#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdy n SER 2 N 0.00 -0.94 -4.72 7.83 3.41 0.22 -4.92 113.62 114.51 2wdy n SER 2 Ca 0.00 -2.72 -0.42 0.00 -0.26 0.00 0.00 58.87 55.47 2wdy n SER 2 Cb 0.00 1.87 -0.03 0.00 -0.26 0.00 0.00 64.21 65.78 2wdy n SER 2 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wdy s ILE 3 N -2.92 4.25 -0.22 -1.33 1.01 -1.26 -1.10 121.20 119.64 2wdy s ILE 3 Ca 0.29 1.68 0.07 0.00 0.00 0.00 0.00 60.65 62.68 2wdy s ILE 3 Cb 0.00 -4.07 -0.20 0.00 0.01 0.00 0.00 42.46 38.19 2wdy s ILE 3 CO 0.20 0.16 -0.06 -0.38 0.00 0.00 0.00 174.94 174.87 2wdy n ILE 4 N 3.60 1.48 -3.50 2.92 2.08 0.59 -4.92 119.36 121.62 2wdy n ILE 4 Ca 0.07 -0.68 -0.10 0.00 0.56 0.00 0.00 62.75 62.60 2wdy n ILE 4 Cb 0.48 -1.12 -0.03 0.00 -0.75 0.00 0.00 39.64 38.22 2wdy n ILE 4 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2wdy s GLY 5 N -6.07 -0.47 0.04 7.39 0.00 -1.07 -4.99 107.32 102.15 2wdy s GLY 5 Ca -0.25 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.66 2wdy s GLY 5 CO 0.69 0.49 -0.15 0.54 0.00 0.00 0.00 173.10 174.68 2wdy s VAL 6 N -2.67 1.17 0.02 1.40 0.11 -1.26 -0.83 120.40 118.33 2wdy s VAL 6 Ca 0.01 -1.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 2wdy s VAL 6 Cb -0.01 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 2wdy s VAL 6 CO -0.06 -0.01 -0.08 -0.83 -3.33 0.00 0.00 175.10 170.79 2wdy s GLY 7 N -1.23 0.45 0.05 6.54 0.00 -0.02 -3.78 107.32 109.33 2wdy s GLY 7 Ca 0.02 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.26 2wdy s GLY 7 CO 0.01 -0.52 -0.15 -1.50 0.00 0.00 0.00 173.10 170.95 2wdy s ILE 8 N -0.68 1.21 -0.12 0.90 2.07 -1.26 -1.09 121.20 122.23 2wdy s ILE 8 Ca -0.02 -1.11 -0.14 0.00 -1.41 0.00 0.00 60.65 57.96 2wdy s ILE 8 Cb -0.06 -1.10 0.04 0.00 0.13 0.00 0.00 42.46 41.46 2wdy s ILE 8 CO 0.00 -0.02 0.39 -0.62 -1.91 0.00 0.00 174.94 172.78 2wdy s ASP 9 N -1.31 -0.38 -0.08 4.50 2.15 -0.72 -4.63 116.67 116.20 2wdy s ASP 9 Ca 0.02 0.68 0.03 0.00 0.43 0.00 0.00 52.55 53.71 2wdy s ASP 9 Cb -0.08 0.72 0.01 0.00 -0.30 0.00 0.00 42.92 43.26 2wdy s ASP 9 CO 0.02 -0.20 -0.19 -0.69 -0.17 0.00 0.00 175.17 173.94 2wdy s VAL 10 N -0.06 1.65 -0.05 1.11 1.01 -1.26 -1.53 120.40 121.27 2wdy s VAL 10 Ca -0.02 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2wdy s VAL 10 Cb -0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2wdy s VAL 10 CO 0.01 0.47 -0.23 0.00 0.00 0.00 0.00 175.10 175.35 2wdy s ALA 11 N 0.46 2.00 -0.34 5.51 0.00 0.90 -4.97 121.76 125.32 2wdy s ALA 11 Ca -0.16 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 2wdy s ALA 11 Cb -0.17 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2wdy s ALA 11 CO 0.06 0.41 1.12 -2.00 0.00 0.00 0.00 175.76 175.35 2wdy s GLU 12 N -0.22 4.00 0.19 0.00 2.12 -1.26 -0.42 118.70 123.10 2wdy s GLU 12 Ca -0.00 1.03 -0.12 0.00 0.36 0.00 0.00 54.97 56.23 2wdy s GLU 12 Cb -0.12 -3.78 0.19 0.00 0.26 0.00 0.00 34.13 30.68 2wdy s GLU 12 CO 0.02 -1.00 1.77 0.28 -0.54 0.00 0.00 175.26 175.79 2wdy h VAL 13 N 5.83 0.87 -0.54 3.70 2.07 -1.47 -1.51 116.25 125.21 2wdy h VAL 13 Ca -0.22 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2wdy h VAL 13 Cb 1.07 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2wdy h VAL 13 CO 1.05 0.08 0.18 -0.08 0.02 0.00 0.00 177.57 178.82 2wdy h GLU 14 N 0.45 0.82 -0.82 1.57 4.81 -1.93 -0.73 114.58 118.76 2wdy h GLU 14 Ca 0.26 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2wdy h GLU 14 Cb 0.24 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 2wdy h GLU 14 CO -0.22 0.75 0.40 -0.09 -0.73 0.00 0.00 179.01 179.11 2wdy h ARG 15 N 0.74 1.17 -0.38 1.92 2.43 -1.87 -1.50 114.38 116.88 2wdy h ARG 15 Ca 0.17 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2wdy h ARG 15 Cb 0.26 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2wdy h ARG 15 CO -0.01 0.90 -0.08 0.35 -1.51 0.00 0.00 179.97 179.63 2wdy h PHE 16 N 1.15 0.81 -0.70 2.20 3.57 -0.90 -1.95 116.94 121.13 2wdy h PHE 16 Ca 0.28 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2wdy h PHE 16 Cb 0.11 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2wdy h PHE 16 CO 0.01 0.86 0.36 0.78 -2.23 0.00 0.00 178.31 178.09 2wdy h GLY 17 N 0.54 1.06 1.16 2.40 0.00 -0.98 -2.04 103.07 105.21 2wdy h GLY 17 Ca 0.10 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2wdy h GLY 17 CO 0.03 0.48 0.52 0.00 0.00 0.00 0.00 176.54 177.57 2wdy h ALA 18 N 1.18 1.34 -0.51 3.60 0.00 -1.14 -1.51 119.26 122.23 2wdy h ALA 18 Ca 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2wdy h ALA 18 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2wdy h ALA 18 CO -0.04 0.58 0.07 0.00 0.00 0.00 0.00 179.25 179.86 2wdy h ALA 19 N 1.43 0.68 -0.72 0.00 0.00 -0.82 -0.86 119.26 118.97 2wdy h ALA 19 Ca 0.30 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wdy h ALA 19 Cb -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2wdy h ALA 19 CO -0.06 0.42 0.28 -0.07 0.00 0.00 0.00 179.25 179.82 2wdy h LEU 20 N 0.73 1.00 -0.54 0.00 3.38 -1.01 -2.91 115.31 115.97 2wdy h LEU 20 Ca 0.15 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2wdy h LEU 20 Cb 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wdy h LEU 20 CO 0.01 0.91 -0.35 -0.33 0.09 0.00 0.00 178.44 178.77 2wdy h GLU 21 N 1.04 0.80 -0.66 1.13 4.39 -1.09 -3.23 114.58 116.96 2wdy h GLU 21 Ca 0.24 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 2wdy h GLU 21 Cb 0.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2wdy h GLU 21 CO -0.02 1.02 0.18 -0.09 -1.16 0.00 0.00 179.01 178.95 2wdy h ARG 22 N 0.66 1.04 -4.40 2.33 2.43 -1.03 -3.39 114.38 112.02 2wdy h ARG 22 Ca 0.06 -0.24 -0.64 0.00 -0.81 0.00 0.00 59.98 58.36 2wdy h ARG 22 Cb 0.90 -0.14 -0.40 0.00 -0.42 0.00 0.00 29.97 29.92 2wdy h ARG 22 CO 0.08 0.92 -0.74 0.99 -1.51 0.00 0.00 179.97 179.71 2wdy s THR 23 N -5.36 1.88 0.38 0.20 2.01 -1.11 -5.01 115.64 108.63 2wdy s THR 23 Ca -0.12 -1.99 0.15 0.00 0.31 0.00 0.00 61.69 60.04 2wdy s THR 23 Cb 0.14 -2.35 0.37 0.00 0.01 0.00 0.00 72.50 70.67 2wdy s THR 23 CO 0.83 -0.54 1.79 -0.65 -0.69 0.00 0.00 174.62 175.36 2wdy h PRO 24 N 7.76 0.47 0.00 4.92 0.11 -1.77 -1.16 132.00 142.33 2wdy h PRO 24 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2wdy h PRO 24 Cb 1.02 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2wdy h PRO 24 CO 0.50 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 2wdy n ALA 25 N -2.45 1.63 -0.10 -0.75 0.00 -1.26 -3.95 120.51 113.63 2wdy n ALA 25 Ca 0.24 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 2wdy n ALA 25 Cb 0.77 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 2wdy n ALA 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdy h LEU 26 N 0.00 0.53 -0.72 0.00 5.85 -1.51 -2.81 115.31 116.65 2wdy h LEU 26 Ca 0.00 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.52 2wdy h LEU 26 Cb 0.35 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 2wdy h LEU 26 CO 0.00 0.70 0.34 0.00 -0.34 0.00 0.00 178.44 179.14 2wdy h ALA 27 N 0.85 1.01 0.00 1.25 0.00 -1.78 -0.98 119.26 119.61 2wdy h ALA 27 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wdy h ALA 27 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wdy h ALA 27 CO 0.01 -0.09 0.00 0.78 0.00 0.00 0.00 179.25 179.96 2wdy h GLY 28 N 0.56 0.00 1.92 0.00 0.00 -1.76 -0.10 103.07 103.69 2wdy h GLY 28 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.48 2wdy h GLY 28 CO -0.30 0.00 -1.06 3.21 0.00 0.00 0.00 176.54 178.39 2wdy h ARG 29 N 0.00 0.03 0.02 4.80 3.08 -0.95 -3.37 114.38 117.99 2wdy h ARG 29 Ca 0.00 -0.06 -0.32 0.00 0.07 0.00 0.00 59.98 59.68 2wdy h ARG 29 Cb 0.58 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 2wdy h ARG 29 CO 0.00 1.01 -1.88 1.28 -1.07 0.00 0.00 179.97 179.31 2wdy n LEU 30 N -3.36 1.00 -4.15 3.04 4.77 -0.74 -4.34 117.00 113.22 2wdy n LEU 30 Ca -0.02 0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 2wdy n LEU 30 Cb 0.95 0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.93 2wdy n LEU 30 CO 0.48 0.48 -0.49 -0.36 -1.33 0.00 0.00 177.39 176.16 2wdy s PHE 31 N -2.57 1.46 0.64 -1.77 0.08 -0.09 -4.39 117.98 111.34 2wdy s PHE 31 Ca -0.09 -0.28 -0.15 0.00 0.12 0.00 0.00 56.93 56.53 2wdy s PHE 31 Cb 0.07 -0.93 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 2wdy s PHE 31 CO 0.81 -0.02 1.09 -0.51 -0.10 0.00 0.00 175.22 176.49 2wdy s LEU 32 N -0.43 3.42 0.30 -0.37 1.43 -1.26 -4.51 118.68 117.26 2wdy s LEU 32 Ca 0.06 1.92 0.06 0.00 -1.03 0.00 0.00 54.13 55.14 2wdy s LEU 32 Cb -0.06 -4.54 0.75 0.00 0.03 0.00 0.00 46.19 42.36 2wdy s LEU 32 CO -0.00 -1.45 1.76 -0.33 0.23 0.00 0.00 176.35 176.55 2wdy h GLU 33 N 0.17 0.66 -0.37 1.70 3.07 -1.96 -0.93 114.58 116.91 2wdy h GLU 33 Ca -0.47 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.33 2wdy h GLU 33 Cb 1.24 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 2wdy h GLU 33 CO 0.55 0.44 0.12 0.66 -1.40 0.00 0.00 179.01 179.38 2wdy h SER 34 N 0.68 0.49 1.05 1.42 4.64 -1.95 -2.45 113.55 117.43 2wdy h SER 34 Ca 0.58 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.81 2wdy h SER 34 Cb 0.96 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2wdy h SER 34 CO -0.41 0.47 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.51 2wdy h GLU 35 N 0.53 0.00 -0.00 4.77 5.08 -1.45 -3.06 114.58 120.45 2wdy h GLU 35 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wdy h GLU 35 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wdy h GLU 35 CO -0.01 0.18 -0.08 1.28 -1.00 0.00 0.00 179.01 179.38 2wdy n LEU 36 N -3.30 0.41 -4.47 1.33 4.77 -0.92 -4.83 117.00 109.99 2wdy n LEU 36 Ca 0.01 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 2wdy n LEU 36 Cb 0.43 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2wdy n LEU 36 CO 0.32 0.07 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.20 2wdy s LEU 37 N -2.43 2.63 0.58 2.23 1.43 -1.16 -0.60 118.68 121.36 2wdy s LEU 37 Ca 0.31 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2wdy s LEU 37 Cb 0.20 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2wdy s LEU 37 CO 0.46 0.22 0.97 -0.76 0.23 0.00 0.00 176.35 177.47 2wdy s LEU 38 N -1.79 3.36 0.37 1.79 1.43 0.82 -4.70 118.68 119.95 2wdy s LEU 38 Ca 0.16 1.34 0.18 0.00 -1.03 0.00 0.00 54.13 54.78 2wdy s LEU 38 Cb -0.10 -4.36 1.14 0.00 0.03 0.00 0.00 46.19 42.90 2wdy s LEU 38 CO 0.08 -0.78 1.68 1.55 0.23 0.00 0.00 176.35 179.11 2wdy h PRO 39 N -0.06 0.30 0.00 1.29 0.13 -1.95 -0.00 132.00 131.71 2wdy h PRO 39 Ca -0.45 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2wdy h PRO 39 Cb 1.19 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2wdy h PRO 39 CO 0.62 0.20 -0.38 0.78 -0.23 0.00 0.00 178.00 178.99 2wdy h GLY 40 N 0.31 0.00 0.00 1.56 0.00 -2.04 -3.47 103.07 99.44 2wdy h GLY 40 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 2wdy h GLY 40 CO -0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.66 2wdy n GLY 41 N 0.15 1.65 3.77 4.60 0.00 -0.02 -5.12 105.19 110.22 2wdy n GLY 41 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wdy n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdy s GLU 42 N 0.00 2.49 0.07 1.61 2.02 -1.26 -4.72 118.70 118.92 2wdy s GLU 42 Ca 0.00 1.25 -0.31 0.00 0.02 0.00 0.00 54.97 55.93 2wdy s GLU 42 Cb 0.00 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.25 2wdy s GLU 42 CO 0.00 -1.47 1.27 1.03 0.02 0.00 0.00 175.26 176.10 2wdy s ARG 43 N -4.60 4.39 0.33 1.61 1.81 -1.26 -0.13 118.95 121.10 2wdy s ARG 43 Ca 0.63 1.87 -0.29 0.00 -1.72 0.00 0.00 55.73 56.23 2wdy s ARG 43 Cb -0.18 -3.33 -0.11 0.00 -0.45 0.00 0.00 34.95 30.88 2wdy s ARG 43 CO 0.50 -0.33 1.41 0.50 -0.68 0.00 0.00 175.30 176.70 2wdy s ARG 44 N 1.16 4.24 0.85 3.54 3.52 0.23 -4.73 118.95 127.76 2wdy s ARG 44 Ca 0.61 2.37 -0.12 0.00 -0.13 0.00 0.00 55.73 58.46 2wdy s ARG 44 Cb -0.32 -3.04 0.10 0.00 -1.56 0.00 0.00 34.95 30.13 2wdy s ARG 44 CO 0.29 -0.37 1.14 0.20 -0.81 0.00 0.00 175.30 175.75 2wdy s GLY 45 N -0.16 1.59 0.13 8.12 0.00 -1.26 -4.86 107.32 110.88 2wdy s GLY 45 Ca 0.53 -0.51 -0.15 0.00 0.00 0.00 0.00 44.72 44.59 2wdy s GLY 45 CO 0.54 -0.00 1.61 -2.08 0.00 0.00 0.00 173.10 173.17 2wdy h VAL 46 N -1.25 1.24 -0.80 1.40 2.07 -1.97 -1.37 116.25 115.57 2wdy h VAL 46 Ca -0.48 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 2wdy h VAL 46 Cb 1.32 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 2wdy h VAL 46 CO 0.63 0.30 0.42 0.00 0.02 0.00 0.00 177.57 178.94 2wdy h ALA 47 N 0.93 1.03 -0.39 1.67 0.00 -1.94 0.11 119.26 120.66 2wdy h ALA 47 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2wdy h ALA 47 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wdy h ALA 47 CO 0.01 0.56 -0.26 1.03 0.00 0.00 0.00 179.25 180.58 2wdy h SER 48 N 1.12 0.85 -0.45 0.00 0.87 -1.90 -1.62 113.55 112.42 2wdy h SER 48 Ca 0.28 -0.33 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 2wdy h SER 48 Cb 0.07 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2wdy h SER 48 CO -0.04 1.06 -0.16 -0.07 -0.53 0.00 0.00 176.83 177.10 2wdy h LEU 49 N 0.71 0.95 -1.09 2.23 3.38 -0.97 -2.27 115.31 118.25 2wdy h LEU 49 Ca 0.09 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2wdy h LEU 49 Cb 0.80 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2wdy h LEU 49 CO 0.07 1.09 0.36 0.00 0.09 0.00 0.00 178.44 180.05 2wdy h ALA 50 N 0.98 1.30 -0.44 1.53 0.00 -0.53 0.26 119.26 122.35 2wdy h ALA 50 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2wdy h ALA 50 Cb 0.71 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2wdy h ALA 50 CO 0.05 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 2wdy h ALA 51 N 1.40 1.00 -0.55 0.00 0.00 -1.13 -0.56 119.26 119.41 2wdy h ALA 51 Ca 0.25 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2wdy h ALA 51 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wdy h ALA 51 CO -0.03 0.60 -0.09 0.00 0.00 0.00 0.00 179.25 179.72 2wdy h ARG 52 N 0.72 1.04 -0.44 0.00 3.08 -0.77 -0.86 114.38 117.14 2wdy h ARG 52 Ca 0.12 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.80 2wdy h ARG 52 Cb 0.58 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2wdy h ARG 52 CO 0.04 1.07 0.28 0.35 -1.07 0.00 0.00 179.97 180.64 2wdy h PHE 53 N 0.92 0.54 -0.92 3.04 3.57 -0.78 -1.63 116.94 121.67 2wdy h PHE 53 Ca 0.14 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.71 2wdy h PHE 53 Cb 0.66 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 2wdy h PHE 53 CO 0.05 0.33 0.60 0.00 -2.23 0.00 0.00 178.31 177.06 2wdy h ALA 54 N 1.17 1.47 -0.64 2.41 0.00 -0.94 -0.91 119.26 121.80 2wdy h ALA 54 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2wdy h ALA 54 Cb -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2wdy h ALA 54 CO -0.04 0.41 0.22 0.00 0.00 0.00 0.00 179.25 179.84 2wdy h ALA 55 N 1.49 0.84 -0.39 0.00 0.00 -0.60 0.80 119.26 121.39 2wdy h ALA 55 Ca 0.38 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2wdy h ALA 55 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2wdy h ALA 55 CO -0.13 0.50 -0.26 0.87 0.00 0.00 0.00 179.25 180.22 2wdy h LYS 56 N 0.92 0.82 -0.61 0.00 1.57 -0.64 0.75 116.57 119.38 2wdy h LYS 56 Ca 0.21 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 2wdy h LYS 56 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2wdy h LYS 56 CO -0.01 0.98 0.14 0.93 -0.57 0.00 0.00 179.45 180.93 2wdy h GLU 57 N 0.70 0.98 -0.67 3.15 4.39 -0.97 -0.89 114.58 121.28 2wdy h GLU 57 Ca 0.09 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 2wdy h GLU 57 Cb 0.79 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2wdy h GLU 57 CO 0.07 0.90 0.17 0.00 -1.16 0.00 0.00 179.01 178.98 2wdy h ALA 58 N 1.04 1.04 -0.32 3.43 0.00 -0.57 -0.56 119.26 123.32 2wdy h ALA 58 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wdy h ALA 58 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wdy h ALA 58 CO 0.00 0.63 0.18 1.25 0.00 0.00 0.00 179.25 181.31 2wdy h LEU 59 N 1.00 0.40 -0.49 0.00 6.46 -0.64 -0.52 115.31 121.50 2wdy h LEU 59 Ca 0.21 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 2wdy h LEU 59 Cb 0.34 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 2wdy h LEU 59 CO -0.00 0.36 0.27 0.00 -0.62 0.00 0.00 178.44 178.45 2wdy h ALA 60 N 1.05 0.63 -0.76 1.25 0.00 -0.83 -2.08 119.26 118.52 2wdy h ALA 60 Ca 0.11 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wdy h ALA 60 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2wdy h ALA 60 CO -0.02 -0.06 0.50 0.87 0.00 0.00 0.00 179.25 180.53 2wdy h LYS 61 N 0.53 0.98 -0.02 0.00 1.57 -0.77 0.29 116.57 119.15 2wdy h LYS 61 Ca 0.21 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2wdy h LYS 61 Cb 0.09 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2wdy h LYS 61 CO -0.13 0.65 0.02 0.00 -0.57 0.00 0.00 179.45 179.42 2wdy h ALA 62 N 1.29 1.60 -0.42 3.86 0.00 -0.44 -1.25 119.26 123.90 2wdy h ALA 62 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wdy h ALA 62 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wdy h ALA 62 CO -0.07 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.43 2wdy n LEU 63 N -3.91 3.11 -0.18 0.00 4.77 -0.75 -4.17 117.00 115.86 2wdy n LEU 63 Ca -0.02 -1.40 -0.02 0.00 -0.03 0.00 0.00 56.01 54.53 2wdy n LEU 63 Cb 0.11 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2wdy n LEU 63 CO 0.28 0.70 -0.02 0.61 -1.33 0.00 0.00 177.39 177.63 2wdy n GLY 64 N 1.44 0.58 3.98 -0.72 0.00 -0.47 -4.47 105.19 105.52 2wdy n GLY 64 Ca 0.19 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2wdy n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdy n ALA 65 N 1.04 -2.21 -1.39 4.61 0.00 0.96 -4.93 120.51 118.59 2wdy n ALA 65 Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2wdy n ALA 65 Cb 0.10 -1.84 0.10 0.00 0.00 0.00 0.00 19.45 17.81 2wdy n ALA 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wdy s PRO 66 N -6.77 1.93 0.70 0.00 0.04 -1.26 -5.01 135.00 124.62 2wdy s PRO 66 Ca 0.36 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 2wdy s PRO 66 Cb -0.20 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2wdy s PRO 66 CO 0.73 -1.78 1.21 0.00 0.04 0.00 0.00 177.00 177.20 2wdy s ALA 67 N -3.02 2.23 0.00 8.56 0.00 -1.26 -4.05 121.76 124.22 2wdy s ALA 67 Ca 0.61 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2wdy s ALA 67 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2wdy s ALA 67 CO 0.56 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 175.02 2wdy n GLY 68 N 0.42 0.62 3.73 0.00 0.00 -1.26 -5.06 105.19 103.65 2wdy n GLY 68 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2wdy n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdy s LEU 69 N 0.00 4.46 -0.14 0.99 1.43 -1.26 -4.87 118.68 119.30 2wdy s LEU 69 Ca 0.00 1.98 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 2wdy s LEU 69 Cb 0.00 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2wdy s LEU 69 CO 0.00 -0.22 0.19 -0.76 0.23 0.00 0.00 176.35 175.79 2wdy s LEU 70 N 0.03 4.32 0.49 1.79 1.43 -1.26 -4.99 118.68 120.49 2wdy s LEU 70 Ca 0.50 0.46 0.24 0.00 -1.03 0.00 0.00 54.13 54.30 2wdy s LEU 70 Cb -0.27 -2.18 1.27 0.00 0.03 0.00 0.00 46.19 45.04 2wdy s LEU 70 CO 0.32 0.28 2.02 -0.50 0.23 0.00 0.00 176.35 178.70 2wdy h TRP 71 N 5.73 0.00 0.00 0.29 4.06 -1.88 -1.24 115.95 122.92 2wdy h TRP 71 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 2wdy h TRP 71 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2wdy h TRP 71 CO 0.67 0.16 0.00 0.25 -3.56 0.00 0.00 178.44 175.97 2wdy n THR 72 N -3.77 0.06 0.71 1.49 -2.24 -1.26 -2.79 114.28 106.48 2wdy n THR 72 Ca -0.02 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 2wdy n THR 72 Cb 0.27 -0.56 0.27 0.00 -2.10 0.00 0.00 70.33 68.21 2wdy n THR 72 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wdy n ASP 73 N -1.17 2.77 -4.16 3.42 8.00 -0.47 -4.72 116.55 120.22 2wdy n ASP 73 Ca 0.17 -1.89 -0.31 0.00 0.71 0.00 0.00 54.79 53.46 2wdy n ASP 73 Cb 0.17 -0.17 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 2wdy n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdy s ALA 74 N -1.65 2.09 -0.10 2.24 0.00 -1.12 -1.33 121.76 121.89 2wdy s ALA 74 Ca 0.36 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.37 2wdy s ALA 74 Cb 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.43 2wdy s ALA 74 CO 0.30 0.04 -0.19 -2.00 0.00 0.00 0.00 175.76 173.91 2wdy s GLU 75 N 0.73 2.51 -0.31 0.00 2.12 0.24 -4.89 118.70 119.10 2wdy s GLU 75 Ca -0.10 -0.68 -0.19 0.00 0.36 0.00 0.00 54.97 54.35 2wdy s GLU 75 Cb -0.16 -2.00 -0.01 0.00 0.26 0.00 0.00 34.13 32.22 2wdy s GLU 75 CO 0.01 0.05 0.58 0.08 -0.54 0.00 0.00 175.26 175.44 2wdy s VAL 76 N 0.66 4.97 0.44 3.70 1.01 -1.26 -0.85 120.40 129.06 2wdy s VAL 76 Ca -0.13 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.62 2wdy s VAL 76 Cb -0.16 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2wdy s VAL 76 CO 0.03 -0.14 0.12 -1.66 0.00 0.00 0.00 175.10 173.45 2wdy s TRP 77 N 2.53 2.39 -0.08 5.22 1.48 -0.30 -4.71 118.94 125.48 2wdy s TRP 77 Ca 0.23 -0.69 0.00 0.00 -1.06 0.00 0.00 56.10 54.58 2wdy s TRP 77 Cb -0.15 -1.85 0.02 0.00 -1.16 0.00 0.00 33.47 30.33 2wdy s TRP 77 CO 0.12 0.22 -0.05 0.08 -4.06 0.00 0.00 176.95 173.26 2wdy s VAL 78 N -2.69 0.72 0.77 -0.66 1.01 -1.26 -0.39 120.40 117.91 2wdy s VAL 78 Ca 0.33 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 2wdy s VAL 78 Cb 0.05 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.73 2wdy s VAL 78 CO 0.18 0.30 1.12 -1.61 0.00 0.00 0.00 175.10 175.09 2wdy s GLU 79 N 1.44 2.10 0.27 2.72 2.02 -0.01 -4.90 118.70 122.34 2wdy s GLU 79 Ca -0.02 1.36 -0.02 0.00 0.02 0.00 0.00 54.97 56.32 2wdy s GLU 79 Cb -0.13 -1.87 0.60 0.00 0.10 0.00 0.00 34.13 32.83 2wdy s GLU 79 CO -0.04 -1.79 1.64 0.00 0.02 0.00 0.00 175.26 175.10 2wdy h ALA 80 N -0.95 1.07 0.00 5.21 0.00 -2.01 0.62 119.26 123.20 2wdy h ALA 80 Ca -0.45 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wdy h ALA 80 Cb 1.25 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2wdy h ALA 80 CO 0.50 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2wdy n GLY 81 N -1.40 -0.82 0.00 0.00 0.00 -1.26 -4.84 105.19 96.87 2wdy n GLY 81 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wdy n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdy n GLY 82 N -0.55 0.63 3.71 -0.02 0.00 0.21 -5.08 105.19 104.10 2wdy n GLY 82 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2wdy n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdy s ARG 83 N -0.61 4.37 0.37 1.61 3.52 -1.25 -4.73 118.95 122.22 2wdy s ARG 83 Ca 0.00 1.94 -0.24 0.00 -0.13 0.00 0.00 55.73 57.31 2wdy s ARG 83 Cb 0.00 -3.29 -0.10 0.00 -1.56 0.00 0.00 34.95 30.00 2wdy s ARG 83 CO 0.00 -0.36 0.95 -1.25 -0.81 0.00 0.00 175.30 173.83 2wdy s PRO 84 N 1.08 4.41 0.03 5.12 0.04 -1.26 -0.83 135.00 143.59 2wdy s PRO 84 Ca 0.62 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.90 2wdy s PRO 84 Cb -0.34 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 2wdy s PRO 84 CO 0.30 0.12 -0.03 1.03 0.04 0.00 0.00 177.00 178.46 2wdy s ARG 85 N -2.57 0.41 -0.13 4.56 1.81 0.48 -4.75 118.95 118.77 2wdy s ARG 85 Ca 0.56 -0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 53.73 2wdy s ARG 85 Cb -0.15 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 2wdy s ARG 85 CO 0.19 -0.06 0.05 -0.51 -0.68 0.00 0.00 175.30 174.29 2wdy s LEU 86 N -1.87 3.82 -0.07 2.53 1.43 -1.26 -1.15 118.68 122.10 2wdy s LEU 86 Ca -0.09 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2wdy s LEU 86 Cb -0.05 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2wdy s LEU 86 CO -0.03 0.31 -0.15 -0.60 0.23 0.00 0.00 176.35 176.11 2wdy s ARG 87 N -0.48 2.02 0.03 1.70 3.52 -0.03 -4.93 118.95 120.78 2wdy s ARG 87 Ca 0.10 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 55.25 2wdy s ARG 87 Cb -0.12 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 2wdy s ARG 87 CO 0.02 0.07 -0.24 0.14 -0.81 0.00 0.00 175.30 174.48 2wdy s VAL 88 N 0.56 2.32 0.24 7.11 -7.23 -1.26 -0.59 120.40 121.54 2wdy s VAL 88 Ca -0.15 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2wdy s VAL 88 Cb -0.16 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2wdy s VAL 88 CO 0.05 0.39 0.16 0.42 -0.31 0.00 0.00 175.10 175.81 2wdy s THR 89 N -0.81 0.10 0.00 5.32 -4.23 -0.44 -4.64 115.64 110.95 2wdy s THR 89 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2wdy s THR 89 Cb -0.10 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2wdy s THR 89 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2wdy n GLY 90 N -0.39 3.03 0.33 3.99 0.00 -1.26 -1.60 105.19 109.30 2wdy n GLY 90 Ca 0.03 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 2wdy n GLY 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wdy h THR 91 N 0.00 1.24 -0.11 2.61 1.35 -1.90 0.01 112.91 116.10 2wdy h THR 91 Ca 0.00 -0.69 -0.19 0.00 -0.55 0.00 0.00 66.41 64.98 2wdy h THR 91 Cb 0.00 0.34 0.01 0.00 -1.73 0.00 0.00 68.15 66.77 2wdy h THR 91 CO 0.00 0.29 -0.66 0.58 -0.25 0.00 0.00 175.52 175.48 2wdy h VAL 92 N 1.03 1.33 -0.96 6.82 2.07 -1.60 -2.05 116.25 122.88 2wdy h VAL 92 Ca 0.25 -1.92 0.01 0.00 0.82 0.00 0.00 66.70 65.85 2wdy h VAL 92 Cb 0.14 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2wdy h VAL 92 CO -0.03 0.59 0.64 0.00 0.02 0.00 0.00 177.57 178.79 2wdy h ALA 93 N 0.49 1.32 -0.47 1.67 0.00 -1.02 -0.94 119.26 120.30 2wdy h ALA 93 Ca -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2wdy h ALA 93 Cb 1.30 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2wdy h ALA 93 CO 0.14 0.63 0.04 0.00 0.00 0.00 0.00 179.25 180.05 2wdy h ALA 94 N 1.40 0.63 -0.64 0.00 0.00 -0.86 -0.67 119.26 119.13 2wdy h ALA 94 Ca 0.36 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2wdy h ALA 94 Cb -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2wdy h ALA 94 CO -0.08 0.40 0.10 -0.09 0.00 0.00 0.00 179.25 179.58 2wdy h ARG 95 N 0.67 1.06 -0.90 0.00 9.65 -1.18 -1.93 114.38 121.75 2wdy h ARG 95 Ca 0.14 -0.29 0.01 0.00 -1.10 0.00 0.00 59.98 58.74 2wdy h ARG 95 Cb 0.45 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 2wdy h ARG 95 CO 0.02 0.99 0.60 0.00 2.80 0.00 0.00 179.97 184.37 2wdy h ALA 96 N 1.03 1.15 -0.56 2.80 0.00 -0.97 -2.06 119.26 120.65 2wdy h ALA 96 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2wdy h ALA 96 Cb 0.44 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2wdy h ALA 96 CO 0.01 0.54 0.12 0.00 0.00 0.00 0.00 179.25 179.92 2wdy h ALA 97 N 1.33 1.16 -0.68 0.00 0.00 -0.83 -0.15 119.26 120.10 2wdy h ALA 97 Ca 0.33 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2wdy h ALA 97 Cb -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2wdy h ALA 97 CO -0.07 0.56 0.45 1.49 0.00 0.00 0.00 179.25 181.68 2wdy h GLU 98 N 0.83 0.66 -0.01 0.00 4.81 -0.65 -2.20 114.58 118.02 2wdy h GLU 98 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2wdy h GLU 98 Cb 0.33 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2wdy h GLU 98 CO 0.00 0.44 -0.48 1.28 -0.73 0.00 0.00 179.01 179.52 2wdy n LEU 99 N -4.48 1.35 0.00 1.64 4.77 -0.86 -4.98 117.00 114.43 2wdy n LEU 99 Ca 0.10 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2wdy n LEU 99 Cb 0.24 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2wdy n LEU 99 CO 0.34 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2wdy n GLY 100 N 1.41 0.53 3.68 -0.72 0.00 -0.34 -5.01 105.19 104.74 2wdy n GLY 100 Ca 0.09 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2wdy n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdy s VAL 101 N -2.00 4.58 -0.11 1.61 1.01 -0.22 -4.30 120.40 120.97 2wdy s VAL 101 Ca 0.00 1.87 0.12 0.00 0.00 0.00 0.00 61.98 63.97 2wdy s VAL 101 Cb 0.00 -4.20 -0.18 0.00 0.00 0.00 0.00 36.38 32.00 2wdy s VAL 101 CO 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 175.10 175.18 2wdy n ALA 102 N 5.33 1.87 -2.83 5.51 0.00 0.47 -4.68 120.51 126.18 2wdy n ALA 102 Ca 0.10 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.65 2wdy n ALA 102 Cb 0.47 -0.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 2wdy n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdy s SER 103 N -4.41 0.32 -0.03 0.00 0.15 -0.41 -5.02 113.70 104.30 2wdy s SER 103 Ca -0.06 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.56 2wdy s SER 103 Cb 0.05 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2wdy s SER 103 CO 0.56 0.00 -0.23 0.26 1.20 0.00 0.00 173.24 175.02 2wdy s TRP 104 N -0.20 2.42 -0.05 3.44 0.52 -1.26 -1.20 118.94 122.61 2wdy s TRP 104 Ca -0.00 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.73 2wdy s TRP 104 Cb -0.02 -1.54 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2wdy s TRP 104 CO -0.00 -0.01 -0.10 -1.01 0.02 0.00 0.00 176.95 175.85 2wdy s HIS 105 N -0.59 1.15 0.02 -1.98 3.76 -0.37 -4.82 115.29 112.46 2wdy s HIS 105 Ca 0.09 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2wdy s HIS 105 Cb -0.10 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.71 2wdy s HIS 105 CO -0.00 -0.19 -0.05 0.54 -0.85 0.00 0.00 174.74 174.19 2wdy s VAL 106 N 0.53 0.30 0.01 -0.90 0.11 -1.26 -0.85 120.40 118.34 2wdy s VAL 106 Ca -0.10 -0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2wdy s VAL 106 Cb -0.13 -0.37 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 2wdy s VAL 106 CO 0.02 -0.30 0.03 -0.55 -3.33 0.00 0.00 175.10 170.97 2wdy s SER 107 N -1.12 0.14 0.12 3.54 0.15 -0.74 -4.86 113.70 110.93 2wdy s SER 107 Ca -0.09 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.30 2wdy s SER 107 Cb -0.08 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 2wdy s SER 107 CO -0.00 -0.29 -0.20 -0.76 1.20 0.00 0.00 173.24 173.19 2wdy s LEU 108 N -1.27 2.34 -0.04 3.45 1.43 -1.26 -1.93 118.68 121.40 2wdy s LEU 108 Ca -0.14 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 2wdy s LEU 108 Cb -0.08 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.31 2wdy s LEU 108 CO -0.00 0.03 0.35 -0.55 0.23 0.00 0.00 176.35 176.41 2wdy s SER 109 N -2.12 -0.27 -0.12 2.29 0.15 -0.28 -5.00 113.70 108.35 2wdy s SER 109 Ca 0.09 0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.95 2wdy s SER 109 Cb -0.09 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.70 2wdy s SER 109 CO 0.05 -0.40 0.24 -1.38 1.20 0.00 0.00 173.24 172.94 2wdy s HIS 110 N -1.04 -0.36 0.09 3.44 -3.43 -1.26 -0.13 115.29 112.60 2wdy s HIS 110 Ca -0.11 0.87 -0.21 0.00 -0.80 0.00 0.00 55.06 54.81 2wdy s HIS 110 Cb -0.04 -0.09 0.05 0.00 -1.43 0.00 0.00 32.58 31.07 2wdy s HIS 110 CO 0.04 -0.32 0.50 0.00 -2.00 0.00 0.00 174.74 172.96 2wdy s ALA 111 N 2.29 -1.26 -1.35 -1.38 0.00 -0.49 -4.97 121.76 114.59 2wdy s ALA 111 Ca 0.01 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 2wdy s ALA 111 Cb -0.12 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.58 2wdy s ALA 111 CO -0.08 -0.59 0.29 0.00 0.00 0.00 0.00 175.76 175.39 2wdy n ALA 112 N 0.10 -0.89 -0.84 0.00 0.00 -1.26 -1.37 120.51 116.26 2wdy n ALA 112 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wdy n ALA 112 Cb 0.62 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2wdy n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdy n GLY 113 N -1.12 0.89 3.37 0.00 0.00 -1.26 -5.03 105.19 102.03 2wdy n GLY 113 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2wdy n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wdy s ILE 114 N -3.51 2.30 -0.10 -0.61 -4.36 -0.47 -1.11 121.20 113.35 2wdy s ILE 114 Ca 0.00 -1.32 -0.00 0.00 -0.26 0.00 0.00 60.65 59.07 2wdy s ILE 114 Cb 0.00 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 2wdy s ILE 114 CO 0.00 0.38 -0.08 0.00 0.24 0.00 0.00 174.94 175.47 2wdy s ALA 115 N -0.82 2.89 0.07 2.27 0.00 0.44 -1.40 121.76 125.20 2wdy s ALA 115 Ca 0.12 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.26 2wdy s ALA 115 Cb -0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2wdy s ALA 115 CO 0.03 0.43 -0.16 -1.12 0.00 0.00 0.00 175.76 174.94 2wdy s SER 116 N -0.32 1.85 -0.03 0.00 0.01 0.81 -0.07 113.70 115.95 2wdy s SER 116 Ca 0.04 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 2wdy s SER 116 Cb -0.13 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.03 2wdy s SER 116 CO 0.02 -0.01 0.15 0.00 0.41 0.00 0.00 173.24 173.81 2wdy s ALA 117 N -1.12 -0.36 -0.03 1.44 0.00 -0.58 -1.13 121.76 119.99 2wdy s ALA 117 Ca 0.01 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2wdy s ALA 117 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2wdy s ALA 117 CO 0.02 -0.14 -0.20 0.08 0.00 0.00 0.00 175.76 175.52 2wdy s VAL 118 N -0.65 1.65 -0.04 0.00 1.01 -0.81 -1.75 120.40 119.80 2wdy s VAL 118 Ca -0.07 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2wdy s VAL 118 Cb -0.04 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2wdy s VAL 118 CO 0.01 0.47 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 2wdy s VAL 119 N -0.28 0.88 -0.09 2.92 1.01 -0.25 -1.79 120.40 122.80 2wdy s VAL 119 Ca 0.03 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2wdy s VAL 119 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2wdy s VAL 119 CO 0.01 0.29 -0.22 -0.63 0.00 0.00 0.00 175.10 174.54 2wdy s ILE 120 N 0.52 1.93 -0.18 2.22 1.01 -0.03 -0.84 121.20 125.83 2wdy s ILE 120 Ca -0.09 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 2wdy s ILE 120 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2wdy s ILE 120 CO 0.02 0.53 0.07 0.00 0.00 0.00 0.00 174.94 175.55 2wdy s ALA 121 N 0.32 3.44 0.05 9.38 0.00 -0.01 -1.24 121.76 133.71 2wdy s ALA 121 Ca -0.17 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2wdy s ALA 121 Cb -0.17 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2wdy s ALA 121 CO 0.08 0.22 -0.12 -2.00 0.00 0.00 0.00 175.76 173.94 2wdy s GLU 122 N 0.24 0.74 0.00 0.00 2.12 -0.34 -0.30 118.70 121.16 2wdy s GLU 122 Ca 0.04 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2wdy s GLU 122 Cb -0.12 -0.68 0.00 0.00 0.26 0.00 0.00 34.13 33.59 2wdy s GLU 122 CO 0.00 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.28