 177.02 3kno s GLY 115 N 0.72 1.59 0.99 0.00 0.00 -1.26 -2.50 107.32 106.86 3kno s GLY 115 Ca 0.05 -0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.21 3kno s GLY 115 CO 0.02 0.12 -0.18 1.55 0.00 0.00 0.00 173.10 174.61 3kno n VAL 116 N -3.70 0.00 -0.75 1.40 3.14 -1.26 -3.21 118.33 113.95 3kno n VAL 116 Ca 0.07 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 3kno n VAL 116 Cb 0.58 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 3kno n VAL 116 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3kno n MET 117 N -0.10 0.00 0.00 1.45 0.00 -1.26 -4.54 117.12 112.67 3kno n MET 117 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 3kno n MET 117 Cb 0.57 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.69 3kno n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3kno n LYS 118 N -2.46 1.01 -0.06 2.12 4.81 -1.20 -4.36 118.16 118.02 3kno n LYS 118 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3kno n LYS 118 Cb 0.00 -0.19 -0.15 0.00 0.02 0.00 0.00 35.03 34.71 3kno n LYS 118 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3kno n ARG 119 N -0.28 0.67 0.00 1.64 0.00 -1.20 -4.57 116.66 112.93 3kno n ARG 119 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 3kno n ARG 119 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 30.85 3kno n ARG 119 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3kno n TRP 120 N -2.79 0.00 -3.37 -0.14 5.03 -1.26 -5.03 117.44 109.88 3kno n TRP 120 Ca -0.25 0.00 -0.16 0.00 3.03 0.00 0.00 57.50 60.13 3kno n TRP 120 Cb 1.05 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 31.36 3kno n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3kno n ASN 121 N -0.11 -6.47 -2.12 -0.99 4.13 -1.26 -4.79 115.26 103.66 3kno n ASN 121 Ca 0.00 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.66 3kno n ASN 121 Cb 0.11 -4.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 3kno n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3kno n PHE 122 N -2.89 0.00 -0.13 3.10 3.01 -1.26 -4.84 117.46 114.45 3kno n PHE 122 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3kno n PHE 122 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 3kno n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kno n ALA 123 N -3.00 0.70 -0.98 4.37 0.00 -1.26 -4.77 120.51 115.57 3kno n ALA 123 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kno n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kno n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 124 N 0.27 3.87 3.31 0.00 0.00 -1.26 -4.82 105.19 106.56 3kno n GLY 124 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3kno n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kno s GLY 125 N 0.00 2.15 0.31 -0.02 0.00 0.35 -4.89 107.32 105.22 3kno s GLY 125 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 44.72 42.59 3kno s GLY 125 CO 0.00 -1.53 1.54 -4.14 0.00 0.00 0.00 173.10 168.97 3kno s PRO 126 N -3.69 4.14 0.00 2.90 0.02 -1.26 -4.76 135.00 132.35 3kno s PRO 126 Ca 0.37 2.54 0.12 0.00 0.02 0.00 0.00 61.00 64.05 3kno s PRO 126 Cb 0.04 -3.02 0.55 0.00 0.02 0.00 0.00 34.50 32.08 3kno s PRO 126 CO 0.21 -0.57 1.34 -0.25 -0.33 0.00 0.00 177.00 177.39 3kno n ASP 127 N 1.75 0.00 0.00 2.53 9.92 -1.26 -4.70 116.55 124.79 3kno n ASP 127 Ca 0.06 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 3kno n ASP 127 Cb 0.38 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 3kno n ASP 127 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3kno n SER 128 N -1.41 0.89 -1.74 -2.24 3.41 -1.26 -4.95 113.62 106.33 3kno n SER 128 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 3kno n SER 128 Cb 0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 3kno n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kno n HIS 129 N 0.00 -0.69 0.00 7.33 8.25 -1.26 -4.20 115.22 124.65 3kno n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kno n HIS 129 Cb 0.00 -2.71 0.00 0.00 1.12 0.00 0.00 29.99 28.40 3kno n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kno n GLY 130 N -0.44 0.26 0.00 -1.41 0.00 -1.26 -5.08 105.19 97.25 3kno n GLY 130 Ca -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3kno n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 131 N -1.00 -0.01 0.00 4.61 0.00 -1.26 -4.85 120.51 118.00 3kno n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kno n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3kno n HIS 132 N 0.00 0.00 -1.53 0.00 -0.00 -1.26 -4.28 115.22 108.14 3kno n HIS 132 Ca 0.00 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.84 3kno n HIS 132 Cb 0.00 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 29.93 3kno n HIS 132 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3kno n LYS 133 N -0.50 2.83 0.00 1.57 4.81 -1.26 -4.06 118.16 121.54 3kno n LYS 133 Ca 0.00 -3.46 0.00 0.00 -0.87 0.00 0.00 58.31 53.98 3kno n LYS 133 Cb 0.04 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.81 3kno n LYS 133 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3kno n ILE 134 N -0.82 0.00 -0.22 3.15 0.00 -1.26 -5.01 119.36 115.20 3kno n ILE 134 Ca 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 62.75 63.28 3kno n ILE 134 Cb 0.63 0.19 -0.05 0.00 0.00 0.00 0.00 39.64 40.40 3kno n ILE 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3kno n HIS 135 N 0.00 -0.23 -0.71 9.51 8.25 -1.26 -1.03 115.22 129.76 3kno n HIS 135 Ca 0.00 0.64 0.08 0.00 -0.26 0.00 0.00 57.72 58.18 3kno n HIS 135 Cb 0.39 -0.54 0.31 0.00 1.12 0.00 0.00 29.99 31.28 3kno n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kno n ARG 136 N -4.62 3.63 -1.23 -0.41 1.74 -1.26 0.13 116.66 114.64 3kno n ARG 136 Ca 0.01 -2.82 -0.30 0.00 -0.77 0.00 0.00 57.85 53.97 3kno n ARG 136 Cb 0.13 -1.86 0.12 0.00 -1.02 0.00 0.00 32.46 29.83 3kno n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3kno s HIS 137 N -2.15 2.43 0.21 -1.55 3.76 -0.20 -4.78 115.29 113.01 3kno s HIS 137 Ca 0.46 1.37 -0.06 0.00 -0.15 0.00 0.00 55.06 56.68 3kno s HIS 137 Cb 0.32 -3.12 0.16 0.00 1.11 0.00 0.00 32.58 31.05 3kno s HIS 137 CO 0.18 -2.15 1.65 -1.00 -0.85 0.00 0.00 174.74 172.57 3kno h PRO 138 N -1.38 0.91 0.00 8.40 0.13 -1.94 -3.37 132.00 134.75 3kno h PRO 138 Ca -0.47 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 3kno h PRO 138 Cb 1.26 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3kno h PRO 138 CO 0.53 0.97 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 3kno n GLY 139 N -0.36 0.68 3.88 1.56 0.00 -1.26 -4.77 105.19 104.92 3kno n GLY 139 Ca 0.02 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 3kno n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kno s SER 140 N -4.00 6.60 0.00 1.61 0.15 -1.26 -5.01 113.70 111.79 3kno s SER 140 Ca 0.00 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.54 3kno s SER 140 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 3kno s SER 140 CO 0.00 -0.09 0.59 2.30 1.20 0.00 0.00 173.24 177.25 3kno n ILE 141 N -0.23 0.18 -2.32 6.45 -5.35 -1.26 -5.10 119.36 111.73 3kno n ILE 141 Ca 0.00 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 3kno n ILE 141 Cb 0.53 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 3kno n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kno n GLY 142 N -0.08 1.65 3.60 3.28 0.00 -1.26 -4.70 105.19 107.68 3kno n GLY 142 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 3kno n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kno s ASN 143 N 2.00 3.27 0.00 1.61 -0.87 -1.26 -5.11 114.94 114.58 3kno s ASN 143 Ca 0.00 -1.66 0.00 0.00 -1.57 0.00 0.00 52.86 49.63 3kno s ASN 143 Cb 0.00 0.50 0.00 0.00 -0.02 0.00 0.00 41.25 41.73 3kno s ASN 143 CO 0.00 -0.90 0.00 0.54 -2.57 0.00 0.00 177.10 174.17 3kno n ARG 144 N -1.03 2.79 0.17 -0.60 1.74 -1.26 -4.37 116.66 114.10 3kno n ARG 144 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3kno n ARG 144 Cb 0.66 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.10 3kno n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kno n LYS 145 N 0.00 0.02 -3.58 5.56 4.76 -1.26 -2.58 118.16 121.07 3kno n LYS 145 Ca 0.00 0.49 -0.06 0.00 -2.87 0.00 0.00 58.31 55.87 3kno n LYS 145 Cb 0.00 -1.86 -0.08 0.00 -1.84 0.00 0.00 35.03 31.25 3kno n LYS 145 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kno s THR 146 N -2.75 -0.73 0.11 -0.18 -4.23 -1.26 -4.04 115.64 102.56 3kno s THR 146 Ca 0.00 0.09 -0.33 0.00 -1.18 0.00 0.00 61.69 60.28 3kno s THR 146 Cb 0.00 -0.77 -0.12 0.00 1.34 0.00 0.00 72.50 72.95 3kno s THR 146 CO 0.00 0.03 1.53 1.55 -0.54 0.00 0.00 174.62 177.19 3kno h PRO 147 N 8.13 -0.54 0.00 3.99 0.13 -1.84 -3.45 132.00 138.41 3kno h PRO 147 Ca -0.17 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3kno h PRO 147 Cb 1.12 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3kno h PRO 147 CO 0.15 -0.36 0.00 0.41 -0.23 0.00 0.00 178.00 177.96 3kno n GLY 148 N -1.42 1.85 0.00 1.56 0.00 -1.07 -5.03 105.19 101.09 3kno n GLY 148 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kno n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kno n ARG 149 N -0.06 2.78 -4.53 1.61 1.85 -1.26 -5.00 116.66 112.05 3kno n ARG 149 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 3kno n ARG 149 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 3kno n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3kno s VAL 150 N 1.38 0.98 0.54 8.89 1.01 -1.26 -4.77 120.40 127.17 3kno s VAL 150 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3kno s VAL 150 Cb 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 36.38 35.39 3kno s VAL 150 CO 0.00 0.30 0.06 -1.22 0.00 0.00 0.00 175.10 174.24 3kno n TYR 151 N 3.24 -2.27 0.10 5.22 4.01 -1.26 -4.91 117.16 121.28 3kno n TYR 151 Ca -0.18 0.44 -0.23 0.00 -0.16 0.00 0.00 57.90 57.77 3kno n TYR 151 Cb 0.54 -1.76 -0.14 0.00 -0.31 0.00 0.00 39.34 37.67 3kno n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3kno h LYS 152 N 0.03 0.62 -0.28 -0.72 1.63 -2.01 -3.21 116.57 112.63 3kno h LYS 152 Ca -0.43 -0.86 0.00 0.00 -0.85 0.00 0.00 60.65 58.52 3kno h LYS 152 Cb 1.43 0.29 0.00 0.00 -0.60 0.00 0.00 32.23 33.35 3kno h LYS 152 CO 0.43 1.40 0.00 0.41 -3.45 0.00 0.00 179.45 178.23 3kno n GLY 153 N 1.44 -0.23 3.52 5.01 0.00 -1.26 -4.90 105.19 108.77 3kno n GLY 153 Ca -0.14 -0.04 -0.54 0.00 0.00 0.00 0.00 46.02 45.30 3kno n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kno n LYS 154 N -0.29 1.03 -2.13 1.61 3.00 -1.22 -4.86 118.16 115.30 3kno n LYS 154 Ca 0.01 0.33 -0.42 0.00 -0.00 0.00 0.00 58.31 58.22 3kno n LYS 154 Cb 0.10 -2.25 -0.03 0.00 0.00 0.00 0.00 35.03 32.86 3kno n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3kno s LYS 155 N 5.24 3.34 0.36 1.64 1.02 -1.26 -4.97 119.74 125.11 3kno s LYS 155 Ca 1.06 1.15 0.04 0.00 0.02 0.00 0.00 55.97 58.24 3kno s LYS 155 Cb -0.99 -4.16 -0.05 0.00 -0.52 0.00 0.00 37.83 32.11 3kno s LYS 155 CO 0.57 -1.85 0.07 -1.64 -0.92 0.00 0.00 175.35 171.57 3kno s MET 156 N 5.56 1.78 0.37 1.68 -1.94 -1.26 -5.03 119.30 120.46 3kno s MET 156 Ca 0.71 -2.03 -0.28 0.00 -1.71 0.00 0.00 55.69 52.39 3kno s MET 156 Cb -0.18 -0.89 -0.10 0.00 2.01 0.00 0.00 34.83 35.66 3kno s MET 156 CO 0.32 -0.27 1.42 0.00 -0.01 0.00 0.00 175.02 176.48 3kno s ALA 157 N -3.21 3.51 0.00 3.03 0.00 -1.26 -4.64 121.76 119.18 3kno s ALA 157 Ca 0.31 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3kno s ALA 157 Cb 0.07 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3kno s ALA 157 CO 0.14 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.37 3kno n GLY 158 N 0.57 -1.43 3.71 0.00 0.00 -1.04 -4.91 105.19 102.08 3kno n GLY 158 Ca 0.01 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3kno n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kno n HIS 159 N 0.30 2.59 -3.64 1.61 -0.00 -1.26 -1.61 115.22 113.20 3kno n HIS 159 Ca 0.00 0.18 -0.03 0.00 -0.00 0.00 0.00 57.72 57.87 3kno n HIS 159 Cb 0.00 -2.60 -0.05 0.00 -0.00 0.00 0.00 29.99 27.33 3kno n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3kno s TYR 160 N 0.76 -1.23 0.00 1.57 6.14 0.54 -4.87 117.35 120.26 3kno s TYR 160 Ca 0.73 2.24 0.00 0.00 0.64 0.00 0.00 57.07 60.68 3kno s TYR 160 Cb -0.56 0.74 0.00 0.00 0.42 0.00 0.00 41.96 42.55 3kno s TYR 160 CO 0.38 -0.61 0.00 0.41 0.64 0.00 0.00 175.55 176.37 3kno n GLY 161 N 5.02 -0.86 3.59 8.97 0.00 -1.26 -0.88 105.19 119.77 3kno n GLY 161 Ca -0.15 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kno n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno s ALA 162 N -1.00 2.68 -0.28 4.61 0.00 -1.17 -4.17 121.76 122.44 3kno s ALA 162 Ca 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 3kno s ALA 162 Cb 0.00 -4.08 0.10 0.00 0.00 0.00 0.00 23.12 19.14 3kno s ALA 162 CO 0.00 -2.91 0.86 -1.83 0.00 0.00 0.00 175.76 171.88 3kno s GLU 163 N 6.17 0.64 -0.30 0.00 -1.05 -1.24 -4.94 118.70 117.98 3kno s GLU 163 Ca 0.87 0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 56.24 3kno s GLU 163 Cb -0.25 0.26 -0.07 0.00 -0.44 0.00 0.00 34.13 33.63 3kno s GLU 163 CO 0.33 -0.09 2.25 -2.13 0.95 0.00 0.00 175.26 176.57 3kno n ARG 164 N 2.94 1.57 -5.20 -4.83 0.63 -1.26 -1.57 116.66 108.95 3kno n ARG 164 Ca -0.15 0.39 -0.30 0.00 -0.92 0.00 0.00 57.85 56.86 3kno n ARG 164 Cb 0.56 -3.02 -0.16 0.00 0.45 0.00 0.00 32.46 30.29 3kno n ARG 164 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3kno s VAL 165 N 8.58 1.94 -0.18 5.15 1.01 0.12 -4.94 120.40 132.08 3kno s VAL 165 Ca 1.04 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3kno s VAL 165 Cb -0.47 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3kno s VAL 165 CO 0.38 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.98 3kno s THR 166 N -0.23 2.49 0.75 3.92 2.01 -1.26 -1.75 115.64 121.58 3kno s THR 166 Ca -0.01 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 3kno s THR 166 Cb -0.12 -2.07 0.14 0.00 0.01 0.00 0.00 72.50 70.46 3kno s THR 166 CO 0.02 0.51 1.04 0.54 -0.69 0.00 0.00 174.62 176.04 3kno s VAL 167 N 1.16 2.07 0.24 3.82 0.11 -0.55 -5.03 120.40 122.24 3kno s VAL 167 Ca 0.01 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.38 3kno s VAL 167 Cb -0.14 -2.52 -0.00 0.00 -1.53 0.00 0.00 36.38 32.19 3kno s VAL 167 CO -0.07 0.00 0.47 -0.04 -3.33 0.00 0.00 175.10 172.14 3kno s MET 168 N -5.22 1.51 -1.00 1.54 -1.94 -1.26 -4.05 119.30 108.88 3kno s MET 168 Ca 0.68 -1.21 -0.13 0.00 -1.71 0.00 0.00 55.69 53.32 3kno s MET 168 Cb -0.05 0.47 0.13 0.00 2.01 0.00 0.00 34.83 37.39 3kno s MET 168 CO 0.45 -0.63 0.32 -1.71 -0.01 0.00 0.00 175.02 173.44 3kno n ASN 169 N -0.37 -1.27 -4.78 3.03 5.15 -0.98 -4.87 115.26 111.17 3kno n ASN 169 Ca -0.03 -0.51 -0.35 0.00 -0.60 0.00 0.00 54.58 53.09 3kno n ASN 169 Cb 0.62 -1.15 -0.02 0.00 -0.53 0.00 0.00 39.78 38.70 3kno n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kno s LEU 170 N -5.45 3.90 -0.11 1.20 1.02 0.54 -4.75 118.68 115.04 3kno s LEU 170 Ca 0.44 2.09 -0.27 0.00 0.02 0.00 0.00 54.13 56.41 3kno s LEU 170 Cb -0.26 -4.44 -0.02 0.00 0.02 0.00 0.00 46.19 41.49 3kno s LEU 170 CO 0.54 -0.87 0.91 -0.70 0.02 0.00 0.00 176.35 176.25 3kno s GLU 171 N -3.01 4.40 -0.38 1.70 2.12 -1.26 -1.20 118.70 121.06 3kno s GLU 171 Ca 0.66 1.20 -0.26 0.00 0.36 0.00 0.00 54.97 56.94 3kno s GLU 171 Cb -0.22 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.66 3kno s GLU 171 CO 0.26 -0.24 0.93 0.08 -0.54 0.00 0.00 175.26 175.75 3kno s VAL 172 N 1.79 4.56 0.45 3.70 1.01 0.37 -2.98 120.40 129.30 3kno s VAL 172 Ca 0.44 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.64 3kno s VAL 172 Cb -0.18 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 31.86 3kno s VAL 172 CO 0.17 -0.59 0.51 -0.69 0.00 0.00 0.00 175.10 174.51 3kno s VAL 173 N 3.54 2.61 0.00 2.92 1.01 -1.19 -1.44 120.40 127.85 3kno s VAL 173 Ca 0.38 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3kno s VAL 173 Cb -0.12 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3kno s VAL 173 CO 0.20 0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.63 3kno n ASP 174 N -1.78 0.00 -4.00 3.32 4.64 -1.26 -4.14 116.55 113.33 3kno n ASP 174 Ca 0.07 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.17 3kno n ASP 174 Cb 0.61 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.53 3kno n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3kno s VAL 175 N 0.00 1.71 -0.43 5.18 -7.23 -1.26 -3.26 120.40 115.11 3kno s VAL 175 Ca 0.00 -1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 3kno s VAL 175 Cb 0.00 -1.79 0.03 0.00 0.56 0.00 0.00 36.38 35.18 3kno s VAL 175 CO 0.00 0.15 1.07 -0.63 -0.31 0.00 0.00 175.10 175.38 3kno s ILE 176 N 1.36 4.35 -0.01 -0.62 1.09 -1.00 -4.92 121.20 121.46 3kno s ILE 176 Ca -0.02 1.25 -0.23 0.00 -1.10 0.00 0.00 60.65 60.55 3kno s ILE 176 Cb -0.17 -4.51 -0.19 0.00 -1.06 0.00 0.00 42.46 36.54 3kno s ILE 176 CO -0.08 -0.83 1.24 1.55 -0.10 0.00 0.00 174.94 176.72 3kno h PRO 177 N 8.89 0.19 -0.06 2.79 0.13 -1.97 -1.38 132.00 140.60 3kno h PRO 177 Ca -0.23 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 3kno h PRO 177 Cb 1.06 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3kno h PRO 177 CO 1.08 0.70 0.28 1.49 -0.23 0.00 0.00 178.00 181.32 3kno h GLU 178 N -0.30 0.00 0.00 0.86 4.57 -1.97 -2.78 114.58 114.95 3kno h GLU 178 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kno h GLU 178 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3kno h GLU 178 CO 0.03 0.00 -0.03 0.39 -1.18 0.00 0.00 179.01 178.22 3kno n GLU 179 N -3.07 6.80 -1.53 1.92 4.71 -1.22 -5.01 120.64 123.24 3kno n GLU 179 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 3kno n GLU 179 Cb 0.35 -0.53 0.00 0.00 -1.01 0.00 0.00 31.44 30.26 3kno n GLU 179 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kno n ASN 180 N -1.01 -1.66 -4.95 1.62 3.02 -0.87 -4.99 115.26 106.41 3kno n ASN 180 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 3kno n ASN 180 Cb 0.01 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 3kno n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kno s LEU 181 N 0.00 4.19 -0.13 3.41 1.02 -0.57 -1.70 118.68 124.89 3kno s LEU 181 Ca 0.00 -0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.08 3kno s LEU 181 Cb 0.00 -2.77 0.06 0.00 0.02 0.00 0.00 46.19 43.51 3kno s LEU 181 CO 0.00 -0.13 0.27 -0.22 0.02 0.00 0.00 176.35 176.29 3kno s LEU 182 N -4.00 -0.17 0.21 1.79 2.96 -1.24 -2.37 118.68 115.86 3kno s LEU 182 Ca 0.36 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3kno s LEU 182 Cb -0.09 0.77 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 3kno s LEU 182 CO 0.29 -0.22 0.39 -0.76 -1.32 0.00 0.00 176.35 174.73 3kno s LEU 183 N 2.16 4.23 0.29 -0.68 1.02 -1.20 -0.00 118.68 124.49 3kno s LEU 183 Ca -0.01 0.35 -0.11 0.00 0.02 0.00 0.00 54.13 54.37 3kno s LEU 183 Cb -0.12 -3.13 0.01 0.00 0.02 0.00 0.00 46.19 42.97 3kno s LEU 183 CO -0.09 -0.06 0.53 0.68 0.02 0.00 0.00 176.35 177.43 3kno s VAL 184 N -1.91 0.00 -1.18 -1.59 -7.23 -0.86 -3.16 120.40 104.47 3kno s VAL 184 Ca 0.38 -1.38 -0.21 0.00 -1.81 0.00 0.00 61.98 58.96 3kno s VAL 184 Cb -0.11 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.49 3kno s VAL 184 CO 0.30 0.00 1.72 -0.54 -0.31 0.00 0.00 175.10 176.26 3kno s LYS 185 N -3.59 3.53 0.88 4.82 -0.14 -1.16 -1.81 119.74 122.29 3kno s LYS 185 Ca 0.23 -1.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 3kno s LYS 185 Cb -0.01 -5.41 0.00 0.00 -1.68 0.00 0.00 37.83 30.72 3kno s LYS 185 CO 0.12 -2.62 0.00 0.41 -0.76 0.00 0.00 175.35 172.50 3kno n GLY 186 N 5.95 0.26 3.59 -3.33 0.00 -1.23 -4.84 105.19 105.57 3kno n GLY 186 Ca 0.44 0.48 -0.51 0.00 0.00 0.00 0.00 46.02 46.42 3kno n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 187 N 4.22 0.73 -3.31 4.61 0.00 -1.26 -4.46 120.51 121.04 3kno n ALA 187 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 3kno n ALA 187 Cb 0.00 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 16.94 3kno n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kno s VAL 188 N 5.47 -0.81 1.00 0.00 0.11 -1.26 -4.93 120.40 119.97 3kno s VAL 188 Ca 1.02 -0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.84 3kno s VAL 188 Cb -0.84 -0.90 -0.17 0.00 -1.53 0.00 0.00 36.38 32.94 3kno s VAL 188 CO 0.54 -0.04 -1.09 -0.81 -3.33 0.00 0.00 175.10 170.36 3kno n PRO 189 N 5.40 0.00 -1.33 1.54 -0.04 -1.26 -4.90 135.00 134.41 3kno n PRO 189 Ca -0.03 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.59 3kno n PRO 189 Cb 0.50 -1.00 -0.08 0.00 -0.04 0.00 0.00 33.50 32.88 3kno n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kno n GLY 190 N 3.49 -3.16 1.45 0.55 0.00 -1.14 -4.63 105.19 101.76 3kno n GLY 190 Ca -0.02 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 3kno n GLY 190 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kno n PRO 191 N -4.16 -1.49 -2.62 1.61 -0.02 -1.26 -4.77 135.00 122.29 3kno n PRO 191 Ca -0.08 -0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 60.25 3kno n PRO 191 Cb 0.63 -0.63 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 3kno n PRO 191 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3kno s ASN 192 N -2.77 6.38 0.00 2.55 0.02 -1.26 -3.49 114.94 116.36 3kno s ASN 192 Ca 0.29 -1.17 0.00 0.00 -1.02 0.00 0.00 52.86 50.96 3kno s ASN 192 Cb -0.02 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.71 3kno s ASN 192 CO 0.22 -1.56 0.00 0.61 0.02 0.00 0.00 177.10 176.39 3kno n GLY 193 N 6.16 3.89 3.35 0.66 0.00 -0.92 -4.90 105.19 113.43 3kno n GLY 193 Ca 0.20 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 3kno n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 194 N 0.00 -2.29 3.59 -0.02 0.00 -1.23 -4.40 105.19 100.83 3kno n GLY 194 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kno n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kno s LEU 195 N 3.69 3.50 0.48 0.99 2.96 -1.26 -3.52 118.68 125.51 3kno s LEU 195 Ca 0.61 0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 54.90 3kno s LEU 195 Cb -0.74 -3.29 -0.02 0.00 0.50 0.00 0.00 46.19 42.64 3kno s LEU 195 CO 0.60 -1.51 0.75 0.68 -1.32 0.00 0.00 176.35 175.56 3kno s VAL 196 N 5.35 4.45 -0.40 1.68 -7.23 -0.18 -4.62 120.40 119.46 3kno s VAL 196 Ca 0.52 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.60 3kno s VAL 196 Cb -0.10 -3.68 0.15 0.00 0.56 0.00 0.00 36.38 33.31 3kno s VAL 196 CO 0.28 -0.60 0.26 -0.51 -0.31 0.00 0.00 175.10 174.22 3kno s ILE 197 N -2.69 0.51 0.70 -0.62 2.07 0.57 -1.85 121.20 119.89 3kno s ILE 197 Ca 0.48 -2.21 -0.15 0.00 -1.41 0.00 0.00 60.65 57.36 3kno s ILE 197 Cb -0.10 -1.37 0.02 0.00 0.13 0.00 0.00 42.46 41.14 3kno s ILE 197 CO 0.42 -1.04 1.17 -0.69 -1.91 0.00 0.00 174.94 172.89 3kno s VAL 198 N 0.58 2.67 0.22 4.00 1.01 -1.18 -3.38 120.40 124.31 3kno s VAL 198 Ca 0.22 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.31 3kno s VAL 198 Cb -0.15 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3kno s VAL 198 CO -0.06 -0.18 0.91 -0.13 0.00 0.00 0.00 175.10 175.65 3kno s ARG 199 N -3.95 1.47 1.14 2.72 0.52 -1.26 -3.32 118.95 116.27 3kno s ARG 199 Ca 0.72 -0.87 -0.17 0.00 -0.52 0.00 0.00 55.73 54.88 3kno s ARG 199 Cb -0.26 0.47 0.26 0.00 0.52 0.00 0.00 34.95 35.93 3kno s ARG 199 CO 0.43 -0.68 1.12 -2.00 0.02 0.00 0.00 175.30 174.19 3kno s GLU 200 N -3.01 -0.69 0.20 3.54 -6.30 -1.13 -2.63 118.70 108.68 3kno s GLU 200 Ca 0.15 0.02 0.01 0.00 -2.50 0.00 0.00 54.97 52.65 3kno s GLU 200 Cb -0.03 -1.65 0.01 0.00 0.00 0.00 0.00 34.13 32.47 3kno s GLU 200 CO 0.05 -3.38 0.12 -2.37 0.02 0.00 0.00 175.26 169.70 3kno n THR 201 N -4.54 0.00 -3.79 -1.70 5.66 -0.65 -4.11 114.28 105.15 3kno n THR 201 Ca 0.11 -0.84 -0.28 0.00 -3.05 0.00 0.00 64.05 59.99 3kno n THR 201 Cb 0.59 -0.22 -0.12 0.00 -1.55 0.00 0.00 70.33 69.04 3kno n THR 201 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kno s LYS 202 N -2.82 2.08 -0.13 1.09 3.01 -1.26 -4.98 119.74 116.74 3kno s LYS 202 Ca 0.09 -3.03 -0.06 0.00 -1.01 0.00 0.00 55.97 51.97 3kno s LYS 202 Cb -0.01 -2.95 -0.02 0.00 -1.01 0.00 0.00 37.83 33.84 3kno s LYS 202 CO 0.06 -1.30 -0.10 1.57 0.51 0.00 0.00 175.35 176.09 3kno h LYS 203 N 5.51 0.00 -0.01 1.68 2.10 -1.98 -3.43 116.57 120.44 3kno h LYS 203 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 3kno h LYS 203 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 3kno h LYS 203 CO 0.64 0.01 -0.13 0.00 -2.00 0.00 0.00 179.45 177.97 3kno n ALA 204 N -3.29 2.65 0.00 0.07 0.00 -1.26 -5.19 120.51 113.48 3kno n ALA 204 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3kno n ALA 204 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3kno n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50