#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uay s GLU 2 N 0.00 4.35 0.23 3.17 -1.05 -1.26 -5.04 118.70 119.10 1uay s GLU 2 Ca 0.00 2.08 0.08 0.00 -0.15 0.00 0.00 54.97 56.98 1uay s GLU 2 Cb 0.00 -3.02 -0.05 0.00 -0.44 0.00 0.00 34.13 30.62 1uay s GLU 2 CO 0.00 -0.15 -0.14 1.03 0.95 0.00 0.00 175.26 176.95 1uay s ARG 3 N -1.82 1.45 0.34 -4.83 1.81 -1.26 -4.44 118.95 110.20 1uay s ARG 3 Ca 0.50 -1.66 0.07 0.00 -1.72 0.00 0.00 55.73 52.91 1uay s ARG 3 Cb -0.37 -1.27 -0.01 0.00 -0.45 0.00 0.00 34.95 32.85 1uay s ARG 3 CO 0.48 0.19 0.46 -1.54 -0.68 0.00 0.00 175.30 174.21 1uay s SER 4 N -3.38 5.85 0.02 0.23 1.04 -0.07 -1.25 113.70 116.14 1uay s SER 4 Ca 0.25 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1uay s SER 4 Cb -0.01 -1.13 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 1uay s SER 4 CO 0.09 -0.46 -0.04 0.00 0.98 0.00 0.00 173.24 173.82 1uay s ALA 5 N -2.21 0.18 -0.13 5.32 0.00 -0.21 -1.55 121.76 123.16 1uay s ALA 5 Ca 0.46 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1uay s ALA 5 Cb -0.09 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1uay s ALA 5 CO 0.31 -0.12 -0.17 -1.17 0.00 0.00 0.00 175.76 174.61 1uay s LEU 6 N -1.33 1.84 -0.19 0.00 2.96 0.07 -0.73 118.68 121.30 1uay s LEU 6 Ca -0.13 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1uay s LEU 6 Cb -0.09 -1.24 0.04 0.00 0.50 0.00 0.00 46.19 45.40 1uay s LEU 6 CO -0.01 0.01 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.22 1uay s VAL 7 N 1.12 1.69 0.24 1.68 1.01 -0.23 -0.49 120.40 125.43 1uay s VAL 7 Ca -0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 1uay s VAL 7 Cb -0.14 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 1uay s VAL 7 CO -0.05 0.26 0.62 0.42 0.00 0.00 0.00 175.10 176.35 1uay s THR 8 N 1.39 4.80 -0.40 3.92 -4.23 0.02 -1.52 115.64 119.62 1uay s THR 8 Ca 0.00 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1uay s THR 8 Cb -0.15 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1uay s THR 8 CO -0.09 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1uay n GLY 9 N 0.09 0.67 0.00 3.99 0.00 0.31 -1.94 105.19 108.32 1uay n GLY 9 Ca -0.00 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.46 1uay n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uay n GLY 10 N -2.32 -0.64 0.18 -0.02 0.00 -1.25 -3.26 105.19 97.88 1uay n GLY 10 Ca -0.04 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1uay n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uay h ALA 11 N 3.21 1.00 -2.96 4.61 0.00 -1.89 -3.26 119.26 119.97 1uay h ALA 11 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uay h ALA 11 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1uay h ALA 11 CO 0.00 0.00 0.15 -1.54 0.00 0.00 0.00 179.25 177.86 1uay s SER 12 N -5.39 -0.12 0.56 0.00 1.04 -1.20 -4.88 113.70 103.71 1uay s SER 12 Ca 0.07 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1uay s SER 12 Cb 0.08 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1uay s SER 12 CO 0.60 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1uay n GLY 13 N -0.46 2.74 0.14 7.32 0.00 -1.26 -1.97 105.19 111.69 1uay n GLY 13 Ca -0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1uay n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uay h LEU 14 N 0.00 0.17 -0.72 0.99 3.38 -1.90 -1.77 115.31 115.45 1uay h LEU 14 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1uay h LEU 14 Cb 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1uay h LEU 14 CO 0.00 0.13 0.48 1.23 0.09 0.00 0.00 178.44 180.37 1uay h GLY 15 N 0.28 1.02 1.00 0.83 0.00 -1.65 -0.98 103.07 103.56 1uay h GLY 15 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1uay h GLY 15 CO -0.12 0.37 0.22 -0.09 0.00 0.00 0.00 176.54 176.92 1uay h ARG 16 N 0.98 0.44 -0.68 4.80 2.43 -1.09 -0.01 114.38 121.25 1uay h ARG 16 Ca 0.26 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1uay h ARG 16 Cb -0.11 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1uay h ARG 16 CO -0.06 0.29 0.45 0.00 -1.51 0.00 0.00 179.97 179.14 1uay h ALA 17 N 1.12 0.86 -0.44 2.80 0.00 -0.90 -0.68 119.26 122.02 1uay h ALA 17 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1uay h ALA 17 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1uay h ALA 17 CO -0.03 0.29 0.14 0.00 0.00 0.00 0.00 179.25 179.65 1uay h ALA 18 N 1.25 0.58 -0.34 0.00 0.00 -0.82 -1.34 119.26 118.59 1uay h ALA 18 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1uay h ALA 18 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1uay h ALA 18 CO -0.05 0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.65 1uay h ALA 19 N 0.99 0.44 -0.72 0.00 0.00 -0.62 -0.56 119.26 118.78 1uay h ALA 19 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1uay h ALA 19 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1uay h ALA 19 CO -0.00 -0.09 0.22 -0.07 0.00 0.00 0.00 179.25 179.31 1uay h LEU 20 N 0.46 1.05 -0.51 0.00 3.38 -1.02 -1.32 115.31 117.35 1uay h LEU 20 Ca 0.13 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1uay h LEU 20 Cb -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1uay h LEU 20 CO -0.03 0.97 -0.06 0.00 0.09 0.00 0.00 178.44 179.42 1uay h ALA 21 N 1.16 0.69 -0.62 1.53 0.00 -0.94 -1.78 119.26 119.30 1uay h ALA 21 Ca 0.23 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1uay h ALA 21 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1uay h ALA 21 CO -0.01 0.56 0.07 -0.07 0.00 0.00 0.00 179.25 179.81 1uay h LEU 22 N 0.80 1.00 -0.43 0.00 3.38 -0.92 -1.36 115.31 117.79 1uay h LEU 22 Ca 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1uay h LEU 22 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1uay h LEU 22 CO 0.04 1.01 0.22 0.50 0.09 0.00 0.00 178.44 180.30 1uay h LYS 23 N 0.97 0.60 0.00 1.13 1.63 -1.04 -1.49 116.57 118.36 1uay h LYS 23 Ca 0.19 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1uay h LYS 23 Cb 0.46 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1uay h LYS 23 CO 0.02 0.50 -0.14 0.00 -3.45 0.00 0.00 179.45 176.38 1uay h ALA 24 N 1.07 1.36 0.00 5.00 0.00 -1.05 -1.30 119.26 124.34 1uay h ALA 24 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uay h ALA 24 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uay h ALA 24 CO -0.02 0.17 0.00 -2.13 0.00 0.00 0.00 179.25 177.27 1uay n ARG 25 N -3.77 0.08 0.00 0.00 3.00 -0.54 -4.90 116.66 110.53 1uay n ARG 25 Ca -0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1uay n ARG 25 Cb 0.24 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.10 1uay n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uay n GLY 26 N 1.21 0.82 3.82 5.14 0.00 -0.49 -5.08 105.19 110.61 1uay n GLY 26 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1uay n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uay s TYR 27 N -2.00 3.29 -0.60 1.61 1.51 -0.65 -4.63 117.35 115.88 1uay s TYR 27 Ca 0.00 1.61 -0.21 0.00 -1.01 0.00 0.00 57.07 57.46 1uay s TYR 27 Cb 0.00 -2.87 0.07 0.00 -0.11 0.00 0.00 41.96 39.06 1uay s TYR 27 CO 0.00 -0.15 0.83 1.03 -1.11 0.00 0.00 175.55 176.15 1uay s ARG 28 N -3.17 3.13 -0.11 -0.62 1.81 -0.38 -4.36 118.95 115.25 1uay s ARG 28 Ca 0.62 -0.87 -0.16 0.00 -1.72 0.00 0.00 55.73 53.60 1uay s ARG 28 Cb -0.10 -4.19 -0.05 0.00 -0.45 0.00 0.00 34.95 30.17 1uay s ARG 28 CO 0.14 -1.58 0.39 0.08 -0.68 0.00 0.00 175.30 173.64 1uay s VAL 29 N 3.44 5.21 -0.10 3.52 1.01 -1.26 -1.04 120.40 131.18 1uay s VAL 29 Ca 0.19 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.97 1uay s VAL 29 Cb -0.18 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1uay s VAL 29 CO 0.11 0.40 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 1uay s VAL 30 N 0.20 2.30 -0.11 2.92 1.01 0.09 -2.02 120.40 124.79 1uay s VAL 30 Ca 0.22 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1uay s VAL 30 Cb -0.14 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1uay s VAL 30 CO 0.08 0.56 -0.01 -0.69 0.00 0.00 0.00 175.10 175.04 1uay s VAL 31 N 0.21 4.16 -0.20 2.92 1.01 0.16 -1.07 120.40 127.60 1uay s VAL 31 Ca -0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1uay s VAL 31 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1uay s VAL 31 CO 0.07 0.57 -0.14 -0.22 0.00 0.00 0.00 175.10 175.37 1uay s LEU 32 N -0.46 2.46 0.14 3.92 2.96 -0.58 -0.20 118.68 126.92 1uay s LEU 32 Ca 0.08 -0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 53.17 1uay s LEU 32 Cb -0.12 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.06 1uay s LEU 32 CO 0.02 -0.02 0.52 -0.62 -1.32 0.00 0.00 176.35 174.93 1uay s ASP 33 N 1.34 -0.43 0.54 3.68 -1.08 -1.06 -0.53 116.67 119.13 1uay s ASP 33 Ca 0.04 -0.12 0.24 0.00 -0.52 0.00 0.00 52.55 52.19 1uay s ASP 33 Cb -0.14 0.54 1.42 0.00 -1.46 0.00 0.00 42.92 43.28 1uay s ASP 33 CO -0.10 -0.91 2.05 -0.07 0.52 0.00 0.00 175.17 176.67 1uay h LEU 34 N 2.18 0.00 -8.46 -1.34 3.38 -1.82 -0.40 115.31 108.84 1uay h LEU 34 Ca -0.34 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.37 1uay h LEU 34 Cb 1.28 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.88 1uay h LEU 34 CO 0.42 0.00 -0.71 0.00 0.09 0.00 0.00 178.44 178.24 1uay s ARG 35 N -4.95 0.86 0.63 1.13 1.70 -1.26 -4.36 118.95 112.70 1uay s ARG 35 Ca -0.05 -1.29 -0.01 0.00 -0.47 0.00 0.00 55.73 53.91 1uay s ARG 35 Cb 0.18 -0.34 0.07 0.00 -0.57 0.00 0.00 34.95 34.29 1uay s ARG 35 CO 0.68 0.02 0.89 -0.98 -1.08 0.00 0.00 175.30 174.82 1uay s ARG 36 N -3.49 2.20 0.02 3.89 1.70 -1.26 -4.67 118.95 117.32 1uay s ARG 36 Ca 0.10 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1uay s ARG 36 Cb 0.02 -2.38 -0.00 0.00 -0.57 0.00 0.00 34.95 32.02 1uay s ARG 36 CO -0.03 -1.05 0.01 0.39 -1.08 0.00 0.00 175.30 173.55 1uay n GLU 37 N -2.61 0.02 -0.56 3.89 -0.58 -1.26 -5.01 120.64 114.53 1uay n GLU 37 Ca 0.10 -0.15 0.08 0.00 -0.42 0.00 0.00 57.16 56.77 1uay n GLU 37 Cb 0.60 0.13 0.31 0.00 -0.57 0.00 0.00 31.44 31.90 1uay n GLU 37 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uay n GLY 38 N -0.03 3.32 3.89 0.62 0.00 -1.26 -5.00 105.19 106.73 1uay n GLY 38 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1uay n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uay s GLU 39 N -2.35 2.37 -1.42 1.61 0.41 -1.26 -4.92 118.70 113.13 1uay s GLU 39 Ca 0.45 0.24 -0.14 0.00 -0.41 0.00 0.00 54.97 55.11 1uay s GLU 39 Cb 0.33 -2.00 0.06 0.00 -1.78 0.00 0.00 34.13 30.75 1uay s GLU 39 CO 0.15 -1.33 2.14 -3.47 -0.49 0.00 0.00 175.26 172.27 1uay n ASP 40 N -3.16 4.12 -4.12 -0.19 2.03 -1.26 -4.83 116.55 109.14 1uay n ASP 40 Ca 0.07 -2.89 -0.10 0.00 0.52 0.00 0.00 54.79 52.40 1uay n ASP 40 Cb 0.59 -1.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 1uay n ASP 40 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1uay s LEU 41 N 1.97 1.69 -0.20 -2.67 1.43 -1.26 -5.01 118.68 114.63 1uay s LEU 41 Ca 0.46 -1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.25 1uay s LEU 41 Cb 0.13 0.40 -0.04 0.00 0.03 0.00 0.00 46.19 46.71 1uay s LEU 41 CO -0.07 -0.74 0.38 -0.63 0.23 0.00 0.00 176.35 175.52 1uay s ILE 42 N -4.04 5.22 -0.11 -0.59 1.01 -0.86 -4.99 121.20 116.84 1uay s ILE 42 Ca 0.23 0.67 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 1uay s ILE 42 Cb 0.07 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1uay s ILE 42 CO 0.01 0.27 -0.08 -0.31 0.00 0.00 0.00 174.94 174.83 1uay s TYR 43 N 1.21 2.92 -0.17 3.97 2.02 -1.26 0.40 117.35 126.44 1uay s TYR 43 Ca 0.18 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1uay s TYR 43 Cb -0.15 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 1uay s TYR 43 CO 0.08 0.05 -0.19 0.08 -1.57 0.00 0.00 175.55 174.00 1uay s VAL 44 N -0.09 1.96 -0.13 0.71 1.01 0.72 -4.93 120.40 119.64 1uay s VAL 44 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1uay s VAL 44 Cb -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1uay s VAL 44 CO 0.03 0.52 0.75 -1.61 0.00 0.00 0.00 175.10 174.80 1uay s GLU 45 N 1.30 4.34 0.00 2.72 2.02 -1.26 -2.55 118.70 125.27 1uay s GLU 45 Ca 0.04 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.94 1uay s GLU 45 Cb -0.13 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.57 1uay s GLU 45 CO -0.12 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1uay n GLY 46 N 3.39 -1.19 3.28 -1.39 0.00 -0.16 -4.93 105.19 104.18 1uay n GLY 46 Ca 0.01 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1uay n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uay s ASP 47 N -1.69 3.73 0.46 1.61 -1.08 -1.26 -2.66 116.67 115.78 1uay s ASP 47 Ca 0.00 -0.45 0.31 0.00 -0.52 0.00 0.00 52.55 51.89 1uay s ASP 47 Cb 0.00 -1.58 1.61 0.00 -1.46 0.00 0.00 42.92 41.49 1uay s ASP 47 CO 0.00 0.08 1.95 -0.37 0.52 0.00 0.00 175.17 177.35 1uay h VAL 48 N 5.65 0.00 -0.00 1.11 -1.51 -1.94 -0.83 116.25 118.72 1uay h VAL 48 Ca -0.33 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1uay h VAL 48 Cb 1.19 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1uay h VAL 48 CO 0.57 0.00 -0.18 0.35 -1.23 0.00 0.00 177.57 177.08 1uay n THR 49 N -2.63 0.00 -3.69 7.19 -2.24 -1.26 -4.53 114.28 107.13 1uay n THR 49 Ca -0.01 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 1uay n THR 49 Cb 0.10 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 1uay n THR 49 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uay s ARG 50 N -2.55 3.47 0.22 -0.78 1.81 -0.32 -4.98 118.95 115.82 1uay s ARG 50 Ca 0.25 -0.62 -0.09 0.00 -1.72 0.00 0.00 55.73 53.55 1uay s ARG 50 Cb 0.20 -3.49 0.32 0.00 -0.45 0.00 0.00 34.95 31.53 1uay s ARG 50 CO 0.51 -0.33 1.69 1.49 -0.68 0.00 0.00 175.30 177.98 1uay h GLU 51 N 8.31 0.23 -0.82 3.54 4.81 -1.86 -1.79 114.58 127.00 1uay h GLU 51 Ca -0.34 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 1uay h GLU 51 Cb 1.16 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 1uay h GLU 51 CO 0.60 0.15 0.50 1.49 -0.73 0.00 0.00 179.01 181.02 1uay h GLU 52 N 0.23 0.88 -0.27 1.92 4.81 -1.94 -0.40 114.58 119.81 1uay h GLU 52 Ca 0.33 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1uay h GLU 52 Cb 0.52 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1uay h GLU 52 CO -0.44 0.58 -0.39 -0.44 -0.73 0.00 0.00 179.01 177.58 1uay h ASP 53 N 0.90 0.82 -0.53 1.04 3.45 -1.62 -1.96 116.42 118.53 1uay h ASP 53 Ca 0.36 -0.51 -0.09 0.00 0.43 0.00 0.00 57.03 57.22 1uay h ASP 53 Cb 0.20 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1uay h ASP 53 CO -0.18 1.17 -0.02 0.58 -1.57 0.00 0.00 179.24 179.21 1uay h VAL 54 N 0.49 1.27 -0.65 -1.35 2.07 -1.13 -1.69 116.25 115.26 1uay h VAL 54 Ca 0.03 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1uay h VAL 54 Cb 0.99 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1uay h VAL 54 CO 0.09 0.40 0.25 0.03 0.02 0.00 0.00 177.57 178.37 1uay h ARG 55 N 0.82 0.95 -0.59 1.57 3.08 -1.06 0.03 114.38 119.19 1uay h ARG 55 Ca 0.15 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1uay h ARG 55 Cb 0.56 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1uay h ARG 55 CO 0.03 0.78 0.22 -0.09 -1.07 0.00 0.00 179.97 179.84 1uay h ARG 56 N 0.93 0.89 -0.42 0.04 2.43 -1.03 -0.63 114.38 116.60 1uay h ARG 56 Ca 0.22 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1uay h ARG 56 Cb 0.19 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1uay h ARG 56 CO -0.02 0.77 -0.27 0.00 -1.51 0.00 0.00 179.97 178.94 1uay h ALA 57 N 1.07 0.59 -0.43 2.80 0.00 -0.80 -1.04 119.26 121.45 1uay h ALA 57 Ca 0.19 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1uay h ALA 57 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1uay h ALA 57 CO -0.01 0.62 0.17 0.28 0.00 0.00 0.00 179.25 180.30 1uay h VAL 58 N 0.74 1.20 -0.78 0.00 2.07 -0.84 -1.83 116.25 116.81 1uay h VAL 58 Ca 0.08 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1uay h VAL 58 Cb 0.85 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1uay h VAL 58 CO 0.07 0.23 0.32 0.00 0.02 0.00 0.00 177.57 178.21 1uay h ALA 59 N 1.02 1.08 -0.47 1.67 0.00 -1.02 -1.70 119.26 119.83 1uay h ALA 59 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1uay h ALA 59 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1uay h ALA 59 CO -0.01 0.66 0.10 -0.09 0.00 0.00 0.00 179.25 179.91 1uay h ARG 60 N 1.14 0.72 -0.19 0.00 9.65 -0.90 -1.70 114.38 123.09 1uay h ARG 60 Ca 0.26 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1uay h ARG 60 Cb 0.21 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1uay h ARG 60 CO -0.02 0.66 -0.11 0.00 2.80 0.00 0.00 179.97 183.30 1uay h ALA 61 N 1.42 0.27 0.00 2.80 0.00 -0.85 -2.86 119.26 120.04 1uay h ALA 61 Ca 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1uay h ALA 61 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uay h ALA 61 CO -0.00 0.12 -0.01 1.96 0.00 0.00 0.00 179.25 181.32 1uay h GLN 62 N 0.10 0.00 -0.17 0.00 4.20 -1.05 -0.76 115.11 117.43 1uay h GLN 62 Ca 0.04 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1uay h GLN 62 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1uay h GLN 62 CO 0.03 0.01 -0.27 1.49 -0.67 0.00 0.00 178.83 179.43 1uay h GLU 63 N 0.00 0.31 0.00 1.46 4.81 -1.08 -3.22 114.58 116.87 1uay h GLU 63 Ca -0.00 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1uay h GLU 63 Cb 0.21 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1uay h GLU 63 CO 0.00 0.56 -0.07 0.93 -0.73 0.00 0.00 179.01 179.70 1uay h GLU 64 N 0.28 0.00 -1.93 1.92 4.39 -1.17 -3.50 114.58 114.56 1uay h GLU 64 Ca 0.04 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.98 1uay h GLU 64 Cb 0.62 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.16 1uay h GLU 64 CO 0.04 0.95 0.64 0.00 -1.16 0.00 0.00 179.01 179.48 1uay s ALA 65 N -2.25 -1.92 0.18 3.43 0.00 -0.97 -4.96 121.76 115.27 1uay s ALA 65 Ca -0.19 0.51 -0.33 0.00 0.00 0.00 0.00 51.96 51.95 1uay s ALA 65 Cb -0.02 0.47 -0.13 0.00 0.00 0.00 0.00 23.12 23.43 1uay s ALA 65 CO 0.65 -0.99 1.60 -2.30 0.00 0.00 0.00 175.76 174.71 1uay n PRO 66 N -0.44 2.30 -2.18 0.00 -0.02 -1.26 -3.86 135.00 129.55 1uay n PRO 66 Ca -0.07 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 1uay n PRO 66 Cb 0.61 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1uay n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1uay s LEU 67 N 0.85 4.38 0.00 2.45 2.96 -1.26 -0.89 118.68 127.18 1uay s LEU 67 Ca 0.77 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 57.04 1uay s LEU 67 Cb -0.63 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.46 1uay s LEU 67 CO 0.38 -0.62 0.00 0.33 -1.32 0.00 0.00 176.35 175.12 1uay n PHE 68 N 3.52 0.00 -4.22 5.38 7.35 -0.60 -4.80 117.46 124.09 1uay n PHE 68 Ca 0.10 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.45 1uay n PHE 68 Cb 0.42 0.18 -0.11 0.00 0.35 0.00 0.00 39.48 40.32 1uay n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1uay s ALA 69 N -1.93 3.21 -0.08 3.13 0.00 -1.18 -0.46 121.76 124.46 1uay s ALA 69 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1uay s ALA 69 Cb 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.43 1uay s ALA 69 CO 0.00 0.24 -0.11 0.08 0.00 0.00 0.00 175.76 175.96 1uay s VAL 70 N 0.24 1.13 -0.17 0.00 1.01 -0.52 -0.75 120.40 121.34 1uay s VAL 70 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1uay s VAL 70 Cb -0.13 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.24 1uay s VAL 70 CO 0.02 0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 174.72 1uay s VAL 71 N 0.87 1.25 -0.52 2.92 1.01 0.36 -0.31 120.40 125.98 1uay s VAL 71 Ca -0.11 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1uay s VAL 71 Cb -0.15 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1uay s VAL 71 CO 0.01 0.14 0.70 -0.44 0.00 0.00 0.00 175.10 175.51 1uay s SER 72 N 1.57 6.25 0.00 3.32 0.01 -0.09 -0.80 113.70 123.97 1uay s SER 72 Ca 0.00 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1uay s SER 72 Cb -0.16 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1uay s SER 72 CO -0.08 -0.97 0.79 0.00 0.41 0.00 0.00 173.24 173.40 1uay n ALA 73 N 6.46 1.73 -1.96 1.44 0.00 -0.82 -2.34 120.51 125.02 1uay n ALA 73 Ca -0.05 -0.79 -0.41 0.00 0.00 0.00 0.00 53.44 52.20 1uay n ALA 73 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1uay n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uay s ALA 74 N -0.62 3.31 -0.09 0.00 0.00 -1.07 -4.57 121.76 118.73 1uay s ALA 74 Ca 0.00 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.28 1uay s ALA 74 Cb 0.00 -3.26 0.13 0.00 0.00 0.00 0.00 23.12 19.99 1uay s ALA 74 CO 0.00 0.05 1.29 0.20 0.00 0.00 0.00 175.76 177.30 1uay s GLY 75 N -0.63 -0.38 0.11 0.00 0.00 -1.26 -4.73 107.32 100.43 1uay s GLY 75 Ca 0.44 1.04 0.05 0.00 0.00 0.00 0.00 44.72 46.26 1uay s GLY 75 CO 0.32 0.27 -0.12 -1.34 0.00 0.00 0.00 173.10 172.23 1uay s VAL 76 N -2.35 1.15 0.44 1.40 -7.23 -1.26 -5.04 120.40 107.51 1uay s VAL 76 Ca 0.13 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1uay s VAL 76 Cb 0.03 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1uay s VAL 76 CO -0.04 -0.48 0.25 -0.83 -0.31 0.00 0.00 175.10 173.69 1uay s GLY 77 N -2.44 2.34 -0.28 2.32 0.00 -1.26 -4.92 107.32 103.09 1uay s GLY 77 Ca 0.07 -1.82 -0.20 0.00 0.00 0.00 0.00 44.72 42.77 1uay s GLY 77 CO 0.02 -1.89 0.91 -2.27 0.00 0.00 0.00 173.10 169.86 1uay s LEU 78 N -4.02 -0.60 -0.28 0.66 2.96 -1.26 -5.05 118.68 111.09 1uay s LEU 78 Ca 0.39 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 1uay s LEU 78 Cb 0.01 2.01 0.07 0.00 0.50 0.00 0.00 46.19 48.79 1uay s LEU 78 CO 0.22 -0.17 -0.04 0.00 -1.32 0.00 0.00 176.35 175.04 1uay s ALA 79 N 0.88 2.46 -0.21 5.97 0.00 -1.26 -4.67 121.76 124.92 1uay s ALA 79 Ca -0.04 -1.88 -0.10 0.00 0.00 0.00 0.00 51.96 49.94 1uay s ALA 79 Cb -0.05 -1.66 0.08 0.00 0.00 0.00 0.00 23.12 21.49 1uay s ALA 79 CO -0.11 -1.37 0.50 -2.00 0.00 0.00 0.00 175.76 172.78 1uay s GLU 80 N 1.14 0.46 0.55 0.00 2.12 0.07 -5.04 118.70 118.01 1uay s GLU 80 Ca -0.01 1.02 -0.18 0.00 0.36 0.00 0.00 54.97 56.16 1uay s GLU 80 Cb -0.19 0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 1uay s GLU 80 CO -0.07 -0.19 1.07 0.15 -0.54 0.00 0.00 175.26 175.68 1uay s LYS 81 N 1.96 3.45 0.21 4.30 1.02 -1.26 -4.41 119.74 125.00 1uay s LYS 81 Ca -0.07 1.34 -0.08 0.00 0.02 0.00 0.00 55.97 57.18 1uay s LYS 81 Cb -0.09 -2.04 0.14 0.00 -0.52 0.00 0.00 37.83 35.32 1uay s LYS 81 CO -0.15 -0.72 1.74 0.82 -0.92 0.00 0.00 175.35 176.12 1uay h ILE 82 N 0.92 1.26 -3.73 2.17 1.08 -1.96 -3.31 117.51 113.95 1uay h ILE 82 Ca -0.48 -0.93 -0.68 0.00 -0.39 0.00 0.00 64.86 62.38 1uay h ILE 82 Cb 1.23 0.46 -0.34 0.00 -3.07 0.00 0.00 36.82 35.09 1uay h ILE 82 CO 0.58 0.36 -0.69 -0.76 -0.69 0.00 0.00 178.15 176.95 1uay s LEU 83 N -9.59 4.14 0.00 1.44 1.43 -1.26 -0.26 118.68 114.58 1uay s LEU 83 Ca -0.12 -1.47 -0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1uay s LEU 83 Cb 0.15 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1uay s LEU 83 CO 0.85 -0.31 0.08 0.61 0.23 0.00 0.00 176.35 177.81 1uay n GLY 84 N 4.57 0.19 0.12 -3.19 0.00 0.51 -4.97 105.19 102.43 1uay n GLY 84 Ca -0.10 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 1uay n GLY 84 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1uay h LYS 85 N 0.00 0.22 0.00 1.61 1.63 -1.98 -3.34 116.57 114.70 1uay h LYS 85 Ca -0.03 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1uay h LYS 85 Cb 0.09 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1uay h LYS 85 CO 0.03 1.00 -0.81 0.39 -3.45 0.00 0.00 179.45 176.61 1uay n GLU 86 N -3.64 2.23 -3.31 1.90 4.71 -1.26 -5.09 120.64 116.18 1uay n GLU 86 Ca -0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1uay n GLU 86 Cb 0.84 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 30.11 1uay n GLU 86 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uay n GLY 87 N 1.39 -1.48 3.79 0.62 0.00 -1.26 -5.16 105.19 103.09 1uay n GLY 87 Ca 0.02 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1uay n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uay s PRO 88 N -1.34 1.99 0.19 1.61 0.04 -1.26 -0.36 135.00 135.87 1uay s PRO 88 Ca 0.00 0.69 -0.32 0.00 0.04 0.00 0.00 61.00 61.42 1uay s PRO 88 Cb 0.00 -1.90 -0.16 0.00 0.04 0.00 0.00 34.50 32.48 1uay s PRO 88 CO 0.00 -1.70 1.08 1.58 0.04 0.00 0.00 177.00 178.00 1uay n HIS 89 N -3.49 1.12 -2.04 0.56 -0.00 0.64 -4.73 115.22 107.29 1uay n HIS 89 Ca 0.07 0.72 -0.36 0.00 -0.00 0.00 0.00 57.72 58.15 1uay n HIS 89 Cb 0.56 -2.24 0.03 0.00 -0.00 0.00 0.00 29.99 28.34 1uay n HIS 89 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1uay s GLY 90 N -0.20 2.75 0.07 1.57 0.00 -1.26 -4.95 107.32 105.30 1uay s GLY 90 Ca 0.70 1.02 -0.08 0.00 0.00 0.00 0.00 44.72 46.36 1uay s GLY 90 CO 0.54 1.42 1.11 -2.00 0.00 0.00 0.00 173.10 174.18 1uay h LEU 91 N 1.07 0.59 -0.77 0.66 5.85 -2.00 -3.24 115.31 117.47 1uay h LEU 91 Ca -0.50 -0.61 -0.10 0.00 0.84 0.00 0.00 57.88 57.51 1uay h LEU 91 Cb 1.29 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1uay h LEU 91 CO 0.56 1.46 -0.13 -0.33 -0.34 0.00 0.00 178.44 179.66 1uay h GLU 92 N 0.12 0.79 -0.59 1.25 5.08 -1.99 -0.89 114.58 118.36 1uay h GLU 92 Ca -0.17 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1uay h GLU 92 Cb 1.99 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 1uay h GLU 92 CO 0.22 0.88 0.08 0.66 -1.00 0.00 0.00 179.01 179.86 1uay h SER 93 N 0.71 0.92 -0.10 1.42 4.64 -1.97 -0.32 113.55 118.85 1uay h SER 93 Ca 0.12 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1uay h SER 93 Cb 0.62 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1uay h SER 93 CO 0.04 0.94 0.02 0.15 -0.87 0.00 0.00 176.83 177.11 1uay h PHE 94 N 0.91 0.17 -0.85 4.77 3.57 -1.51 -2.73 116.94 121.27 1uay h PHE 94 Ca 0.18 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1uay h PHE 94 Cb 0.42 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1uay h PHE 94 CO 0.03 0.35 0.54 -0.09 -2.23 0.00 0.00 178.31 176.91 1uay h ARG 95 N -0.06 1.00 -0.49 1.11 2.43 -0.87 -1.82 114.38 115.69 1uay h ARG 95 Ca 0.03 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1uay h ARG 95 Cb 0.27 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1uay h ARG 95 CO 0.00 0.66 0.27 -0.09 -1.51 0.00 0.00 179.97 179.30 1uay h ARG 96 N 1.03 0.69 -0.61 0.20 2.43 -0.97 0.15 114.38 117.29 1uay h ARG 96 Ca 0.35 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1uay h ARG 96 Cb 0.05 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1uay h ARG 96 CO -0.13 0.54 0.29 0.28 -1.51 0.00 0.00 179.97 179.44 1uay h VAL 97 N 0.65 1.22 -0.38 0.20 2.07 -1.16 -1.51 116.25 117.35 1uay h VAL 97 Ca 0.17 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1uay h VAL 97 Cb 0.05 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1uay h VAL 97 CO -0.03 0.25 0.13 0.25 0.02 0.00 0.00 177.57 178.19 1uay h LEU 98 N 0.84 0.54 0.06 2.57 5.85 -0.98 -1.31 115.31 122.89 1uay h LEU 98 Ca 0.21 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1uay h LEU 98 Cb 0.13 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1uay h LEU 98 CO -0.03 0.59 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.17 1uay h GLU 99 N 0.46 -0.30 0.20 1.25 4.39 -0.39 -0.06 114.58 120.14 1uay h GLU 99 Ca 0.12 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1uay h GLU 99 Cb 0.24 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1uay h GLU 99 CO -0.01 -0.20 -0.10 0.28 -1.16 0.00 0.00 179.01 177.83 1uay h VAL 100 N -0.31 0.81 -0.32 3.13 2.07 -1.27 0.18 116.25 120.54 1uay h VAL 100 Ca 0.04 -0.96 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 1uay h VAL 100 Cb 0.34 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1uay h VAL 100 CO -0.12 0.19 -0.46 0.78 0.02 0.00 0.00 177.57 177.98 1uay h ASN 101 N -0.82 0.91 0.00 0.57 2.35 -1.30 -3.02 115.58 114.28 1uay h ASN 101 Ca -0.03 -0.45 -0.06 0.00 -0.55 0.00 0.00 56.30 55.22 1uay h ASN 101 Cb 0.52 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1uay h ASN 101 CO 0.05 1.22 -1.18 -0.11 -1.65 0.00 0.00 177.43 175.76 1uay n LEU 102 N -4.03 1.93 -0.24 1.61 7.94 -0.13 -3.96 117.00 120.12 1uay n LEU 102 Ca -0.03 0.33 -0.02 0.00 -1.11 0.00 0.00 56.01 55.18 1uay n LEU 102 Cb 0.58 -0.74 0.17 0.00 0.53 0.00 0.00 43.42 43.96 1uay n LEU 102 CO 0.49 -0.17 1.14 0.25 -1.11 0.00 0.00 177.39 177.99 1uay h LEU 103 N -0.99 0.94 -0.72 -1.96 6.46 -1.09 -1.09 115.31 116.86 1uay h LEU 103 Ca -0.09 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1uay h LEU 103 Cb 1.06 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1uay h LEU 103 CO -0.05 0.77 0.42 1.23 -0.62 0.00 0.00 178.44 180.19 1uay h GLY 104 N 1.09 1.06 1.07 3.75 0.00 -0.50 0.23 103.07 109.78 1uay h GLY 104 Ca 0.26 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1uay h GLY 104 CO -0.04 0.44 0.11 -0.84 0.00 0.00 0.00 176.54 176.21 1uay h THR 105 N 0.99 1.26 -0.46 4.70 2.02 -1.54 -1.43 112.91 118.45 1uay h THR 105 Ca 0.26 -1.04 -0.13 0.00 0.77 0.00 0.00 66.41 66.27 1uay h THR 105 Cb -0.01 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1uay h THR 105 CO -0.05 0.39 -0.21 0.15 0.37 0.00 0.00 175.52 176.18 1uay h PHE 106 N 1.04 1.07 -0.42 3.16 3.57 -0.68 -0.88 116.94 123.81 1uay h PHE 106 Ca 0.21 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1uay h PHE 106 Cb 0.44 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1uay h PHE 106 CO 0.03 1.06 0.24 -0.97 -2.23 0.00 0.00 178.31 176.44 1uay h ASN 107 N 0.81 0.51 -0.51 0.41 -1.24 -0.27 0.05 115.58 115.34 1uay h ASN 107 Ca 0.11 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 1uay h ASN 107 Cb 0.77 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 1uay h ASN 107 CO 0.06 0.43 0.04 0.58 -1.29 0.00 0.00 177.43 177.25 1uay h VAL 108 N 0.55 1.26 -0.18 2.57 2.07 -1.17 -2.54 116.25 118.81 1uay h VAL 108 Ca 0.15 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1uay h VAL 108 Cb 0.02 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1uay h VAL 108 CO -0.03 0.36 0.09 0.25 0.02 0.00 0.00 177.57 178.26 1uay h LEU 109 N 0.75 0.23 -0.64 2.57 6.46 -0.75 -0.56 115.31 123.37 1uay h LEU 109 Ca 0.15 -0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 1uay h LEU 109 Cb 0.46 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1uay h LEU 109 CO 0.02 0.28 0.05 0.08 -0.62 0.00 0.00 178.44 178.26 1uay h ARG 110 N 0.17 1.08 -0.05 1.25 0.11 -0.99 -0.76 114.38 115.19 1uay h ARG 110 Ca 0.06 -0.32 -0.24 0.00 0.10 0.00 0.00 59.98 59.58 1uay h ARG 110 Cb 0.11 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1uay h ARG 110 CO -0.01 1.03 -0.92 -0.07 0.10 0.00 0.00 179.97 180.09 1uay h LEU 111 N 1.00 0.83 -0.33 0.08 3.38 -1.41 -2.26 115.31 116.60 1uay h LEU 111 Ca 0.19 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1uay h LEU 111 Cb 0.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1uay h LEU 111 CO 0.02 1.41 -0.10 0.00 0.09 0.00 0.00 178.44 179.87 1uay h ALA 112 N 0.55 0.45 -0.69 1.53 0.00 -1.06 -2.01 119.26 118.03 1uay h ALA 112 Ca -0.09 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1uay h ALA 112 Cb 1.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1uay h ALA 112 CO 0.18 0.31 0.45 0.00 0.00 0.00 0.00 179.25 180.19 1uay h ALA 113 N 0.80 0.87 -0.73 0.00 0.00 -1.17 -1.24 119.26 117.78 1uay h ALA 113 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1uay h ALA 113 Cb 0.61 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1uay h ALA 113 CO 0.04 0.31 0.37 2.35 0.00 0.00 0.00 179.25 182.32 1uay h TRP 114 N 0.93 1.03 0.00 0.00 2.91 -1.30 -1.12 115.95 118.41 1uay h TRP 114 Ca 0.25 -0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 1uay h TRP 114 Cb -0.10 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.22 1uay h TRP 114 CO -0.02 0.75 -0.27 0.00 -1.03 0.00 0.00 178.44 177.86 1uay h ALA 115 N 1.19 1.36 -0.00 2.65 0.00 -0.74 -3.01 119.26 120.70 1uay h ALA 115 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uay h ALA 115 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1uay h ALA 115 CO -0.04 0.34 -0.72 -1.33 0.00 0.00 0.00 179.25 177.50 1uay n MET 116 N -3.94 0.34 0.30 0.00 2.81 -0.53 -4.50 117.12 111.60 1uay n MET 116 Ca -0.02 -0.27 0.18 0.00 -1.81 0.00 0.00 57.70 55.79 1uay n MET 116 Cb 0.35 -1.49 0.93 0.00 -0.71 0.00 0.00 33.22 32.29 1uay n MET 116 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1uay h ARG 117 N 0.65 0.00 -0.26 0.03 0.11 -1.07 -1.46 114.38 112.37 1uay h ARG 117 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1uay h ARG 117 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1uay h ARG 117 CO 0.00 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.46 1uay n GLU 118 N -3.18 2.85 -2.08 0.08 1.02 -1.26 -5.02 120.64 113.05 1uay n GLU 118 Ca -0.01 -2.11 -0.38 0.00 -0.02 0.00 0.00 57.16 54.64 1uay n GLU 118 Cb 0.29 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1uay n GLU 118 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1uay s ASN 119 N -1.22 6.06 0.13 1.62 0.01 -0.55 -4.94 114.94 116.04 1uay s ASN 119 Ca 0.23 2.54 -0.31 0.00 -0.71 0.00 0.00 52.86 54.61 1uay s ASN 119 Cb 0.14 -2.62 -0.08 0.00 0.41 0.00 0.00 41.25 39.10 1uay s ASN 119 CO 0.12 -1.01 1.32 -2.84 -1.51 0.00 0.00 177.10 173.17 1uay s PRO 120 N -2.53 4.37 0.51 -0.60 0.02 -1.26 -4.85 135.00 130.65 1uay s PRO 120 Ca 0.62 1.99 -0.22 0.00 0.02 0.00 0.00 61.00 63.41 1uay s PRO 120 Cb -0.35 -3.26 -0.07 0.00 0.02 0.00 0.00 34.50 30.85 1uay s PRO 120 CO 0.43 -0.34 1.21 -2.30 -0.33 0.00 0.00 177.00 175.68 1uay n PRO 121 N 3.56 1.56 -0.89 5.54 -0.02 -1.26 -4.82 135.00 138.67 1uay n PRO 121 Ca 0.09 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1uay n PRO 121 Cb 0.43 -2.38 0.08 0.00 -0.02 0.00 0.00 33.50 31.61 1uay n PRO 121 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1uay n ASP 122 N -0.45 0.13 0.28 2.55 5.68 -0.27 -4.81 116.55 119.65 1uay n ASP 122 Ca 0.10 -1.24 0.18 0.00 -0.50 0.00 0.00 54.79 53.33 1uay n ASP 122 Cb 0.43 -0.39 0.96 0.00 -1.14 0.00 0.00 41.12 40.97 1uay n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uay h ALA 123 N -1.69 1.47 -0.28 2.12 0.00 -1.95 0.73 119.26 119.66 1uay h ALA 123 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1uay h ALA 123 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uay h ALA 123 CO 0.13 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.63 1uay n GLU 124 N -3.53 2.13 -0.96 0.00 -0.58 -1.26 -4.92 120.64 111.52 1uay n GLU 124 Ca -0.01 -1.70 0.00 0.00 -0.42 0.00 0.00 57.16 55.02 1uay n GLU 124 Cb 0.20 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1uay n GLU 124 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uay n GLY 125 N 1.32 0.49 3.77 0.62 0.00 0.25 -5.03 105.19 106.60 1uay n GLY 125 Ca 0.18 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1uay n GLY 125 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uay s GLN 126 N -0.54 4.21 -0.02 1.61 -0.21 -1.26 -4.53 119.66 118.93 1uay s GLN 126 Ca 0.00 0.49 0.21 0.00 0.02 0.00 0.00 55.36 56.08 1uay s GLN 126 Cb 0.00 -3.35 -0.30 0.00 1.00 0.00 0.00 33.01 30.36 1uay s GLN 126 CO 0.00 0.37 0.56 0.54 -2.12 0.00 0.00 175.29 174.64 1uay n ARG 127 N 2.89 0.54 0.00 2.91 1.74 0.11 -1.12 116.66 123.73 1uay n ARG 127 Ca -0.09 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1uay n ARG 127 Cb 0.52 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1uay n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uay n GLY 128 N 1.35 0.97 2.76 -0.13 0.00 -1.19 -4.68 105.19 104.27 1uay n GLY 128 Ca -0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 1uay n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uay s VAL 129 N -2.00 -0.08 -0.21 1.61 1.01 0.39 -1.81 120.40 119.31 1uay s VAL 129 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 1uay s VAL 129 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 1uay s VAL 129 CO 0.00 0.11 -0.07 -0.63 0.00 0.00 0.00 175.10 174.52 1uay s ILE 130 N 1.40 3.21 -0.23 2.22 1.01 0.15 -1.44 121.20 127.53 1uay s ILE 130 Ca -0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1uay s ILE 130 Cb -0.13 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1uay s ILE 130 CO -0.03 0.44 -0.05 -0.69 0.00 0.00 0.00 174.94 174.61 1uay s VAL 131 N 1.38 3.21 0.27 2.92 1.01 0.57 -1.37 120.40 128.39 1uay s VAL 131 Ca 0.05 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1uay s VAL 131 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1uay s VAL 131 CO -0.04 0.34 0.36 0.20 0.00 0.00 0.00 175.10 175.96 1uay s ASN 132 N 1.43 6.05 -0.19 3.32 0.01 0.31 -0.91 114.94 124.96 1uay s ASN 132 Ca 0.04 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.12 1uay s ASN 132 Cb -0.15 -1.57 0.03 0.00 0.41 0.00 0.00 41.25 39.96 1uay s ASN 132 CO -0.04 -0.18 -0.18 -0.89 -1.51 0.00 0.00 177.10 174.30 1uay s THR 133 N -2.07 2.00 0.00 1.60 2.01 -0.99 -0.84 115.64 117.35 1uay s THR 133 Ca 0.37 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1uay s THR 133 Cb -0.09 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1uay s THR 133 CO 0.29 0.44 0.00 0.00 -0.69 0.00 0.00 174.62 174.66 1uay n ALA 134 N 4.62 0.00 -3.64 7.40 0.00 0.40 -4.96 120.51 124.33 1uay n ALA 134 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1uay n ALA 134 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 1uay n ALA 134 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uay s SER 135 N -0.62 -0.02 0.29 0.00 0.15 -1.26 -4.39 113.70 107.84 1uay s SER 135 Ca 0.00 0.02 0.23 0.00 0.70 0.00 0.00 55.95 56.89 1uay s SER 135 Cb 0.00 0.02 1.06 0.00 -1.71 0.00 0.00 66.02 65.39 1uay s SER 135 CO 0.00 -0.03 1.69 1.33 1.20 0.00 0.00 173.24 177.43 1uay n VAL 136 N 0.29 0.92 0.32 4.45 0.24 -0.75 -1.38 118.33 122.42 1uay n VAL 136 Ca 0.02 0.44 0.20 0.00 -2.04 0.00 0.00 64.34 62.97 1uay n VAL 136 Cb 0.58 -1.41 1.06 0.00 -1.47 0.00 0.00 33.84 32.60 1uay n VAL 136 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uay h ALA 137 N 2.15 1.07 0.00 2.33 0.00 -1.87 0.58 119.26 123.52 1uay h ALA 137 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uay h ALA 137 Cb 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uay h ALA 137 CO 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 179.25 179.26 1uay h ALA 138 N 1.99 1.00 0.00 0.00 0.00 -1.44 -2.60 119.26 118.21 1uay h ALA 138 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1uay h ALA 138 Cb 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1uay h ALA 138 CO 0.00 0.00 -1.79 1.19 0.00 0.00 0.00 179.25 178.66 1uay n PHE 139 N -3.10 0.00 -2.79 0.00 3.72 0.09 -4.72 117.46 110.66 1uay n PHE 139 Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1uay n PHE 139 Cb 0.25 -0.54 -0.00 0.00 -0.94 0.00 0.00 39.48 38.25 1uay n PHE 139 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1uay n GLU 140 N -2.80 2.06 -1.65 -1.08 4.71 -0.58 -5.10 120.64 116.20 1uay n GLU 140 Ca -0.23 -3.89 -0.47 0.00 -0.01 0.00 0.00 57.16 52.56 1uay n GLU 140 Cb 0.78 -1.79 -0.04 0.00 -1.01 0.00 0.00 31.44 29.39 1uay n GLU 140 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uay n GLY 141 N -0.12 0.79 3.93 0.62 0.00 -0.98 -4.55 105.19 104.88 1uay n GLY 141 Ca 0.24 0.59 -0.26 0.00 0.00 0.00 0.00 46.02 46.60 1uay n GLY 141 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uay s GLN 142 N 0.25 2.33 0.24 1.61 -0.21 -1.26 -4.89 119.66 117.73 1uay s GLN 142 Ca 0.75 -0.20 -0.31 0.00 0.02 0.00 0.00 55.36 55.62 1uay s GLN 142 Cb -0.73 -2.18 -0.12 0.00 1.00 0.00 0.00 33.01 30.98 1uay s GLN 142 CO 0.45 -1.14 1.68 -0.89 -2.12 0.00 0.00 175.29 173.27 1uay n ILE 143 N -2.87 0.38 -0.24 1.08 5.41 -0.62 -1.33 119.36 121.17 1uay n ILE 143 Ca 0.07 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1uay n ILE 143 Cb 0.60 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1uay n ILE 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uay n GLY 144 N 3.31 0.93 1.21 7.39 0.00 -1.26 -4.93 105.19 111.84 1uay n GLY 144 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1uay n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uay n GLN 145 N -2.00 2.26 -0.08 1.61 1.13 -0.44 -0.75 117.38 119.11 1uay n GLN 145 Ca 0.00 -3.07 -0.09 0.00 -1.94 0.00 0.00 57.00 51.91 1uay n GLN 145 Cb 0.00 -1.87 -0.01 0.00 0.11 0.00 0.00 30.24 28.46 1uay n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1uay h ALA 146 N 1.29 0.38 -0.07 -1.58 0.00 -1.81 0.16 119.26 117.63 1uay h ALA 146 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1uay h ALA 146 Cb 1.73 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1uay h ALA 146 CO 0.42 -0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.51 1uay h ALA 147 N 1.12 0.09 -0.16 0.00 0.00 -1.88 -0.80 119.26 117.63 1uay h ALA 147 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uay h ALA 147 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1uay h ALA 147 CO -0.04 -0.28 0.10 -0.92 0.00 0.00 0.00 179.25 178.10 1uay h TYR 148 N -0.11 0.21 -0.49 0.00 3.20 -1.81 -1.67 116.97 116.30 1uay h TYR 148 Ca 0.02 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1uay h TYR 148 Cb 0.25 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 1uay h TYR 148 CO 0.01 0.17 0.27 0.00 -1.64 0.00 0.00 178.16 176.96 1uay h ALA 149 N 1.02 0.63 -0.55 1.82 0.00 -0.64 -1.43 119.26 120.11 1uay h ALA 149 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1uay h ALA 149 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1uay h ALA 149 CO -0.01 -0.06 0.36 0.00 0.00 0.00 0.00 179.25 179.53 1uay h ALA 150 N 1.25 0.69 -0.78 0.00 0.00 -0.92 0.15 119.26 119.65 1uay h ALA 150 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1uay h ALA 150 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1uay h ALA 150 CO -0.13 0.12 0.30 0.66 0.00 0.00 0.00 179.25 180.21 1uay h SER 151 N 0.73 1.09 0.82 0.00 4.64 -0.86 -1.99 113.55 117.98 1uay h SER 151 Ca 0.20 -0.18 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 1uay h SER 151 Cb -0.07 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.71 1uay h SER 151 CO -0.05 0.97 -0.73 0.11 -0.87 0.00 0.00 176.83 176.26 1uay h LYS 152 N 1.14 0.00 -0.08 4.77 1.79 -0.91 -2.72 116.57 120.56 1uay h LYS 152 Ca 0.26 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.65 1uay h LYS 152 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1uay h LYS 152 CO -0.02 0.73 -0.31 0.78 -1.08 0.00 0.00 179.45 179.54 1uay h GLY 153 N 2.37 0.17 1.13 3.86 0.00 -0.37 -0.79 103.07 109.43 1uay h GLY 153 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1uay h GLY 153 CO 0.09 0.12 -0.24 -1.33 0.00 0.00 0.00 176.54 175.19 1uay h GLY 154 N 1.04 1.07 0.99 4.60 0.00 -1.10 -1.57 103.07 108.09 1uay h GLY 154 Ca 0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.34 1uay h GLY 154 CO 0.05 0.88 0.19 -2.08 0.00 0.00 0.00 176.54 175.57 1uay h VAL 155 N 0.84 1.23 -0.04 4.60 2.07 -1.10 -1.56 116.25 122.29 1uay h VAL 155 Ca 0.10 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1uay h VAL 155 Cb 0.82 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1uay h VAL 155 CO 0.07 0.29 -0.02 0.58 0.02 0.00 0.00 177.57 178.51 1uay h VAL 156 N 0.79 0.92 0.00 2.57 2.07 -1.00 -2.75 116.25 118.85 1uay h VAL 156 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1uay h VAL 156 Cb 0.26 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1uay h VAL 156 CO -0.01 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.43 1uay h ALA 157 N 1.02 1.34 -0.00 1.67 0.00 -1.10 -2.72 119.26 119.47 1uay h ALA 157 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1uay h ALA 157 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1uay h ALA 157 CO -0.06 0.19 -0.52 1.25 0.00 0.00 0.00 179.25 180.11 1uay h LEU 158 N 0.00 0.00 -0.35 0.00 5.85 -0.98 -3.36 115.31 116.47 1uay h LEU 158 Ca -0.00 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1uay h LEU 158 Cb 0.38 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 1uay h LEU 158 CO 0.02 0.53 -0.44 0.74 -0.34 0.00 0.00 178.44 178.95 1uay h THR 159 N 0.00 0.11 0.22 1.05 2.02 -1.39 -2.30 112.91 112.62 1uay h THR 159 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1uay h THR 159 Cb 0.93 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1uay h THR 159 CO 0.07 0.00 -0.10 0.25 0.37 0.00 0.00 175.52 176.10 1uay h LEU 160 N -0.36 -0.25 -1.93 2.58 5.85 -1.76 -0.55 115.31 118.89 1uay h LEU 160 Ca 0.12 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1uay h LEU 160 Cb 0.59 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1uay h LEU 160 CO -0.54 0.04 -0.03 1.55 -0.34 0.00 0.00 178.44 179.11 1uay h PRO 161 N -0.55 0.01 -0.07 5.25 0.13 -1.75 0.16 132.00 135.19 1uay h PRO 161 Ca -0.03 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 1uay h PRO 161 Cb 0.40 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1uay h PRO 161 CO 0.05 0.04 -0.19 0.00 -0.23 0.00 0.00 178.00 177.67 1uay h ALA 162 N 1.96 0.12 -0.85 -0.56 0.00 -1.32 -2.84 119.26 115.77 1uay h ALA 162 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1uay h ALA 162 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1uay h ALA 162 CO 0.00 0.06 0.39 0.00 0.00 0.00 0.00 179.25 179.70 1uay h ALA 163 N 0.46 1.09 -0.69 0.00 0.00 -0.52 -0.45 119.26 119.15 1uay h ALA 163 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1uay h ALA 163 Cb 0.79 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1uay h ALA 163 CO 0.04 0.67 0.45 0.00 0.00 0.00 0.00 179.25 180.41 1uay h ARG 164 N 1.21 0.87 -0.00 0.00 3.08 -0.72 -0.75 114.38 118.07 1uay h ARG 164 Ca 0.29 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 1uay h ARG 164 Cb 0.14 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.00 1uay h ARG 164 CO -0.03 0.58 -0.31 1.49 -1.07 0.00 0.00 179.97 180.62 1uay h GLU 165 N 0.90 0.22 0.00 0.04 4.81 -1.27 -3.28 114.58 116.00 1uay h GLU 165 Ca 0.26 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1uay h GLU 165 Cb -0.06 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1uay h GLU 165 CO -0.08 0.95 0.00 1.28 -0.73 0.00 0.00 179.01 180.43 1uay n LEU 166 N -4.45 0.55 -0.26 1.64 4.77 -0.20 -2.55 117.00 116.49 1uay n LEU 166 Ca -0.10 0.65 0.05 0.00 -0.03 0.00 0.00 56.01 56.58 1uay n LEU 166 Cb 0.53 -0.59 0.28 0.00 -2.33 0.00 0.00 43.42 41.31 1uay n LEU 166 CO 0.40 -0.55 1.24 0.00 -1.33 0.00 0.00 177.39 177.15 1uay h ALA 167 N 2.27 1.57 0.00 -1.18 0.00 -1.19 0.58 119.26 121.31 1uay h ALA 167 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uay h ALA 167 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uay h ALA 167 CO 0.00 0.30 0.00 0.78 0.00 0.00 0.00 179.25 180.33 1uay h GLY 168 N 0.94 0.00 -1.51 0.00 0.00 -1.69 -1.61 103.07 99.18 1uay h GLY 168 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1uay h GLY 168 CO -0.13 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.20 1uay n TRP 169 N -2.81 0.08 -2.05 5.60 7.02 0.11 -4.97 117.44 120.42 1uay n TRP 169 Ca -0.01 -0.06 -0.06 0.00 -1.02 0.00 0.00 57.50 56.35 1uay n TRP 169 Cb 0.17 -0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.06 1uay n TRP 169 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1uay n GLY 170 N 1.03 0.16 3.22 6.99 0.00 -0.61 -4.36 105.19 111.62 1uay n GLY 170 Ca 0.11 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1uay n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uay s ILE 171 N -2.31 2.62 0.34 -0.61 1.01 -0.67 0.07 121.20 121.65 1uay s ILE 171 Ca 0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1uay s ILE 171 Cb 0.00 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.28 1uay s ILE 171 CO 0.00 0.50 0.65 -0.13 0.00 0.00 0.00 174.94 175.95 1uay s ARG 172 N 1.21 3.70 -0.06 2.79 0.52 -0.75 -3.84 118.95 122.52 1uay s ARG 172 Ca 0.02 0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1uay s ARG 172 Cb -0.14 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.82 1uay s ARG 172 CO -0.06 0.11 0.02 0.08 0.02 0.00 0.00 175.30 175.46 1uay s VAL 173 N -2.20 0.21 0.06 3.52 1.01 -1.26 -0.67 120.40 121.06 1uay s VAL 173 Ca 0.47 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1uay s VAL 173 Cb -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1uay s VAL 173 CO 0.30 0.23 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 1uay s VAL 174 N 2.00 0.72 -0.05 2.92 1.01 -0.47 -0.44 120.40 126.09 1uay s VAL 174 Ca 0.04 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1uay s VAL 174 Cb -0.12 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 1uay s VAL 174 CO -0.04 -0.37 -0.20 -0.89 0.00 0.00 0.00 175.10 173.60 1uay s THR 175 N -1.50 1.65 -0.17 3.92 2.01 -0.31 -0.53 115.64 120.71 1uay s THR 175 Ca -0.06 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 1uay s THR 175 Cb -0.09 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1uay s THR 175 CO 0.01 0.47 0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 1uay s VAL 176 N 0.05 4.70 -0.57 3.82 1.01 -0.02 -0.26 120.40 129.13 1uay s VAL 176 Ca -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1uay s VAL 176 Cb -0.13 -3.10 0.15 0.00 0.00 0.00 0.00 36.38 33.30 1uay s VAL 176 CO 0.03 0.48 0.37 0.00 0.00 0.00 0.00 175.10 175.99 1uay s ALA 177 N 0.19 3.46 0.58 5.51 0.00 0.52 -0.45 121.76 131.57 1uay s ALA 177 Ca 0.04 -3.08 -0.18 0.00 0.00 0.00 0.00 51.96 48.74 1uay s ALA 177 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1uay s ALA 177 CO 0.01 -2.02 1.10 -2.14 0.00 0.00 0.00 175.76 172.70 1uay s PRO 178 N 0.22 3.24 0.00 0.00 0.02 -1.26 -1.36 135.00 135.86 1uay s PRO 178 Ca 0.15 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1uay s PRO 178 Cb -0.21 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1uay s PRO 178 CO -0.03 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.14 1uay n GLY 179 N -0.27 0.62 3.57 0.52 0.00 0.40 -1.81 105.19 108.23 1uay n GLY 179 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1uay n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uay s LEU 180 N 0.00 4.23 0.18 0.99 1.43 -1.26 -4.87 118.68 119.38 1uay s LEU 180 Ca 0.00 0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1uay s LEU 180 Cb 0.00 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1uay s LEU 180 CO 0.00 -0.67 -0.21 -0.36 0.23 0.00 0.00 176.35 175.33 1uay s PHE 181 N 2.88 2.37 -1.12 0.29 0.40 -1.26 -0.33 117.98 121.21 1uay s PHE 181 Ca 0.27 -0.33 -0.21 0.00 -0.60 0.00 0.00 56.93 56.05 1uay s PHE 181 Cb -0.14 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.23 1uay s PHE 181 CO 0.16 0.49 1.68 0.34 0.70 0.00 0.00 175.22 178.59 1uay s ASP 182 N -2.63 6.25 0.16 1.36 -1.08 -0.06 -4.78 116.67 115.89 1uay s ASP 182 Ca 0.21 -1.71 0.09 0.00 -0.52 0.00 0.00 52.55 50.62 1uay s ASP 182 Cb -0.08 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 1uay s ASP 182 CO 0.11 -1.75 -0.20 0.42 0.52 0.00 0.00 175.17 174.26 1uay s THR 183 N 6.16 1.95 0.64 1.71 -4.23 -1.26 -4.69 115.64 115.91 1uay s THR 183 Ca 0.55 -1.89 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 1uay s THR 183 Cb 0.00 -1.88 0.31 0.00 1.34 0.00 0.00 72.50 72.28 1uay s THR 183 CO 0.00 -0.22 1.83 -0.65 -0.54 0.00 0.00 174.62 175.05 1uay h PRO 184 N 3.36 0.00 -6.66 3.99 0.11 -1.98 -3.51 132.00 127.31 1uay h PRO 184 Ca -0.44 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.15 1uay h PRO 184 Cb 1.20 0.00 0.22 0.00 0.11 0.00 0.00 31.00 32.53 1uay h PRO 184 CO 0.48 0.00 -0.84 1.28 -0.21 0.00 0.00 178.00 178.72 1uay n LEU 185 N -3.18 -1.27 -1.22 2.35 4.77 -1.26 -5.19 117.00 111.99 1uay n LEU 185 Ca 0.03 0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 1uay n LEU 185 Cb 0.56 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 1uay n LEU 185 CO 0.18 -3.88 0.16 -2.65 -1.33 0.00 0.00 177.39 169.87 1uay n PRO 190 N -1.12 0.00 -0.22 3.23 -0.02 -1.26 -5.14 135.00 130.47 1uay n PRO 190 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.53 1uay n PRO 190 Cb 0.55 -0.41 0.24 0.00 -0.02 0.00 0.00 33.50 33.87 1uay n PRO 190 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1uay h GLU 191 N 0.84 1.00 -0.26 -0.52 4.39 -2.05 -2.10 114.58 115.87 1uay h GLU 191 Ca -0.14 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.55 1uay h GLU 191 Cb 0.39 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1uay h GLU 191 CO 0.18 0.66 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.44 1uay h LYS 192 N 1.03 0.04 -0.30 2.33 1.63 -2.05 -0.29 116.57 118.95 1uay h LYS 192 Ca 0.28 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.97 1uay h LYS 192 Cb -0.12 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1uay h LYS 192 CO -0.06 0.03 -0.24 0.00 -3.45 0.00 0.00 179.45 175.73 1uay h ALA 193 N 1.24 0.43 -0.76 5.00 0.00 -1.93 -2.48 119.26 120.76 1uay h ALA 193 Ca 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1uay h ALA 193 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1uay h ALA 193 CO -0.24 0.41 0.41 0.87 0.00 0.00 0.00 179.25 180.70 1uay h LYS 194 N 0.44 1.05 -0.37 0.00 1.57 -1.17 -1.26 116.57 116.84 1uay h LYS 194 Ca 0.06 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1uay h LYS 194 Cb 0.80 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1uay h LYS 194 CO 0.06 0.77 -0.07 0.00 -0.57 0.00 0.00 179.45 179.65 1uay h ALA 195 N 1.39 0.51 -0.81 3.86 0.00 -1.00 -0.84 119.26 122.36 1uay h ALA 195 Ca 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1uay h ALA 195 Cb 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1uay h ALA 195 CO -0.04 0.34 0.48 1.03 0.00 0.00 0.00 179.25 181.06 1uay h SER 196 N 0.50 0.99 -0.14 0.00 0.87 -1.04 -2.03 113.55 112.70 1uay h SER 196 Ca 0.10 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1uay h SER 196 Cb 0.57 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1uay h SER 196 CO 0.03 0.78 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.01 1uay h LEU 197 N 1.12 0.27 -0.85 2.23 3.38 -1.10 -3.18 115.31 117.19 1uay h LEU 197 Ca 0.29 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1uay h LEU 197 Cb -0.02 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1uay h LEU 197 CO -0.05 0.58 0.51 0.00 0.09 0.00 0.00 178.44 179.56 1uay h ALA 198 N 0.71 1.20 0.00 1.53 0.00 -0.98 -0.80 119.26 120.92 1uay h ALA 198 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uay h ALA 198 Cb 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1uay h ALA 198 CO 0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1uay n ALA 199 N -2.37 1.43 0.80 0.00 0.00 -0.78 -2.50 120.51 117.10 1uay n ALA 199 Ca 0.13 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1uay n ALA 199 Cb 0.24 -1.21 0.17 0.00 0.00 0.00 0.00 19.45 18.66 1uay n ALA 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uay n GLN 200 N -1.70 0.13 -2.59 0.00 6.02 -0.31 -4.86 117.38 114.08 1uay n GLN 200 Ca 0.02 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.60 1uay n GLN 200 Cb 0.12 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 1uay n GLN 200 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uay s VAL 201 N -3.08 4.38 0.06 5.09 1.01 -1.04 -4.62 120.40 122.20 1uay s VAL 201 Ca 0.08 1.57 -0.35 0.00 0.00 0.00 0.00 61.98 63.28 1uay s VAL 201 Cb 0.16 -4.39 -0.19 0.00 0.00 0.00 0.00 36.38 31.96 1uay s VAL 201 CO 0.73 -0.56 1.52 -0.65 0.00 0.00 0.00 175.10 176.14 1uay h PRO 202 N 8.51 -1.17 -1.89 2.72 0.11 -1.80 -3.39 132.00 135.09 1uay h PRO 202 Ca -0.22 0.08 0.03 0.00 0.11 0.00 0.00 66.00 66.00 1uay h PRO 202 Cb 1.07 0.27 -0.22 0.00 0.11 0.00 0.00 31.00 32.22 1uay h PRO 202 CO 1.05 -0.78 0.13 0.12 -0.21 0.00 0.00 178.00 178.31 1uay s PHE 203 N -5.74 -0.89 0.34 0.65 5.36 -0.91 -3.99 117.98 112.79 1uay s PHE 203 Ca -0.18 1.87 -0.27 0.00 -0.96 0.00 0.00 56.93 57.38 1uay s PHE 203 Cb 0.02 0.50 -0.09 0.00 -0.34 0.00 0.00 43.02 43.11 1uay s PHE 203 CO 0.55 -0.44 1.15 -1.25 -1.46 0.00 0.00 175.22 173.77 1uay s PRO 204 N 1.27 4.35 -1.38 10.12 0.04 -1.26 -4.32 135.00 143.82 1uay s PRO 204 Ca -0.07 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1uay s PRO 204 Cb -0.05 -2.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 1uay s PRO 204 CO -0.14 -0.06 2.57 -0.35 0.04 0.00 0.00 177.00 179.05 1uay n PRO 205 N 0.62 3.03 -3.82 0.56 -0.04 -1.26 -4.77 135.00 129.33 1uay n PRO 205 Ca 0.01 -2.09 -0.08 0.00 -0.04 0.00 0.00 63.50 61.31 1uay n PRO 205 Cb 0.45 -2.83 0.02 0.00 -0.04 0.00 0.00 33.50 31.10 1uay n PRO 205 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1uay s ARG 206 N 2.84 2.05 0.39 0.54 1.70 -1.26 -5.06 118.95 120.15 1uay s ARG 206 Ca 0.58 -1.29 -0.24 0.00 -0.47 0.00 0.00 55.73 54.31 1uay s ARG 206 Cb 0.15 0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 35.03 1uay s ARG 206 CO -0.05 -0.96 1.01 -0.51 -1.08 0.00 0.00 175.30 173.71 1uay s LEU 207 N -3.08 4.14 0.54 -1.89 1.43 -1.26 -4.99 118.68 113.56 1uay s LEU 207 Ca 0.15 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.99 1uay s LEU 207 Cb -0.05 -4.22 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 1uay s LEU 207 CO 0.10 -0.38 1.09 -0.83 0.23 0.00 0.00 176.35 176.56 1uay s GLY 208 N -1.70 2.50 -0.07 -3.19 0.00 0.56 -4.72 107.32 100.70 1uay s GLY 208 Ca 0.57 0.69 -0.13 0.00 0.00 0.00 0.00 44.72 45.85 1uay s GLY 208 CO 0.24 1.03 0.34 0.50 0.00 0.00 0.00 173.10 175.20 1uay s ARG 209 N -3.44 3.92 0.44 2.90 0.52 -1.26 -0.88 118.95 121.15 1uay s ARG 209 Ca 0.70 0.24 0.21 0.00 -0.52 0.00 0.00 55.73 56.36 1uay s ARG 209 Cb -0.20 -3.27 1.19 0.00 0.52 0.00 0.00 34.95 33.18 1uay s ARG 209 CO 0.27 0.58 1.84 -1.35 0.02 0.00 0.00 175.30 176.66 1uay h PRO 210 N 5.31 0.30 0.00 3.54 0.11 -1.91 0.15 132.00 139.50 1uay h PRO 210 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1uay h PRO 210 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uay h PRO 210 CO 0.65 0.20 -0.07 0.93 -0.21 0.00 0.00 178.00 179.49 1uay h GLU 211 N 0.31 0.00 -0.05 1.05 3.07 -1.93 -1.18 114.58 115.85 1uay h GLU 211 Ca 0.50 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.20 1uay h GLU 211 Cb 1.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1uay h GLU 211 CO -0.17 0.07 -0.69 0.93 -1.40 0.00 0.00 179.01 177.75 1uay h GLU 212 N 0.00 0.25 -0.19 2.33 5.08 -1.09 -0.07 114.58 120.89 1uay h GLU 212 Ca -0.00 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1uay h GLU 212 Cb 0.14 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1uay h GLU 212 CO 0.01 0.84 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.80 1uay h TYR 213 N 0.17 0.51 -0.94 4.33 5.03 -1.28 -2.72 116.97 122.07 1uay h TYR 213 Ca -0.02 -0.14 0.02 0.00 2.58 0.00 0.00 58.73 61.17 1uay h TYR 213 Cb 1.24 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 39.35 1uay h TYR 213 CO 0.03 0.77 0.62 0.00 -1.32 0.00 0.00 178.16 178.25 1uay h ALA 214 N 0.66 1.35 -0.73 1.82 0.00 -1.09 -1.27 119.26 120.01 1uay h ALA 214 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1uay h ALA 214 Cb 0.66 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1uay h ALA 214 CO 0.04 0.58 0.42 0.00 0.00 0.00 0.00 179.25 180.29 1uay h ALA 215 N 1.43 0.93 -0.54 0.00 0.00 -0.91 -0.73 119.26 119.44 1uay h ALA 215 Ca 0.35 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1uay h ALA 215 Cb -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1uay h ALA 215 CO -0.09 0.42 -0.02 1.25 0.00 0.00 0.00 179.25 180.81 1uay h LEU 216 N 0.99 0.95 -0.39 0.00 5.85 -1.07 -1.72 115.31 119.92 1uay h LEU 216 Ca 0.26 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1uay h LEU 216 Cb -0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1uay h LEU 216 CO -0.05 1.04 0.23 0.58 -0.34 0.00 0.00 178.44 179.90 1uay h VAL 217 N 0.83 1.05 -0.44 1.05 2.07 -0.81 -0.91 116.25 119.11 1uay h VAL 217 Ca 0.15 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1uay h VAL 217 Cb 0.56 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1uay h VAL 217 CO 0.03 0.09 0.10 -0.07 0.02 0.00 0.00 177.57 177.74 1uay h LEU 218 N 0.47 0.60 -0.57 2.57 4.07 -0.98 -1.87 115.31 119.61 1uay h LEU 218 Ca 0.15 -0.09 -0.16 0.00 0.08 0.00 0.00 57.88 57.86 1uay h LEU 218 Cb -0.01 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1uay h LEU 218 CO -0.06 0.60 -0.61 -0.74 -1.08 0.00 0.00 178.44 176.55 1uay h HIS 219 N 0.64 0.45 -0.74 1.13 2.76 -0.69 -2.08 115.15 116.62 1uay h HIS 219 Ca 0.15 -0.17 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1uay h HIS 219 Cb 0.24 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1uay h HIS 219 CO 0.01 0.87 0.48 0.82 -1.30 0.00 0.00 177.93 178.82 1uay h ILE 220 N 0.26 1.15 -0.39 6.26 2.04 -0.68 -0.37 117.51 125.78 1uay h ILE 220 Ca -0.01 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1uay h ILE 220 Cb 1.14 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1uay h ILE 220 CO 0.10 0.18 0.15 -0.07 0.00 0.00 0.00 178.15 178.51 1uay h LEU 221 N 0.97 0.49 -0.36 1.44 3.38 -1.03 -2.74 115.31 117.46 1uay h LEU 221 Ca 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1uay h LEU 221 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1uay h LEU 221 CO -0.08 0.45 -0.29 -0.62 0.09 0.00 0.00 178.44 177.99 1uay n GLU 222 N -4.38 0.64 -3.86 1.13 1.02 -0.65 -4.72 120.64 109.82 1uay n GLU 222 Ca 0.02 -0.36 -0.34 0.00 -0.02 0.00 0.00 57.16 56.46 1uay n GLU 222 Cb 0.15 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 1uay n GLU 222 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1uay s ASN 223 N -2.61 5.01 0.54 1.62 3.84 -0.24 -4.98 114.94 118.12 1uay s ASN 223 Ca 0.22 -2.26 0.29 0.00 0.21 0.00 0.00 52.86 51.31 1uay s ASN 223 Cb 0.19 -1.75 1.44 0.00 -0.55 0.00 0.00 41.25 40.58 1uay s ASN 223 CO 0.55 -0.44 1.94 -0.65 -2.79 0.00 0.00 177.10 175.71 1uay h PRO 224 N 7.64 0.00 0.00 0.43 0.11 -1.84 -2.31 132.00 136.03 1uay h PRO 224 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1uay h PRO 224 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1uay h PRO 224 CO 0.64 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.10 1uay n MET 225 N -4.31 0.24 -2.63 1.05 2.81 -1.26 -4.61 117.12 108.40 1uay n MET 225 Ca 0.14 0.33 -0.43 0.00 -1.81 0.00 0.00 57.70 55.93 1uay n MET 225 Cb 0.79 -1.85 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 1uay n MET 225 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1uay s LEU 226 N -4.55 3.72 -0.24 4.03 1.43 -0.87 -4.97 118.68 117.23 1uay s LEU 226 Ca 0.07 0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 53.44 1uay s LEU 226 Cb 0.11 -3.51 0.07 0.00 0.03 0.00 0.00 46.19 42.89 1uay s LEU 226 CO 0.50 -1.17 0.70 0.21 0.23 0.00 0.00 176.35 176.82 1uay s ASN 227 N 2.31 -0.73 -1.97 2.29 2.47 -1.26 -4.85 114.94 113.20 1uay s ASN 227 Ca 0.46 1.33 0.00 0.00 0.42 0.00 0.00 52.86 55.07 1uay s ASN 227 Cb -0.08 1.32 0.00 0.00 -1.45 0.00 0.00 41.25 41.04 1uay s ASN 227 CO 0.29 -0.29 0.00 0.61 -3.72 0.00 0.00 177.10 173.98 1uay n GLY 228 N 2.46 1.72 3.55 1.21 0.00 0.42 -4.98 105.19 109.56 1uay n GLY 228 Ca -0.15 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1uay n GLY 228 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uay s GLU 229 N -3.65 1.95 -0.20 1.61 2.56 -1.26 -4.35 118.70 115.36 1uay s GLU 229 Ca 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 54.97 53.34 1uay s GLU 229 Cb 0.00 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 34.19 1uay s GLU 229 CO 0.00 0.35 -0.10 0.08 -0.56 0.00 0.00 175.26 175.02 1uay s VAL 230 N -2.41 2.89 -0.28 3.70 1.01 -1.26 -1.16 120.40 122.90 1uay s VAL 230 Ca 0.30 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1uay s VAL 230 Cb -0.06 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1uay s VAL 230 CO 0.17 0.47 0.10 -0.69 0.00 0.00 0.00 175.10 175.15 1uay s VAL 231 N 1.32 4.33 0.02 2.92 1.01 0.64 -4.93 120.40 125.71 1uay s VAL 231 Ca 0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1uay s VAL 231 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1uay s VAL 231 CO -0.06 0.18 1.04 -0.13 0.00 0.00 0.00 175.10 176.13 1uay s ARG 232 N 1.59 4.53 -0.52 2.72 0.52 -1.26 -0.36 118.95 126.17 1uay s ARG 232 Ca 0.05 1.51 0.03 0.00 -0.52 0.00 0.00 55.73 56.81 1uay s ARG 232 Cb -0.16 -3.43 0.14 0.00 0.52 0.00 0.00 34.95 32.02 1uay s ARG 232 CO 0.04 -0.10 0.30 -1.17 0.02 0.00 0.00 175.30 174.39 1uay s LEU 233 N 1.02 3.54 0.00 2.53 2.96 -0.47 -4.92 118.68 123.35 1uay s LEU 233 Ca 0.54 -3.03 0.00 0.00 -0.22 0.00 0.00 54.13 51.42 1uay s LEU 233 Cb -0.23 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1uay s LEU 233 CO 0.28 -0.21 0.51 -0.90 -1.32 0.00 0.00 176.35 174.72 1uay n ASP 234 N 3.03 0.00 -2.13 3.68 5.68 -1.26 -0.45 116.55 125.10 1uay n ASP 234 Ca 0.11 -1.21 -0.21 0.00 -0.50 0.00 0.00 54.79 52.98 1uay n ASP 234 Cb 0.35 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1uay n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uay n GLY 235 N 0.00 0.35 2.22 6.12 0.00 -1.26 -1.75 105.19 110.87 1uay n GLY 235 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1uay n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uay n ALA 236 N -0.87 -0.05 -1.78 4.61 0.00 -1.26 -2.13 120.51 119.02 1uay n ALA 236 Ca -0.23 0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1uay n ALA 236 Cb 0.69 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1uay n ALA 236 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1uay s LEU 237 N -0.78 4.44 -0.28 0.00 2.96 -0.71 -4.62 118.68 119.68 1uay s LEU 237 Ca 0.00 2.64 -0.03 0.00 -0.22 0.00 0.00 54.13 56.52 1uay s LEU 237 Cb 0.00 -3.64 0.10 0.00 0.50 0.00 0.00 46.19 43.14 1uay s LEU 237 CO 0.00 -0.50 0.11 -0.13 -1.32 0.00 0.00 176.35 174.51 1uay s ARG 238 N -1.64 0.40 0.16 1.98 1.81 -1.26 -4.99 118.95 115.41 1uay s ARG 238 Ca 0.49 -0.69 -0.31 0.00 -1.72 0.00 0.00 55.73 53.49 1uay s ARG 238 Cb -0.39 -1.56 -0.11 0.00 -0.45 0.00 0.00 34.95 32.45 1uay s ARG 238 CO 0.51 -0.96 1.73 -1.64 -0.68 0.00 0.00 175.30 174.25 1uay s MET 239 N 1.91 4.15 0.82 3.54 -1.94 -1.26 -5.01 119.30 121.51 1uay s MET 239 Ca 0.08 2.54 -0.11 0.00 -1.71 0.00 0.00 55.69 56.49 1uay s MET 239 Cb -0.17 -3.31 0.12 0.00 2.01 0.00 0.00 34.83 33.48 1uay s MET 239 CO -0.29 -0.76 1.17 0.00 -0.01 0.00 0.00 175.02 175.13 1uay s ALA 240 N 1.84 2.73 0.32 3.03 0.00 -1.26 -4.84 121.76 123.57 1uay s ALA 240 Ca 0.76 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1uay s ALA 240 Cb -0.47 -2.74 0.70 0.00 0.00 0.00 0.00 23.12 20.61 1uay s ALA 240 CO 0.33 -1.80 1.84 -1.35 0.00 0.00 0.00 175.76 174.78 1uay h PRO 241 N -1.09 0.81 0.00 0.00 0.11 -1.92 -3.43 132.00 126.48 1uay h PRO 241 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1uay h PRO 241 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1uay h PRO 241 CO 0.54 0.53 0.00 0.54 -0.21 0.00 0.00 178.00 179.40