#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wds s SER 2 N 0.00 1.48 0.12 7.83 0.01 0.39 -4.91 113.70 118.62 2wds s SER 2 Ca 0.00 -1.31 -0.30 0.00 1.31 0.00 0.00 55.95 55.65 2wds s SER 2 Cb 0.00 0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.26 2wds s SER 2 CO 0.00 -0.64 1.15 -0.63 0.41 0.00 0.00 173.24 173.53 2wds s ILE 3 N -3.61 3.97 -0.22 1.44 1.01 -1.26 -1.08 121.20 121.45 2wds s ILE 3 Ca 0.33 1.54 0.10 0.00 0.00 0.00 0.00 60.65 62.62 2wds s ILE 3 Cb 0.07 -3.98 -0.20 0.00 0.01 0.00 0.00 42.46 38.35 2wds s ILE 3 CO 0.11 0.19 -0.07 -0.38 0.00 0.00 0.00 174.94 174.79 2wds n ILE 4 N 3.17 1.38 -3.51 2.92 5.41 0.64 -4.91 119.36 124.46 2wds n ILE 4 Ca 0.06 -0.70 -0.10 0.00 1.00 0.00 0.00 62.75 63.01 2wds n ILE 4 Cb 0.46 -0.91 -0.03 0.00 -0.71 0.00 0.00 39.64 38.46 2wds n ILE 4 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2wds s GLY 5 N -5.88 -0.46 0.06 7.39 0.00 -1.09 -5.00 107.32 102.35 2wds s GLY 5 Ca -0.21 1.17 0.06 0.00 0.00 0.00 0.00 44.72 45.75 2wds s GLY 5 CO 0.69 0.51 -0.17 0.54 0.00 0.00 0.00 173.10 174.67 2wds s VAL 6 N -2.63 1.33 0.02 1.40 0.11 -1.26 -0.97 120.40 118.40 2wds s VAL 6 Ca 0.02 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 2wds s VAL 6 Cb -0.01 -1.22 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 2wds s VAL 6 CO -0.06 -0.04 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.78 2wds s GLY 7 N -1.48 0.39 0.04 6.54 0.00 0.03 -3.69 107.32 109.15 2wds s GLY 7 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.28 2wds s GLY 7 CO 0.02 -0.51 -0.11 -1.50 0.00 0.00 0.00 173.10 171.00 2wds s ILE 8 N -0.76 0.89 -0.13 0.90 2.07 -1.26 -1.13 121.20 121.78 2wds s ILE 8 Ca -0.04 -0.97 -0.12 0.00 -1.41 0.00 0.00 60.65 58.11 2wds s ILE 8 Cb -0.06 -0.84 0.03 0.00 0.13 0.00 0.00 42.46 41.72 2wds s ILE 8 CO 0.00 -0.11 0.34 -0.62 -1.91 0.00 0.00 174.94 172.64 2wds s ASP 9 N -1.21 -0.35 -0.09 4.50 2.15 -0.73 -4.62 116.67 116.31 2wds s ASP 9 Ca -0.02 0.68 0.04 0.00 0.43 0.00 0.00 52.55 53.68 2wds s ASP 9 Cb -0.08 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 2wds s ASP 9 CO 0.01 -0.12 -0.22 0.68 -0.17 0.00 0.00 175.17 175.35 2wds s VAL 10 N 0.16 1.92 -0.10 1.11 -7.23 -1.26 -1.52 120.40 113.48 2wds s VAL 10 Ca -0.00 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2wds s VAL 10 Cb -0.02 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.27 2wds s VAL 10 CO 0.01 0.53 -0.17 0.00 -0.31 0.00 0.00 175.10 175.15 2wds s ALA 11 N 0.35 1.74 -0.12 1.32 0.00 0.50 -4.97 121.76 120.58 2wds s ALA 11 Ca -0.17 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 2wds s ALA 11 Cb -0.17 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2wds s ALA 11 CO 0.08 0.04 1.44 -2.00 0.00 0.00 0.00 175.76 175.32 2wds s GLU 12 N 0.77 4.19 0.09 0.00 2.12 -1.26 -0.55 118.70 124.06 2wds s GLU 12 Ca -0.11 1.87 -0.23 0.00 0.36 0.00 0.00 54.97 56.87 2wds s GLU 12 Cb -0.16 -3.87 -0.14 0.00 0.26 0.00 0.00 34.13 30.23 2wds s GLU 12 CO 0.02 -0.79 1.70 0.28 -0.54 0.00 0.00 175.26 175.93 2wds h VAL 13 N 5.56 1.05 -0.47 3.70 2.07 -1.48 -2.18 116.25 124.49 2wds h VAL 13 Ca -0.32 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2wds h VAL 13 Cb 1.14 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2wds h VAL 13 CO 0.97 0.04 0.26 -0.08 0.02 0.00 0.00 177.57 178.78 2wds h GLU 14 N 0.01 0.51 -0.83 1.57 4.22 -1.92 -0.41 114.58 117.73 2wds h GLU 14 Ca 0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 2wds h GLU 14 Cb 0.04 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2wds h GLU 14 CO -0.00 0.34 0.37 -0.09 -2.18 0.00 0.00 179.01 177.45 2wds h ARG 15 N 0.52 1.21 -0.25 1.92 2.43 -1.93 -1.02 114.38 117.26 2wds h ARG 15 Ca 0.19 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2wds h ARG 15 Cb 0.05 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2wds h ARG 15 CO -0.10 0.95 0.10 0.35 -1.51 0.00 0.00 179.97 179.76 2wds h PHE 16 N 1.19 0.38 -0.79 2.20 3.57 -0.72 -1.70 116.94 121.07 2wds h PHE 16 Ca 0.28 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2wds h PHE 16 Cb 0.16 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 2wds h PHE 16 CO 0.02 0.40 0.48 0.78 -2.23 0.00 0.00 178.31 177.75 2wds h GLY 17 N 0.25 1.18 1.10 2.40 0.00 -0.85 -1.96 103.07 105.19 2wds h GLY 17 Ca 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2wds h GLY 17 CO -0.01 0.23 0.43 0.00 0.00 0.00 0.00 176.54 177.20 2wds h ALA 18 N 1.38 1.19 -0.55 3.60 0.00 -0.95 -1.52 119.26 122.40 2wds h ALA 18 Ca 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2wds h ALA 18 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wds h ALA 18 CO -0.17 0.64 0.19 0.00 0.00 0.00 0.00 179.25 179.90 2wds h ALA 19 N 1.30 0.72 -0.75 0.00 0.00 -0.75 -1.08 119.26 118.69 2wds h ALA 19 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wds h ALA 19 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2wds h ALA 19 CO -0.04 0.37 0.33 -0.07 0.00 0.00 0.00 179.25 179.83 2wds h LEU 20 N 0.76 1.01 -0.44 0.00 3.38 -1.01 -2.90 115.31 116.11 2wds h LEU 20 Ca 0.18 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2wds h LEU 20 Cb 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wds h LEU 20 CO -0.01 0.88 -0.53 -0.08 0.09 0.00 0.00 178.44 178.79 2wds h GLU 21 N 1.08 0.69 -0.56 1.13 4.57 -1.03 -3.26 114.58 117.20 2wds h GLU 21 Ca 0.26 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.96 2wds h GLU 21 Cb 0.17 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2wds h GLU 21 CO -0.03 1.05 0.13 -0.09 -1.18 0.00 0.00 179.01 178.89 2wds h ARG 22 N 0.54 0.87 -4.05 1.92 2.43 -1.02 -3.39 114.38 111.67 2wds h ARG 22 Ca 0.02 -0.18 -0.62 0.00 -0.81 0.00 0.00 59.98 58.39 2wds h ARG 22 Cb 1.10 -0.13 -0.40 0.00 -0.42 0.00 0.00 29.97 30.12 2wds h ARG 22 CO 0.11 0.78 -0.74 0.99 -1.51 0.00 0.00 179.97 179.59 2wds s THR 23 N -5.22 1.48 0.39 0.20 2.01 -1.11 -5.01 115.64 108.37 2wds s THR 23 Ca -0.10 -1.78 0.18 0.00 0.31 0.00 0.00 61.69 60.29 2wds s THR 23 Cb 0.15 -2.09 0.38 0.00 0.01 0.00 0.00 72.50 70.96 2wds s THR 23 CO 0.81 -0.62 1.75 -0.65 -0.69 0.00 0.00 174.62 175.22 2wds h PRO 24 N 7.89 0.39 0.00 4.92 0.11 -1.77 -0.47 132.00 143.07 2wds h PRO 24 Ca -0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2wds h PRO 24 Cb 1.02 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wds h PRO 24 CO 0.49 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 2wds h ALA 25 N 1.64 1.00 -0.41 -0.75 0.00 -1.95 -3.35 119.26 115.45 2wds h ALA 25 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2wds h ALA 25 Cb 1.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2wds h ALA 25 CO -0.34 0.00 0.27 1.25 0.00 0.00 0.00 179.25 180.43 2wds h LEU 26 N 0.00 0.47 -0.80 0.00 5.85 -1.38 -2.50 115.31 116.94 2wds h LEU 26 Ca 0.00 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2wds h LEU 26 Cb 0.49 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2wds h LEU 26 CO 0.00 0.34 0.44 0.00 -0.34 0.00 0.00 178.44 178.88 2wds h ALA 27 N 1.15 1.14 0.00 1.25 0.00 -1.77 -0.78 119.26 120.25 2wds h ALA 27 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wds h ALA 27 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wds h ALA 27 CO -0.03 0.05 0.00 0.78 0.00 0.00 0.00 179.25 180.05 2wds h GLY 28 N 0.74 0.00 1.68 0.00 0.00 -1.72 -0.75 103.07 103.02 2wds h GLY 28 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.47 2wds h GLY 28 CO -0.26 0.00 -1.13 3.21 0.00 0.00 0.00 176.54 178.36 2wds h ARG 29 N 0.00 0.25 0.02 4.80 3.08 -0.74 -3.38 114.38 118.41 2wds h ARG 29 Ca 0.00 -0.38 -0.31 0.00 0.07 0.00 0.00 59.98 59.36 2wds h ARG 29 Cb 0.65 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 2wds h ARG 29 CO 0.00 1.15 -1.79 1.28 -1.07 0.00 0.00 179.97 179.54 2wds n LEU 30 N -3.56 1.09 -4.11 3.04 4.77 -0.72 -4.33 117.00 113.18 2wds n LEU 30 Ca -0.07 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 56.06 2wds n LEU 30 Cb 0.96 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.90 2wds n LEU 30 CO 0.52 0.46 -0.47 -0.36 -1.33 0.00 0.00 177.39 176.21 2wds s PHE 31 N -2.59 1.26 0.64 -1.77 0.08 -0.31 -4.40 117.98 110.89 2wds s PHE 31 Ca -0.08 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.58 2wds s PHE 31 Cb 0.08 -0.80 -0.01 0.00 -0.57 0.00 0.00 43.02 41.71 2wds s PHE 31 CO 0.82 -0.01 1.08 -0.51 -0.10 0.00 0.00 175.22 176.49 2wds s LEU 32 N -0.42 3.38 0.29 -0.37 1.43 -1.26 -4.51 118.68 117.22 2wds s LEU 32 Ca 0.05 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 2wds s LEU 32 Cb -0.06 -4.54 0.67 0.00 0.03 0.00 0.00 46.19 42.30 2wds s LEU 32 CO -0.00 -1.44 1.75 -0.33 0.23 0.00 0.00 176.35 176.55 2wds h GLU 33 N 0.05 0.58 -0.51 1.70 3.07 -1.96 -1.22 114.58 116.29 2wds h GLU 33 Ca -0.46 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 2wds h GLU 33 Cb 1.23 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 2wds h GLU 33 CO 0.56 0.39 0.29 0.66 -1.40 0.00 0.00 179.01 179.50 2wds h SER 34 N 0.60 0.62 0.78 1.42 4.64 -1.95 -2.43 113.55 117.23 2wds h SER 34 Ca 0.54 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.76 2wds h SER 34 Cb 0.88 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2wds h SER 34 CO -0.42 0.50 -0.26 -0.33 -0.87 0.00 0.00 176.83 175.45 2wds h GLU 35 N 0.71 0.00 -0.00 4.77 5.08 -1.50 -2.94 114.58 120.70 2wds h GLU 35 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2wds h GLU 35 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2wds h GLU 35 CO -0.03 0.26 -0.04 1.28 -1.00 0.00 0.00 179.01 179.48 2wds n LEU 36 N -3.51 0.20 -4.49 1.33 4.77 -0.91 -4.83 117.00 109.57 2wds n LEU 36 Ca -0.00 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 2wds n LEU 36 Cb 0.42 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.20 2wds n LEU 36 CO 0.34 0.04 -0.47 -0.76 -1.33 0.00 0.00 177.39 175.21 2wds s LEU 37 N -2.42 2.73 0.65 2.23 1.43 -1.11 -0.77 118.68 121.41 2wds s LEU 37 Ca 0.32 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 2wds s LEU 37 Cb 0.21 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2wds s LEU 37 CO 0.45 0.25 1.04 -0.76 0.23 0.00 0.00 176.35 177.56 2wds s LEU 38 N -1.54 3.16 0.38 1.79 1.43 0.53 -4.71 118.68 119.72 2wds s LEU 38 Ca 0.16 1.41 0.17 0.00 -1.03 0.00 0.00 54.13 54.84 2wds s LEU 38 Cb -0.11 -4.40 1.07 0.00 0.03 0.00 0.00 46.19 42.79 2wds s LEU 38 CO 0.07 -1.03 1.75 1.55 0.23 0.00 0.00 176.35 178.91 2wds h PRO 39 N -0.43 0.40 -0.01 1.29 0.13 -1.95 0.20 132.00 131.63 2wds h PRO 39 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wds h PRO 39 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2wds h PRO 39 CO 0.61 0.27 -0.09 0.41 -0.23 0.00 0.00 178.00 178.97 2wds n GLY 40 N -1.43 -0.78 0.00 1.56 0.00 -1.26 -4.94 105.19 98.34 2wds n GLY 40 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2wds n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wds n GLY 41 N 1.24 0.55 3.80 -0.02 0.00 0.06 -5.10 105.19 105.72 2wds n GLY 41 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2wds n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wds s GLU 42 N -0.63 1.98 0.09 1.61 8.01 -1.26 -4.71 118.70 123.79 2wds s GLU 42 Ca 0.00 0.60 -0.31 0.00 0.01 0.00 0.00 54.97 55.27 2wds s GLU 42 Cb 0.00 -1.91 -0.06 0.00 -4.31 0.00 0.00 34.13 27.85 2wds s GLU 42 CO 0.00 -1.68 1.23 1.03 0.01 0.00 0.00 175.26 175.85 2wds s ARG 43 N -5.17 4.42 0.29 1.61 1.81 -1.26 -0.35 118.95 120.30 2wds s ARG 43 Ca 0.61 1.84 -0.29 0.00 -1.72 0.00 0.00 55.73 56.16 2wds s ARG 43 Cb -0.14 -3.31 -0.10 0.00 -0.45 0.00 0.00 34.95 30.94 2wds s ARG 43 CO 0.54 -0.26 1.40 0.50 -0.68 0.00 0.00 175.30 176.80 2wds s ARG 44 N 0.88 4.28 0.84 3.54 3.52 0.05 -4.71 118.95 127.34 2wds s ARG 44 Ca 0.59 2.30 -0.12 0.00 -0.13 0.00 0.00 55.73 58.38 2wds s ARG 44 Cb -0.31 -3.08 0.09 0.00 -1.56 0.00 0.00 34.95 30.09 2wds s ARG 44 CO 0.30 -0.36 1.11 0.20 -0.81 0.00 0.00 175.30 175.75 2wds s GLY 45 N 0.03 1.61 0.15 8.12 0.00 -1.26 -4.85 107.32 111.12 2wds s GLY 45 Ca 0.55 -0.33 -0.15 0.00 0.00 0.00 0.00 44.72 44.79 2wds s GLY 45 CO 0.49 0.14 1.75 -2.08 0.00 0.00 0.00 173.10 173.39 2wds h VAL 46 N -1.22 1.18 -0.76 1.40 2.07 -1.98 -1.38 116.25 115.55 2wds h VAL 46 Ca -0.48 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2wds h VAL 46 Cb 1.29 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2wds h VAL 46 CO 0.61 0.19 0.33 0.00 0.02 0.00 0.00 177.57 178.71 2wds h ALA 47 N 1.09 0.99 -0.21 1.67 0.00 -1.94 0.18 119.26 121.04 2wds h ALA 47 Ca 0.16 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2wds h ALA 47 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2wds h ALA 47 CO -0.02 0.59 -0.43 1.03 0.00 0.00 0.00 179.25 180.42 2wds h SER 48 N 1.10 0.54 -0.42 0.00 0.87 -1.89 -1.28 113.55 112.47 2wds h SER 48 Ca 0.26 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2wds h SER 48 Cb 0.18 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2wds h SER 48 CO -0.03 0.91 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.92 2wds h LEU 49 N 0.41 0.93 -1.11 2.23 3.38 -0.94 -2.47 115.31 117.73 2wds h LEU 49 Ca 0.03 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2wds h LEU 49 Cb 0.93 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2wds h LEU 49 CO 0.08 1.10 0.38 0.00 0.09 0.00 0.00 178.44 180.09 2wds h ALA 50 N 0.97 1.32 -0.59 1.53 0.00 -0.31 0.19 119.26 122.37 2wds h ALA 50 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2wds h ALA 50 Cb 0.74 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2wds h ALA 50 CO 0.06 0.55 0.11 0.00 0.00 0.00 0.00 179.25 179.97 2wds h ALA 51 N 1.42 1.08 -0.28 0.00 0.00 -1.11 -0.24 119.26 120.14 2wds h ALA 51 Ca 0.25 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2wds h ALA 51 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wds h ALA 51 CO -0.04 0.60 -0.44 0.00 0.00 0.00 0.00 179.25 179.37 2wds h ARG 52 N 0.90 0.70 -0.24 0.00 3.08 -0.91 -0.69 114.38 117.21 2wds h ARG 52 Ca 0.19 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.87 2wds h ARG 52 Cb 0.37 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2wds h ARG 52 CO 0.01 1.00 0.13 0.35 -1.07 0.00 0.00 179.97 180.38 2wds h PHE 53 N 0.56 0.23 -1.00 3.04 3.57 -0.74 -1.15 116.94 121.45 2wds h PHE 53 Ca 0.04 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2wds h PHE 53 Cb 0.98 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 2wds h PHE 53 CO 0.05 0.13 0.65 0.00 -2.23 0.00 0.00 178.31 176.92 2wds h ALA 54 N 1.12 1.37 -0.73 2.41 0.00 -0.90 -0.68 119.26 121.86 2wds h ALA 54 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wds h ALA 54 Cb 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2wds h ALA 54 CO -0.06 0.50 0.34 0.00 0.00 0.00 0.00 179.25 180.03 2wds h ALA 55 N 1.44 0.94 -0.29 0.00 0.00 -0.65 0.67 119.26 121.36 2wds h ALA 55 Ca 0.41 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2wds h ALA 55 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2wds h ALA 55 CO -0.15 0.52 -0.34 0.87 0.00 0.00 0.00 179.25 180.15 2wds h LYS 56 N 1.02 0.65 -0.50 0.00 1.57 -0.62 0.87 116.57 119.56 2wds h LYS 56 Ca 0.25 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2wds h LYS 56 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2wds h LYS 56 CO -0.03 0.90 -0.18 1.49 -0.57 0.00 0.00 179.45 181.06 2wds h GLU 57 N 0.55 1.00 -0.68 3.15 4.81 -0.89 -1.22 114.58 121.30 2wds h GLU 57 Ca 0.06 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2wds h GLU 57 Cb 0.85 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 2wds h GLU 57 CO 0.07 1.09 0.25 0.00 -0.73 0.00 0.00 179.01 179.69 2wds h ALA 58 N 0.88 0.89 -0.35 2.92 0.00 -0.65 -0.52 119.26 122.43 2wds h ALA 58 Ca 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wds h ALA 58 Cb 0.76 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2wds h ALA 58 CO 0.06 0.53 0.22 1.25 0.00 0.00 0.00 179.25 181.32 2wds h LEU 59 N 0.98 0.38 -0.56 0.00 6.46 -0.73 -0.75 115.31 121.08 2wds h LEU 59 Ca 0.22 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.01 2wds h LEU 59 Cb 0.25 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 2wds h LEU 59 CO -0.01 0.28 0.31 0.00 -0.62 0.00 0.00 178.44 178.39 2wds h ALA 60 N 1.14 0.72 -0.89 1.25 0.00 -0.88 -2.13 119.26 118.46 2wds h ALA 60 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wds h ALA 60 Cb -0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2wds h ALA 60 CO -0.04 -0.00 0.59 0.87 0.00 0.00 0.00 179.25 180.67 2wds h LYS 61 N 0.61 1.15 0.00 0.00 1.57 -0.72 0.22 116.57 119.40 2wds h LYS 61 Ca 0.24 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2wds h LYS 61 Cb 0.09 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2wds h LYS 61 CO -0.13 0.76 -0.06 0.00 -0.57 0.00 0.00 179.45 179.45 2wds h ALA 62 N 1.34 1.52 -0.21 3.86 0.00 -0.52 -1.23 119.26 124.01 2wds h ALA 62 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wds h ALA 62 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wds h ALA 62 CO -0.08 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2wds n LEU 63 N -3.91 2.48 -0.20 0.00 4.77 -0.66 -4.19 117.00 115.29 2wds n LEU 63 Ca -0.03 -1.00 -0.03 0.00 -0.03 0.00 0.00 56.01 54.93 2wds n LEU 63 Cb 0.15 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2wds n LEU 63 CO 0.30 0.50 -0.02 0.61 -1.33 0.00 0.00 177.39 177.45 2wds n GLY 64 N 1.30 0.58 4.02 -0.72 0.00 -0.46 -4.47 105.19 105.44 2wds n GLY 64 Ca 0.17 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 2wds n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wds n ALA 65 N 1.05 -2.26 -1.44 4.61 0.00 0.68 -4.93 120.51 118.21 2wds n ALA 65 Ca -0.03 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 2wds n ALA 65 Cb 0.09 -2.00 0.08 0.00 0.00 0.00 0.00 19.45 17.62 2wds n ALA 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wds s PRO 66 N -6.97 2.41 0.66 0.00 0.04 -1.26 -5.01 135.00 124.87 2wds s PRO 66 Ca 0.39 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 2wds s PRO 66 Cb -0.22 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 2wds s PRO 66 CO 0.76 -1.47 1.25 0.00 0.04 0.00 0.00 177.00 177.59 2wds s ALA 67 N -3.02 2.34 0.00 8.56 0.00 -1.26 -3.93 121.76 124.45 2wds s ALA 67 Ca 0.60 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2wds s ALA 67 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2wds s ALA 67 CO 0.55 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2wds n GLY 68 N 0.67 0.68 3.74 0.00 0.00 -1.26 -5.05 105.19 103.97 2wds n GLY 68 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wds n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wds s LEU 69 N 0.00 4.48 -0.16 0.99 1.43 -1.25 -4.88 118.68 119.29 2wds s LEU 69 Ca 0.00 2.16 -0.08 0.00 -1.03 0.00 0.00 54.13 55.17 2wds s LEU 69 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 2wds s LEU 69 CO 0.00 -0.27 0.13 -0.76 0.23 0.00 0.00 176.35 175.68 2wds s LEU 70 N -0.42 4.26 0.33 1.79 1.43 -1.26 -4.99 118.68 119.83 2wds s LEU 70 Ca 0.50 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2wds s LEU 70 Cb -0.31 -2.07 0.65 0.00 0.03 0.00 0.00 46.19 44.50 2wds s LEU 70 CO 0.36 0.29 1.91 -0.50 0.23 0.00 0.00 176.35 178.64 2wds h TRP 71 N 5.89 0.92 0.00 0.29 4.06 -1.88 -1.19 115.95 124.04 2wds h TRP 71 Ca -0.47 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2wds h TRP 71 Cb 1.19 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 2wds h TRP 71 CO 0.66 0.45 0.00 0.25 -3.56 0.00 0.00 178.44 176.24 2wds n THR 72 N -4.51 0.12 0.78 1.49 -2.24 -1.26 -2.46 114.28 106.21 2wds n THR 72 Ca 0.14 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 2wds n THR 72 Cb 0.27 -0.62 0.29 0.00 -2.10 0.00 0.00 70.33 68.17 2wds n THR 72 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wds n ASP 73 N -1.17 2.52 -4.14 3.42 8.00 -0.45 -4.74 116.55 119.99 2wds n ASP 73 Ca 0.15 -1.86 -0.29 0.00 0.71 0.00 0.00 54.79 53.50 2wds n ASP 73 Cb 0.16 -0.18 -0.17 0.00 -0.02 0.00 0.00 41.12 40.91 2wds n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wds s ALA 74 N -1.64 1.77 -0.09 2.24 0.00 -1.03 -1.09 121.76 121.92 2wds s ALA 74 Ca 0.35 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.60 2wds s ALA 74 Cb 0.20 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2wds s ALA 74 CO 0.28 0.23 -0.16 -2.00 0.00 0.00 0.00 175.76 174.11 2wds s GLU 75 N 0.43 2.19 -0.33 0.00 2.12 0.21 -4.87 118.70 118.45 2wds s GLU 75 Ca -0.16 -0.57 -0.21 0.00 0.36 0.00 0.00 54.97 54.40 2wds s GLU 75 Cb -0.17 -1.80 -0.00 0.00 0.26 0.00 0.00 34.13 32.42 2wds s GLU 75 CO 0.06 0.01 0.65 0.08 -0.54 0.00 0.00 175.26 175.52 2wds s VAL 76 N 0.77 4.90 0.45 3.70 1.01 -1.26 -0.81 120.40 129.16 2wds s VAL 76 Ca -0.11 0.75 0.06 0.00 0.00 0.00 0.00 61.98 62.67 2wds s VAL 76 Cb -0.16 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2wds s VAL 76 CO 0.02 -0.24 0.17 -1.66 0.00 0.00 0.00 175.10 173.39 2wds s TRP 77 N 2.69 2.31 -0.08 5.22 1.48 -0.10 -4.71 118.94 125.76 2wds s TRP 77 Ca 0.25 -0.70 -0.00 0.00 -1.06 0.00 0.00 56.10 54.59 2wds s TRP 77 Cb -0.15 -1.88 0.02 0.00 -1.16 0.00 0.00 33.47 30.31 2wds s TRP 77 CO 0.13 0.11 -0.04 0.08 -4.06 0.00 0.00 176.95 173.18 2wds s VAL 78 N -2.69 0.65 0.81 -0.66 1.01 -1.26 -0.56 120.40 117.69 2wds s VAL 78 Ca 0.33 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 2wds s VAL 78 Cb 0.03 -0.71 0.08 0.00 0.00 0.00 0.00 36.38 35.78 2wds s VAL 78 CO 0.19 0.29 1.10 -1.61 0.00 0.00 0.00 175.10 175.07 2wds s GLU 79 N 1.53 1.95 0.29 2.72 2.02 -0.29 -4.89 118.70 122.04 2wds s GLU 79 Ca -0.01 1.24 0.04 0.00 0.02 0.00 0.00 54.97 56.26 2wds s GLU 79 Cb -0.13 -1.86 0.68 0.00 0.10 0.00 0.00 34.13 32.92 2wds s GLU 79 CO -0.04 -1.88 1.76 0.00 0.02 0.00 0.00 175.26 175.12 2wds h ALA 80 N -1.31 1.53 0.00 5.21 0.00 -2.01 0.41 119.26 123.09 2wds h ALA 80 Ca -0.44 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wds h ALA 80 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2wds h ALA 80 CO 0.49 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2wds n GLY 81 N -1.33 -0.99 0.00 0.00 0.00 -1.26 -4.86 105.19 96.76 2wds n GLY 81 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2wds n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wds n GLY 82 N -0.47 0.70 3.71 -0.02 0.00 0.13 -5.08 105.19 104.16 2wds n GLY 82 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2wds n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wds s ARG 83 N -0.54 4.29 0.40 1.61 3.52 -1.25 -4.71 118.95 122.26 2wds s ARG 83 Ca 0.00 2.11 -0.23 0.00 -0.13 0.00 0.00 55.73 57.48 2wds s ARG 83 Cb 0.00 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 2wds s ARG 83 CO 0.00 -0.52 1.01 -1.25 -0.81 0.00 0.00 175.30 173.73 2wds s PRO 84 N 1.61 4.20 0.02 5.12 0.04 -1.26 -1.13 135.00 143.59 2wds s PRO 84 Ca 0.66 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 63.09 2wds s PRO 84 Cb -0.37 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2wds s PRO 84 CO 0.30 -0.09 -0.03 1.03 0.04 0.00 0.00 177.00 178.25 2wds s ARG 85 N -2.63 0.34 -0.15 4.56 1.81 0.27 -4.74 118.95 118.40 2wds s ARG 85 Ca 0.58 -0.66 -0.06 0.00 -1.72 0.00 0.00 55.73 53.87 2wds s ARG 85 Cb -0.18 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 2wds s ARG 85 CO 0.23 -0.06 0.04 -0.51 -0.68 0.00 0.00 175.30 174.33 2wds s LEU 86 N -1.59 3.73 -0.10 2.53 1.43 -1.26 -0.93 118.68 122.50 2wds s LEU 86 Ca -0.14 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2wds s LEU 86 Cb -0.08 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2wds s LEU 86 CO -0.02 0.23 -0.21 -0.60 0.23 0.00 0.00 176.35 175.99 2wds s ARG 87 N 0.01 2.72 0.01 1.70 3.52 0.01 -4.93 118.95 122.00 2wds s ARG 87 Ca 0.05 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 54.95 2wds s ARG 87 Cb -0.12 -2.11 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 2wds s ARG 87 CO 0.01 0.11 -0.20 0.14 -0.81 0.00 0.00 175.30 174.56 2wds s VAL 88 N 0.50 2.64 0.25 7.11 -7.23 -1.26 -0.62 120.40 121.78 2wds s VAL 88 Ca -0.16 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2wds s VAL 88 Cb -0.17 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2wds s VAL 88 CO 0.06 0.44 0.16 0.42 -0.31 0.00 0.00 175.10 175.87 2wds s THR 89 N -0.81 0.12 0.00 5.32 -4.23 -0.25 -4.64 115.64 111.15 2wds s THR 89 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2wds s THR 89 Cb -0.10 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2wds s THR 89 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2wds n GLY 90 N -0.42 3.25 0.34 3.99 0.00 -1.26 -1.76 105.19 109.34 2wds n GLY 90 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 2wds n GLY 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wds h THR 91 N 0.00 1.25 -0.16 2.61 1.35 -1.89 0.41 112.91 116.48 2wds h THR 91 Ca 0.00 -0.74 -0.14 0.00 -0.55 0.00 0.00 66.41 64.98 2wds h THR 91 Cb 0.00 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 2wds h THR 91 CO 0.00 0.31 -0.46 0.58 -0.25 0.00 0.00 175.52 175.70 2wds h VAL 92 N 1.13 1.34 -0.61 6.82 2.07 -1.64 -1.75 116.25 123.60 2wds h VAL 92 Ca 0.27 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 2wds h VAL 92 Cb 0.15 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2wds h VAL 92 CO -0.03 0.53 0.23 0.00 0.02 0.00 0.00 177.57 178.32 2wds h ALA 93 N 0.55 1.26 -0.44 1.67 0.00 -1.11 -0.38 119.26 120.80 2wds h ALA 93 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2wds h ALA 93 Cb 1.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2wds h ALA 93 CO 0.10 0.54 0.14 0.00 0.00 0.00 0.00 179.25 180.03 2wds h ALA 94 N 1.37 0.58 -0.51 0.00 0.00 -0.78 -0.41 119.26 119.52 2wds h ALA 94 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2wds h ALA 94 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wds h ALA 94 CO -0.02 0.22 0.02 -0.09 0.00 0.00 0.00 179.25 179.39 2wds h ARG 95 N 0.58 0.88 -0.91 0.00 9.65 -1.07 -1.64 114.38 121.87 2wds h ARG 95 Ca 0.14 -0.27 0.08 0.00 -1.10 0.00 0.00 59.98 58.83 2wds h ARG 95 Cb 0.26 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 28.68 2wds h ARG 95 CO -0.01 0.90 0.57 0.00 2.80 0.00 0.00 179.97 184.23 2wds h ALA 96 N 0.95 1.28 -0.49 2.80 0.00 -0.88 -1.99 119.26 120.94 2wds h ALA 96 Ca 0.15 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2wds h ALA 96 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wds h ALA 96 CO 0.02 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.49 2wds h ALA 97 N 1.44 0.97 -0.70 0.00 0.00 -0.67 -0.33 119.26 119.96 2wds h ALA 97 Ca 0.41 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2wds h ALA 97 Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2wds h ALA 97 CO -0.20 0.62 0.46 1.49 0.00 0.00 0.00 179.25 181.62 2wds h GLU 98 N 0.78 0.65 -0.00 0.00 4.81 -0.56 -2.21 114.58 118.05 2wds h GLU 98 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2wds h GLU 98 Cb 0.56 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2wds h GLU 98 CO 0.03 0.43 -0.57 1.28 -0.73 0.00 0.00 179.01 179.46 2wds n LEU 99 N -4.48 0.84 0.00 1.64 4.77 -0.91 -4.98 117.00 113.88 2wds n LEU 99 Ca 0.11 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2wds n LEU 99 Cb 0.27 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2wds n LEU 99 CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2wds n GLY 100 N 1.46 0.60 3.68 -0.72 0.00 -0.31 -5.01 105.19 104.89 2wds n GLY 100 Ca 0.07 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2wds n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wds s VAL 101 N -2.00 4.27 -0.15 1.61 1.01 -0.29 -4.32 120.40 120.53 2wds s VAL 101 Ca 0.00 1.58 0.13 0.00 0.00 0.00 0.00 61.98 63.69 2wds s VAL 101 Cb 0.00 -4.02 -0.18 0.00 0.00 0.00 0.00 36.38 32.18 2wds s VAL 101 CO 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 175.10 175.10 2wds n ALA 102 N 5.60 1.62 -2.80 5.51 0.00 0.58 -4.69 120.51 126.34 2wds n ALA 102 Ca 0.12 -1.00 -0.15 0.00 0.00 0.00 0.00 53.44 52.41 2wds n ALA 102 Cb 0.46 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.70 2wds n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wds s SER 103 N -4.96 0.48 -0.03 0.00 0.15 -0.44 -5.02 113.70 103.89 2wds s SER 103 Ca -0.09 -0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.52 2wds s SER 103 Cb 0.05 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 2wds s SER 103 CO 0.62 0.02 -0.25 0.26 1.20 0.00 0.00 173.24 175.09 2wds s TRP 104 N -0.22 2.23 -0.04 3.44 0.52 -1.26 -1.25 118.94 122.36 2wds s TRP 104 Ca 0.00 -0.47 0.02 0.00 0.02 0.00 0.00 56.10 55.68 2wds s TRP 104 Cb -0.02 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 2wds s TRP 104 CO -0.00 -0.07 -0.09 -1.01 0.02 0.00 0.00 176.95 175.80 2wds s HIS 105 N -0.50 1.10 0.03 -1.98 3.76 -0.38 -4.83 115.29 112.48 2wds s HIS 105 Ca 0.07 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 2wds s HIS 105 Cb -0.10 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.75 2wds s HIS 105 CO -0.00 -0.18 -0.05 0.54 -0.85 0.00 0.00 174.74 174.20 2wds s VAL 106 N 0.49 0.30 0.00 -0.90 0.11 -1.26 -0.88 120.40 118.26 2wds s VAL 106 Ca -0.09 -0.94 -0.04 0.00 -2.93 0.00 0.00 61.98 57.98 2wds s VAL 106 Cb -0.12 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2wds s VAL 106 CO 0.02 -0.42 0.08 -0.55 -3.33 0.00 0.00 175.10 170.90 2wds s SER 107 N -1.43 0.08 0.08 3.54 0.15 -0.77 -4.87 113.70 110.49 2wds s SER 107 Ca -0.12 -0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.34 2wds s SER 107 Cb -0.09 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.35 2wds s SER 107 CO -0.00 -0.31 -0.19 -0.76 1.20 0.00 0.00 173.24 173.18 2wds s LEU 108 N -1.24 2.27 -0.17 3.45 1.43 -1.26 -1.84 118.68 121.32 2wds s LEU 108 Ca -0.13 -0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 52.11 2wds s LEU 108 Cb -0.08 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.41 2wds s LEU 108 CO 0.01 0.04 0.59 -0.55 0.23 0.00 0.00 176.35 176.67 2wds s SER 109 N -1.74 -0.60 -0.01 2.29 0.15 -0.48 -5.00 113.70 108.31 2wds s SER 109 Ca 0.04 1.02 0.01 0.00 0.70 0.00 0.00 55.95 57.72 2wds s SER 109 Cb -0.10 1.02 0.01 0.00 -1.71 0.00 0.00 66.02 65.24 2wds s SER 109 CO 0.03 -0.31 -0.01 0.00 1.20 0.00 0.00 173.24 174.16 2wds s ALA 110 N -0.12 0.23 -0.05 5.45 0.00 -1.26 0.60 121.76 126.62 2wds s ALA 110 Ca -0.03 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 2wds s ALA 110 Cb -0.03 -0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.02 2wds s ALA 110 CO 0.03 -0.01 1.13 0.34 0.00 0.00 0.00 175.76 177.25 2wds s ASP 111 N 0.48 -0.17 -1.41 0.00 2.15 -0.42 -5.00 116.67 112.30 2wds s ASP 111 Ca -0.05 -0.10 -0.09 0.00 0.43 0.00 0.00 52.55 52.74 2wds s ASP 111 Cb -0.07 0.25 0.06 0.00 -0.30 0.00 0.00 42.92 42.85 2wds s ASP 111 CO -0.01 -0.43 0.64 0.00 -0.17 0.00 0.00 175.17 175.19 2wds n ALA 112 N -0.29 -1.09 -0.99 3.66 0.00 -1.26 -1.15 120.51 119.39 2wds n ALA 112 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2wds n ALA 112 Cb 0.61 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.57 2wds n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wds n GLY 113 N -1.39 0.82 3.34 0.00 0.00 -1.26 -5.02 105.19 101.68 2wds n GLY 113 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2wds n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wds s ILE 114 N -3.26 1.94 0.05 -0.61 -4.36 -0.30 -1.17 121.20 113.49 2wds s ILE 114 Ca 0.00 -1.82 0.08 0.00 -0.26 0.00 0.00 60.65 58.65 2wds s ILE 114 Cb 0.00 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 2wds s ILE 114 CO 0.00 -0.16 -0.20 0.00 0.24 0.00 0.00 174.94 174.82 2wds s ALA 115 N -1.62 2.52 0.05 2.27 0.00 0.29 -1.30 121.76 123.97 2wds s ALA 115 Ca 0.14 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2wds s ALA 115 Cb -0.08 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 2wds s ALA 115 CO 0.07 0.56 -0.04 -1.54 0.00 0.00 0.00 175.76 174.81 2wds s SER 116 N -1.48 0.59 -0.05 0.00 1.04 0.20 -0.37 113.70 113.64 2wds s SER 116 Ca 0.14 -0.80 -0.11 0.00 0.48 0.00 0.00 55.95 55.67 2wds s SER 116 Cb -0.10 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.17 2wds s SER 116 CO 0.05 -0.44 0.25 0.00 0.98 0.00 0.00 173.24 174.08 2wds s ALA 117 N -2.83 -0.61 -0.02 5.32 0.00 -0.58 -1.39 121.76 121.65 2wds s ALA 117 Ca -0.01 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.40 2wds s ALA 117 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2wds s ALA 117 CO -0.05 -0.19 -0.22 0.08 0.00 0.00 0.00 175.76 175.38 2wds s VAL 118 N -0.73 1.75 -0.04 0.00 1.01 -0.77 -1.77 120.40 119.86 2wds s VAL 118 Ca -0.08 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2wds s VAL 118 Cb -0.04 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2wds s VAL 118 CO 0.02 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 2wds s VAL 119 N -0.46 0.79 -0.09 2.92 1.01 -0.29 -1.85 120.40 122.43 2wds s VAL 119 Ca 0.07 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2wds s VAL 119 Cb -0.09 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2wds s VAL 119 CO -0.00 0.26 -0.24 -0.63 0.00 0.00 0.00 175.10 174.49 2wds s ILE 120 N 0.53 2.05 -0.16 2.22 1.01 -0.06 -0.79 121.20 125.99 2wds s ILE 120 Ca -0.09 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 2wds s ILE 120 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2wds s ILE 120 CO 0.01 0.56 0.07 0.00 0.00 0.00 0.00 174.94 175.58 2wds s ALA 121 N 0.27 3.46 0.04 9.38 0.00 -0.15 -1.25 121.76 133.51 2wds s ALA 121 Ca -0.17 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2wds s ALA 121 Cb -0.17 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2wds s ALA 121 CO 0.08 0.28 -0.11 -2.00 0.00 0.00 0.00 175.76 174.01 2wds s GLU 122 N 0.04 0.72 0.00 0.00 2.12 -0.38 -0.26 118.70 120.94 2wds s GLU 122 Ca 0.06 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.63 2wds s GLU 122 Cb -0.12 -0.64 0.00 0.00 0.26 0.00 0.00 34.13 33.63 2wds s GLU 122 CO 0.01 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.28