#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n LYS 2 N 0.00 -0.89 0.00 0.03 5.02 -1.26 -3.58 118.16 117.48 3i8f n LYS 2 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3i8f n LYS 2 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3i8f n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8f n GLY 3 N -1.88 -1.06 0.87 0.72 0.00 -1.26 -4.55 105.19 98.02 3i8f n GLY 3 Ca -0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 3i8f n GLY 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i8f n ILE 4 N 0.00 -1.56 -4.42 -0.61 -5.35 -1.26 -4.22 119.36 101.93 3i8f n ILE 4 Ca 0.00 0.79 -0.26 0.00 -0.27 0.00 0.00 62.75 63.01 3i8f n ILE 4 Cb 0.00 -1.32 -0.11 0.00 -1.74 0.00 0.00 39.64 36.47 3i8f n ILE 4 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i8f s LEU 5 N -4.39 2.52 0.00 7.28 1.43 -1.26 -2.40 118.68 121.87 3i8f s LEU 5 Ca 0.00 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 3i8f s LEU 5 Cb 0.00 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 45.03 3i8f s LEU 5 CO 0.00 0.10 0.08 0.61 0.23 0.00 0.00 176.35 177.37 3i8f n GLY 6 N 0.02 1.99 3.75 -3.19 0.00 -0.54 -3.68 105.19 103.55 3i8f n GLY 6 Ca -0.10 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 3i8f n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8f s VAL 7 N -2.86 1.33 0.00 1.61 -7.23 -1.07 -1.70 120.40 110.47 3i8f s VAL 7 Ca 0.02 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3i8f s VAL 7 Cb -0.00 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3i8f s VAL 7 CO 0.01 0.00 0.17 1.17 -0.31 0.00 0.00 175.10 176.15 3i8f n LYS 8 N -1.26 0.00 0.00 4.82 3.00 -1.04 -4.33 118.16 119.35 3i8f n LYS 8 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 3i8f n LYS 8 Cb 0.67 -0.59 0.00 0.00 0.00 0.00 0.00 35.03 35.11 3i8f n LYS 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3i8f n VAL 9 N -0.28 0.00 0.00 3.15 0.24 -1.26 -3.82 118.33 116.35 3i8f n VAL 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i8f n VAL 9 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i8f n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i8f n GLY 10 N 0.00 0.63 0.00 7.63 0.00 -1.22 -4.76 105.19 107.47 3i8f n GLY 10 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3i8f n GLY 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i8f n MET 11 N 0.00 0.00 -0.12 1.61 1.56 -1.11 -4.66 117.12 114.39 3i8f n MET 11 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3i8f n MET 11 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 3i8f n MET 11 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 3i8f n THR 12 N -1.51 0.00 -4.41 1.12 -2.24 -1.26 -4.82 114.28 101.16 3i8f n THR 12 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 3i8f n THR 12 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 3i8f n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8f s ARG 13 N 0.73 0.90 -0.24 -0.78 1.70 -1.25 -2.63 118.95 117.37 3i8f s ARG 13 Ca 0.00 -0.56 -0.01 0.00 -0.47 0.00 0.00 55.73 54.68 3i8f s ARG 13 Cb 0.00 -0.87 0.07 0.00 -0.57 0.00 0.00 34.95 33.58 3i8f s ARG 13 CO 0.00 0.23 0.03 -1.50 -1.08 0.00 0.00 175.30 172.98 3i8f s ILE 14 N -0.56 0.88 -0.64 4.99 2.07 -0.57 -4.86 121.20 122.50 3i8f s ILE 14 Ca 0.02 -0.98 -0.26 0.00 -1.41 0.00 0.00 60.65 58.03 3i8f s ILE 14 Cb -0.06 -1.42 -0.11 0.00 0.13 0.00 0.00 42.46 41.00 3i8f s ILE 14 CO 0.00 -0.32 2.42 0.49 -1.91 0.00 0.00 174.94 175.62 3i8f n PHE 15 N 4.89 1.25 -3.17 3.50 3.01 -1.26 -3.47 117.46 122.22 3i8f n PHE 15 Ca -0.08 0.07 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 3i8f n PHE 15 Cb 0.45 -2.56 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 3i8f n PHE 15 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i8f n ARG 16 N 8.81 3.60 -1.19 -1.08 0.00 -1.07 -4.59 116.66 121.14 3i8f n ARG 16 Ca 0.43 -4.28 0.00 0.00 -0.00 0.00 0.00 57.85 54.00 3i8f n ARG 16 Cb 0.47 -2.68 0.00 0.00 0.00 0.00 0.00 32.46 30.25 3i8f n ARG 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3i8f n ASP 17 N 3.32 -1.58 -0.92 6.15 -0.08 -1.26 -4.19 116.55 117.98 3i8f n ASP 17 Ca 0.28 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.49 3i8f n ASP 17 Cb 0.39 -0.79 -0.03 0.00 2.34 0.00 0.00 41.12 43.03 3i8f n ASP 17 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i8f n ASP 18 N -0.78 -2.77 -3.63 1.67 8.00 -1.26 -4.87 116.55 112.91 3i8f n ASP 18 Ca 0.00 0.18 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 3i8f n ASP 18 Cb 0.38 -2.45 -0.15 0.00 -0.02 0.00 0.00 41.12 38.89 3i8f n ASP 18 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i8f s ARG 19 N -2.32 0.47 0.53 -1.24 0.52 -1.26 -5.12 118.95 110.53 3i8f s ARG 19 Ca 0.00 -0.84 -0.21 0.00 -0.52 0.00 0.00 55.73 54.16 3i8f s ARG 19 Cb 0.00 -1.58 -0.07 0.00 0.52 0.00 0.00 34.95 33.83 3i8f s ARG 19 CO 0.00 -1.01 1.07 0.00 0.02 0.00 0.00 175.30 175.38 3i8f n ALA 20 N 4.99 0.53 -2.46 2.13 0.00 -1.26 -2.61 120.51 121.83 3i8f n ALA 20 Ca -0.03 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 3i8f n ALA 20 Cb 0.42 -2.16 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 3i8f n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i8f s VAL 21 N -1.39 0.16 0.88 0.00 -7.23 -1.23 -4.87 120.40 106.72 3i8f s VAL 21 Ca 0.70 -1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 59.38 3i8f s VAL 21 Cb -0.46 -1.28 0.21 0.00 0.56 0.00 0.00 36.38 35.41 3i8f s VAL 21 CO 0.51 -0.74 0.91 -0.81 -0.31 0.00 0.00 175.10 174.66 3i8f n PRO 22 N 0.20 -2.05 0.11 4.82 -0.04 -1.26 -1.52 135.00 135.26 3i8f n PRO 22 Ca -0.16 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 3i8f n PRO 22 Cb 0.61 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3i8f n PRO 22 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i8f n VAL 23 N -3.99 0.00 0.00 0.52 0.24 -1.07 -4.20 118.33 109.82 3i8f n VAL 23 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3i8f n VAL 23 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3i8f n VAL 23 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i8f n THR 24 N -3.00 0.00 -0.87 3.34 -2.24 -1.26 -1.89 114.28 108.36 3i8f n THR 24 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i8f n THR 24 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3i8f n THR 24 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i8f n VAL 25 N 0.00 -3.35 0.00 2.28 0.31 -1.24 -2.77 118.33 113.57 3i8f n VAL 25 Ca 0.00 1.30 0.00 0.00 -0.01 0.00 0.00 64.34 65.63 3i8f n VAL 25 Cb 0.00 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 3i8f n VAL 25 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i8f n ILE 26 N -0.77 0.00 -3.18 2.52 5.41 0.73 -4.46 119.36 119.61 3i8f n ILE 26 Ca 0.00 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.56 3i8f n ILE 26 Cb 0.00 -0.49 0.02 0.00 -0.71 0.00 0.00 39.64 38.46 3i8f n ILE 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3i8f n LEU 27 N -2.15 -5.50 -4.29 1.39 7.94 -1.25 -2.60 117.00 110.54 3i8f n LEU 27 Ca 0.00 0.11 -0.44 0.00 -1.11 0.00 0.00 56.01 54.56 3i8f n LEU 27 Cb 0.40 -2.65 0.00 0.00 0.53 0.00 0.00 43.42 41.70 3i8f n LEU 27 CO 0.00 -1.21 1.15 0.00 -1.11 0.00 0.00 177.39 176.22 3i8f n ALA 28 N -0.63 4.36 -1.06 1.96 0.00 -0.94 -3.11 120.51 121.10 3i8f n ALA 28 Ca -0.00 -4.52 -0.36 0.00 0.00 0.00 0.00 53.44 48.56 3i8f n ALA 28 Cb 0.56 -2.69 0.03 0.00 0.00 0.00 0.00 19.45 17.35 3i8f n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 29 N 2.95 -3.93 3.50 0.00 0.00 -1.24 -4.67 105.19 101.80 3i8f n GLY 29 Ca 0.30 -0.53 -0.51 0.00 0.00 0.00 0.00 46.02 45.28 3i8f n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i8f n PRO 30 N 2.01 1.17 -3.49 1.61 -0.04 -1.26 -4.75 135.00 130.25 3i8f n PRO 30 Ca 0.02 0.35 -0.38 0.00 -0.04 0.00 0.00 63.50 63.45 3i8f n PRO 30 Cb 0.50 -2.42 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 3i8f n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8f n PRO 32 N 5.04 0.00 0.00 0.00 -0.04 -1.26 -0.53 135.00 138.21 3i8f n PRO 32 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3i8f n PRO 32 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 3i8f n PRO 32 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3i8f n VAL 33 N 0.00 0.00 -0.10 0.52 3.14 -1.26 -3.37 118.33 117.26 3i8f n VAL 33 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 3i8f n VAL 33 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 3i8f n VAL 33 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3i8f n VAL 34 N 0.00 1.50 -4.68 1.55 0.31 -1.25 -4.81 118.33 110.95 3i8f n VAL 34 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 3i8f n VAL 34 Cb 0.00 -2.14 -0.07 0.00 -0.91 0.00 0.00 33.84 30.72 3i8f n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8f n GLN 35 N -4.46 0.71 0.00 5.55 6.02 -1.26 -4.93 117.38 119.01 3i8f n GLN 35 Ca -0.27 -3.63 0.00 0.00 -0.01 0.00 0.00 57.00 53.09 3i8f n GLN 35 Cb 0.58 1.26 0.00 0.00 1.02 0.00 0.00 30.24 33.10 3i8f n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i8f n ARG 36 N -1.16 0.05 -3.97 -1.09 1.74 -1.26 -3.66 116.66 107.32 3i8f n ARG 36 Ca -0.16 -0.44 -0.32 0.00 -0.77 0.00 0.00 57.85 56.15 3i8f n ARG 36 Cb 0.63 -0.74 -0.07 0.00 -1.02 0.00 0.00 32.46 31.27 3i8f n ARG 36 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i8f n ARG 37 N -0.07 -0.82 -1.61 5.56 5.12 -1.24 -3.24 116.66 120.37 3i8f n ARG 37 Ca 0.00 0.10 -0.57 0.00 -1.93 0.00 0.00 57.85 55.45 3i8f n ARG 37 Cb 0.20 -3.56 -0.07 0.00 -1.16 0.00 0.00 32.46 27.86 3i8f n ARG 37 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i8f n THR 38 N -3.52 0.06 -0.46 0.55 -1.04 -1.26 -1.64 114.28 106.97 3i8f n THR 38 Ca -0.00 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.87 3i8f n THR 38 Cb 0.42 -0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.29 3i8f n THR 38 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3i8f n PRO 39 N 3.00 1.24 0.00 -2.82 -0.04 -1.26 -0.21 135.00 134.91 3i8f n PRO 39 Ca 0.22 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 3i8f n PRO 39 Cb 0.11 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3i8f n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i8f n GLU 40 N 4.11 0.00 -0.08 0.54 1.02 -1.26 -4.43 120.64 120.53 3i8f n GLU 40 Ca 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.48 3i8f n GLU 40 Cb 0.14 -0.07 0.11 0.00 -0.02 0.00 0.00 31.44 31.60 3i8f n GLU 40 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i8f n LYS 41 N -1.87 1.68 0.00 3.49 2.85 -0.58 -4.69 118.16 119.05 3i8f n LYS 41 Ca 0.00 -1.68 0.00 0.00 -1.05 0.00 0.00 58.31 55.58 3i8f n LYS 41 Cb 0.00 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 3i8f n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i8f n ASP 42 N 0.83 0.00 0.00 -5.58 8.00 0.71 -4.91 116.55 115.60 3i8f n ASP 42 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3i8f n ASP 42 Cb 0.41 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 3i8f n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8f n GLY 43 N 1.16 0.77 0.00 0.44 0.00 -1.01 -4.92 105.19 101.63 3i8f n GLY 43 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3i8f n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i8f n TYR 44 N -2.75 0.00 -1.91 1.61 4.11 -1.25 -4.87 117.16 112.10 3i8f n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3i8f n TYR 44 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.48 3i8f n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3i8f n THR 45 N 0.00-11.40 -3.80 -3.48 -1.04 -0.65 -4.54 114.28 89.36 3i8f n THR 45 Ca 0.00 2.71 -0.04 0.00 -2.04 0.00 0.00 64.05 64.68 3i8f n THR 45 Cb 0.00 -5.17 -0.00 0.00 -1.82 0.00 0.00 70.33 63.34 3i8f n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8f s ALA 46 N -0.45 -1.51 0.34 2.41 0.00 -1.20 -1.80 121.76 119.56 3i8f s ALA 46 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3i8f s ALA 46 Cb 0.00 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 3i8f s ALA 46 CO 0.00 -1.04 0.01 0.28 0.00 0.00 0.00 175.76 175.01 3i8f n VAL 47 N -0.53 0.00 0.00 0.00 0.31 -0.71 -3.59 118.33 113.81 3i8f n VAL 47 Ca -0.05 -1.66 0.00 0.00 -0.01 0.00 0.00 64.34 62.62 3i8f n VAL 47 Cb 0.60 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.89 3i8f n VAL 47 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3i8f n GLN 48 N -0.85 0.35 0.00 5.55 7.27 -1.24 -4.10 117.38 124.37 3i8f n GLN 48 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 3i8f n GLN 48 Cb 0.44 -0.54 0.00 0.00 2.41 0.00 0.00 30.24 32.55 3i8f n GLN 48 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i8f n LEU 49 N -0.62 0.00 0.20 1.69 4.77 -1.26 -2.64 117.00 119.14 3i8f n LEU 49 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8f n LEU 49 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i8f n LEU 49 CO 0.00 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 3i8f n GLY 50 N 0.00 -1.71 1.80 -0.72 0.00 -1.26 -3.87 105.19 99.43 3i8f n GLY 50 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3i8f n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i8f n PHE 51 N -3.32 -4.64 -1.34 1.61 7.35 -1.26 -3.67 117.46 112.18 3i8f n PHE 51 Ca 0.00 2.44 0.00 0.00 -0.76 0.00 0.00 57.45 59.13 3i8f n PHE 51 Cb 0.00 -3.59 0.00 0.00 0.35 0.00 0.00 39.48 36.24 3i8f n PHE 51 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3i8f n LEU 52 N -0.25 -4.35 0.00 -2.13 4.77 -1.26 -3.85 117.00 109.93 3i8f n LEU 52 Ca 0.00 1.86 0.00 0.00 -0.03 0.00 0.00 56.01 57.84 3i8f n LEU 52 Cb 0.00 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 3i8f n LEU 52 CO 0.00 -0.90 0.00 -0.81 -1.33 0.00 0.00 177.39 174.35 3i8f n PRO 53 N 0.93 0.00 -0.03 3.23 -0.04 -1.26 -2.36 135.00 135.46 3i8f n PRO 53 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8f n PRO 53 Cb 0.00 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 3i8f n PRO 53 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i8f n GLN 54 N -2.06 0.00 -3.37 0.54 1.13 -1.26 -3.21 117.38 109.15 3i8f n GLN 54 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3i8f n GLN 54 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 3i8f n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3i8f s ASN 55 N 0.00 -0.39 0.00 1.08 0.01 -1.26 -4.60 114.94 109.78 3i8f s ASN 55 Ca 0.00 0.64 -0.01 0.00 -0.71 0.00 0.00 52.86 52.78 3i8f s ASN 55 Cb 0.00 1.53 -0.06 0.00 0.41 0.00 0.00 41.25 43.13 3i8f s ASN 55 CO 0.00 -0.27 1.50 -2.65 -1.51 0.00 0.00 177.10 174.17 3i8f n PRO 56 N 5.39 0.74 -3.42 -0.60 -0.02 -1.26 -4.44 135.00 131.39 3i8f n PRO 56 Ca -0.04 -0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 61.04 3i8f n PRO 56 Cb 0.50 -1.47 0.09 0.00 -0.02 0.00 0.00 33.50 32.60 3i8f n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i8f n LYS 57 N 2.18 -6.23 -1.50 -0.52 4.76 -1.26 -4.71 118.16 110.89 3i8f n LYS 57 Ca 0.10 0.85 -0.27 0.00 -2.87 0.00 0.00 58.31 56.11 3i8f n LYS 57 Cb 0.35 -5.85 -0.20 0.00 -1.84 0.00 0.00 35.03 27.49 3i8f n LYS 57 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i8f n ARG 58 N -4.06 0.04 -1.12 1.97 5.12 -1.26 -3.83 116.66 113.51 3i8f n ARG 58 Ca -0.27 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.62 3i8f n ARG 58 Cb 0.67 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 3i8f n ARG 58 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i8f n VAL 59 N 6.21 0.00 0.00 1.55 0.31 -1.26 -4.82 118.33 120.32 3i8f n VAL 59 Ca 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 3i8f n VAL 59 Cb 0.13 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 3i8f n VAL 59 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3i8f n ASN 60 N 0.27 0.00 0.00 4.52 6.94 -1.25 -4.83 115.26 120.91 3i8f n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i8f n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3i8f n ASN 60 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3i8f n ARG 61 N 0.00 0.00 -1.16 -3.83 5.12 -1.26 -4.77 116.66 110.76 3i8f n ARG 61 Ca 0.00 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 3i8f n ARG 61 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 3i8f n ARG 61 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i8f n PRO 62 N 0.00 2.10 0.00 5.56 -0.04 -1.26 -4.15 135.00 137.21 3i8f n PRO 62 Ca 0.00 -1.47 0.04 0.00 -0.04 0.00 0.00 63.50 62.03 3i8f n PRO 62 Cb 0.00 -2.00 0.23 0.00 -0.04 0.00 0.00 33.50 31.69 3i8f n PRO 62 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i8f n LEU 63 N 1.80 0.00 -0.79 1.53 0.00 -1.26 -4.97 117.00 113.30 3i8f n LEU 63 Ca 0.43 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.55 3i8f n LEU 63 Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.15 3i8f n LEU 63 CO 0.20 0.00 -0.15 1.17 0.00 0.00 0.00 177.39 178.61 3i8f n LYS 64 N -0.67 -1.56 0.00 1.96 4.81 -1.26 -3.00 118.16 118.44 3i8f n LYS 64 Ca 0.06 1.04 0.02 0.00 -0.87 0.00 0.00 58.31 58.56 3i8f n LYS 64 Cb 0.03 -1.92 0.11 0.00 0.02 0.00 0.00 35.03 33.26 3i8f n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8f n GLY 65 N -2.56 -0.23 0.00 3.14 0.00 -1.26 -4.85 105.19 99.42 3i8f n GLY 65 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i8f n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i8f n HIS 66 N -0.74 0.00 -0.13 1.61 8.25 -1.16 -4.63 115.22 118.42 3i8f n HIS 66 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 3i8f n HIS 66 Cb 0.01 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.32 3i8f n HIS 66 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3i8f n PHE 67 N 0.00 1.34 0.00 4.41 -1.74 -1.26 -4.94 117.46 115.27 3i8f n PHE 67 Ca 0.00 -0.64 0.00 0.00 -0.56 0.00 0.00 57.45 56.25 3i8f n PHE 67 Cb 0.00 -0.42 0.00 0.00 1.52 0.00 0.00 39.48 40.58 3i8f n PHE 67 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3i8f n ALA 68 N 0.14 0.00 -0.03 1.98 0.00 -1.26 -4.84 120.51 116.50 3i8f n ALA 68 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i8f n ALA 68 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 3i8f n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8f n LYS 69 N 0.00 0.00 0.02 0.00 3.00 -1.26 -1.06 118.16 118.86 3i8f n LYS 69 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 3i8f n LYS 69 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 3i8f n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8f h ALA 70 N -0.03 0.64 0.00 3.14 0.00 -1.99 -3.46 119.26 117.56 3i8f h ALA 70 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 3i8f h ALA 70 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i8f h ALA 70 CO 0.00 1.35 0.00 0.41 0.00 0.00 0.00 179.25 181.01 3i8f n GLY 71 N 1.46 -0.22 0.00 0.00 0.00 -0.22 -4.18 105.19 102.03 3i8f n GLY 71 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i8f n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8f n VAL 72 N 0.00 0.08 -1.26 1.61 0.31 -1.26 -4.82 118.33 112.99 3i8f n VAL 72 Ca 0.00 0.28 0.06 0.00 -0.01 0.00 0.00 64.34 64.66 3i8f n VAL 72 Cb 0.00 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 3i8f n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i8f n GLU 73 N -0.81 -2.44 -2.88 5.55 2.13 -1.26 -4.54 120.64 116.39 3i8f n GLU 73 Ca 0.00 1.94 -0.38 0.00 0.66 0.00 0.00 57.16 59.38 3i8f n GLU 73 Cb 0.26 -2.77 -0.06 0.00 0.27 0.00 0.00 31.44 29.13 3i8f n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3i8f s PRO 74 N -4.76 4.58 0.14 5.31 0.04 -1.22 -4.52 135.00 134.57 3i8f s PRO 74 Ca 0.00 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 3i8f s PRO 74 Cb 0.00 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.51 3i8f s PRO 74 CO 0.00 0.43 1.68 0.28 0.04 0.00 0.00 177.00 179.43 3i8f h VAL 75 N 2.94 1.21 -0.71 -0.36 2.07 -1.43 -3.30 116.25 116.67 3i8f h VAL 75 Ca -0.47 -0.67 -0.38 0.00 0.82 0.00 0.00 66.70 66.00 3i8f h VAL 75 Cb 1.20 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 3i8f h VAL 75 CO 0.66 0.25 1.07 -0.60 0.02 0.00 0.00 177.57 178.97 3i8f s ARG 76 N -5.49 2.81 -0.02 1.57 6.06 -1.25 -4.85 118.95 117.79 3i8f s ARG 76 Ca -0.13 -0.82 -0.09 0.00 -2.50 0.00 0.00 55.73 52.19 3i8f s ARG 76 Cb 0.11 -5.20 -0.11 0.00 0.06 0.00 0.00 34.95 29.81 3i8f s ARG 76 CO 0.77 -3.29 0.85 -0.89 -2.50 0.00 0.00 175.30 170.24 3i8f n ILE 77 N 7.58 0.00 0.00 4.11 5.41 -1.24 -4.59 119.36 130.63 3i8f n ILE 77 Ca 0.41 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3i8f n ILE 77 Cb 0.47 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 3i8f n ILE 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i8f n LEU 78 N 5.32 0.00 0.00 1.39 -0.00 -1.24 -5.02 117.00 117.45 3i8f n LEU 78 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 3i8f n LEU 78 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 3i8f n LEU 78 CO 0.53 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.46 3i8f n ARG 79 N 0.00 0.00 0.00 1.47 3.00 -1.08 -4.98 116.66 115.06 3i8f n ARG 79 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3i8f n ARG 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i8f n ARG 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3i8f n GLU 80 N 0.00 0.33 0.00 5.56 1.02 -1.26 -4.37 120.64 121.92 3i8f n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i8f n GLU 80 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 3i8f n GLU 80 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i8f n ILE 81 N 0.00 0.00 -0.29 -3.67 2.08 -1.26 -1.73 119.36 114.48 3i8f n ILE 81 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i8f n ILE 81 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i8f n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3i8f n ARG 82 N 0.00 -0.42 -3.79 0.38 3.00 -1.26 -4.83 116.66 109.74 3i8f n ARG 82 Ca 0.00 0.44 -0.25 0.00 -0.00 0.00 0.00 57.85 58.04 3i8f n ARG 82 Cb 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 32.46 32.16 3i8f n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i8f n ASP 83 N -0.25 -2.97 -4.17 6.15 8.00 -0.75 -4.50 116.55 118.06 3i8f n ASP 83 Ca 0.00 -0.79 -0.15 0.00 0.71 0.00 0.00 54.79 54.56 3i8f n ASP 83 Cb 0.00 -4.01 -0.11 0.00 -0.02 0.00 0.00 41.12 36.98 3i8f n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i8f s PHE 84 N -3.50 1.07 -0.34 1.24 5.99 -1.26 0.27 117.98 121.45 3i8f s PHE 84 Ca 0.32 -0.64 -0.05 0.00 0.00 0.00 0.00 56.93 56.56 3i8f s PHE 84 Cb -0.16 -0.59 0.24 0.00 0.00 0.00 0.00 43.02 42.52 3i8f s PHE 84 CO 0.82 0.01 1.16 -1.71 -0.00 0.00 0.00 175.22 175.49 3i8f n ASN 85 N 0.62 -1.39 -2.68 6.13 2.85 -1.26 -4.02 115.26 115.50 3i8f n ASN 85 Ca -0.16 -1.32 0.00 0.00 -0.11 0.00 0.00 54.58 52.99 3i8f n ASN 85 Cb 0.57 0.73 0.00 0.00 1.24 0.00 0.00 39.78 42.32 3i8f n ASN 85 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i8f n PRO 86 N 2.12 1.20 -2.10 1.20 -0.04 -1.26 -4.86 135.00 131.26 3i8f n PRO 86 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 3i8f n PRO 86 Cb 0.67 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.12 3i8f n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i8f n GLU 87 N -0.01 2.63 -0.78 0.54 0.28 -1.26 -4.84 120.64 117.20 3i8f n GLU 87 Ca 0.00 -2.79 0.00 0.00 -0.16 0.00 0.00 57.16 54.21 3i8f n GLU 87 Cb 0.00 -3.42 0.00 0.00 1.43 0.00 0.00 31.44 29.45 3i8f n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i8f n GLY 88 N 5.02 0.00 2.72 -1.84 0.00 -1.26 -4.27 105.19 105.57 3i8f n GLY 88 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 3i8f n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8f n ASP 89 N 2.73 -2.26 -0.21 1.61 2.03 -1.26 -4.99 116.55 114.19 3i8f n ASP 89 Ca 0.00 -3.46 0.00 0.00 0.52 0.00 0.00 54.79 51.85 3i8f n ASP 89 Cb 0.20 1.84 0.00 0.00 -0.72 0.00 0.00 41.12 42.43 3i8f n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3i8f n THR 90 N 0.48 -1.57 -3.85 5.18 -1.04 -1.22 -4.98 114.28 107.29 3i8f n THR 90 Ca 0.05 0.32 -0.36 0.00 -2.04 0.00 0.00 64.05 62.02 3i8f n THR 90 Cb 0.70 -0.78 -0.13 0.00 -1.82 0.00 0.00 70.33 68.30 3i8f n THR 90 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i8f s VAL 91 N -1.76 3.60 0.00 12.58 0.11 0.31 -4.89 120.40 130.34 3i8f s VAL 91 Ca 0.00 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3i8f s VAL 91 Cb 0.00 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 3i8f s VAL 91 CO 0.00 0.25 0.00 0.35 -3.33 0.00 0.00 175.10 172.37 3i8f n THR 92 N 4.81 0.00 -0.02 5.04 -2.24 -1.26 -2.82 114.28 117.79 3i8f n THR 92 Ca -0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 3i8f n THR 92 Cb 0.49 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3i8f n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i8f n VAL 93 N 0.00 0.23 0.00 2.28 0.31 -1.26 -4.67 118.33 115.21 3i8f n VAL 93 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3i8f n VAL 93 Cb 0.00 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3i8f n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8f n GLU 94 N -2.32 0.00 0.26 5.55 1.02 -1.26 -2.44 120.64 121.44 3i8f n GLU 94 Ca -0.06 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.24 3i8f n GLU 94 Cb 0.59 -0.98 0.53 0.00 -0.02 0.00 0.00 31.44 31.56 3i8f n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i8f h ILE 95 N 0.00 0.00 -3.30 -3.67 5.03 -1.97 -3.41 117.51 110.18 3i8f h ILE 95 Ca 0.00 -0.65 -0.67 0.00 -0.12 0.00 0.00 64.86 63.42 3i8f h ILE 95 Cb 0.00 1.65 -0.30 0.00 -3.03 0.00 0.00 36.82 35.14 3i8f h ILE 95 CO 0.00 0.00 -0.81 -0.36 -0.68 0.00 0.00 178.15 176.30 3i8f s PHE 96 N -3.52 2.74 -0.02 1.37 0.08 -1.02 -5.04 117.98 112.56 3i8f s PHE 96 Ca 0.03 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 3i8f s PHE 96 Cb 0.08 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 3i8f s PHE 96 CO 0.58 -0.38 0.08 0.15 -0.10 0.00 0.00 175.22 175.55 3i8f s LYS 97 N 0.56 3.09 0.41 0.44 1.02 -1.26 -4.97 119.74 119.02 3i8f s LYS 97 Ca -0.10 -0.44 -0.22 0.00 0.02 0.00 0.00 55.97 55.23 3i8f s LYS 97 Cb -0.16 -2.88 -0.14 0.00 -0.52 0.00 0.00 37.83 34.13 3i8f s LYS 97 CO 0.04 0.67 0.33 -2.30 -0.92 0.00 0.00 175.35 173.17 3i8f n PRO 98 N 1.37 0.28 -1.03 -1.68 -0.02 -1.26 -2.66 135.00 130.00 3i8f n PRO 98 Ca -0.14 0.10 -0.01 0.00 -2.02 0.00 0.00 63.50 61.43 3i8f n PRO 98 Cb 0.53 -1.25 -0.00 0.00 -0.02 0.00 0.00 33.50 32.75 3i8f n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i8f n GLY 99 N 2.05 0.49 3.87 -1.23 0.00 -0.01 -5.01 105.19 105.36 3i8f n GLY 99 Ca 0.12 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3i8f n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8f s GLU 100 N -1.00 3.38 0.14 1.61 2.02 -1.09 -4.85 118.70 118.91 3i8f s GLU 100 Ca 0.00 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 54.53 3i8f s GLU 100 Cb 0.00 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 31.07 3i8f s GLU 100 CO 0.00 0.71 0.61 1.03 0.02 0.00 0.00 175.26 177.63 3i8f s ARG 101 N -1.56 4.15 0.07 1.61 1.81 -1.26 -0.89 118.95 122.89 3i8f s ARG 101 Ca 0.22 0.70 -0.03 0.00 -1.72 0.00 0.00 55.73 54.90 3i8f s ARG 101 Cb -0.12 -3.04 -0.03 0.00 -0.45 0.00 0.00 34.95 31.31 3i8f s ARG 101 CO 0.12 0.52 0.04 0.14 -0.68 0.00 0.00 175.30 175.44 3i8f s VAL 102 N -1.34 0.19 0.23 3.52 -7.23 0.37 -4.27 120.40 111.86 3i8f s VAL 102 Ca 0.36 -1.66 0.06 0.00 -1.81 0.00 0.00 61.98 58.92 3i8f s VAL 102 Cb -0.17 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 3i8f s VAL 102 CO 0.20 -0.84 0.25 -1.81 -0.31 0.00 0.00 175.10 172.59 3i8f s ASP 103 N -2.92 5.86 -0.29 4.85 1.01 0.50 -0.32 116.67 125.35 3i8f s ASP 103 Ca 0.09 -0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.25 3i8f s ASP 103 Cb 0.07 -1.60 0.13 0.00 1.01 0.00 0.00 42.92 42.53 3i8f s ASP 103 CO -0.09 -0.03 0.29 -0.69 0.21 0.00 0.00 175.17 174.86 3i8f s VAL 104 N -2.00 -0.38 0.57 -1.27 1.01 -1.04 -0.98 120.40 116.31 3i8f s VAL 104 Ca 0.33 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 3i8f s VAL 104 Cb -0.09 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3i8f s VAL 104 CO 0.26 -0.48 1.06 -0.89 0.00 0.00 0.00 175.10 175.05 3i8f s THR 105 N 2.34 3.78 -0.09 3.92 2.01 -0.84 -2.71 115.64 124.06 3i8f s THR 105 Ca 0.09 0.89 -0.32 0.00 0.31 0.00 0.00 61.69 62.67 3i8f s THR 105 Cb -0.14 -3.39 0.12 0.00 0.01 0.00 0.00 72.50 69.10 3i8f s THR 105 CO -0.33 -0.45 1.17 -0.83 -0.69 0.00 0.00 174.62 173.49 3i8f s GLY 106 N -2.62 -0.35 -0.40 4.40 0.00 -0.29 -2.16 107.32 105.91 3i8f s GLY 106 Ca 0.64 1.13 -0.17 0.00 0.00 0.00 0.00 44.72 46.33 3i8f s GLY 106 CO 0.34 0.34 0.41 -1.59 0.00 0.00 0.00 173.10 172.60 3i8f s THR 107 N -2.58 5.12 0.74 0.90 2.01 -1.26 -0.08 115.64 120.49 3i8f s THR 107 Ca 0.10 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.69 3i8f s THR 107 Cb 0.01 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 3i8f s THR 107 CO -0.04 -0.33 0.73 -1.54 -0.69 0.00 0.00 174.62 172.74 3i8f n SER 108 N 5.52 -0.48 -4.60 3.53 3.41 0.12 -2.68 113.62 118.43 3i8f n SER 108 Ca -0.08 0.60 -0.43 0.00 -0.26 0.00 0.00 58.87 58.70 3i8f n SER 108 Cb 0.48 -1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.10 3i8f n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i8f s LYS 109 N -3.11 3.53 -0.54 4.33 1.02 -1.26 -0.66 119.74 123.04 3i8f s LYS 109 Ca 0.68 1.22 -0.26 0.00 0.02 0.00 0.00 55.97 57.63 3i8f s LYS 109 Cb -0.34 -4.08 -0.08 0.00 -0.52 0.00 0.00 37.83 32.81 3i8f s LYS 109 CO 0.55 -1.62 2.42 0.41 -0.92 0.00 0.00 175.35 176.20 3i8f n GLY 110 N 5.13 0.13 0.00 -3.33 0.00 -1.26 -3.69 105.19 102.16 3i8f n GLY 110 Ca 0.19 0.62 0.12 0.00 0.00 0.00 0.00 46.02 46.95 3i8f n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 111 N 8.97 0.69 0.00 1.61 1.74 0.78 -4.76 116.66 125.69 3i8f n ARG 111 Ca 0.39 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3i8f n ARG 111 Cb 0.52 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3i8f n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8f n GLY 112 N 0.49 0.45 3.54 -0.13 0.00 -1.10 -4.24 105.19 104.20 3i8f n GLY 112 Ca 0.17 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 3i8f n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i8f n PHE 113 N 4.22 4.73 -3.01 1.61 7.35 -1.26 0.58 117.46 131.67 3i8f n PHE 113 Ca 0.00 -2.97 -0.32 0.00 -0.76 0.00 0.00 57.45 53.39 3i8f n PHE 113 Cb 0.00 -2.52 -0.06 0.00 0.35 0.00 0.00 39.48 37.25 3i8f n PHE 113 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i8f s ALA 114 N 3.53 3.25 0.45 3.13 0.00 0.20 -4.85 121.76 127.47 3i8f s ALA 114 Ca 0.51 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.50 3i8f s ALA 114 Cb 0.02 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3i8f s ALA 114 CO 0.06 0.23 0.77 0.20 0.00 0.00 0.00 175.76 177.02 3i8f s GLY 115 N -2.37 1.65 0.90 0.00 0.00 -1.26 -2.10 107.32 104.13 3i8f s GLY 115 Ca 0.56 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.75 3i8f s GLY 115 CO 0.18 -0.25 1.16 1.55 0.00 0.00 0.00 173.10 175.74 3i8f n VAL 116 N -1.91 0.40 -2.12 1.40 3.14 -1.26 -2.24 118.33 115.74 3i8f n VAL 116 Ca 0.01 -0.04 -0.03 0.00 -2.96 0.00 0.00 64.34 61.32 3i8f n VAL 116 Cb 0.55 -1.04 0.01 0.00 -1.06 0.00 0.00 33.84 32.30 3i8f n VAL 116 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3i8f n MET 117 N -4.06 -0.65 0.00 1.45 0.00 -1.26 -4.60 117.12 107.99 3i8f n MET 117 Ca 0.12 0.64 0.00 0.00 -0.00 0.00 0.00 57.70 58.46 3i8f n MET 117 Cb 0.52 -3.13 0.00 0.00 0.00 0.00 0.00 33.22 30.61 3i8f n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3i8f n LYS 118 N -1.67 0.00 -0.30 2.12 0.00 -1.24 -4.68 118.16 112.38 3i8f n LYS 118 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.26 3i8f n LYS 118 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.66 3i8f n LYS 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3i8f h ARG 119 N 0.00 1.19 0.00 1.64 1.12 -1.70 -3.33 114.38 113.30 3i8f h ARG 119 Ca 0.00 -0.15 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 3i8f h ARG 119 Cb 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 29.73 3i8f h ARG 119 CO 0.00 0.88 0.00 0.91 -3.11 0.00 0.00 179.97 178.65 3i8f n TRP 120 N -4.33 0.00 -1.25 2.20 7.02 -1.26 -5.02 117.44 114.80 3i8f n TRP 120 Ca 0.09 -0.19 -0.09 0.00 -1.02 0.00 0.00 57.50 56.29 3i8f n TRP 120 Cb 0.11 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 28.95 3i8f n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i8f n ASN 121 N -0.19 -5.05 -4.29 -0.99 4.13 -1.25 -4.66 115.26 102.96 3i8f n ASN 121 Ca 0.00 0.21 -0.33 0.00 1.68 0.00 0.00 54.58 56.14 3i8f n ASN 121 Cb 0.37 -3.31 0.13 0.00 -1.54 0.00 0.00 39.78 35.43 3i8f n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3i8f n PHE 122 N -2.41 -1.75 0.06 3.10 3.01 -1.26 -4.78 117.46 113.42 3i8f n PHE 122 Ca -0.09 0.20 -0.02 0.00 1.01 0.00 0.00 57.45 58.55 3i8f n PHE 122 Cb 0.45 -1.63 -0.07 0.00 -0.01 0.00 0.00 39.48 38.22 3i8f n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i8f h ALA 123 N -1.69 0.62 -0.66 4.37 0.00 -1.93 -3.40 119.26 116.57 3i8f h ALA 123 Ca -0.48 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.59 3i8f h ALA 123 Cb 1.32 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3i8f h ALA 123 CO 0.34 1.00 0.00 0.41 0.00 0.00 0.00 179.25 181.00 3i8f n GLY 124 N 1.36 0.14 1.04 0.00 0.00 -1.25 -4.87 105.19 101.62 3i8f n GLY 124 Ca -0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 3i8f n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 125 N 0.00 2.94 3.82 -0.02 0.00 -1.14 -4.85 105.19 105.94 3i8f n GLY 125 Ca 0.00 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 3i8f n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i8f s PRO 126 N -2.62 4.26 0.00 1.61 0.02 -1.26 -4.71 135.00 132.31 3i8f s PRO 126 Ca 0.09 1.07 0.13 0.00 0.02 0.00 0.00 61.00 62.30 3i8f s PRO 126 Cb -0.01 -2.39 0.45 0.00 0.02 0.00 0.00 34.50 32.57 3i8f s PRO 126 CO 0.05 0.09 1.34 -0.25 -0.33 0.00 0.00 177.00 177.90 3i8f n ASP 127 N -0.27 1.44 0.00 2.53 9.92 -1.26 -4.55 116.55 124.36 3i8f n ASP 127 Ca 0.05 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.43 3i8f n ASP 127 Cb 0.53 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 3i8f n ASP 127 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3i8f n SER 128 N 0.25 0.00 0.00 -2.24 2.88 -1.26 -5.01 113.62 108.23 3i8f n SER 128 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 3i8f n SER 128 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3i8f n SER 128 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3i8f n HIS 129 N 0.00 0.00 0.00 0.66 8.25 -1.26 -2.76 115.22 120.11 3i8f n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i8f n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i8f n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8f n GLY 130 N 0.00 -0.10 0.00 -1.41 0.00 -1.26 -4.91 105.19 97.52 3i8f n GLY 130 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i8f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8f n ALA 131 N -1.02 0.00 0.00 4.61 0.00 -1.11 -5.11 120.51 117.88 3i8f n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8f n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8f n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i8f n HIS 132 N 0.00 0.00 -0.39 0.00 -0.00 -1.26 -3.95 115.22 109.62 3i8f n HIS 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i8f n HIS 132 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3i8f n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i8f n LYS 133 N 0.41 -0.36 -0.37 1.57 5.02 -1.26 -4.32 118.16 118.86 3i8f n LYS 133 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 3i8f n LYS 133 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 3i8f n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3i8f n ILE 134 N -0.10 0.94 0.09 -0.18 -0.00 -1.25 -4.82 119.36 114.03 3i8f n ILE 134 Ca 0.00 -1.21 0.03 0.00 -0.00 0.00 0.00 62.75 61.57 3i8f n ILE 134 Cb 0.00 0.17 0.15 0.00 -0.00 0.00 0.00 39.64 39.95 3i8f n ILE 134 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3i8f n HIS 135 N -0.66 0.18 -1.08 4.28 -0.00 -1.26 -1.16 115.22 115.52 3i8f n HIS 135 Ca 0.08 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 3i8f n HIS 135 Cb 0.70 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 3i8f n HIS 135 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3i8f n ARG 136 N -1.63 0.00 -1.73 -0.41 1.74 -1.26 -3.37 116.66 110.00 3i8f n ARG 136 Ca -0.00 -0.43 -0.29 0.00 -0.77 0.00 0.00 57.85 56.35 3i8f n ARG 136 Cb 0.36 -0.46 0.15 0.00 -1.02 0.00 0.00 32.46 31.49 3i8f n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i8f s HIS 137 N 0.00 2.06 0.01 -1.55 3.76 -0.31 -4.69 115.29 114.58 3i8f s HIS 137 Ca 0.00 0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 55.48 3i8f s HIS 137 Cb 0.00 -3.70 -0.27 0.00 1.11 0.00 0.00 32.58 29.73 3i8f s HIS 137 CO 0.00 -2.49 0.90 -1.00 -0.85 0.00 0.00 174.74 171.30 3i8f h PRO 138 N -1.56 0.21 0.00 8.40 0.13 -1.93 -3.31 132.00 133.94 3i8f h PRO 138 Ca -0.46 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 3i8f h PRO 138 Cb 1.29 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.56 3i8f h PRO 138 CO 0.51 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 3i8f n GLY 139 N 1.63 -1.02 3.49 1.56 0.00 -1.26 -4.87 105.19 104.71 3i8f n GLY 139 Ca -0.15 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 3i8f n GLY 139 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i8f n SER 140 N 0.26 -0.87 0.00 1.61 2.88 -1.26 -4.93 113.62 111.31 3i8f n SER 140 Ca 0.00 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 3i8f n SER 140 Cb 0.00 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 3i8f n SER 140 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i8f n ILE 141 N -1.99 0.03 -1.45 2.46 -5.35 -1.26 -5.12 119.36 106.69 3i8f n ILE 141 Ca 0.11 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 3i8f n ILE 141 Cb 0.49 1.53 0.00 0.00 -1.74 0.00 0.00 39.64 39.92 3i8f n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i8f n GLY 142 N -0.02 3.50 0.00 3.28 0.00 -1.26 -4.70 105.19 106.00 3i8f n GLY 142 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3i8f n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i8f n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.13 115.26 115.51 3i8f n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i8f n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i8f n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i8f n ARG 144 N 0.00 0.00 0.27 3.52 5.12 -1.26 -4.98 116.66 119.32 3i8f n ARG 144 Ca 0.00 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.09 3i8f n ARG 144 Cb 0.00 0.00 0.93 0.00 -1.16 0.00 0.00 32.46 32.23 3i8f n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3i8f h LYS 145 N 0.00 0.00 -3.17 5.56 1.57 -2.01 -2.84 116.57 115.69 3i8f h LYS 145 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 3i8f h LYS 145 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 3i8f h LYS 145 CO 0.00 0.00 -0.63 0.95 -0.57 0.00 0.00 179.45 179.20 3i8f s THR 146 N -3.89 -0.18 0.19 -0.16 -4.23 -1.26 -3.59 115.64 102.53 3i8f s THR 146 Ca -0.04 0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 3i8f s THR 146 Cb 0.10 -0.27 0.11 0.00 1.34 0.00 0.00 72.50 73.79 3i8f s THR 146 CO 0.31 0.12 1.77 1.55 -0.54 0.00 0.00 174.62 177.83 3i8f h PRO 147 N 7.93 0.45 0.00 3.99 0.13 -1.98 -3.45 132.00 139.08 3i8f h PRO 147 Ca -0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3i8f h PRO 147 Cb 1.12 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3i8f h PRO 147 CO 0.25 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 3i8f n GLY 148 N -1.27 0.87 0.00 1.56 0.00 -1.07 -5.04 105.19 100.24 3i8f n GLY 148 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3i8f n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i8f n ARG 149 N -2.21 0.00 -4.77 1.61 1.85 -1.26 -5.02 116.66 106.86 3i8f n ARG 149 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 3i8f n ARG 149 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 3i8f n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i8f s VAL 150 N -2.24 1.36 -0.12 8.89 1.01 -1.26 -4.69 120.40 123.34 3i8f s VAL 150 Ca 0.00 -0.66 -0.39 0.00 0.00 0.00 0.00 61.98 60.93 3i8f s VAL 150 Cb 0.00 -1.18 -0.17 0.00 0.00 0.00 0.00 36.38 35.03 3i8f s VAL 150 CO 0.00 0.40 1.50 -1.22 0.00 0.00 0.00 175.10 175.77 3i8f n TYR 151 N 3.32 1.66 -1.63 5.22 4.01 -1.26 -4.76 117.16 123.72 3i8f n TYR 151 Ca -0.19 0.69 -0.15 0.00 -0.16 0.00 0.00 57.90 58.08 3i8f n TYR 151 Cb 0.53 -2.35 -0.10 0.00 -0.31 0.00 0.00 39.34 37.11 3i8f n TYR 151 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3i8f s LYS 152 N 1.89 1.34 0.00 -0.72 2.47 -1.26 -1.11 119.74 122.35 3i8f s LYS 152 Ca 0.93 -0.29 0.00 0.00 -1.56 0.00 0.00 55.97 55.05 3i8f s LYS 152 Cb -1.08 -4.96 0.00 0.00 -1.46 0.00 0.00 37.83 30.33 3i8f s LYS 152 CO 0.59 -5.20 0.00 0.41 0.16 0.00 0.00 175.35 171.31 3i8f n GLY 153 N 6.28 -0.31 3.50 5.54 0.00 -1.26 -5.11 105.19 113.83 3i8f n GLY 153 Ca 0.43 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.95 3i8f n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8f n LYS 154 N 0.00 0.58 -2.22 1.61 3.00 -0.27 -4.81 118.16 116.06 3i8f n LYS 154 Ca 0.00 0.21 -0.43 0.00 -0.00 0.00 0.00 58.31 58.09 3i8f n LYS 154 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.51 3i8f n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i8f s LYS 155 N -0.76 4.22 0.15 1.64 1.02 -1.26 -4.98 119.74 119.77 3i8f s LYS 155 Ca 0.70 1.93 0.02 0.00 0.02 0.00 0.00 55.97 58.64 3i8f s LYS 155 Cb -0.92 -3.83 -0.01 0.00 -0.52 0.00 0.00 37.83 32.55 3i8f s LYS 155 CO 0.56 -0.75 0.09 -1.33 -0.92 0.00 0.00 175.35 173.00 3i8f n MET 156 N 6.66 0.48 -2.04 1.68 2.81 -1.26 -5.08 117.12 120.37 3i8f n MET 156 Ca 0.15 -1.38 -0.32 0.00 -1.81 0.00 0.00 57.70 54.34 3i8f n MET 156 Cb 0.44 0.93 0.00 0.00 -0.71 0.00 0.00 33.22 33.88 3i8f n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i8f s ALA 157 N -2.50 2.87 0.00 3.04 0.00 -1.26 -4.65 121.76 119.27 3i8f s ALA 157 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3i8f s ALA 157 Cb 0.01 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3i8f s ALA 157 CO 0.09 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3i8f n GLY 158 N -1.57 -0.94 3.74 0.00 0.00 -0.89 -4.98 105.19 100.55 3i8f n GLY 158 Ca 0.07 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3i8f n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i8f s HIS 159 N -3.00 3.62 -0.04 1.61 3.76 -1.26 -0.63 115.29 119.35 3i8f s HIS 159 Ca 0.00 1.64 -0.02 0.00 -0.15 0.00 0.00 55.06 56.53 3i8f s HIS 159 Cb 0.00 -3.26 0.03 0.00 1.11 0.00 0.00 32.58 30.47 3i8f s HIS 159 CO 0.00 -0.52 0.08 -0.47 -0.85 0.00 0.00 174.74 172.98 3i8f s TYR 160 N -0.46 -0.03 0.00 1.40 6.04 0.20 -4.87 117.35 119.62 3i8f s TYR 160 Ca 0.48 0.31 0.00 0.00 0.04 0.00 0.00 57.07 57.90 3i8f s TYR 160 Cb -0.30 -0.28 0.00 0.00 -1.04 0.00 0.00 41.96 40.35 3i8f s TYR 160 CO 0.36 -0.16 0.00 0.41 -1.54 0.00 0.00 175.55 174.62 3i8f n GLY 161 N 4.66 -1.42 3.43 8.97 0.00 -1.26 -0.16 105.19 119.41 3i8f n GLY 161 Ca -0.17 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.52 3i8f n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8f n ALA 162 N -0.17 -1.08 -2.38 4.61 0.00 0.16 -4.65 120.51 117.01 3i8f n ALA 162 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 3i8f n ALA 162 Cb 0.00 -2.78 -0.10 0.00 0.00 0.00 0.00 19.45 16.57 3i8f n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i8f s GLU 163 N -6.08 1.42 0.07 0.00 -1.05 -1.24 -4.80 118.70 107.03 3i8f s GLU 163 Ca 0.42 -1.70 -0.31 0.00 -0.15 0.00 0.00 54.97 53.24 3i8f s GLU 163 Cb -0.23 -0.99 -0.08 0.00 -0.44 0.00 0.00 34.13 32.40 3i8f s GLU 163 CO 0.52 0.04 1.62 0.50 0.95 0.00 0.00 175.26 178.89 3i8f s ARG 164 N -3.74 4.21 -0.02 -4.83 3.52 -1.26 0.13 118.95 116.95 3i8f s ARG 164 Ca 0.27 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3i8f s ARG 164 Cb 0.03 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 3i8f s ARG 164 CO 0.09 -0.70 -0.00 0.08 -0.81 0.00 0.00 175.30 173.96 3i8f s VAL 165 N 2.49 0.15 -0.20 7.11 1.01 0.89 -4.88 120.40 126.97 3i8f s VAL 165 Ca 0.72 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 3i8f s VAL 165 Cb -0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 3i8f s VAL 165 CO 0.32 0.11 -0.06 -0.89 0.00 0.00 0.00 175.10 174.58 3i8f s THR 166 N 0.75 3.34 0.53 3.92 2.01 -1.26 -1.14 115.64 123.79 3i8f s THR 166 Ca -0.07 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.41 3i8f s THR 166 Cb -0.10 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.94 3i8f s THR 166 CO -0.01 0.45 0.76 0.54 -0.69 0.00 0.00 174.62 175.67 3i8f s VAL 167 N 1.16 3.08 0.17 3.82 0.11 -1.10 -4.93 120.40 122.71 3i8f s VAL 167 Ca 0.02 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 3i8f s VAL 167 Cb -0.14 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 3i8f s VAL 167 CO -0.01 -0.12 0.11 -0.04 -3.33 0.00 0.00 175.10 171.71 3i8f s MET 168 N -4.74 1.10 -1.21 1.54 -1.94 -1.26 -2.51 119.30 110.28 3i8f s MET 168 Ca 0.55 -1.53 -0.12 0.00 -1.71 0.00 0.00 55.69 52.87 3i8f s MET 168 Cb -0.10 0.27 0.12 0.00 2.01 0.00 0.00 34.83 37.12 3i8f s MET 168 CO 0.39 -0.35 0.30 -1.71 -0.01 0.00 0.00 175.02 173.64 3i8f n ASN 169 N -0.20 -0.72 -4.77 3.03 5.15 -1.13 -4.88 115.26 111.74 3i8f n ASN 169 Ca -0.01 -0.85 -0.39 0.00 -0.60 0.00 0.00 54.58 52.72 3i8f n ASN 169 Cb 0.65 -1.08 -0.06 0.00 -0.53 0.00 0.00 39.78 38.76 3i8f n ASN 169 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3i8f s LEU 170 N -5.42 4.60 0.10 1.20 2.96 0.56 -4.69 118.68 117.99 3i8f s LEU 170 Ca 0.41 1.72 -0.04 0.00 -0.22 0.00 0.00 54.13 56.01 3i8f s LEU 170 Cb -0.24 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 3i8f s LEU 170 CO 0.69 0.19 0.31 -1.83 -1.32 0.00 0.00 176.35 174.39 3i8f s GLU 171 N -1.19 3.57 -0.46 1.98 -1.05 -1.26 0.14 118.70 120.42 3i8f s GLU 171 Ca 0.37 -0.18 -0.22 0.00 -0.15 0.00 0.00 54.97 54.79 3i8f s GLU 171 Cb -0.24 -2.94 0.03 0.00 -0.44 0.00 0.00 34.13 30.54 3i8f s GLU 171 CO 0.28 0.54 0.77 0.08 0.95 0.00 0.00 175.26 177.87 3i8f s VAL 172 N -1.56 4.67 0.00 1.83 1.01 -0.06 -1.10 120.40 125.19 3i8f s VAL 172 Ca 0.37 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3i8f s VAL 172 Cb -0.13 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3i8f s VAL 172 CO 0.24 -0.75 0.70 0.52 0.00 0.00 0.00 175.10 175.80 3i8f n VAL 173 N 6.05 0.00 -4.33 2.92 0.31 0.21 -0.83 118.33 122.66 3i8f n VAL 173 Ca 0.01 1.17 -0.16 0.00 -0.01 0.00 0.00 64.34 65.35 3i8f n VAL 173 Cb 0.48 -2.12 -0.04 0.00 -0.91 0.00 0.00 33.84 31.25 3i8f n VAL 173 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i8f n ASP 174 N -1.58 1.59 -3.27 4.52 4.64 -1.23 -4.14 116.55 117.08 3i8f n ASP 174 Ca 0.00 -2.26 0.03 0.00 -1.38 0.00 0.00 54.79 51.18 3i8f n ASP 174 Cb 0.00 0.48 -0.02 0.00 -1.04 0.00 0.00 41.12 40.55 3i8f n ASP 174 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3i8f s VAL 175 N -2.32 -0.99 -1.07 5.18 0.11 -1.26 -2.15 120.40 117.90 3i8f s VAL 175 Ca 0.09 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 3i8f s VAL 175 Cb 0.00 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 34.04 3i8f s VAL 175 CO 0.06 0.00 1.21 -0.63 -3.33 0.00 0.00 175.10 172.41 3i8f s ILE 176 N 2.87 5.24 0.41 7.04 1.09 -1.17 -4.87 121.20 131.82 3i8f s ILE 176 Ca 0.14 -2.54 0.08 0.00 -1.10 0.00 0.00 60.65 57.23 3i8f s ILE 176 Cb -0.14 -4.76 0.26 0.00 -1.06 0.00 0.00 42.46 36.76 3i8f s ILE 176 CO -0.20 -1.43 2.06 1.55 -0.10 0.00 0.00 174.94 176.82 3i8f h PRO 177 N 7.53 0.50 -1.13 2.79 0.13 -1.94 0.52 132.00 140.40 3i8f h PRO 177 Ca 0.22 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 65.24 3i8f h PRO 177 Cb 0.93 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 3i8f h PRO 177 CO 1.10 0.34 0.11 -0.85 -0.23 0.00 0.00 178.00 178.47 3i8f n GLU 178 N -4.47 1.20 0.00 0.86 -0.00 -1.26 -2.59 120.64 114.38 3i8f n GLU 178 Ca 0.03 -0.47 0.00 0.00 -0.00 0.00 0.00 57.16 56.72 3i8f n GLU 178 Cb 0.07 -1.18 0.00 0.00 -0.00 0.00 0.00 31.44 30.32 3i8f n GLU 178 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3i8f n GLU 179 N 0.38 0.00 -1.67 3.44 4.07 -0.91 -5.01 120.64 120.95 3i8f n GLU 179 Ca 0.09 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.09 3i8f n GLU 179 Cb 0.66 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.01 3i8f n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3i8f n ASN 180 N 0.00 -3.88 -4.91 4.31 3.02 -0.18 -4.98 115.26 108.64 3i8f n ASN 180 Ca 0.00 0.14 -0.27 0.00 -0.03 0.00 0.00 54.58 54.43 3i8f n ASN 180 Cb 0.05 -2.63 0.02 0.00 -0.61 0.00 0.00 39.78 36.60 3i8f n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i8f s LEU 181 N -2.57 3.35 -0.20 3.41 2.01 -0.00 -2.20 118.68 122.48 3i8f s LEU 181 Ca 0.00 0.78 -0.10 0.00 0.01 0.00 0.00 54.13 54.82 3i8f s LEU 181 Cb 0.00 -3.66 0.07 0.00 0.01 0.00 0.00 46.19 42.62 3i8f s LEU 181 CO 0.00 -0.92 0.47 -0.22 1.01 0.00 0.00 176.35 176.69 3i8f s LEU 182 N -4.92 -0.38 -0.21 1.79 2.96 -1.26 -3.05 118.68 113.60 3i8f s LEU 182 Ca 0.52 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 55.44 3i8f s LEU 182 Cb -0.10 1.56 -0.01 0.00 0.50 0.00 0.00 46.19 48.14 3i8f s LEU 182 CO 0.45 -0.21 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.47 3i8f s LEU 183 N 1.72 2.90 0.42 -0.68 1.02 -0.91 -0.19 118.68 122.95 3i8f s LEU 183 Ca -0.08 -0.38 0.07 0.00 0.02 0.00 0.00 54.13 53.76 3i8f s LEU 183 Cb -0.09 -1.74 -0.07 0.00 0.02 0.00 0.00 46.19 44.32 3i8f s LEU 183 CO -0.14 -0.00 0.08 0.68 0.02 0.00 0.00 176.35 176.98 3i8f s VAL 184 N 1.38 2.08 -1.02 -1.59 -7.23 -0.79 0.63 120.40 113.86 3i8f s VAL 184 Ca 0.05 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.10 3i8f s VAL 184 Cb -0.14 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 3i8f s VAL 184 CO -0.03 0.00 1.90 -0.54 -0.31 0.00 0.00 175.10 176.13 3i8f s LYS 185 N -3.80 2.65 0.00 4.82 -0.14 -0.26 -2.61 119.74 120.40 3i8f s LYS 185 Ca 0.36 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 3i8f s LYS 185 Cb 0.07 -5.16 0.00 0.00 -1.68 0.00 0.00 37.83 31.06 3i8f s LYS 185 CO 0.19 -3.47 0.00 0.41 -0.76 0.00 0.00 175.35 171.73 3i8f n GLY 186 N 6.46 1.67 0.00 -3.33 0.00 -1.26 -4.78 105.19 103.95 3i8f n GLY 186 Ca 0.42 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3i8f n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8f n ALA 187 N 7.56 0.00 -3.69 4.61 0.00 -1.26 -4.63 120.51 123.10 3i8f n ALA 187 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3i8f n ALA 187 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3i8f n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8f s VAL 188 N 0.00 -0.23 1.07 0.00 0.11 -1.26 -4.96 120.40 115.12 3i8f s VAL 188 Ca 0.00 0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 59.17 3i8f s VAL 188 Cb 0.00 -0.32 0.12 0.00 -1.53 0.00 0.00 36.38 34.65 3i8f s VAL 188 CO 0.00 0.12 0.04 -0.81 -3.33 0.00 0.00 175.10 171.12 3i8f n PRO 189 N 5.02 -1.86 -1.19 1.54 -0.04 -1.26 -4.91 135.00 132.29 3i8f n PRO 189 Ca -0.11 -0.54 0.13 0.00 -0.04 0.00 0.00 63.50 62.94 3i8f n PRO 189 Cb 0.50 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 3i8f n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8f n GLY 190 N 2.34 -3.33 3.89 0.55 0.00 -1.09 -4.79 105.19 102.76 3i8f n GLY 190 Ca 0.03 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 3i8f n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i8f s PRO 191 N -4.20 0.31 -0.09 1.61 0.04 -1.26 -4.83 135.00 126.58 3i8f s PRO 191 Ca 0.00 -0.41 -0.30 0.00 0.04 0.00 0.00 61.00 60.33 3i8f s PRO 191 Cb 0.00 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 3i8f s PRO 191 CO 0.00 -2.63 1.08 -0.80 0.04 0.00 0.00 177.00 174.68 3i8f s ASN 192 N -4.80 7.17 0.00 6.66 0.02 -1.26 -3.09 114.94 119.64 3i8f s ASN 192 Ca 0.75 1.64 0.00 0.00 -1.02 0.00 0.00 52.86 54.22 3i8f s ASN 192 Cb -0.04 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.67 3i8f s ASN 192 CO 0.54 -0.50 0.00 0.61 0.02 0.00 0.00 177.10 177.77 3i8f n GLY 193 N 3.19 0.78 3.92 0.66 0.00 -1.26 -4.82 105.19 107.66 3i8f n GLY 193 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 3i8f n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8f s GLY 194 N -1.42 1.63 0.06 -0.02 0.00 -1.18 -4.71 107.32 101.69 3i8f s GLY 194 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 44.72 43.72 3i8f s GLY 194 CO 0.00 -0.49 0.62 -2.27 0.00 0.00 0.00 173.10 170.96 3i8f s LEU 195 N -5.02 4.50 0.02 0.66 2.96 -1.26 -2.50 118.68 118.03 3i8f s LEU 195 Ca 0.55 1.29 -0.06 0.00 -0.22 0.00 0.00 54.13 55.69 3i8f s LEU 195 Cb -0.11 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 3i8f s LEU 195 CO 0.44 0.20 0.11 0.68 -1.32 0.00 0.00 176.35 176.46 3i8f s VAL 196 N -0.76 0.11 -0.18 1.68 -7.23 -0.69 -4.10 120.40 109.23 3i8f s VAL 196 Ca 0.31 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 3i8f s VAL 196 Cb -0.20 -0.66 0.03 0.00 0.56 0.00 0.00 36.38 36.11 3i8f s VAL 196 CO 0.20 -0.50 -0.16 0.27 -0.31 0.00 0.00 175.10 174.60 3i8f s ILE 197 N -2.03 1.84 -0.40 -0.62 -5.25 -0.92 -1.46 121.20 112.37 3i8f s ILE 197 Ca -0.10 -0.90 -0.22 0.00 -0.99 0.00 0.00 60.65 58.45 3i8f s ILE 197 Cb -0.04 -1.74 0.01 0.00 2.95 0.00 0.00 42.46 43.64 3i8f s ILE 197 CO -0.02 0.42 0.70 -0.69 -1.79 0.00 0.00 174.94 173.56 3i8f s VAL 198 N 1.36 4.79 0.08 8.37 1.01 -1.01 -1.99 120.40 133.01 3i8f s VAL 198 Ca 0.03 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3i8f s VAL 198 Cb -0.14 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.06 3i8f s VAL 198 CO -0.11 -0.51 0.06 -1.14 0.00 0.00 0.00 175.10 173.41 3i8f n ARG 199 N 6.33 1.36 0.00 2.72 0.63 -0.15 -4.02 116.66 123.52 3i8f n ARG 199 Ca 0.00 -0.50 0.00 0.00 -0.92 0.00 0.00 57.85 56.43 3i8f n ARG 199 Cb 0.48 0.05 0.00 0.00 0.45 0.00 0.00 32.46 33.44 3i8f n ARG 199 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3i8f n GLU 200 N -0.72 0.98 -2.95 -0.14 0.00 -1.23 -2.41 120.64 114.18 3i8f n GLU 200 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.14 3i8f n GLU 200 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.54 3i8f n GLU 200 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3i8f n THR 201 N 0.00 0.00 -3.57 3.84 -1.04 -1.26 0.19 114.28 112.44 3i8f n THR 201 Ca 0.00 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 61.42 3i8f n THR 201 Cb 0.00 0.46 -0.15 0.00 -1.82 0.00 0.00 70.33 68.81 3i8f n THR 201 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i8f s LYS 202 N -2.03 0.21 -0.01 -2.82 3.01 -1.26 -4.85 119.74 111.99 3i8f s LYS 202 Ca 0.15 -0.49 0.02 0.00 -1.01 0.00 0.00 55.97 54.63 3i8f s LYS 202 Cb -0.02 -1.33 0.03 0.00 -1.01 0.00 0.00 37.83 35.50 3i8f s LYS 202 CO 0.03 -0.96 0.81 0.36 0.51 0.00 0.00 175.35 176.11 3i8f n LYS 203 N 5.23 0.36 0.00 1.68 -0.00 -1.26 -4.88 118.16 119.28 3i8f n LYS 203 Ca -0.06 -0.98 0.00 0.00 -0.00 0.00 0.00 58.31 57.27 3i8f n LYS 203 Cb 0.43 -0.63 0.00 0.00 -0.00 0.00 0.00 35.03 34.83 3i8f n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8f n ALA 204 N -0.17 0.00 -1.82 0.58 0.00 -1.26 -5.27 120.51 112.58 3i8f n ALA 204 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i8f n ALA 204 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i8f n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50