#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ora s HIS 2 N 0.00 -0.12 -1.12 1.45 0.00 -1.26 -5.02 115.29 109.22 2ora s HIS 2 Ca 0.00 -0.17 -0.19 0.00 -3.00 0.00 0.00 55.06 51.70 2ora s HIS 2 Cb 0.00 0.63 -0.06 0.00 -4.00 0.00 0.00 32.58 29.16 2ora s HIS 2 CO 0.00 -0.78 2.00 0.94 -1.00 0.00 0.00 174.74 175.90 2ora n GLN 3 N -0.47 2.17 0.00 -0.38 7.27 -1.26 -1.74 117.38 122.97 2ora n GLN 3 Ca -0.06 -2.37 0.00 0.00 0.07 0.00 0.00 57.00 54.64 2ora n GLN 3 Cb 0.61 -3.23 0.00 0.00 2.41 0.00 0.00 30.24 30.03 2ora n GLN 3 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2ora n VAL 4 N 6.04 0.00 0.00 1.69 3.14 -1.26 -4.82 118.33 123.12 2ora n VAL 4 Ca 0.50 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2ora n VAL 4 Cb 0.42 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 2ora n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ora n LEU 5 N -0.81 0.00 -4.93 6.55 -0.00 -0.75 -5.06 117.00 112.00 2ora n LEU 5 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 2ora n LEU 5 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 43.55 2ora n LEU 5 CO 0.00 0.00 0.78 -0.47 -0.00 0.00 0.00 177.39 177.70 2ora s TYR 6 N 0.00 2.23 -0.60 1.47 5.04 -0.71 -4.22 117.35 120.56 2ora s TYR 6 Ca 0.00 0.43 -0.26 0.00 -2.44 0.00 0.00 57.07 54.79 2ora s TYR 6 Cb 0.00 -3.69 -0.03 0.00 0.35 0.00 0.00 41.96 38.59 2ora s TYR 6 CO 0.00 -2.10 1.93 0.50 -1.34 0.00 0.00 175.55 174.54 2ora s ARG 7 N -5.63 2.56 0.14 4.97 3.52 -1.26 -4.83 118.95 118.42 2ora s ARG 7 Ca 0.67 0.70 0.08 0.00 -0.13 0.00 0.00 55.73 57.05 2ora s ARG 7 Cb -0.07 -4.42 -0.14 0.00 -1.56 0.00 0.00 34.95 28.76 2ora s ARG 7 CO 0.50 -2.81 1.32 0.00 -0.81 0.00 0.00 175.30 173.50 2ora h ALA 8 N 15.53 0.42 -3.73 6.12 0.00 -1.88 -3.39 119.26 132.33 2ora h ALA 8 Ca -0.26 -0.86 -0.68 0.00 0.00 0.00 0.00 54.91 53.11 2ora h ALA 8 Cb 1.17 -0.15 -0.27 0.00 0.00 0.00 0.00 17.79 18.54 2ora h ALA 8 CO 1.21 1.19 -0.80 -0.51 0.00 0.00 0.00 179.25 180.34 2ora s LEU 9 N -6.80 2.53 0.07 0.00 1.43 -1.26 -0.49 118.68 114.16 2ora s LEU 9 Ca 0.01 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2ora s LEU 9 Cb 0.10 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 2ora s LEU 9 CO 0.81 0.24 -0.21 -0.69 0.23 0.00 0.00 176.35 176.74 2ora s VAL 10 N -0.14 1.71 0.42 -1.59 1.01 -0.95 -4.91 120.40 115.96 2ora s VAL 10 Ca -0.02 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 2ora s VAL 10 Cb -0.14 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2ora s VAL 10 CO 0.04 0.10 0.66 -0.94 0.00 0.00 0.00 175.10 174.96 2ora s SER 11 N -1.50 6.17 0.17 3.32 1.04 -1.26 -0.38 113.70 121.26 2ora s SER 11 Ca 0.07 0.59 -0.12 0.00 0.48 0.00 0.00 55.95 56.98 2ora s SER 11 Cb -0.09 -2.00 0.07 0.00 0.10 0.00 0.00 66.02 64.10 2ora s SER 11 CO 0.03 -0.49 1.72 0.71 0.98 0.00 0.00 173.24 176.18 2ora h THR 12 N 0.47 1.23 -0.12 2.02 1.35 -1.95 -1.26 112.91 114.65 2ora h THR 12 Ca -0.48 -0.74 0.03 0.00 -0.55 0.00 0.00 66.41 64.67 2ora h THR 12 Cb 1.22 0.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.22 2ora h THR 12 CO 0.61 0.29 -0.07 0.50 -0.25 0.00 0.00 175.52 176.59 2ora h LYS 13 N 0.83 -0.07 -0.64 4.72 3.64 -1.97 0.43 116.57 123.51 2ora h LYS 13 Ca 0.20 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.71 2ora h LYS 13 Cb 0.23 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 2ora h LYS 13 CO -0.01 -0.05 0.15 2.35 -2.27 0.00 0.00 179.45 179.61 2ora h TRP 14 N -0.07 0.23 0.10 1.91 7.01 -1.87 -1.07 115.95 122.19 2ora h TRP 14 Ca 0.07 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 2ora h TRP 14 Cb 0.18 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2ora h TRP 14 CO -0.20 -0.04 -0.05 1.25 -2.79 0.00 0.00 178.44 176.61 2ora h LEU 15 N 0.27 -0.11 -0.60 0.65 6.46 -0.57 -1.86 115.31 119.55 2ora h LEU 15 Ca 0.35 -0.26 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 2ora h LEU 15 Cb 0.53 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.44 2ora h LEU 15 CO -0.43 0.20 0.29 0.00 -0.62 0.00 0.00 178.44 177.88 2ora h ALA 16 N 0.43 0.78 -0.08 1.25 0.00 0.23 -0.46 119.26 121.41 2ora h ALA 16 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ora h ALA 16 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2ora h ALA 16 CO 0.02 -0.07 -0.19 0.93 0.00 0.00 0.00 179.25 179.93 2ora h GLU 17 N 0.54 0.13 0.00 0.00 5.08 -1.16 0.70 114.58 119.86 2ora h GLU 17 Ca 0.28 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2ora h GLU 17 Cb 0.23 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2ora h GLU 17 CO -0.21 0.32 -0.60 0.77 -1.00 0.00 0.00 179.01 178.29 2ora h SER 18 N 0.12 0.00 0.12 1.42 0.02 -0.44 -1.52 113.55 113.28 2ora h SER 18 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2ora h SER 18 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2ora h SER 18 CO 0.03 0.60 -0.06 0.58 -1.14 0.00 0.00 176.83 176.84 2ora h VAL 19 N 0.00 0.98 -0.30 2.27 2.07 -0.15 0.61 116.25 121.73 2ora h VAL 19 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2ora h VAL 19 Cb 1.10 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2ora h VAL 19 CO 0.08 0.09 0.15 0.03 0.02 0.00 0.00 177.57 177.94 2ora h ARG 20 N -0.35 0.41 -0.00 1.57 3.08 -0.66 -1.76 114.38 116.66 2ora h ARG 20 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2ora h ARG 20 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2ora h ARG 20 CO 0.03 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.24 2ora n ALA 21 N -2.49 2.63 -1.48 0.04 0.00 -0.59 -4.86 120.51 113.76 2ora n ALA 21 Ca 0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 2ora n ALA 21 Cb 0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 2ora n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ora n GLY 22 N 0.84 0.75 0.26 0.00 0.00 -0.66 -4.91 105.19 101.46 2ora n GLY 22 Ca 0.16 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.68 2ora n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ora h LYS 23 N 0.00 0.00 -6.29 1.61 1.79 0.07 -3.44 116.57 110.32 2ora h LYS 23 Ca -0.17 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.74 2ora h LYS 23 Cb 0.69 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 2ora h LYS 23 CO 0.24 0.11 0.66 0.14 -1.08 0.00 0.00 179.45 179.52 2ora s VAL 24 N -3.77 4.45 -1.17 0.50 -7.23 -1.25 -4.09 120.40 107.85 2ora s VAL 24 Ca -0.00 1.76 0.00 0.00 -1.81 0.00 0.00 61.98 61.93 2ora s VAL 24 Cb 0.10 -4.13 0.00 0.00 0.56 0.00 0.00 36.38 32.91 2ora s VAL 24 CO 0.58 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 2ora n GLY 25 N 3.27 -0.57 0.52 2.32 0.00 -0.74 -4.94 105.19 105.06 2ora n GLY 25 Ca 0.10 -0.67 0.40 0.00 0.00 0.00 0.00 46.02 45.85 2ora n GLY 25 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ora h PRO 26 N 0.00 0.06 0.00 1.61 0.11 -1.88 0.12 132.00 132.02 2ora h PRO 26 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2ora h PRO 26 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2ora h PRO 26 CO 0.00 0.04 -0.65 0.78 -0.21 0.00 0.00 178.00 177.96 2ora h GLY 27 N 0.06 0.00 -6.76 -0.55 0.00 -1.90 -3.38 103.07 90.53 2ora h GLY 27 Ca 0.83 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.85 2ora h GLY 27 CO -0.31 0.00 -0.62 -2.27 0.00 0.00 0.00 176.54 173.34 2ora s LEU 28 N -5.26 -0.13 -0.06 3.11 2.96 0.42 -0.87 118.68 118.84 2ora s LEU 28 Ca 0.03 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2ora s LEU 28 Cb 0.09 0.41 -0.02 0.00 0.50 0.00 0.00 46.19 47.17 2ora s LEU 28 CO 0.74 -0.32 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.17 2ora s ARG 29 N 2.34 2.65 -0.12 1.98 1.81 -0.87 -1.78 118.95 124.95 2ora s ARG 29 Ca 0.07 -0.71 -0.01 0.00 -1.72 0.00 0.00 55.73 53.36 2ora s ARG 29 Cb -0.16 -2.41 -0.02 0.00 -0.45 0.00 0.00 34.95 31.92 2ora s ARG 29 CO -0.12 0.54 -0.09 0.08 -0.68 0.00 0.00 175.30 175.03 2ora s VAL 30 N -0.51 3.41 -0.00 3.52 1.01 -1.26 -0.14 120.40 126.43 2ora s VAL 30 Ca 0.07 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2ora s VAL 30 Cb -0.12 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2ora s VAL 30 CO 0.01 0.53 -0.12 -0.76 0.00 0.00 0.00 175.10 174.77 2ora s LEU 31 N 0.10 2.05 -0.26 3.92 1.43 0.11 -1.63 118.68 124.40 2ora s LEU 31 Ca -0.04 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2ora s LEU 31 Cb -0.14 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2ora s LEU 31 CO 0.04 0.12 0.12 -0.62 0.23 0.00 0.00 176.35 176.24 2ora s ASP 32 N -0.42 5.56 -0.37 2.29 2.15 -0.00 -0.95 116.67 124.94 2ora s ASP 32 Ca 0.04 -0.10 0.06 0.00 0.43 0.00 0.00 52.55 52.98 2ora s ASP 32 Cb -0.05 -2.01 0.45 0.00 -0.30 0.00 0.00 42.92 41.00 2ora s ASP 32 CO -0.00 -0.03 1.24 0.00 -0.17 0.00 0.00 175.17 176.22 2ora n ALA 33 N 4.88 5.15 -1.78 3.66 0.00 0.15 0.71 120.51 133.29 2ora n ALA 33 Ca -0.15 -3.92 -0.41 0.00 0.00 0.00 0.00 53.44 48.97 2ora n ALA 33 Cb 0.52 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 2ora n ALA 33 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ora s SER 34 N -3.41 7.01 -0.11 0.00 0.01 -1.26 -4.55 113.70 111.38 2ora s SER 34 Ca 0.51 2.48 -0.10 0.00 1.31 0.00 0.00 55.95 60.15 2ora s SER 34 Cb 0.41 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 64.04 2ora s SER 34 CO -0.03 -0.35 0.30 0.86 0.41 0.00 0.00 173.24 174.43 2ora s TRP 35 N -1.08 -0.33 0.04 2.43 -0.00 -1.26 -4.79 118.94 113.94 2ora s TRP 35 Ca 0.47 0.81 0.01 0.00 -0.00 0.00 0.00 56.10 57.39 2ora s TRP 35 Cb -0.36 0.11 -0.03 0.00 -0.00 0.00 0.00 33.47 33.20 2ora s TRP 35 CO 0.47 -0.17 -0.06 0.71 -0.00 0.00 0.00 176.95 177.90 2ora s TYR 36 N 0.24 0.56 0.30 5.86 2.02 -1.26 -4.91 117.35 120.16 2ora s TYR 36 Ca -0.01 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.75 2ora s TYR 36 Cb -0.03 -0.35 -0.12 0.00 -0.40 0.00 0.00 41.96 41.06 2ora s TYR 36 CO -0.00 -0.16 1.49 0.43 -1.57 0.00 0.00 175.55 175.74 2ora n SER 37 N 1.10 3.44 -4.57 2.29 7.64 -1.26 -4.87 113.62 117.39 2ora n SER 37 Ca -0.20 1.17 -0.46 0.00 1.01 0.00 0.00 58.87 60.38 2ora n SER 37 Cb 0.56 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 2ora n SER 37 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ora n PRO 38 N 1.66 1.21 -0.26 1.43 -0.04 -1.26 -1.67 135.00 136.07 2ora n PRO 38 Ca 0.08 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2ora n PRO 38 Cb 0.36 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2ora n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ora n GLY 39 N 1.48 1.86 0.00 0.55 0.00 -1.26 -4.92 105.19 102.90 2ora n GLY 39 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2ora n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ora n THR 40 N -2.00 0.00 -4.09 2.61 -2.24 -0.67 -5.06 114.28 102.83 2ora n THR 40 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2ora n THR 40 Cb 0.00 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 2ora n THR 40 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ora s ARG 41 N 0.00 2.86 -0.74 -0.78 0.52 -1.26 -5.07 118.95 114.48 2ora s ARG 41 Ca 0.00 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 54.24 2ora s ARG 41 Cb 0.00 -2.62 0.19 0.00 0.52 0.00 0.00 34.95 33.04 2ora s ARG 41 CO 0.00 0.48 0.61 -1.83 0.02 0.00 0.00 175.30 174.58 2ora s GLU 42 N -3.12 3.08 0.18 3.54 -1.05 -1.26 -4.67 118.70 115.41 2ora s GLU 42 Ca 0.31 -2.58 -0.18 0.00 -0.15 0.00 0.00 54.97 52.37 2ora s GLU 42 Cb -0.10 -4.05 0.14 0.00 -0.44 0.00 0.00 34.13 29.67 2ora s GLU 42 CO 0.23 -1.23 1.62 0.00 0.95 0.00 0.00 175.26 176.83 2ora h ALA 43 N 7.25 0.14 -0.41 -0.84 0.00 -1.93 0.52 119.26 123.99 2ora h ALA 43 Ca 0.05 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2ora h ALA 43 Cb 0.98 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2ora h ALA 43 CO 0.74 -0.55 -0.26 -0.09 0.00 0.00 0.00 179.25 179.09 2ora h ARG 44 N -0.11 0.86 -0.47 0.00 1.12 -1.93 -2.04 114.38 111.81 2ora h ARG 44 Ca 0.23 -0.37 -0.13 0.00 -1.11 0.00 0.00 59.98 58.59 2ora h ARG 44 Cb 0.46 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 2ora h ARG 44 CO -0.55 1.02 -0.23 -0.22 -3.11 0.00 0.00 179.97 176.87 2ora h LYS 45 N 0.74 0.98 -0.74 0.20 3.64 -1.92 -1.27 116.57 118.20 2ora h LYS 45 Ca 0.09 -0.43 0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2ora h LYS 45 Cb 0.80 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 2ora h LYS 45 CO 0.07 1.11 0.41 0.93 -2.27 0.00 0.00 179.45 179.70 2ora h GLU 46 N 0.83 0.71 -0.61 1.90 5.08 -0.81 -1.88 114.58 119.81 2ora h GLU 46 Ca 0.10 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2ora h GLU 46 Cb 0.81 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2ora h GLU 46 CO 0.07 0.47 0.07 -0.92 -1.00 0.00 0.00 179.01 177.70 2ora h TYR 47 N 0.74 1.09 -0.02 4.33 3.20 -0.83 -2.66 116.97 122.81 2ora h TYR 47 Ca 0.34 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2ora h TYR 47 Cb 0.26 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2ora h TYR 47 CO -0.07 0.93 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.15 2ora h LEU 48 N 0.95 0.03 0.15 2.82 3.38 -0.49 -3.23 115.31 118.93 2ora h LEU 48 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2ora h LEU 48 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2ora h LEU 48 CO 0.02 0.20 -0.07 -0.33 0.09 0.00 0.00 178.44 178.34 2ora h GLU 49 N 0.03 -0.20 -3.83 1.13 5.08 -1.11 -3.42 114.58 112.27 2ora h GLU 49 Ca 0.01 0.01 -0.45 0.00 -1.00 0.00 0.00 59.36 57.93 2ora h GLU 49 Cb 0.31 0.04 -0.37 0.00 0.50 0.00 0.00 28.75 29.23 2ora h GLU 49 CO 0.02 0.24 -0.77 1.03 -1.00 0.00 0.00 179.01 178.52 2ora s ARG 50 N -3.26 0.81 0.00 2.33 0.52 -1.03 -3.44 118.95 114.87 2ora s ARG 50 Ca -0.12 0.02 -0.08 0.00 -0.52 0.00 0.00 55.73 55.03 2ora s ARG 50 Cb 0.00 -1.08 0.00 0.00 0.52 0.00 0.00 34.95 34.40 2ora s ARG 50 CO 0.46 -0.28 0.16 -3.38 0.02 0.00 0.00 175.30 172.28 2ora s HIS 51 N 1.83 0.02 0.32 -0.53 -3.43 -0.13 -4.45 115.29 108.92 2ora s HIS 51 Ca 0.04 -0.10 -0.29 0.00 -0.80 0.00 0.00 55.06 53.91 2ora s HIS 51 Cb -0.12 -0.03 -0.12 0.00 -1.43 0.00 0.00 32.58 30.87 2ora s HIS 51 CO -0.05 -0.31 1.36 0.28 -2.00 0.00 0.00 174.74 174.02 2ora n VAL 52 N 1.38 1.68 -1.64 -5.38 0.31 -1.26 -1.56 118.33 111.85 2ora n VAL 52 Ca -0.22 -0.42 -0.50 0.00 -0.01 0.00 0.00 64.34 63.18 2ora n VAL 52 Cb 0.56 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 2ora n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2ora n PRO 53 N 1.01 1.61 -0.26 5.55 -0.02 -1.26 -1.01 135.00 140.62 2ora n PRO 53 Ca 0.06 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2ora n PRO 53 Cb 0.35 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2ora n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ora n GLY 54 N 3.26 1.83 3.84 -1.23 0.00 -1.26 -5.02 105.19 106.60 2ora n GLY 54 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2ora n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ora s ALA 55 N -3.03 2.98 0.19 4.61 0.00 -0.18 -4.67 121.76 121.65 2ora s ALA 55 Ca 0.00 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.22 2ora s ALA 55 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2ora s ALA 55 CO 0.00 -0.52 -0.10 -1.12 0.00 0.00 0.00 175.76 174.02 2ora s SER 56 N -3.29 4.20 -0.12 0.00 0.01 -0.65 -4.64 113.70 109.20 2ora s SER 56 Ca 0.59 -0.62 -0.22 0.00 1.31 0.00 0.00 55.95 57.02 2ora s SER 56 Cb -0.12 -0.68 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 2ora s SER 56 CO 0.39 0.10 0.65 0.12 0.41 0.00 0.00 173.24 174.90 2ora s PHE 57 N -1.77 3.49 -0.33 2.43 5.36 -1.26 -0.82 117.98 125.08 2ora s PHE 57 Ca 0.25 1.09 -0.11 0.00 -0.96 0.00 0.00 56.93 57.20 2ora s PHE 57 Cb -0.08 -2.77 -0.01 0.00 -0.34 0.00 0.00 43.02 39.82 2ora s PHE 57 CO 0.15 -0.00 0.19 0.12 -1.46 0.00 0.00 175.22 174.22 2ora s PHE 58 N 1.21 3.20 -0.52 10.12 2.19 0.22 -4.88 117.98 129.52 2ora s PHE 58 Ca 0.33 -0.48 -0.19 0.00 0.33 0.00 0.00 56.93 56.92 2ora s PHE 58 Cb -0.17 -2.41 0.06 0.00 -1.31 0.00 0.00 43.02 39.20 2ora s PHE 58 CO 0.14 -0.44 0.66 0.34 1.83 0.00 0.00 175.22 177.74 2ora s ASP 59 N 1.65 6.22 0.57 6.13 -1.08 -1.26 -4.47 116.67 124.43 2ora s ASP 59 Ca 0.05 -0.96 0.32 0.00 -0.52 0.00 0.00 52.55 51.44 2ora s ASP 59 Cb -0.17 -2.30 1.71 0.00 -1.46 0.00 0.00 42.92 40.70 2ora s ASP 59 CO 0.08 -0.95 2.15 0.16 0.52 0.00 0.00 175.17 177.13 2ora h ILE 60 N 5.88 0.36 0.00 4.11 -0.00 -1.91 -1.05 117.51 124.90 2ora h ILE 60 Ca -0.28 -0.34 -0.06 0.00 -0.00 0.00 0.00 64.86 64.19 2ora h ILE 60 Cb 1.09 1.24 -0.01 0.00 -0.00 0.00 0.00 36.82 39.15 2ora h ILE 60 CO 0.99 0.06 -0.26 -0.08 -0.00 0.00 0.00 178.15 178.86 2ora h GLU 61 N 0.00 0.00 0.05 0.16 4.81 -1.99 -3.06 114.58 114.55 2ora h GLU 61 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 2ora h GLU 61 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2ora h GLU 61 CO 0.01 0.26 -0.95 1.49 -0.73 0.00 0.00 179.01 179.09 2ora h GLU 62 N 0.00 0.10 -5.01 1.92 4.57 -1.65 -3.41 114.58 111.10 2ora h GLU 62 Ca -0.00 -0.18 -0.71 0.00 -1.18 0.00 0.00 59.36 57.29 2ora h GLU 62 Cb 0.49 0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 29.02 2ora h GLU 62 CO 0.03 1.08 1.95 0.00 -1.18 0.00 0.00 179.01 180.90 2ora s ARG 64 N 2.70 1.09 -0.73 0.00 1.70 -1.26 -4.56 118.95 117.91 2ora s ARG 64 Ca 0.48 -0.68 -0.23 0.00 -0.47 0.00 0.00 55.73 54.82 2ora s ARG 64 Cb 0.03 0.32 0.07 0.00 -0.57 0.00 0.00 34.95 34.80 2ora s ARG 64 CO 0.03 -0.51 1.07 0.34 -1.08 0.00 0.00 175.30 175.15 2ora s ASP 65 N -3.35 6.24 0.62 -2.89 2.15 0.79 -4.48 116.67 115.75 2ora s ASP 65 Ca 0.21 -1.03 0.39 0.00 0.43 0.00 0.00 52.55 52.54 2ora s ASP 65 Cb -0.01 -2.45 2.06 0.00 -0.30 0.00 0.00 42.92 42.22 2ora s ASP 65 CO 0.03 -1.48 2.26 0.07 -0.17 0.00 0.00 175.17 175.88 2ora h LYS 66 N 9.59 0.00 0.00 4.34 5.09 -1.90 -2.17 116.57 131.52 2ora h LYS 66 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.53 2ora h LYS 66 Cb 1.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.39 2ora h LYS 66 CO 1.21 0.01 -0.24 0.00 -2.09 0.00 0.00 179.45 178.34 2ora n ALA 67 N -2.14 2.60 -1.90 0.07 0.00 -1.26 -4.86 120.51 113.02 2ora n ALA 67 Ca -0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 2ora n ALA 67 Cb 0.13 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 2ora n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ora s SER 68 N -4.07 6.50 0.26 0.00 0.15 -0.82 -4.91 113.70 110.81 2ora s SER 68 Ca 0.10 1.47 0.24 0.00 0.70 0.00 0.00 55.95 58.45 2ora s SER 68 Cb 0.14 -2.47 0.38 0.00 -1.71 0.00 0.00 66.02 62.36 2ora s SER 68 CO 0.63 -0.64 1.45 1.55 1.20 0.00 0.00 173.24 177.44 2ora h PRO 69 N 0.63 0.00 -6.82 5.44 0.13 -1.89 -3.46 132.00 126.02 2ora h PRO 69 Ca -0.46 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.22 2ora h PRO 69 Cb 1.19 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.36 2ora h PRO 69 CO 0.62 0.00 -0.03 0.71 -0.23 0.00 0.00 178.00 179.07 2ora s TYR 70 N -3.21 3.03 0.08 1.56 2.02 -1.26 -5.08 117.35 114.49 2ora s TYR 70 Ca 0.06 0.15 -0.27 0.00 -0.37 0.00 0.00 57.07 56.63 2ora s TYR 70 Cb 0.10 -2.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.00 2ora s TYR 70 CO 0.69 -0.70 0.86 -1.21 -1.57 0.00 0.00 175.55 173.63 2ora s GLU 71 N -4.72 4.60 -1.23 -0.62 2.02 -1.26 -4.47 118.70 113.02 2ora s GLU 71 Ca 0.54 1.26 -0.24 0.00 0.02 0.00 0.00 54.97 56.55 2ora s GLU 71 Cb -0.10 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.78 2ora s GLU 71 CO 0.39 0.25 0.64 0.28 0.02 0.00 0.00 175.26 176.84 2ora n VAL 72 N 2.79 -3.77 -3.40 2.63 0.31 -1.26 -4.85 118.33 110.78 2ora n VAL 72 Ca -0.00 -0.72 -0.33 0.00 -0.01 0.00 0.00 64.34 63.28 2ora n VAL 72 Cb 0.50 -2.97 -0.06 0.00 -0.91 0.00 0.00 33.84 30.40 2ora n VAL 72 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2ora s MET 73 N -6.83 3.86 0.42 5.55 -1.94 -1.26 -4.92 119.30 114.18 2ora s MET 73 Ca 0.40 0.35 -0.25 0.00 -1.71 0.00 0.00 55.69 54.48 2ora s MET 73 Cb -0.19 -2.77 -0.10 0.00 2.01 0.00 0.00 34.83 33.78 2ora s MET 73 CO 0.93 0.39 1.10 1.28 -0.01 0.00 0.00 175.02 178.71 2ora n LEU 74 N 0.27 3.14 0.00 -0.03 4.77 -1.26 -0.15 117.00 123.74 2ora n LEU 74 Ca -0.02 1.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.91 2ora n LEU 74 Cb 0.52 -1.41 0.08 0.00 -2.33 0.00 0.00 43.42 40.29 2ora n LEU 74 CO 0.44 -1.19 0.32 -0.81 -1.33 0.00 0.00 177.39 174.82 2ora n PRO 75 N 0.08 -0.62 -2.62 3.23 -0.04 -1.26 -3.62 135.00 130.15 2ora n PRO 75 Ca 0.09 -0.77 -0.23 0.00 -0.04 0.00 0.00 63.50 62.55 2ora n PRO 75 Cb 0.39 -0.53 0.09 0.00 -0.04 0.00 0.00 33.50 33.41 2ora n PRO 75 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ora s SER 76 N -2.83 4.62 0.20 3.54 1.04 -1.26 -4.81 113.70 114.20 2ora s SER 76 Ca 0.28 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.28 2ora s SER 76 Cb -0.01 -0.21 0.23 0.00 0.10 0.00 0.00 66.02 66.13 2ora s SER 76 CO 0.20 -1.66 1.65 -0.33 0.98 0.00 0.00 173.24 174.08 2ora h GLU 77 N -0.35 0.04 -0.63 4.02 5.08 -1.96 0.12 114.58 120.90 2ora h GLU 77 Ca -0.37 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2ora h GLU 77 Cb 1.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2ora h GLU 77 CO 0.43 0.02 0.12 0.00 -1.00 0.00 0.00 179.01 178.59 2ora h ALA 78 N 1.57 0.83 -0.47 3.43 0.00 -1.91 -0.07 119.26 122.63 2ora h ALA 78 Ca 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2ora h ALA 78 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2ora h ALA 78 CO -0.57 0.58 0.17 0.78 0.00 0.00 0.00 179.25 180.21 2ora h GLY 79 N 0.94 0.77 0.88 0.00 0.00 -1.62 -0.72 103.07 103.32 2ora h GLY 79 Ca 0.19 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2ora h GLY 79 CO 0.01 0.41 -0.08 -2.75 0.00 0.00 0.00 176.54 174.13 2ora h PHE 80 N 0.62 -0.21 -0.73 5.60 3.57 -0.55 -1.92 116.94 123.32 2ora h PHE 80 Ca 0.15 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.74 2ora h PHE 80 Cb 0.23 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 2ora h PHE 80 CO 0.01 -0.03 0.39 0.00 -2.23 0.00 0.00 178.31 176.44 2ora h ALA 81 N 0.46 1.00 -0.52 2.41 0.00 -0.91 -0.89 119.26 120.82 2ora h ALA 81 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2ora h ALA 81 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ora h ALA 81 CO 0.04 0.01 0.32 -0.44 0.00 0.00 0.00 179.25 179.18 2ora h ASP 82 N 0.67 0.53 0.89 0.00 5.19 -1.00 0.23 116.42 122.94 2ora h ASP 82 Ca 0.35 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.71 2ora h ASP 82 Cb 0.32 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.72 2ora h ASP 82 CO -0.24 0.38 -0.43 0.22 -3.12 0.00 0.00 179.24 176.05 2ora h TYR 83 N 0.65 -1.11 -0.67 4.55 3.20 -0.48 -2.62 116.97 120.50 2ora h TYR 83 Ca 0.20 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.08 2ora h TYR 83 Cb -0.01 0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 2ora h TYR 83 CO -0.06 -0.68 0.40 0.28 -1.64 0.00 0.00 178.16 176.46 2ora h VAL 84 N -1.28 1.05 -0.72 1.81 2.07 -1.18 -1.83 116.25 116.18 2ora h VAL 84 Ca -0.12 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.21 2ora h VAL 84 Cb 0.92 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2ora h VAL 84 CO 0.20 0.14 0.47 1.23 0.02 0.00 0.00 177.57 179.63 2ora h GLY 85 N 0.78 0.91 2.00 2.17 0.00 -0.52 -0.64 103.07 107.76 2ora h GLY 85 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ora h GLY 85 CO -0.13 0.19 0.00 1.48 0.00 0.00 0.00 176.54 178.08 2ora h SER 86 N 0.68 0.00 -0.36 0.19 4.64 -0.93 -0.30 113.55 117.46 2ora h SER 86 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2ora h SER 86 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2ora h SER 86 CO -0.11 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.03 2ora n LEU 87 N -2.37 2.65 -1.16 5.97 7.99 -0.28 -4.69 117.00 125.10 2ora n LEU 87 Ca 0.03 -1.33 -0.11 0.00 -0.01 0.00 0.00 56.01 54.59 2ora n LEU 87 Cb 0.32 -0.39 -0.01 0.00 -0.11 0.00 0.00 43.42 43.23 2ora n LEU 87 CO 0.25 0.50 -0.13 0.61 -1.51 0.00 0.00 177.39 177.10 2ora n GLY 88 N 0.83 0.12 3.72 -0.72 0.00 -0.67 -4.83 105.19 103.63 2ora n GLY 88 Ca 0.14 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2ora n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ora s ILE 89 N -2.51 4.95 0.48 -0.61 1.01 -0.99 -4.64 121.20 118.89 2ora s ILE 89 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.68 2ora s ILE 89 Cb 0.00 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2ora s ILE 89 CO 0.00 0.53 0.06 -0.55 0.00 0.00 0.00 174.94 174.98 2ora s SER 90 N -0.23 3.60 0.37 3.58 0.15 -1.26 -4.10 113.70 115.82 2ora s SER 90 Ca 0.09 -1.69 0.26 0.00 0.70 0.00 0.00 55.95 55.30 2ora s SER 90 Cb -0.12 0.59 1.32 0.00 -1.71 0.00 0.00 66.02 66.10 2ora s SER 90 CO 0.01 -0.92 1.79 0.78 1.20 0.00 0.00 173.24 176.10 2ora h ASN 91 N 1.50 0.00 0.08 5.45 2.35 -1.92 -1.85 115.58 121.18 2ora h ASN 91 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2ora h ASN 91 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2ora h ASN 91 CO 0.66 0.00 -0.50 0.47 -1.65 0.00 0.00 177.43 176.40 2ora n ASP 92 N -2.41 1.52 -4.76 5.81 8.00 -1.26 -4.98 116.55 118.47 2ora n ASP 92 Ca -0.01 -1.20 -0.41 0.00 0.71 0.00 0.00 54.79 53.89 2ora n ASP 92 Cb 0.09 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 2ora n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ora s THR 93 N -2.60 3.20 -0.22 -3.53 2.01 -0.70 -4.90 115.64 108.91 2ora s THR 93 Ca 0.18 1.18 -0.19 0.00 0.31 0.00 0.00 61.69 63.16 2ora s THR 93 Cb 0.18 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2ora s THR 93 CO 0.61 0.27 0.57 -2.28 -0.69 0.00 0.00 174.62 173.10 2ora s HIS 94 N -1.00 3.34 -0.18 4.92 2.46 -0.05 -4.81 115.29 119.97 2ora s HIS 94 Ca 0.47 0.81 -0.05 0.00 0.47 0.00 0.00 55.06 56.76 2ora s HIS 94 Cb -0.35 -2.75 -0.03 0.00 -0.13 0.00 0.00 32.58 29.32 2ora s HIS 94 CO 0.45 -0.19 -0.01 0.08 -2.47 0.00 0.00 174.74 172.60 2ora s VAL 95 N 1.99 4.03 -0.14 0.89 1.01 -0.94 -2.06 120.40 125.18 2ora s VAL 95 Ca 0.25 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2ora s VAL 95 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2ora s VAL 95 CO 0.10 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 2ora s VAL 96 N 0.64 3.83 0.03 2.92 1.01 0.81 -0.44 120.40 129.19 2ora s VAL 96 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.65 2ora s VAL 96 Cb -0.14 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2ora s VAL 96 CO 0.02 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 2ora s VAL 97 N 0.16 1.52 0.19 2.92 1.01 0.45 0.05 120.40 126.70 2ora s VAL 97 Ca -0.02 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 2ora s VAL 97 Cb -0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2ora s VAL 97 CO 0.03 0.23 0.30 -0.72 0.00 0.00 0.00 175.10 174.94 2ora s TYR 98 N -0.70 0.51 0.13 5.22 -0.85 -0.12 -1.01 117.35 120.53 2ora s TYR 98 Ca 0.06 -0.85 -0.01 0.00 -0.52 0.00 0.00 57.07 55.76 2ora s TYR 98 Cb -0.08 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 2ora s TYR 98 CO 0.01 -0.76 0.04 0.16 -1.52 0.00 0.00 175.55 173.48 2ora s ASP 99 N -3.01 0.43 -0.08 -0.18 1.47 -1.26 0.34 116.67 114.38 2ora s ASP 99 Ca 0.22 -1.19 0.15 0.00 1.18 0.00 0.00 52.55 52.90 2ora s ASP 99 Cb 0.03 0.27 0.57 0.00 -0.34 0.00 0.00 42.92 43.45 2ora s ASP 99 CO 0.04 -0.70 1.45 0.61 0.68 0.00 0.00 175.17 177.24 2ora n GLY 100 N -0.10 2.13 3.64 2.12 0.00 -1.26 -2.50 105.19 109.22 2ora n GLY 100 Ca -0.06 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2ora n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ora n ASP 101 N 0.90 1.67 0.16 1.61 2.03 -1.26 -4.76 116.55 116.90 2ora n ASP 101 Ca 0.20 1.03 0.13 0.00 0.52 0.00 0.00 54.79 56.68 2ora n ASP 101 Cb 0.71 -1.41 0.54 0.00 -0.72 0.00 0.00 41.12 40.24 2ora n ASP 101 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2ora h ASP 102 N 1.60 0.00 1.71 1.67 3.32 -1.96 -1.78 116.42 120.98 2ora h ASP 102 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2ora h ASP 102 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2ora h ASP 102 CO 0.57 0.00 -0.05 0.25 -1.72 0.00 0.00 179.24 178.30 2ora h LEU 103 N 0.00 0.00 0.00 1.55 7.12 -1.96 -3.47 115.31 118.54 2ora h LEU 103 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2ora h LEU 103 Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 2ora h LEU 103 CO 0.00 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.92 2ora n GLY 104 N 1.20 1.90 3.64 3.75 0.00 -0.67 -4.11 105.19 110.90 2ora n GLY 104 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 2ora n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ora s SER 105 N 0.04 -0.69 0.12 1.61 0.15 -1.26 -3.42 113.70 110.24 2ora s SER 105 Ca 0.00 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2ora s SER 105 Cb 0.00 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 2ora s SER 105 CO 0.00 -0.18 0.00 0.33 1.20 0.00 0.00 173.24 174.59 2ora n PHE 106 N 3.64 -0.95 0.10 3.44 -0.00 -1.26 -4.93 117.46 117.50 2ora n PHE 106 Ca -0.18 0.17 0.07 0.00 -0.00 0.00 0.00 57.45 57.50 2ora n PHE 106 Cb 0.58 0.43 -0.00 0.00 -0.00 0.00 0.00 39.48 40.49 2ora n PHE 106 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 2ora h TYR 107 N 0.00 0.00 -0.79 -5.13 -1.99 -1.91 -3.39 116.97 103.76 2ora h TYR 107 Ca 0.00 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.85 2ora h TYR 107 Cb 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.65 2ora h TYR 107 CO 0.00 0.26 0.40 0.00 -0.00 0.00 0.00 178.16 178.82 2ora h ALA 108 N 1.74 1.15 0.00 3.88 0.00 -1.85 0.05 119.26 124.23 2ora h ALA 108 Ca -0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ora h ALA 108 Cb 1.25 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ora h ALA 108 CO 0.02 -0.06 -0.09 -1.35 0.00 0.00 0.00 179.25 177.78 2ora h PRO 109 N 0.62 0.00 -0.42 0.00 0.11 -1.93 -1.62 132.00 128.77 2ora h PRO 109 Ca 0.41 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.44 2ora h PRO 109 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2ora h PRO 109 CO -0.32 0.09 -0.07 -0.09 -0.21 0.00 0.00 178.00 177.40 2ora h ARG 110 N 0.00 0.79 -0.14 1.05 9.65 -1.21 -1.14 114.38 123.37 2ora h ARG 110 Ca -0.00 -0.29 -0.13 0.00 -1.10 0.00 0.00 59.98 58.46 2ora h ARG 110 Cb 0.23 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2ora h ARG 110 CO 0.01 0.90 -0.49 0.28 2.80 0.00 0.00 179.97 183.47 2ora h VAL 111 N 0.62 1.33 0.37 0.20 2.07 -1.12 -0.43 116.25 119.29 2ora h VAL 111 Ca 0.11 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 2ora h VAL 111 Cb 0.58 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2ora h VAL 111 CO 0.03 0.52 -0.33 -0.25 0.02 0.00 0.00 177.57 177.57 2ora h TRP 112 N 0.30 -0.88 -0.70 1.57 7.01 -1.09 -1.64 115.95 120.52 2ora h TRP 112 Ca 0.02 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.11 2ora h TRP 112 Cb 0.97 0.34 -0.07 0.00 -2.10 0.00 0.00 29.16 28.29 2ora h TRP 112 CO 0.03 -0.47 0.34 2.35 -2.79 0.00 0.00 178.44 177.89 2ora h TRP 113 N -0.71 0.60 -0.46 2.65 7.01 -0.96 -1.58 115.95 122.50 2ora h TRP 113 Ca -0.03 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.01 2ora h TRP 113 Cb 0.63 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 2ora h TRP 113 CO -0.17 0.21 0.30 0.52 -2.79 0.00 0.00 178.44 176.51 2ora h MET 114 N 0.58 0.58 -0.28 2.65 2.86 -0.66 0.89 114.93 121.54 2ora h MET 114 Ca 0.35 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 2ora h MET 114 Cb 0.37 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2ora h MET 114 CO -0.27 0.38 -0.01 0.74 1.06 0.00 0.00 176.91 178.81 2ora h PHE 115 N 0.60 0.55 -0.31 -0.22 0.04 -0.34 -2.76 116.94 114.50 2ora h PHE 115 Ca 0.17 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.86 2ora h PHE 115 Cb -0.04 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 2ora h PHE 115 CO -0.00 0.66 0.17 0.00 -0.60 0.00 0.00 178.31 178.53 2ora h ARG 116 N 0.28 0.33 -0.00 1.51 3.08 -0.90 -1.10 114.38 117.59 2ora h ARG 116 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2ora h ARG 116 Cb 0.44 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2ora h ARG 116 CO 0.02 0.22 0.00 -0.24 -1.07 0.00 0.00 179.97 178.90 2ora h VAL 117 N 0.34 0.35 -0.56 2.04 3.04 -0.84 0.23 116.25 120.86 2ora h VAL 117 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 2ora h VAL 117 Cb 0.02 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2ora h VAL 117 CO -0.07 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.98 2ora n PHE 118 N -3.59 1.41 -0.70 3.17 3.72 -0.80 0.12 117.46 120.78 2ora n PHE 118 Ca -0.03 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 2ora n PHE 118 Cb 0.08 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 2ora n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ora n GLY 119 N 0.96 0.68 3.47 1.37 0.00 0.82 -0.74 105.19 111.75 2ora n GLY 119 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2ora n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ora s HIS 120 N -2.20 3.22 -0.53 1.61 5.04 -0.48 -4.93 115.29 117.02 2ora s HIS 120 Ca 0.00 -0.48 -0.00 0.00 -1.54 0.00 0.00 55.06 53.04 2ora s HIS 120 Cb 0.00 -2.47 0.14 0.00 0.04 0.00 0.00 32.58 30.29 2ora s HIS 120 CO 0.00 -0.47 0.31 -0.98 -2.34 0.00 0.00 174.74 171.26 2ora s ARG 121 N 1.66 2.19 0.00 2.88 3.03 -1.26 -3.52 118.95 123.93 2ora s ARG 121 Ca 0.05 -2.36 0.00 0.00 2.03 0.00 0.00 55.73 55.45 2ora s ARG 121 Cb -0.18 -3.54 0.00 0.00 -1.03 0.00 0.00 34.95 30.20 2ora s ARG 121 CO 0.09 -1.11 0.00 0.25 -1.13 0.00 0.00 175.30 173.40 2ora n THR 122 N 3.67 0.00 -3.59 4.99 -2.24 -1.26 -4.72 114.28 111.13 2ora n THR 122 Ca 0.05 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.68 2ora n THR 122 Cb 0.37 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 2ora n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ora s VAL 123 N 0.00 0.00 0.21 2.28 0.11 -1.26 -2.21 120.40 119.52 2ora s VAL 123 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2ora s VAL 123 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2ora s VAL 123 CO 0.00 0.00 0.33 -0.44 -3.33 0.00 0.00 175.10 171.66 2ora s SER 124 N -0.28 0.01 -0.05 3.54 0.01 0.42 -4.53 113.70 112.82 2ora s SER 124 Ca -0.04 -1.00 -0.00 0.00 1.31 0.00 0.00 55.95 56.22 2ora s SER 124 Cb -0.03 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 2ora s SER 124 CO 0.04 -0.99 -0.01 -0.69 0.41 0.00 0.00 173.24 172.00 2ora s VAL 125 N -4.03 4.17 -0.55 3.43 1.01 0.36 -0.41 120.40 124.38 2ora s VAL 125 Ca 0.24 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2ora s VAL 125 Cb 0.02 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2ora s VAL 125 CO 0.06 0.50 1.69 -0.22 0.00 0.00 0.00 175.10 177.14 2ora s LEU 126 N -1.17 3.36 0.14 3.92 0.20 -0.18 -2.23 118.68 122.71 2ora s LEU 126 Ca 0.16 0.48 -0.33 0.00 0.69 0.00 0.00 54.13 55.13 2ora s LEU 126 Cb -0.11 -2.88 -0.13 0.00 -0.43 0.00 0.00 46.19 42.64 2ora s LEU 126 CO 0.06 -2.03 1.69 -3.20 -0.29 0.00 0.00 176.35 172.57 2ora n ASN 127 N 11.21 3.49 0.00 3.68 5.15 0.49 -1.00 115.26 138.28 2ora n ASN 127 Ca 0.18 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.21 2ora n ASN 127 Cb 0.50 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.28 2ora n ASN 127 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ora n GLY 128 N 3.79 2.52 4.49 8.20 0.00 -1.23 -4.46 105.19 118.49 2ora n GLY 128 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 2ora n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ora n GLY 129 N -2.00 -1.25 0.36 -0.02 0.00 -0.17 -2.30 105.19 99.81 2ora n GLY 129 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.10 2ora n GLY 129 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ora h PHE 130 N -0.56 0.98 -0.73 1.61 3.57 -1.77 -1.64 116.94 118.40 2ora h PHE 130 Ca 0.01 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.67 2ora h PHE 130 Cb 0.55 -0.32 -0.14 0.00 2.79 0.00 0.00 35.95 38.83 2ora h PHE 130 CO 0.00 0.47 -0.28 -0.09 -2.23 0.00 0.00 178.31 176.18 2ora h ARG 131 N 0.93 -0.06 -0.00 1.11 2.43 -1.79 0.16 114.38 117.14 2ora h ARG 131 Ca 0.40 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.35 2ora h ARG 131 Cb 0.34 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2ora h ARG 131 CO -0.17 -0.04 -0.95 -0.91 -1.51 0.00 0.00 179.97 176.39 2ora h ASN 132 N -0.07 0.58 -0.67 -3.80 4.21 -0.90 -2.04 115.58 112.89 2ora h ASN 132 Ca 0.31 -0.46 0.11 0.00 1.21 0.00 0.00 56.30 57.48 2ora h ASN 132 Cb 0.57 -0.18 -0.08 0.00 -1.12 0.00 0.00 38.32 37.51 2ora h ASN 132 CO -0.78 1.26 0.25 -0.25 -1.29 0.00 0.00 177.43 176.62 2ora h TRP 133 N 0.25 0.44 0.13 1.19 2.91 -0.33 -1.66 115.95 118.88 2ora h TRP 133 Ca -0.08 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 2ora h TRP 133 Cb 1.58 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 30.14 2ora h TRP 133 CO 0.06 0.09 -0.06 -0.07 -1.03 0.00 0.00 178.44 177.43 2ora h LEU 134 N 0.43 -0.14 -1.00 0.65 4.07 -0.76 -2.83 115.31 115.72 2ora h LEU 134 Ca 0.35 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.63 2ora h LEU 134 Cb 0.47 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.18 2ora h LEU 134 CO -0.35 -0.10 0.68 0.29 -1.08 0.00 0.00 178.44 177.89 2ora n LYS 135 N -2.50 -0.01 0.00 1.13 5.02 -0.77 0.38 118.16 121.41 2ora n LYS 135 Ca -0.02 0.72 0.13 0.00 -2.02 0.00 0.00 58.31 57.12 2ora n LYS 135 Cb 0.07 -1.52 0.46 0.00 -0.02 0.00 0.00 35.03 34.02 2ora n LYS 135 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ora n GLU 136 N -3.59 0.64 -1.07 1.97 1.02 -0.65 -4.96 120.64 114.00 2ora n GLU 136 Ca 0.26 -0.31 -0.02 0.00 -0.02 0.00 0.00 57.16 57.06 2ora n GLU 136 Cb 1.08 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 31.00 2ora n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ora n GLY 137 N 1.34 0.58 3.78 0.62 0.00 1.23 -5.01 105.19 107.74 2ora n GLY 137 Ca 0.12 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2ora n GLY 137 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ora s HIS 138 N -2.05 2.75 0.28 1.61 3.76 -1.08 -4.94 115.29 115.61 2ora s HIS 138 Ca 0.00 1.48 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 2ora s HIS 138 Cb 0.00 -3.00 -0.11 0.00 1.11 0.00 0.00 32.58 30.58 2ora s HIS 138 CO 0.00 -1.64 1.62 -1.25 -0.85 0.00 0.00 174.74 172.62 2ora s PRO 139 N -4.96 4.12 0.19 8.40 0.04 -1.26 -4.86 135.00 136.67 2ora s PRO 139 Ca 0.60 2.59 0.07 0.00 0.04 0.00 0.00 61.00 64.30 2ora s PRO 139 Cb -0.16 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 2ora s PRO 139 CO 0.56 -0.66 -0.13 0.14 0.04 0.00 0.00 177.00 176.94 2ora s VAL 140 N 0.24 1.61 0.16 -0.36 -7.23 -1.26 -4.25 120.40 109.31 2ora s VAL 140 Ca 0.66 -2.18 -0.21 0.00 -1.81 0.00 0.00 61.98 58.44 2ora s VAL 140 Cb -0.48 -2.00 0.06 0.00 0.56 0.00 0.00 36.38 34.52 2ora s VAL 140 CO 0.45 -0.63 0.56 0.28 -0.31 0.00 0.00 175.10 175.44 2ora s THR 141 N -3.05 0.02 -0.84 5.32 -1.32 -0.60 -4.87 115.64 110.28 2ora s THR 141 Ca 0.21 -0.24 0.09 0.00 -1.21 0.00 0.00 61.69 60.53 2ora s THR 141 Cb 0.00 -1.14 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 2ora s THR 141 CO 0.05 -0.08 0.62 -1.54 -2.21 0.00 0.00 174.62 171.46 2ora n SER 142 N -0.35 1.23 -4.74 8.08 3.41 -1.22 -0.95 113.62 119.07 2ora n SER 142 Ca -0.15 -1.11 -0.39 0.00 -0.26 0.00 0.00 58.87 56.95 2ora n SER 142 Cb 0.64 0.38 0.04 0.00 -0.26 0.00 0.00 64.21 65.01 2ora n SER 142 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ora n GLU 143 N -0.14 1.73 -2.36 4.33 1.02 -1.26 -4.88 120.64 119.08 2ora n GLU 143 Ca 0.04 0.63 -0.34 0.00 -0.02 0.00 0.00 57.16 57.47 2ora n GLU 143 Cb 0.19 -2.56 -0.02 0.00 -0.02 0.00 0.00 31.44 29.03 2ora n GLU 143 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2ora s PRO 144 N -2.81 3.59 -0.13 3.49 0.04 -1.26 -4.91 135.00 133.01 2ora s PRO 144 Ca 0.70 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 2ora s PRO 144 Cb -0.42 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2ora s PRO 144 CO 0.50 -0.61 0.01 -1.12 0.04 0.00 0.00 177.00 175.82 2ora s SER 145 N -2.14 5.26 -0.40 6.66 0.01 -1.26 -4.98 113.70 116.85 2ora s SER 145 Ca 0.67 0.06 0.08 0.00 1.31 0.00 0.00 55.95 58.08 2ora s SER 145 Cb -0.18 -1.70 0.25 0.00 0.21 0.00 0.00 66.02 64.60 2ora s SER 145 CO 0.25 0.27 0.56 0.54 0.41 0.00 0.00 173.24 175.27 2ora n ARG 146 N 2.87 0.72 -1.24 12.44 5.12 -1.26 -5.02 116.66 130.29 2ora n ARG 146 Ca -0.18 -3.09 -0.34 0.00 -1.93 0.00 0.00 57.85 52.31 2ora n ARG 146 Cb 0.53 -1.24 0.12 0.00 -1.16 0.00 0.00 32.46 30.70 2ora n ARG 146 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2ora s PRO 147 N -1.04 1.82 0.40 5.56 0.04 -1.26 -4.95 135.00 135.56 2ora s PRO 147 Ca 0.35 1.83 -0.23 0.00 0.04 0.00 0.00 61.00 62.98 2ora s PRO 147 Cb 0.18 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.84 2ora s PRO 147 CO -0.12 -2.10 1.01 -2.00 0.04 0.00 0.00 177.00 173.83 2ora s GLU 148 N -3.98 4.22 0.50 4.56 2.56 -1.26 -4.72 118.70 120.58 2ora s GLU 148 Ca 0.75 1.38 -0.21 0.00 0.00 0.00 0.00 54.97 56.89 2ora s GLU 148 Cb -0.31 -2.47 -0.07 0.00 2.00 0.00 0.00 34.13 33.28 2ora s GLU 148 CO 0.48 -0.07 1.13 -1.25 -0.56 0.00 0.00 175.26 174.99 2ora s PRO 149 N -2.62 3.61 0.44 4.30 0.04 -1.26 -3.83 135.00 135.68 2ora s PRO 149 Ca 0.58 1.64 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2ora s PRO 149 Cb -0.18 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2ora s PRO 149 CO 0.23 -0.64 0.03 0.00 0.04 0.00 0.00 177.00 176.65 2ora s ALA 150 N -1.70 3.39 -0.17 8.56 0.00 -0.21 -4.90 121.76 126.73 2ora s ALA 150 Ca 0.68 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 2ora s ALA 150 Cb -0.25 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2ora s ALA 150 CO 0.29 -0.13 -0.02 -1.50 0.00 0.00 0.00 175.76 174.40 2ora s ILE 151 N -2.90 4.03 -0.04 0.00 -1.16 -1.26 -4.47 121.20 115.39 2ora s ILE 151 Ca 0.23 -0.31 0.04 0.00 -0.51 0.00 0.00 60.65 60.10 2ora s ILE 151 Cb 0.06 -2.78 0.00 0.00 0.61 0.00 0.00 42.46 40.35 2ora s ILE 151 CO 0.12 0.48 -0.15 0.12 -2.81 0.00 0.00 174.94 172.70 2ora s PHE 152 N 0.47 1.50 -0.26 3.50 2.19 -1.26 -3.99 117.98 120.13 2ora s PHE 152 Ca -0.02 -0.44 -0.06 0.00 0.33 0.00 0.00 56.93 56.74 2ora s PHE 152 Cb -0.14 -1.03 -0.01 0.00 -1.31 0.00 0.00 43.02 40.53 2ora s PHE 152 CO 0.02 -0.16 0.05 0.21 1.83 0.00 0.00 175.22 177.17 2ora s LYS 153 N 0.14 3.41 -0.16 10.12 2.36 -1.26 -4.78 119.74 129.57 2ora s LYS 153 Ca -0.05 -0.64 -0.07 0.00 -2.55 0.00 0.00 55.97 52.67 2ora s LYS 153 Cb -0.11 -3.27 -0.04 0.00 -1.05 0.00 0.00 37.83 33.36 2ora s LYS 153 CO 0.02 -0.27 0.07 0.00 1.55 0.00 0.00 175.35 176.71 2ora s ALA 154 N 1.55 3.47 -0.10 3.13 0.00 -1.26 -4.93 121.76 123.61 2ora s ALA 154 Ca 0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2ora s ALA 154 Cb -0.16 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.13 2ora s ALA 154 CO 0.02 0.31 -0.00 0.99 0.00 0.00 0.00 175.76 177.07 2ora s THR 155 N -0.04 0.51 0.27 0.00 2.01 0.08 -4.90 115.64 113.58 2ora s THR 155 Ca 0.07 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 2ora s THR 155 Cb -0.12 -0.72 -0.11 0.00 0.01 0.00 0.00 72.50 71.56 2ora s THR 155 CO 0.01 0.18 1.55 -0.22 -0.69 0.00 0.00 174.62 175.46 2ora s LEU 156 N 1.91 4.36 -0.71 4.42 2.96 -1.26 -2.28 118.68 128.07 2ora s LEU 156 Ca 0.04 2.86 0.03 0.00 -0.22 0.00 0.00 54.13 56.84 2ora s LEU 156 Cb -0.13 -3.63 0.17 0.00 0.50 0.00 0.00 46.19 43.10 2ora s LEU 156 CO -0.06 -0.85 0.52 0.21 -1.32 0.00 0.00 176.35 174.84 2ora s ASN 157 N 0.50 5.02 0.49 3.68 3.04 0.31 -4.91 114.94 123.08 2ora s ASN 157 Ca 0.63 -3.66 0.44 0.00 0.04 0.00 0.00 52.86 50.30 2ora s ASN 157 Cb -0.46 -1.71 1.55 0.00 -1.54 0.00 0.00 41.25 39.10 2ora s ASN 157 CO 0.46 -0.14 1.42 0.54 -3.04 0.00 0.00 177.10 176.34 2ora n ARG 158 N 2.28 -0.00 0.27 0.43 5.12 -1.26 -0.50 116.66 123.00 2ora n ARG 158 Ca 0.17 1.01 0.17 0.00 -1.93 0.00 0.00 57.85 57.27 2ora n ARG 158 Cb 0.35 -2.28 0.63 0.00 -1.16 0.00 0.00 32.46 30.01 2ora n ARG 158 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2ora h SER 159 N 0.00 0.00 -0.56 0.55 0.87 -1.96 -2.84 113.55 109.60 2ora h SER 159 Ca 0.85 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.41 2ora h SER 159 Cb 3.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 65.29 2ora h SER 159 CO -0.07 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.41 2ora n LEU 160 N -3.08 3.10 -4.09 2.23 4.77 0.35 -4.59 117.00 115.69 2ora n LEU 160 Ca 0.01 -1.55 -0.20 0.00 -0.03 0.00 0.00 56.01 54.24 2ora n LEU 160 Cb 0.33 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 2ora n LEU 160 CO 0.28 0.75 -0.45 -0.22 -1.33 0.00 0.00 177.39 176.41 2ora s LEU 161 N -1.05 2.09 -0.01 2.23 2.96 -1.07 -1.07 118.68 122.75 2ora s LEU 161 Ca 0.38 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 2ora s LEU 161 Cb 0.20 -0.57 -0.00 0.00 0.50 0.00 0.00 46.19 46.32 2ora s LEU 161 CO 0.25 0.08 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.73 2ora s LYS 162 N -0.67 0.85 0.45 1.98 -0.14 -0.58 -4.80 119.74 116.82 2ora s LYS 162 Ca 0.03 -0.33 0.08 0.00 -1.36 0.00 0.00 55.97 54.38 2ora s LYS 162 Cb -0.06 -0.81 0.02 0.00 -1.68 0.00 0.00 37.83 35.30 2ora s LYS 162 CO 0.00 0.18 0.58 0.95 -0.76 0.00 0.00 175.35 176.30 2ora s THR 163 N -0.09 2.75 0.14 2.17 -4.23 -1.26 -3.53 115.64 111.59 2ora s THR 163 Ca 0.01 -1.07 -0.23 0.00 -1.18 0.00 0.00 61.69 59.22 2ora s THR 163 Cb -0.05 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.98 2ora s THR 163 CO -0.00 0.00 1.63 0.22 -0.54 0.00 0.00 174.62 175.93 2ora h TYR 164 N 0.62 -0.69 -0.97 3.99 3.20 -2.00 -0.87 116.97 120.24 2ora h TYR 164 Ca -0.38 0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.63 2ora h TYR 164 Cb 1.28 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.81 2ora h TYR 164 CO 0.44 -0.34 0.62 1.05 -1.64 0.00 0.00 178.16 178.30 2ora h GLU 165 N -0.29 0.97 -0.25 1.82 9.09 -1.99 -0.46 114.58 123.47 2ora h GLU 165 Ca 0.12 -0.06 -0.14 0.00 0.05 0.00 0.00 59.36 59.33 2ora h GLU 165 Cb 0.48 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 2ora h GLU 165 CO -0.37 0.64 -0.44 1.96 0.05 0.00 0.00 179.01 180.86 2ora h GLN 166 N 1.00 0.61 -0.23 1.06 4.20 -1.69 -2.29 115.11 117.77 2ora h GLN 166 Ca 0.46 -0.33 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 2ora h GLN 166 Cb 0.42 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2ora h GLN 166 CO -0.22 0.93 -0.53 0.28 -0.67 0.00 0.00 178.83 178.62 2ora h VAL 167 N 0.50 1.30 -0.50 -0.54 2.07 -0.51 -2.37 116.25 116.20 2ora h VAL 167 Ca 0.04 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2ora h VAL 167 Cb 0.96 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2ora h VAL 167 CO 0.09 0.55 0.27 0.25 0.02 0.00 0.00 177.57 178.75 2ora h LEU 168 N 0.52 0.63 -0.84 2.57 5.85 -0.97 -2.43 115.31 120.63 2ora h LEU 168 Ca 0.02 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 2ora h LEU 168 Cb 1.09 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2ora h LEU 168 CO 0.11 0.54 0.16 -0.33 -0.34 0.00 0.00 178.44 178.57 2ora h GLU 169 N 0.66 1.02 -0.23 1.25 5.08 -1.39 -0.96 114.58 120.02 2ora h GLU 169 Ca 0.18 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2ora h GLU 169 Cb 0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2ora h GLU 169 CO -0.03 0.90 0.28 -0.97 -1.00 0.00 0.00 179.01 178.20 2ora h ASN 170 N 0.97 0.00 -0.08 1.42 -0.73 -1.05 1.44 115.58 117.55 2ora h ASN 170 Ca 0.21 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 2ora h ASN 170 Cb 0.34 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 2ora h ASN 170 CO 0.00 0.00 0.02 -0.07 -0.37 0.00 0.00 177.43 177.01 2ora h LEU 171 N 0.00 0.18 0.03 0.34 3.38 -0.70 0.49 115.31 119.02 2ora h LEU 171 Ca 0.11 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 2ora h LEU 171 Cb 0.66 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2ora h LEU 171 CO -0.00 0.20 -1.72 -0.62 0.09 0.00 0.00 178.44 176.39 2ora n GLU 172 N -4.44 0.62 0.00 1.13 -0.58 0.46 -4.54 120.64 113.30 2ora n GLU 172 Ca -0.01 0.43 -0.14 0.00 -0.42 0.00 0.00 57.16 57.02 2ora n GLU 172 Cb 0.14 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 2ora n GLU 172 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2ora h SER 173 N -0.68 0.76 -2.81 1.62 4.64 -0.66 -3.47 113.55 112.95 2ora h SER 173 Ca -0.44 -0.48 -0.34 0.00 -0.47 0.00 0.00 61.79 60.05 2ora h SER 173 Cb 1.57 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2ora h SER 173 CO -0.16 1.26 -0.46 0.29 -0.87 0.00 0.00 176.83 176.88 2ora n LYS 174 N -3.91 -2.09 0.12 4.77 5.02 0.17 -4.88 118.16 117.36 2ora n LYS 174 Ca -0.06 0.82 -0.01 0.00 -2.02 0.00 0.00 58.31 57.04 2ora n LYS 174 Cb 0.71 -5.30 0.06 0.00 -0.02 0.00 0.00 35.03 30.49 2ora n LYS 174 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ora h ARG 175 N -0.31 0.00 -6.63 1.97 3.08 -1.92 -3.45 114.38 107.11 2ora h ARG 175 Ca -0.42 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 58.97 2ora h ARG 175 Cb 1.30 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.17 2ora h ARG 175 CO 0.48 0.68 -0.80 -0.06 -1.07 0.00 0.00 179.97 179.20 2ora s PHE 176 N -3.11 2.44 0.09 3.04 0.40 -1.26 -4.47 117.98 115.10 2ora s PHE 176 Ca 0.01 -0.31 -0.21 0.00 -0.60 0.00 0.00 56.93 55.82 2ora s PHE 176 Cb 0.10 -1.24 -0.07 0.00 0.51 0.00 0.00 43.02 42.33 2ora s PHE 176 CO 0.76 0.46 0.64 -0.65 0.70 0.00 0.00 175.22 177.13 2ora s GLN 177 N -2.52 4.34 -0.28 0.44 -0.21 -0.49 -4.87 119.66 116.07 2ora s GLN 177 Ca 0.20 0.88 -0.06 0.00 0.02 0.00 0.00 55.36 56.40 2ora s GLN 177 Cb -0.09 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.66 2ora s GLN 177 CO 0.11 0.57 0.06 -1.17 -2.12 0.00 0.00 175.29 172.74 2ora s LEU 178 N -0.96 3.67 -0.14 2.90 2.96 -1.26 0.96 118.68 126.81 2ora s LEU 178 Ca 0.32 -0.64 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2ora s LEU 178 Cb -0.20 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 2ora s LEU 178 CO 0.21 -0.15 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 2ora s VAL 179 N 1.50 2.50 -0.25 1.68 1.01 0.23 -0.88 120.40 126.18 2ora s VAL 179 Ca 0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2ora s VAL 179 Cb -0.17 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2ora s VAL 179 CO 0.01 0.53 0.23 -0.62 0.00 0.00 0.00 175.10 175.26 2ora s ASP 180 N 0.63 6.16 0.00 3.32 -1.08 0.43 -1.28 116.67 124.86 2ora s ASP 180 Ca -0.10 0.17 0.15 0.00 -0.52 0.00 0.00 52.55 52.26 2ora s ASP 180 Cb -0.16 -2.14 0.47 0.00 -1.46 0.00 0.00 42.92 39.63 2ora s ASP 180 CO 0.03 -0.01 1.37 -1.54 0.52 0.00 0.00 175.17 175.54 2ora n SER 181 N 4.59 2.03 -4.86 -0.34 3.41 -0.88 0.43 113.62 117.99 2ora n SER 181 Ca -0.13 -1.91 -0.29 0.00 -0.26 0.00 0.00 58.87 56.27 2ora n SER 181 Cb 0.52 -0.22 0.09 0.00 -0.26 0.00 0.00 64.21 64.34 2ora n SER 181 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2ora s ARG 182 N -1.57 1.96 0.53 4.33 0.52 -1.26 -1.51 118.95 121.95 2ora s ARG 182 Ca 0.29 0.27 -0.22 0.00 -0.52 0.00 0.00 55.73 55.54 2ora s ARG 182 Cb 0.15 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 2ora s ARG 182 CO 0.21 -1.63 1.33 0.00 0.02 0.00 0.00 175.30 175.23 2ora s ALA 183 N -3.43 2.85 0.28 2.13 0.00 -1.26 -4.04 121.76 118.29 2ora s ALA 183 Ca 0.62 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.88 2ora s ALA 183 Cb -0.12 -3.54 0.67 0.00 0.00 0.00 0.00 23.12 20.13 2ora s ALA 183 CO 0.51 -1.26 1.73 0.37 0.00 0.00 0.00 175.76 177.11 2ora h GLN 184 N 1.56 0.53 -0.53 0.00 4.15 -1.97 -1.07 115.11 117.78 2ora h GLN 184 Ca -0.51 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 58.98 2ora h GLN 184 Cb 1.29 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 2ora h GLN 184 CO 0.58 0.35 0.08 0.78 -1.93 0.00 0.00 178.83 178.69 2ora h GLY 185 N 0.55 0.63 1.54 2.39 0.00 -1.94 0.94 103.07 107.18 2ora h GLY 185 Ca 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.71 2ora h GLY 185 CO -0.44 -0.10 -0.58 3.21 0.00 0.00 0.00 176.54 178.63 2ora h ARG 186 N 0.21 0.48 -0.35 4.80 3.08 -1.57 0.18 114.38 121.20 2ora h ARG 186 Ca 0.27 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2ora h ARG 186 Cb 0.39 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2ora h ARG 186 CO -0.38 0.92 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.41 2ora h TYR 187 N 0.36 0.79 0.00 3.04 5.03 0.27 -1.38 116.97 125.07 2ora h TYR 187 Ca 0.00 -0.18 -0.11 0.00 2.58 0.00 0.00 58.73 61.03 2ora h TYR 187 Cb 1.11 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.19 2ora h TYR 187 CO 0.04 0.86 -0.50 -0.07 -1.32 0.00 0.00 178.16 177.17 2ora h LEU 188 N 0.48 0.00 0.00 2.82 3.38 0.95 -3.22 115.31 119.72 2ora h LEU 188 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ora h LEU 188 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2ora h LEU 188 CO 0.04 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.68 2ora n GLY 189 N 0.14 0.61 0.14 0.83 0.00 0.43 -1.00 105.19 106.34 2ora n GLY 189 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2ora n GLY 189 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ora h THR 190 N 0.00 1.45 -2.96 2.61 2.02 -1.21 -3.43 112.91 111.38 2ora h THR 190 Ca 0.00 -2.21 -0.62 0.00 0.77 0.00 0.00 66.41 64.35 2ora h THR 190 Cb 0.00 2.18 -0.14 0.00 -1.74 0.00 0.00 68.15 68.45 2ora h THR 190 CO 0.00 0.64 -0.72 -1.10 0.37 0.00 0.00 175.52 174.71 2ora s GLN 191 N -3.56 2.08 0.43 6.66 -1.52 -0.85 -4.99 119.66 117.92 2ora s GLN 191 Ca -0.02 -1.27 -0.09 0.00 -1.95 0.00 0.00 55.36 52.03 2ora s GLN 191 Cb 0.12 -2.16 -0.05 0.00 -0.22 0.00 0.00 33.01 30.69 2ora s GLN 191 CO 0.79 0.43 0.78 -1.25 -0.25 0.00 0.00 175.29 175.79 2ora s PRO 192 N -2.87 3.70 0.04 2.91 0.04 -1.26 -4.22 135.00 133.34 2ora s PRO 192 Ca 0.25 0.39 -0.25 0.00 0.04 0.00 0.00 61.00 61.44 2ora s PRO 192 Cb -0.09 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 2ora s PRO 192 CO 0.15 -0.10 0.77 -1.21 0.04 0.00 0.00 177.00 176.65 2ora s GLU 193 N -4.16 4.49 0.49 4.56 0.41 -1.26 -4.92 118.70 118.32 2ora s GLU 193 Ca 0.50 1.06 -0.05 0.00 -0.41 0.00 0.00 54.97 56.07 2ora s GLU 193 Cb -0.10 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.85 2ora s GLU 193 CO 0.36 0.26 0.80 -1.25 -0.49 0.00 0.00 175.26 174.94 2ora s PRO 194 N 0.03 3.46 -1.53 0.39 0.04 -1.26 -4.48 135.00 131.64 2ora s PRO 194 Ca 0.39 0.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.48 2ora s PRO 194 Cb -0.20 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 32.05 2ora s PRO 194 CO 0.23 -0.26 0.81 -0.25 0.04 0.00 0.00 177.00 177.56 2ora n ASP 195 N -2.29 -3.24 -3.66 6.66 9.92 -1.26 -4.95 116.55 117.72 2ora n ASP 195 Ca 0.01 -0.88 -0.11 0.00 -0.53 0.00 0.00 54.79 53.28 2ora n ASP 195 Cb 0.55 -3.48 -0.08 0.00 -0.64 0.00 0.00 41.12 37.47 2ora n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ora s ALA 196 N -3.45 -1.59 -0.20 2.24 0.00 -1.26 -5.13 121.76 112.37 2ora s ALA 196 Ca 0.50 1.95 -0.26 0.00 0.00 0.00 0.00 51.96 54.15 2ora s ALA 196 Cb -0.26 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 2ora s ALA 196 CO 0.86 -0.32 0.88 0.08 0.00 0.00 0.00 175.76 177.26 2ora s VAL 197 N 0.90 4.82 -1.44 0.00 1.01 -1.26 -3.97 120.40 120.46 2ora s VAL 197 Ca -0.05 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2ora s VAL 197 Cb -0.05 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2ora s VAL 197 CO -0.08 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2ora n GLY 198 N 3.52 1.17 3.55 4.51 0.00 -1.26 -4.98 105.19 111.70 2ora n GLY 198 Ca 0.06 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2ora n GLY 198 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ora s LEU 199 N -3.36 4.39 0.54 0.99 2.96 -1.25 -5.07 118.68 117.88 2ora s LEU 199 Ca 0.00 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 2ora s LEU 199 Cb 0.00 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2ora s LEU 199 CO 0.00 -0.19 0.88 -1.81 -1.32 0.00 0.00 176.35 173.92 2ora s ASP 200 N 1.73 6.17 0.55 3.68 1.01 -1.26 -4.32 116.67 124.23 2ora s ASP 200 Ca 0.06 1.07 0.09 0.00 0.71 0.00 0.00 52.55 54.49 2ora s ASP 200 Cb -0.17 -2.26 0.07 0.00 1.01 0.00 0.00 42.92 41.57 2ora s ASP 200 CO 0.11 -0.74 0.74 -0.94 0.21 0.00 0.00 175.17 174.55 2ora s SER 201 N -4.16 5.16 0.00 0.27 1.04 -1.26 -4.75 113.70 109.99 2ora s SER 201 Ca 0.51 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2ora s SER 201 Cb -0.11 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2ora s SER 201 CO 0.48 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2ora n GLY 202 N -2.16 0.73 3.30 7.32 0.00 -0.53 -4.72 105.19 109.13 2ora n GLY 202 Ca 0.14 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 2ora n GLY 202 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ora s HIS 203 N -1.26 0.47 0.43 1.61 -3.43 0.95 -4.61 115.29 109.46 2ora s HIS 203 Ca 0.00 -0.84 -0.25 0.00 -0.80 0.00 0.00 55.06 53.17 2ora s HIS 203 Cb 0.00 -0.13 -0.08 0.00 -1.43 0.00 0.00 32.58 30.94 2ora s HIS 203 CO 0.00 -0.68 1.27 0.42 -2.00 0.00 0.00 174.74 173.75 2ora s ILE 204 N -3.98 2.69 0.46 -5.38 1.01 -1.26 -0.32 121.20 114.42 2ora s ILE 204 Ca 0.18 0.58 -0.24 0.00 0.00 0.00 0.00 60.65 61.16 2ora s ILE 204 Cb 0.04 -3.32 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 2ora s ILE 204 CO -0.00 0.05 1.33 -0.13 0.00 0.00 0.00 174.94 176.19 2ora s ARG 205 N -2.43 3.68 0.00 2.79 0.52 0.12 -2.44 118.95 121.19 2ora s ARG 205 Ca 0.60 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.99 2ora s ARG 205 Cb -0.36 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.54 2ora s ARG 205 CO 0.45 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.44 2ora n GLY 206 N 0.63 0.96 3.82 -3.53 0.00 -1.26 -5.03 105.19 100.78 2ora n GLY 206 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2ora n GLY 206 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ora s SER 207 N -2.94 5.47 0.02 1.61 0.01 -1.02 -4.59 113.70 112.27 2ora s SER 207 Ca 0.00 1.66 0.08 0.00 1.31 0.00 0.00 55.95 59.00 2ora s SER 207 Cb 0.00 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2ora s SER 207 CO 0.00 -1.38 -0.22 -0.69 0.41 0.00 0.00 173.24 171.36 2ora s VAL 208 N -2.91 1.80 -0.18 3.43 1.01 -0.06 -4.96 120.40 118.52 2ora s VAL 208 Ca 0.59 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2ora s VAL 208 Cb -0.14 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2ora s VAL 208 CO 0.51 0.34 0.04 0.21 0.00 0.00 0.00 175.10 176.20 2ora s ASN 209 N -0.96 5.46 -0.47 3.32 2.47 -1.26 0.16 114.94 123.66 2ora s ASN 209 Ca 0.09 0.04 0.04 0.00 0.42 0.00 0.00 52.86 53.44 2ora s ASN 209 Cb -0.09 -1.93 0.16 0.00 -1.45 0.00 0.00 41.25 37.94 2ora s ASN 209 CO 0.01 0.17 0.35 -0.04 -3.72 0.00 0.00 177.10 173.87 2ora s MET 210 N 0.38 1.24 -0.12 0.43 -1.94 0.17 -4.90 119.30 114.55 2ora s MET 210 Ca 0.02 -2.27 -0.39 0.00 -1.71 0.00 0.00 55.69 51.34 2ora s MET 210 Cb -0.13 -1.93 -0.16 0.00 2.01 0.00 0.00 34.83 34.62 2ora s MET 210 CO 0.01 -1.32 1.58 -2.30 -0.01 0.00 0.00 175.02 172.97 2ora n PRO 211 N 2.87 1.17 -0.32 2.03 -0.02 -1.26 -4.16 135.00 135.31 2ora n PRO 211 Ca 0.23 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2ora n PRO 211 Cb 0.42 -2.10 0.30 0.00 -0.02 0.00 0.00 33.50 32.11 2ora n PRO 211 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2ora h PHE 212 N 6.14 0.87 0.00 6.00 -0.00 -1.52 -1.65 116.94 126.78 2ora h PHE 212 Ca -0.47 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 2ora h PHE 212 Cb 1.32 -0.24 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 2ora h PHE 212 CO 0.70 0.12 0.08 0.52 -0.00 0.00 0.00 178.31 179.72 2ora h MET 213 N 0.60 0.00 0.00 6.09 0.00 -1.88 -1.04 114.93 118.70 2ora h MET 213 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 59.70 60.26 2ora h MET 213 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.53 2ora h MET 213 CO -0.43 0.00 0.00 0.09 0.00 0.00 0.00 176.91 176.57 2ora n ASN 214 N -3.01 0.18 -0.27 1.22 3.02 -0.62 -2.29 115.26 113.49 2ora n ASN 214 Ca -0.03 0.54 0.13 0.00 -0.03 0.00 0.00 54.58 55.19 2ora n ASN 214 Cb 0.14 -0.58 0.34 0.00 -0.61 0.00 0.00 39.78 39.07 2ora n ASN 214 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2ora n PHE 215 N -1.69 0.00 -4.21 3.10 3.72 -0.39 -4.91 117.46 113.07 2ora n PHE 215 Ca 0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.14 2ora n PHE 215 Cb 0.19 -0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 38.52 2ora n PHE 215 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2ora s LEU 216 N -2.50 3.14 0.64 4.37 1.43 -0.97 -1.73 118.68 123.06 2ora s LEU 216 Ca 0.24 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2ora s LEU 216 Cb 0.19 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.53 2ora s LEU 216 CO 0.53 0.16 0.97 0.42 0.23 0.00 0.00 176.35 178.66 2ora s THR 217 N -1.31 3.29 0.44 5.49 -4.23 0.15 -4.86 115.64 114.62 2ora s THR 217 Ca 0.23 0.04 0.20 0.00 -1.18 0.00 0.00 61.69 60.97 2ora s THR 217 Cb -0.11 -3.35 0.39 0.00 1.34 0.00 0.00 72.50 70.77 2ora s THR 217 CO 0.15 -0.39 1.87 -0.08 -0.54 0.00 0.00 174.62 175.63 2ora h GLU 218 N -0.38 0.33 -0.00 3.99 4.81 -1.96 0.74 114.58 122.11 2ora h GLU 218 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2ora h GLU 218 Cb 1.27 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2ora h GLU 218 CO 0.61 0.22 -0.01 -0.25 -0.73 0.00 0.00 179.01 178.85 2ora n ASP 219 N -4.47 0.04 0.00 1.04 8.00 -1.26 -4.90 116.55 115.00 2ora n ASP 219 Ca 0.19 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2ora n ASP 219 Cb 0.72 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2ora n ASP 219 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ora n GLY 220 N 1.32 0.94 3.87 0.44 0.00 0.26 -4.88 105.19 107.13 2ora n GLY 220 Ca 0.13 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2ora n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ora s PHE 221 N -2.00 3.20 0.44 1.61 0.08 -1.26 -3.56 117.98 116.50 2ora s PHE 221 Ca 0.00 -0.09 -0.23 0.00 0.12 0.00 0.00 56.93 56.73 2ora s PHE 221 Cb 0.00 -1.45 -0.08 0.00 -0.57 0.00 0.00 43.02 40.92 2ora s PHE 221 CO 0.00 0.50 1.13 -2.00 -0.10 0.00 0.00 175.22 174.74 2ora s GLU 222 N -3.88 3.87 0.94 0.44 2.56 -1.26 0.34 118.70 121.70 2ora s GLU 222 Ca 0.33 1.69 -0.13 0.00 0.00 0.00 0.00 54.97 56.86 2ora s GLU 222 Cb -0.08 -2.43 0.15 0.00 2.00 0.00 0.00 34.13 33.78 2ora s GLU 222 CO 0.26 -0.44 1.14 0.15 -0.56 0.00 0.00 175.26 175.82 2ora s LYS 223 N -2.67 0.91 0.34 4.30 1.02 -0.71 -4.73 119.74 118.21 2ora s LYS 223 Ca 0.62 0.23 -0.08 0.00 0.02 0.00 0.00 55.97 56.77 2ora s LYS 223 Cb -0.26 -1.82 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 2ora s LYS 223 CO 0.32 -2.34 0.66 -1.54 -0.92 0.00 0.00 175.35 171.52 2ora s SER 224 N -4.04 6.48 0.30 2.83 1.04 -1.26 -4.82 113.70 114.23 2ora s SER 224 Ca 0.65 0.91 0.01 0.00 0.48 0.00 0.00 55.95 58.00 2ora s SER 224 Cb -0.14 -2.23 0.72 0.00 0.10 0.00 0.00 66.02 64.47 2ora s SER 224 CO 0.54 -0.29 1.58 -0.65 0.98 0.00 0.00 173.24 175.40 2ora h PRO 225 N 1.49 0.03 -0.63 4.02 0.11 -1.95 1.79 132.00 136.86 2ora h PRO 225 Ca -0.47 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2ora h PRO 225 Cb 1.19 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2ora h PRO 225 CO 0.65 0.02 0.23 0.93 -0.21 0.00 0.00 178.00 179.62 2ora h GLU 226 N 0.03 0.93 -0.19 1.05 3.07 -1.97 0.18 114.58 117.69 2ora h GLU 226 Ca 0.58 -0.16 -0.19 0.00 -0.50 0.00 0.00 59.36 59.09 2ora h GLU 226 Cb 1.17 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2ora h GLU 226 CO -0.88 0.78 -0.63 0.93 -1.40 0.00 0.00 179.01 177.80 2ora h GLU 227 N 0.91 0.68 0.23 2.33 5.08 0.22 -2.00 114.58 122.04 2ora h GLU 227 Ca 0.21 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2ora h GLU 227 Cb 0.21 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ora h GLU 227 CO -0.02 1.10 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.83 2ora h LEU 228 N 0.50 -0.50 -0.34 1.33 3.38 0.19 -0.86 115.31 119.02 2ora h LEU 228 Ca -0.01 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2ora h LEU 228 Cb 1.22 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 2ora h LEU 228 CO 0.13 -0.29 -0.22 -0.09 0.09 0.00 0.00 178.44 178.05 2ora h ARG 229 N -0.44 -0.17 -0.85 1.13 9.65 -0.67 0.11 114.38 123.14 2ora h ARG 229 Ca -0.01 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2ora h ARG 229 Cb 0.40 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 2ora h ARG 229 CO -0.02 -0.12 0.55 0.00 2.80 0.00 0.00 179.97 183.19 2ora h ALA 230 N 0.98 1.55 0.30 2.80 0.00 -1.06 -1.98 119.26 121.85 2ora h ALA 230 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2ora h ALA 230 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ora h ALA 230 CO -0.44 0.34 -0.15 0.52 0.00 0.00 0.00 179.25 179.52 2ora h MET 231 N 0.97 -0.39 -0.89 0.00 2.86 0.61 0.72 114.93 118.81 2ora h MET 231 Ca 0.36 0.03 0.12 0.00 -2.06 0.00 0.00 59.70 58.15 2ora h MET 231 Cb 0.17 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 2ora h MET 231 CO -0.12 -0.19 0.57 0.74 1.06 0.00 0.00 176.91 178.97 2ora h PHE 232 N -0.51 0.89 -0.38 -0.22 0.04 -0.87 -2.07 116.94 113.83 2ora h PHE 232 Ca -0.04 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2ora h PHE 232 Cb 0.38 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2ora h PHE 232 CO -0.03 0.36 0.04 1.49 -0.60 0.00 0.00 178.31 179.57 2ora h GLU 233 N 0.78 0.64 0.00 1.51 4.81 -1.01 0.26 114.58 121.57 2ora h GLU 233 Ca 0.43 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2ora h GLU 233 Cb 0.58 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2ora h GLU 233 CO -0.20 0.72 -0.05 0.00 -0.73 0.00 0.00 179.01 178.75 2ora h ALA 234 N 0.90 1.17 0.00 2.92 0.00 -0.19 -0.37 119.26 123.69 2ora h ALA 234 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ora h ALA 234 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ora h ALA 234 CO 0.01 0.06 -0.39 1.63 0.00 0.00 0.00 179.25 180.56 2ora n LYS 235 N -3.40 0.14 -2.02 0.00 4.01 -0.90 -4.96 118.16 111.03 2ora n LYS 235 Ca -0.02 0.06 -0.08 0.00 -0.51 0.00 0.00 58.31 57.76 2ora n LYS 235 Cb 0.19 -1.61 -0.01 0.00 -0.51 0.00 0.00 35.03 33.09 2ora n LYS 235 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2ora n LYS 236 N -1.83 -0.65 -3.76 1.97 4.76 -0.15 -5.00 118.16 113.51 2ora n LYS 236 Ca 0.05 0.46 -0.36 0.00 -2.87 0.00 0.00 58.31 55.59 2ora n LYS 236 Cb 0.39 -4.41 -0.11 0.00 -1.84 0.00 0.00 35.03 29.05 2ora n LYS 236 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ora s VAL 237 N -2.40 4.81 -0.32 -0.18 1.01 -0.08 -5.02 120.40 118.22 2ora s VAL 237 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2ora s VAL 237 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 2ora s VAL 237 CO 0.00 0.34 0.48 -0.62 0.00 0.00 0.00 175.10 175.31 2ora s ASP 238 N 1.31 6.32 0.00 3.32 -1.08 -1.26 -4.29 116.67 120.99 2ora s ASP 238 Ca 0.06 0.10 0.10 0.00 -0.52 0.00 0.00 52.55 52.29 2ora s ASP 238 Cb -0.15 -2.26 0.48 0.00 -1.46 0.00 0.00 42.92 39.54 2ora s ASP 238 CO 0.05 -0.39 1.26 0.18 0.52 0.00 0.00 175.17 176.79 2ora n LEU 239 N 5.62 0.00 -0.20 -1.34 4.77 -1.26 -1.72 117.00 122.88 2ora n LEU 239 Ca -0.05 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 2ora n LEU 239 Cb 0.49 -0.38 0.39 0.00 -2.33 0.00 0.00 43.42 41.60 2ora n LEU 239 CO 0.43 -0.25 0.66 0.35 -1.33 0.00 0.00 177.39 177.25 2ora n THR 240 N -1.38 0.00 -4.24 -5.08 -2.24 -1.26 -4.89 114.28 95.19 2ora n THR 240 Ca 0.04 -0.10 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 2ora n THR 240 Cb 0.10 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 2ora n THR 240 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ora s LYS 241 N -2.56 2.34 0.64 -0.78 1.02 -0.70 -5.10 119.74 114.61 2ora s LYS 241 Ca 0.23 -1.21 -0.18 0.00 0.02 0.00 0.00 55.97 54.83 2ora s LYS 241 Cb 0.19 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2ora s LYS 241 CO 0.53 0.42 0.99 -2.30 -0.92 0.00 0.00 175.35 174.08 2ora n PRO 242 N -0.35 0.82 -3.73 -1.68 -0.02 -1.26 -4.87 135.00 123.90 2ora n PRO 242 Ca -0.09 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.59 2ora n PRO 242 Cb 0.56 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 2ora n PRO 242 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ora s LEU 243 N -2.51 0.45 -0.02 2.45 0.20 -1.26 -1.40 118.68 116.59 2ora s LEU 243 Ca 0.77 0.81 0.06 0.00 0.69 0.00 0.00 54.13 56.46 2ora s LEU 243 Cb -0.39 1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 46.75 2ora s LEU 243 CO 0.46 -0.15 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.55 2ora s ILE 244 N 0.19 1.60 -0.07 6.68 1.01 0.27 -2.03 121.20 128.85 2ora s ILE 244 Ca -0.00 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.82 2ora s ILE 244 Cb -0.03 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2ora s ILE 244 CO 0.01 0.45 -0.11 0.00 0.00 0.00 0.00 174.94 175.29 2ora s ALA 245 N -0.35 2.78 0.11 9.38 0.00 -0.56 -0.60 121.76 132.52 2ora s ALA 245 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2ora s ALA 245 Cb -0.09 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2ora s ALA 245 CO 0.00 0.52 0.08 -0.08 0.00 0.00 0.00 175.76 176.28 2ora s THR 246 N -0.60 0.13 0.08 0.00 -1.32 -0.40 -1.25 115.64 112.28 2ora s THR 246 Ca 0.09 -1.76 -0.24 0.00 -1.21 0.00 0.00 61.69 58.57 2ora s THR 246 Cb -0.11 -1.84 -0.15 0.00 -1.51 0.00 0.00 72.50 68.88 2ora s THR 246 CO 0.01 -0.58 1.71 -0.09 -2.21 0.00 0.00 174.62 173.47 2ora h ARG 248 N 2.88 -0.04 0.00 7.08 9.65 -1.95 -2.34 114.38 129.66 2ora h ARG 248 Ca -0.34 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.43 2ora h ARG 248 Cb 1.19 0.01 -0.23 0.00 -1.39 0.00 0.00 29.97 29.55 2ora h ARG 248 CO 0.59 -0.00 -0.81 0.36 2.80 0.00 0.00 179.97 182.91 2ora n LYS 249 N -5.10 0.11 -1.39 0.20 2.85 -1.26 -1.03 118.16 112.55 2ora n LYS 249 Ca -0.07 -1.75 -0.07 0.00 -1.05 0.00 0.00 58.31 55.37 2ora n LYS 249 Cb 0.05 -0.28 -0.02 0.00 -0.65 0.00 0.00 35.03 34.13 2ora n LYS 249 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ora n GLY 250 N 0.20 0.72 0.03 2.58 0.00 -1.24 -4.71 105.19 102.78 2ora n GLY 250 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2ora n GLY 250 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ora n VAL 251 N -3.06 0.00 0.26 1.61 0.31 -1.26 -4.55 118.33 111.64 2ora n VAL 251 Ca -0.07 0.38 0.04 0.00 -0.01 0.00 0.00 64.34 64.68 2ora n VAL 251 Cb 0.29 -1.37 0.19 0.00 -0.91 0.00 0.00 33.84 32.04 2ora n VAL 251 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2ora n THR 252 N -2.28 1.43 0.29 2.52 -2.24 -1.26 -1.19 114.28 111.55 2ora n THR 252 Ca 0.00 0.38 0.15 0.00 -2.27 0.00 0.00 64.05 62.31 2ora n THR 252 Cb 0.00 -1.26 0.87 0.00 -2.10 0.00 0.00 70.33 67.85 2ora n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ora h ALA 253 N 2.25 1.33 0.00 6.98 0.00 -1.83 0.32 119.26 128.31 2ora h ALA 253 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ora h ALA 253 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ora h ALA 253 CO 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 179.25 179.24 2ora h HIS 255 N 0.00 0.21 -0.48 0.00 3.86 -1.10 -1.69 115.15 115.95 2ora h HIS 255 Ca -0.00 -0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.05 2ora h HIS 255 Cb 0.19 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2ora h HIS 255 CO 0.00 0.57 -0.13 0.82 0.86 0.00 0.00 177.93 180.06 2ora h ILE 256 N 0.15 1.26 -0.26 2.45 1.08 -1.12 -1.93 117.51 119.14 2ora h ILE 256 Ca 0.01 -1.25 -0.12 0.00 -0.39 0.00 0.00 64.86 63.11 2ora h ILE 256 Cb 0.81 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2ora h ILE 256 CO 0.06 0.43 -0.35 0.00 -0.69 0.00 0.00 178.15 177.61 2ora h ALA 257 N 1.05 0.91 -0.20 1.87 0.00 -1.36 -1.07 119.26 120.45 2ora h ALA 257 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2ora h ALA 257 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ora h ALA 257 CO 0.05 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.13 2ora h LEU 258 N 0.49 0.39 -0.96 0.00 6.46 -1.18 -0.53 115.31 119.97 2ora h LEU 258 Ca 0.05 -0.36 -0.08 0.00 -0.12 0.00 0.00 57.88 57.37 2ora h LEU 258 Cb 0.83 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 2ora h LEU 258 CO 0.07 0.66 -0.10 0.00 -0.62 0.00 0.00 178.44 178.45 2ora h ALA 259 N 0.74 1.13 -0.44 1.25 0.00 -1.27 0.10 119.26 120.78 2ora h ALA 259 Ca 0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2ora h ALA 259 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2ora h ALA 259 CO 0.02 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 2ora h ALA 260 N 1.30 1.02 0.06 0.00 0.00 -1.00 -2.31 119.26 118.33 2ora h ALA 260 Ca 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ora h ALA 260 Cb 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ora h ALA 260 CO 0.03 0.59 -0.03 -0.92 0.00 0.00 0.00 179.25 178.92 2ora h TYR 261 N 0.70 -0.08 -0.00 0.00 5.03 -0.50 0.32 116.97 122.45 2ora h TYR 261 Ca 0.12 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2ora h TYR 261 Cb 0.56 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 2ora h TYR 261 CO 0.03 -0.02 0.00 -0.07 -1.32 0.00 0.00 178.16 176.78 2ora h LEU 262 N -0.11 0.00 -2.30 2.82 3.38 -0.53 0.50 115.31 119.07 2ora h LEU 262 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ora h LEU 262 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ora h LEU 262 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2ora n GLY 264 N 1.20 0.71 3.10 0.00 0.00 0.17 -5.04 105.19 105.34 2ora n GLY 264 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2ora n GLY 264 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ora s LYS 265 N -0.69 1.94 -0.01 1.61 2.20 -0.03 -4.96 119.74 119.80 2ora s LYS 265 Ca 0.00 -1.85 0.13 0.00 -0.36 0.00 0.00 55.97 53.89 2ora s LYS 265 Cb 0.00 -3.53 0.40 0.00 -1.51 0.00 0.00 37.83 33.18 2ora s LYS 265 CO 0.00 -1.06 1.32 -0.35 -0.36 0.00 0.00 175.35 174.90 2ora n PRO 266 N 4.51 2.12 -0.92 4.03 -0.04 -1.26 -2.31 135.00 141.11 2ora n PRO 266 Ca -0.01 -1.61 -0.09 0.00 -0.04 0.00 0.00 63.50 61.75 2ora n PRO 266 Cb 0.41 -1.39 0.21 0.00 -0.04 0.00 0.00 33.50 32.70 2ora n PRO 266 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2ora n ASP 267 N 0.76 3.30 -4.72 3.54 5.75 -1.26 -4.97 116.55 118.94 2ora n ASP 267 Ca 0.15 -3.58 -0.42 0.00 -0.01 0.00 0.00 54.79 50.93 2ora n ASP 267 Cb 0.40 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 2ora n ASP 267 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ora s VAL 268 N -3.19 3.64 0.12 2.12 1.01 -1.26 -4.72 120.40 118.12 2ora s VAL 268 Ca 0.49 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.69 2ora s VAL 268 Cb 0.43 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2ora s VAL 268 CO 0.06 0.11 0.27 0.00 0.00 0.00 0.00 175.10 175.54 2ora s ALA 269 N 0.86 3.96 -0.14 5.51 0.00 -0.86 -4.83 121.76 126.26 2ora s ALA 269 Ca 0.60 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 2ora s ALA 269 Cb -0.33 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2ora s ALA 269 CO 0.31 0.64 -0.07 0.42 0.00 0.00 0.00 175.76 177.07 2ora s ILE 270 N -1.67 3.63 -0.94 0.00 1.01 -0.23 -1.50 121.20 121.51 2ora s ILE 270 Ca 0.35 -0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 2ora s ILE 270 Cb -0.12 -2.57 0.07 0.00 0.01 0.00 0.00 42.46 39.86 2ora s ILE 270 CO 0.28 0.51 1.31 -0.47 0.00 0.00 0.00 174.94 176.57 2ora s TYR 271 N 0.25 2.66 0.15 3.97 5.04 -0.38 -1.53 117.35 127.50 2ora s TYR 271 Ca -0.05 -0.86 -0.18 0.00 -2.44 0.00 0.00 57.07 53.54 2ora s TYR 271 Cb -0.14 -4.55 0.04 0.00 0.35 0.00 0.00 41.96 37.65 2ora s TYR 271 CO 0.04 -1.82 1.71 0.22 -1.34 0.00 0.00 175.55 174.35 2ora h ASP 272 N 9.57 -0.14 -0.54 4.32 3.58 -1.87 -2.88 116.42 128.46 2ora h ASP 272 Ca 0.09 0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.70 2ora h ASP 272 Cb 1.02 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 42.13 2ora h ASP 272 CO 1.31 -0.04 0.14 1.23 -2.88 0.00 0.00 179.24 179.01 2ora h GLY 273 N 0.08 0.69 0.00 -0.78 0.00 -1.89 -3.28 103.07 97.88 2ora h GLY 273 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2ora h GLY 273 CO -0.25 -0.06 0.00 1.44 0.00 0.00 0.00 176.54 177.67 2ora n SER 274 N -5.08 -3.78 -0.24 0.19 7.64 -1.09 -2.49 113.62 108.79 2ora n SER 274 Ca 0.07 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.97 2ora n SER 274 Cb 0.26 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.61 2ora n SER 274 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2ora h TRP 275 N 0.00 0.52 0.04 1.43 2.91 -1.88 0.86 115.95 119.83 2ora h TRP 275 Ca 0.00 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.08 2ora h TRP 275 Cb 0.00 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.48 2ora h TRP 275 CO 0.00 0.13 -0.28 0.35 -1.03 0.00 0.00 178.44 177.61 2ora h PHE 276 N 0.48 -0.75 -0.10 2.65 3.57 -1.18 -0.37 116.94 121.24 2ora h PHE 276 Ca 0.36 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 2ora h PHE 276 Cb 0.47 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 2ora h PHE 276 CO -0.15 -0.38 0.02 1.49 -2.23 0.00 0.00 178.31 177.07 2ora h GLU 277 N -0.45 0.16 -0.43 1.11 4.81 -1.14 -3.18 114.58 115.46 2ora h GLU 277 Ca 0.05 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2ora h GLU 277 Cb 0.51 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.78 2ora h GLU 277 CO -0.21 0.36 -0.30 2.35 -0.73 0.00 0.00 179.01 180.48 2ora h TRP 278 N -0.06 -0.80 -0.89 0.92 2.91 -0.41 -0.65 115.95 116.97 2ora h TRP 278 Ca 0.03 0.06 0.13 0.00 1.13 0.00 0.00 58.89 60.24 2ora h TRP 278 Cb 0.27 0.42 -0.07 0.00 -0.51 0.00 0.00 29.16 29.27 2ora h TRP 278 CO 0.01 -0.36 0.57 0.35 -1.03 0.00 0.00 178.44 177.99 2ora h PHE 279 N -0.21 0.87 0.00 2.65 3.57 -1.12 0.11 116.94 122.82 2ora h PHE 279 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2ora h PHE 279 Cb 0.52 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2ora h PHE 279 CO -0.53 0.35 -0.31 0.72 -2.23 0.00 0.00 178.31 176.31 2ora n HIS 280 N -4.56 0.36 -0.05 0.41 8.25 -0.58 -4.50 115.22 114.57 2ora n HIS 280 Ca 0.17 0.11 -0.07 0.00 -0.26 0.00 0.00 57.72 57.66 2ora n HIS 280 Cb 0.41 -0.58 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 2ora n HIS 280 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ora n ARG 281 N -1.84 0.23 -1.91 -0.41 1.74 -0.31 -5.06 116.66 109.08 2ora n ARG 281 Ca 0.05 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 2ora n ARG 281 Cb 0.39 -1.13 0.05 0.00 -1.02 0.00 0.00 32.46 30.74 2ora n ARG 281 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ora s ALA 282 N -2.18 2.91 0.50 7.54 0.00 -0.13 -5.02 121.76 125.37 2ora s ALA 282 Ca -0.13 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 2ora s ALA 282 Cb 0.04 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 2ora s ALA 282 CO 0.21 -1.15 1.20 -2.14 0.00 0.00 0.00 175.76 173.88 2ora s PRO 283 N -5.35 3.54 0.40 0.00 0.02 -1.26 -4.87 135.00 127.48 2ora s PRO 283 Ca 0.58 1.85 0.28 0.00 0.02 0.00 0.00 61.00 63.73 2ora s PRO 283 Cb -0.11 -2.30 1.40 0.00 0.02 0.00 0.00 34.50 33.51 2ora s PRO 283 CO 0.51 -0.76 1.85 -1.00 -0.33 0.00 0.00 177.00 177.28 2ora h PRO 284 N 1.76 0.00 0.00 5.54 0.13 -1.94 -2.10 132.00 135.39 2ora h PRO 284 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ora h PRO 284 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ora h PRO 284 CO 0.59 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 2ora n GLU 285 N -2.51 0.22 -0.05 0.86 4.71 -1.26 -3.01 120.64 119.59 2ora n GLU 285 Ca -0.01 0.37 0.10 0.00 -0.01 0.00 0.00 57.16 57.61 2ora n GLU 285 Cb 0.12 -1.86 0.42 0.00 -1.01 0.00 0.00 31.44 29.11 2ora n GLU 285 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2ora n THR 286 N -2.26 0.14 -4.10 2.62 -2.24 -0.79 -4.90 114.28 102.76 2ora n THR 286 Ca 0.03 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2ora n THR 286 Cb 0.28 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 2ora n THR 286 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2ora s TRP 287 N -1.86 0.78 0.03 4.78 1.48 -1.16 -0.71 118.94 122.28 2ora s TRP 287 Ca 0.30 -1.07 -0.03 0.00 -1.06 0.00 0.00 56.10 54.25 2ora s TRP 287 Cb 0.15 -0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 32.24 2ora s TRP 287 CO 0.24 -0.81 0.03 0.08 -4.06 0.00 0.00 176.95 172.43 2ora s VAL 288 N -4.09 0.14 0.05 -0.66 1.01 0.57 -4.83 120.40 112.59 2ora s VAL 288 Ca 0.31 -1.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2ora s VAL 288 Cb 0.03 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2ora s VAL 288 CO 0.10 -0.65 0.17 -0.55 0.00 0.00 0.00 175.10 174.17 2ora s SER 289 N -2.07 0.10 -0.88 3.32 0.15 -1.26 -0.03 113.70 113.02 2ora s SER 289 Ca -0.06 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.06 2ora s SER 289 Cb -0.02 0.29 0.17 0.00 -1.71 0.00 0.00 66.02 64.74 2ora s SER 289 CO -0.04 -0.60 2.39 1.67 1.20 0.00 0.00 173.24 177.86 2ora n GLN 290 N 0.47 3.62 0.00 5.44 -0.06 -0.17 -4.83 117.38 121.85 2ora n GLN 290 Ca -0.18 -3.24 0.00 0.00 -2.00 0.00 0.00 57.00 51.58 2ora n GLN 290 Cb 0.60 -2.37 0.00 0.00 -4.06 0.00 0.00 30.24 24.41 2ora n GLN 290 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ora n GLY 291 N 0.77 3.16 2.93 1.69 0.00 -1.26 -4.61 105.19 107.86 2ora n GLY 291 Ca 0.54 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2ora n GLY 291 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ora n LYS 292 N -1.20 -1.43 0.00 1.61 4.76 -1.26 -5.10 118.16 115.53 2ora n LYS 292 Ca 0.00 1.08 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 2ora n LYS 292 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2ora n LYS 292 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44