#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3s n ALA 2 N 0.00 0.00 -0.17 4.61 0.00 -1.26 -1.43 120.51 122.26 3g3s n ALA 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3g3s n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3g3s n ALA 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3g3s h GLU 3 N 0.00 0.80 -1.38 0.00 4.81 -2.06 -2.12 114.58 114.63 3g3s h GLU 3 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3g3s h GLU 3 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3g3s h GLU 3 CO 0.00 0.79 0.00 1.04 -0.73 0.00 0.00 179.01 180.11 3g3s n GLN 4 N -4.44 0.00 0.00 1.92 1.13 -0.52 -2.09 117.38 113.38 3g3s n GLN 4 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3g3s n GLN 4 Cb 0.24 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.30 3g3s n GLN 4 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3g3s n ARG 6 N 0.82 0.00 -0.10 -1.09 1.74 -0.80 -2.05 116.66 115.18 3g3s n ARG 6 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3g3s n ARG 6 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3g3s n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g3s h ARG 7 N 0.00 0.50 -0.38 5.56 2.47 -1.72 -2.98 114.38 117.84 3g3s h ARG 7 Ca 0.00 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.60 3g3s h ARG 7 Cb 0.00 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 3g3s h ARG 7 CO 0.00 0.59 0.24 0.28 0.56 0.00 0.00 179.97 181.64 3g3s h VAL 8 N 0.33 1.07 -0.57 2.04 2.07 -1.69 -1.94 116.25 117.55 3g3s h VAL 8 Ca 0.09 -0.17 0.14 0.00 0.82 0.00 0.00 66.70 67.58 3g3s h VAL 8 Cb 0.33 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3g3s h VAL 8 CO 0.00 0.09 0.40 0.00 0.02 0.00 0.00 177.57 178.08 3g3s h ALA 9 N 1.15 2.31 0.00 1.67 0.00 -1.83 0.95 119.26 123.51 3g3s h ALA 9 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3g3s h ALA 9 Cb -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3g3s h ALA 9 CO -0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 179.25 178.65 3g3s h ARG 10 N 0.17 0.00 -0.06 0.00 3.08 -1.20 -2.39 114.38 113.98 3g3s h ARG 10 Ca 0.27 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.24 3g3s h ARG 10 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3g3s h ARG 10 CO -0.04 0.10 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.55 3g3s h LEU 11 N 0.00 0.12 0.00 3.04 3.38 -0.82 -2.77 115.31 118.26 3g3s h LEU 11 Ca -0.00 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 3g3s h LEU 11 Cb 0.34 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3g3s h LEU 11 CO 0.01 0.45 -1.15 -0.26 0.09 0.00 0.00 178.44 177.58 3g3s h PHE 12 N 0.10 0.00 0.00 1.13 0.04 -1.51 -3.34 116.94 113.36 3g3s h PHE 12 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3g3s h PHE 12 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 3g3s h PHE 12 CO 0.01 0.97 0.00 0.41 -0.60 0.00 0.00 178.31 179.10 3g3s n GLY 13 N 1.39 3.10 3.42 -1.45 0.00 -1.05 -3.64 105.19 106.97 3g3s n GLY 13 Ca -0.04 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 3g3s n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3s s ASP 14 N -4.00 6.91 -0.34 1.61 -1.08 -1.26 -4.93 116.67 113.59 3g3s s ASP 14 Ca 0.00 -2.72 0.02 0.00 -0.52 0.00 0.00 52.55 49.33 3g3s s ASP 14 Cb 0.00 -2.34 0.10 0.00 -1.46 0.00 0.00 42.92 39.23 3g3s s ASP 14 CO 0.00 -0.75 0.09 0.86 0.52 0.00 0.00 175.17 175.89 3g3s s TRP 15 N 1.24 2.70 -1.35 -5.34 -0.11 -1.24 -5.03 118.94 109.80 3g3s s TRP 15 Ca 0.33 -2.39 -0.08 0.00 1.22 0.00 0.00 56.10 55.18 3g3s s TRP 15 Cb -0.06 -2.31 -0.06 0.00 -1.50 0.00 0.00 33.47 29.55 3g3s s TRP 15 CO -0.06 -0.90 2.90 -0.35 -4.62 0.00 0.00 176.95 173.92 3g3s n PRO 16 N 4.47 3.69 -3.72 5.86 -0.04 -1.26 -4.82 135.00 139.17 3g3s n PRO 16 Ca 0.01 -2.36 -0.38 0.00 -0.04 0.00 0.00 63.50 60.74 3g3s n PRO 16 Cb 0.41 -2.66 -0.12 0.00 -0.04 0.00 0.00 33.50 31.09 3g3s n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3g3s s GLU 17 N 1.18 3.28 0.58 0.54 0.41 -1.26 -5.00 118.70 118.43 3g3s s GLU 17 Ca 0.66 -0.74 0.28 0.00 -0.41 0.00 0.00 54.97 54.76 3g3s s GLU 17 Cb 0.20 -3.44 1.75 0.00 -1.78 0.00 0.00 34.13 30.86 3g3s s GLU 17 CO -0.07 -0.39 2.23 1.79 -0.49 0.00 0.00 175.26 178.33 3g3s h THR 18 N 5.73 0.57 -0.18 3.63 1.35 -1.98 -0.93 112.91 121.09 3g3s h THR 18 Ca -0.33 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.45 3g3s h THR 18 Cb 1.14 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3g3s h THR 18 CO 0.60 0.00 -0.23 0.40 -0.25 0.00 0.00 175.52 176.05 3g3s h ILE 19 N 0.00 1.24 -0.58 6.82 2.04 -1.96 -0.70 117.51 124.38 3g3s h ILE 19 Ca 0.01 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 3g3s h ILE 19 Cb 0.07 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3g3s h ILE 19 CO -0.00 0.35 0.02 0.40 0.00 0.00 0.00 178.15 178.92 3g3s h ILE 20 N 0.30 1.26 -0.70 -0.67 2.04 -1.53 -2.01 117.51 116.19 3g3s h ILE 20 Ca 0.05 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3g3s h ILE 20 Cb 0.57 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3g3s h ILE 20 CO 0.04 0.40 0.38 -0.50 0.00 0.00 0.00 178.15 178.46 3g3s h TRP 21 N 0.90 0.95 0.48 1.37 6.55 -1.10 -1.10 115.95 123.99 3g3s h TRP 21 Ca 0.17 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.97 3g3s h TRP 21 Cb 0.52 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 3g3s h TRP 21 CO 0.04 0.67 -0.23 1.15 -1.05 0.00 0.00 178.44 179.02 3g3s h THR 22 N 0.98 0.53 -0.94 1.49 2.02 -0.86 -0.25 112.91 115.89 3g3s h THR 22 Ca 0.25 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.46 3g3s h THR 22 Cb 0.03 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 3g3s h THR 22 CO -0.04 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.46 3g3s h LEU 24 N 1.17 0.03 -0.97 0.00 3.38 -1.03 -3.25 115.31 114.64 3g3s h LEU 24 Ca 0.38 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 3g3s h LEU 24 Cb 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3g3s h LEU 24 CO -0.13 0.68 -0.51 -0.33 0.09 0.00 0.00 178.44 178.23 3g3s h GLU 25 N 0.02 0.01 0.00 1.13 5.08 -0.74 -3.49 114.58 116.59 3g3s h GLU 25 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3g3s h GLU 25 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3g3s h GLU 25 CO 0.09 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.03 3g3s n GLY 26 N -0.05 2.81 0.02 -3.84 0.00 -1.11 -5.10 105.19 97.92 3g3s n GLY 26 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 3g3s n GLY 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g3s n THR 27 N -0.93 0.00 -0.59 2.61 -1.04 -1.26 -5.07 114.28 108.00 3g3s n THR 27 Ca 0.00 -0.01 0.08 0.00 -2.04 0.00 0.00 64.05 62.08 3g3s n THR 27 Cb 0.00 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.07 3g3s n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g3s n GLY 29 N 1.29 -0.77 3.46 3.41 0.00 -1.26 -5.14 105.19 106.18 3g3s n GLY 29 Ca 0.14 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 3g3s n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3s s ASP 30 N -3.52 0.39 -0.02 1.61 -1.08 -0.24 -4.88 116.67 108.94 3g3s s ASP 30 Ca 0.00 -1.26 -0.00 0.00 -0.52 0.00 0.00 52.55 50.77 3g3s s ASP 30 Cb 0.00 0.57 0.03 0.00 -1.46 0.00 0.00 42.92 42.06 3g3s s ASP 30 CO 0.00 -1.14 0.03 -0.63 0.52 0.00 0.00 175.17 173.95 3g3s s ILE 31 N -3.66 -0.05 0.08 4.11 -1.09 -1.26 -1.81 121.20 117.52 3g3s s ILE 31 Ca 0.29 0.18 0.08 0.00 -2.23 0.00 0.00 60.65 58.98 3g3s s ILE 31 Cb 0.01 -0.08 -0.03 0.00 -1.58 0.00 0.00 42.46 40.78 3g3s s ILE 31 CO 0.14 0.08 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.41 3g3s s TYR 32 N 0.91 1.80 0.25 3.97 1.51 -0.50 -4.98 117.35 120.31 3g3s s TYR 32 Ca -0.08 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3g3s s TYR 32 Cb -0.11 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.67 3g3s s TYR 32 CO -0.03 0.16 0.10 0.14 -1.11 0.00 0.00 175.55 174.81 3g3s s VAL 33 N -1.00 0.45 0.14 0.71 -7.23 -1.26 -0.93 120.40 111.28 3g3s s VAL 33 Ca 0.07 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 3g3s s VAL 33 Cb -0.09 -2.60 -0.17 0.00 0.56 0.00 0.00 36.38 34.07 3g3s s VAL 33 CO 0.03 -0.01 1.32 -2.24 -0.31 0.00 0.00 175.10 173.90 3g3s h ASP 34 N 2.43 0.49 -2.26 4.85 2.03 -1.79 -3.44 116.42 118.73 3g3s h ASP 34 Ca -0.38 -0.39 -0.14 0.00 -0.73 0.00 0.00 57.03 55.40 3g3s h ASP 34 Cb 1.25 -0.15 -0.29 0.00 -0.83 0.00 0.00 39.33 39.31 3g3s h ASP 34 CO 0.59 1.18 -0.44 -0.62 -1.03 0.00 0.00 179.24 178.93 3g3s s ASP 35 N -7.05 0.06 0.45 4.15 -1.08 -1.26 -5.04 116.67 106.89 3g3s s ASP 35 Ca -0.05 0.58 0.15 0.00 -0.52 0.00 0.00 52.55 52.71 3g3s s ASP 35 Cb 0.09 1.17 1.01 0.00 -1.46 0.00 0.00 42.92 43.73 3g3s s ASP 35 CO 0.86 -0.27 1.99 0.77 0.52 0.00 0.00 175.17 179.04 3g3s h SER 36 N 8.19 0.00 0.00 -0.34 4.64 -1.98 -0.66 113.55 123.41 3g3s h SER 36 Ca -0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.05 3g3s h SER 36 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3g3s h SER 36 CO 0.19 0.19 -0.39 1.56 -0.87 0.00 0.00 176.83 177.51 3g3s h GLN 37 N 0.00 0.26 -2.44 4.77 7.50 -1.99 -3.40 115.11 119.80 3g3s h GLN 37 Ca -0.00 -0.28 -0.59 0.00 0.50 0.00 0.00 58.65 58.27 3g3s h GLN 37 Cb 0.33 0.08 -0.40 0.00 0.05 0.00 0.00 27.48 27.54 3g3s h GLN 37 CO 0.02 1.00 -0.85 0.45 -1.50 0.00 0.00 178.83 177.95 3g3s n SER 38 N -4.39 1.09 -4.68 1.46 2.88 -1.16 -5.08 113.62 103.74 3g3s n SER 38 Ca -0.10 -2.79 -0.42 0.00 -1.33 0.00 0.00 58.87 54.22 3g3s n SER 38 Cb 0.57 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.37 3g3s n SER 38 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3g3s s PRO 39 N -0.92 4.32 0.00 -1.46 0.04 -0.26 -4.49 135.00 132.23 3g3s s PRO 39 Ca 0.32 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.04 3g3s s PRO 39 Cb 0.06 -3.61 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 3g3s s PRO 39 CO -0.15 -0.51 0.07 1.04 0.04 0.00 0.00 177.00 177.49 3g3s n GLN 40 N 5.54 6.42 -4.01 4.56 1.13 -1.26 -4.93 117.38 124.83 3g3s n GLN 40 Ca 0.12 -0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 55.02 3g3s n GLN 40 Cb 0.46 -0.58 -0.15 0.00 0.11 0.00 0.00 30.24 30.09 3g3s n GLN 40 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3g3s s SER 41 N -1.12 0.37 0.03 1.08 0.01 -1.26 -0.11 113.70 112.69 3g3s s SER 41 Ca 0.01 -0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 3g3s s SER 41 Cb 0.01 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 3g3s s SER 41 CO 0.06 -0.00 0.00 0.00 0.41 0.00 0.00 173.24 173.71 3g3s s ALA 42 N 0.26 0.14 -0.12 1.44 0.00 -0.19 -2.08 121.76 121.21 3g3s s ALA 42 Ca -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 3g3s s ALA 42 Cb -0.05 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3g3s s ALA 42 CO -0.01 -0.23 -0.08 -1.17 0.00 0.00 0.00 175.76 174.28 3g3s s LEU 43 N -1.85 1.29 -0.53 0.00 2.96 -0.10 -0.90 118.68 119.55 3g3s s LEU 43 Ca -0.10 -0.37 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 3g3s s LEU 43 Cb -0.05 -0.88 0.06 0.00 0.50 0.00 0.00 46.19 45.82 3g3s s LEU 43 CO -0.03 -0.12 0.69 0.00 -1.32 0.00 0.00 176.35 175.56 3g3s s ALA 44 N 1.68 3.35 -0.22 5.97 0.00 -0.20 -1.40 121.76 130.93 3g3s s ALA 44 Ca 0.04 -1.73 -0.07 0.00 0.00 0.00 0.00 51.96 50.20 3g3s s ALA 44 Cb -0.13 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 3g3s s ALA 44 CO -0.08 -2.12 0.07 -1.17 0.00 0.00 0.00 175.76 172.46 3g3s s LEU 45 N 2.87 3.60 -0.00 0.00 2.96 -0.75 -1.45 118.68 125.90 3g3s s LEU 45 Ca 0.17 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3g3s s LEU 45 Cb -0.19 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 3g3s s LEU 45 CO 0.12 0.04 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.68 3g3s s TYR 46 N 1.15 0.39 0.00 5.38 5.04 -0.63 -1.08 117.35 127.60 3g3s s TYR 46 Ca 0.05 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 3g3s s TYR 46 Cb -0.14 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 41.91 3g3s s TYR 46 CO 0.03 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.64 3g3s n GLY 47 N 3.00 2.73 1.36 8.97 0.00 -1.26 -0.84 105.19 119.15 3g3s n GLY 47 Ca -0.13 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3g3s n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3s n ARG 48 N -1.55 0.00 -0.12 1.61 1.74 -1.26 -4.92 116.66 112.16 3g3s n ARG 48 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 3g3s n ARG 48 Cb 0.00 -0.32 -0.07 0.00 -1.02 0.00 0.00 32.46 31.05 3g3s n ARG 48 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3g3s n GLN 49 N -2.88 0.56 -4.06 5.56 6.02 -1.26 -4.97 117.38 116.36 3g3s n GLN 49 Ca 0.00 0.26 -0.30 0.00 -0.01 0.00 0.00 57.00 56.95 3g3s n GLN 49 Cb 0.29 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 3g3s n GLN 49 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3g3s s SER 50 N -6.86 5.48 0.23 1.08 1.04 -1.26 -4.46 113.70 108.95 3g3s s SER 50 Ca -0.34 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.09 3g3s s SER 50 Cb 0.10 -1.46 -0.05 0.00 0.10 0.00 0.00 66.02 64.71 3g3s s SER 50 CO 0.47 0.17 0.01 -0.36 0.98 0.00 0.00 173.24 174.50 3g3s s PHE 51 N -1.38 1.53 -0.01 5.02 0.40 -0.09 -4.29 117.98 119.16 3g3s s PHE 51 Ca 0.29 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 3g3s s PHE 51 Cb -0.12 -0.89 -0.00 0.00 0.51 0.00 0.00 43.02 42.52 3g3s s PHE 51 CO 0.22 -0.08 -0.05 -0.06 0.70 0.00 0.00 175.22 175.95 3g3s s PHE 52 N -3.47 0.49 -0.30 0.36 0.40 -0.02 -1.85 117.98 113.58 3g3s s PHE 52 Ca 0.29 -0.09 -0.00 0.00 -0.60 0.00 0.00 56.93 56.52 3g3s s PHE 52 Cb 0.06 -0.33 0.10 0.00 0.51 0.00 0.00 43.02 43.36 3g3s s PHE 52 CO 0.09 -0.02 0.09 0.20 0.70 0.00 0.00 175.22 176.27 3g3s s GLY 53 N -0.04 1.13 -0.17 4.36 0.00 -0.12 -1.61 107.32 110.87 3g3s s GLY 53 Ca 0.01 -1.68 -0.21 0.00 0.00 0.00 0.00 44.72 42.84 3g3s s GLY 53 CO -0.00 1.53 0.61 -1.36 0.00 0.00 0.00 173.10 173.89 3g3s s PHE 54 N 1.57 3.41 -0.18 1.90 0.40 -0.53 -0.69 117.98 123.87 3g3s s PHE 54 Ca 0.09 0.95 -0.02 0.00 -0.60 0.00 0.00 56.93 57.35 3g3s s PHE 54 Cb -0.17 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 40.58 3g3s s PHE 54 CO -0.23 -0.10 -0.08 -0.51 0.70 0.00 0.00 175.22 175.01 3g3s s LEU 55 N 1.62 2.87 0.16 -0.37 1.43 -0.57 -1.03 118.68 122.78 3g3s s LEU 55 Ca 0.29 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3g3s s LEU 55 Cb -0.16 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3g3s s LEU 55 CO 0.11 0.08 0.01 0.00 0.23 0.00 0.00 176.35 176.78 3g3s s ALA 56 N 0.90 1.21 0.00 4.21 0.00 -0.08 -1.54 121.76 126.47 3g3s s ALA 56 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3g3s s ALA 56 Cb -0.15 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3g3s s ALA 56 CO 0.01 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3g3s n GLY 57 N -0.19 -0.52 3.71 0.00 0.00 -1.25 -1.02 105.19 105.92 3g3s n GLY 57 Ca -0.07 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3g3s n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3s s GLN 58 N 0.00 4.28 0.22 1.61 -1.52 0.84 -4.93 119.66 120.16 3g3s s GLN 58 Ca 0.00 2.15 -0.31 0.00 -1.95 0.00 0.00 55.36 55.25 3g3s s GLN 58 Cb 0.00 -3.31 -0.15 0.00 -0.22 0.00 0.00 33.01 29.34 3g3s s GLN 58 CO 0.00 -0.52 1.20 -2.30 -0.25 0.00 0.00 175.29 173.41 3g3s n PRO 59 N 4.31 1.48 -3.72 2.91 -0.02 -1.26 -4.52 135.00 134.18 3g3s n PRO 59 Ca 0.13 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 3g3s n PRO 59 Cb 0.41 -2.04 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 3g3s n PRO 59 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3g3s s HIS 60 N -0.39 -0.37 0.34 6.00 2.46 -1.26 -5.06 115.29 117.00 3g3s s HIS 60 Ca 0.68 0.86 0.03 0.00 0.47 0.00 0.00 55.06 57.09 3g3s s HIS 60 Cb -0.75 0.06 0.59 0.00 -0.13 0.00 0.00 32.58 32.35 3g3s s HIS 60 CO 0.54 -0.26 1.92 0.00 -2.47 0.00 0.00 174.74 174.46 3g3s h ARG 61 N 7.36 0.67 -0.30 2.88 3.08 -1.99 -3.18 114.38 122.91 3g3s h ARG 61 Ca -0.36 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.48 3g3s h ARG 61 Cb 1.15 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3g3s h ARG 61 CO 0.33 0.57 -0.25 -0.44 -1.07 0.00 0.00 179.97 179.12 3g3s h ASP 62 N 0.67 0.59 -0.11 7.04 3.32 -1.99 -1.89 116.42 124.05 3g3s h ASP 62 Ca 0.16 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 3g3s h ASP 62 Cb 0.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3g3s h ASP 62 CO -0.01 0.83 -0.26 -0.07 -1.72 0.00 0.00 179.24 178.00 3g3s h LEU 63 N 0.51 0.57 -0.70 1.55 3.38 -1.93 -2.79 115.31 115.91 3g3s h LEU 63 Ca 0.07 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3g3s h LEU 63 Cb 0.71 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3g3s h LEU 63 CO 0.05 0.82 -0.04 -0.07 0.09 0.00 0.00 178.44 179.30 3g3s h LEU 64 N 0.49 0.95 -1.65 1.67 3.38 -1.51 -2.74 115.31 115.90 3g3s h LEU 64 Ca 0.07 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3g3s h LEU 64 Cb 0.72 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3g3s h LEU 64 CO 0.05 1.03 0.27 0.11 0.09 0.00 0.00 178.44 179.99 3g3s h LYS 65 N 0.88 0.45 -0.67 1.13 1.57 -1.11 -1.61 116.57 117.22 3g3s h LYS 65 Ca 0.15 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3g3s h LYS 65 Cb 0.57 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3g3s h LYS 65 CO 0.03 0.30 0.35 0.82 -0.57 0.00 0.00 179.45 180.39 3g3s h ILE 66 N 0.47 1.20 0.00 1.86 2.04 -1.23 -2.20 117.51 119.66 3g3s h ILE 66 Ca 0.16 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3g3s h ILE 66 Cb 0.06 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3g3s h ILE 66 CO -0.04 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.34 3g3s s GLU 68 N -3.15 3.07 -0.95 0.00 2.02 -0.83 -3.41 118.70 115.45 3g3s s GLU 68 Ca 0.08 1.86 0.00 0.00 0.02 0.00 0.00 54.97 56.93 3g3s s GLU 68 Cb 0.12 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.34 3g3s s GLU 68 CO 0.48 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 175.03 3g3s n GLY 69 N 0.52 0.96 3.27 -1.39 0.00 -1.26 -5.01 105.19 102.28 3g3s n GLY 69 Ca 0.13 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 3g3s n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3s s LYS 70 N -2.97 1.20 -1.29 1.61 1.02 -1.22 -5.03 119.74 113.07 3g3s s LYS 70 Ca 0.00 -1.09 -0.18 0.00 0.02 0.00 0.00 55.97 54.72 3g3s s LYS 70 Cb 0.00 -1.42 0.02 0.00 -0.52 0.00 0.00 37.83 35.92 3g3s s LYS 70 CO 0.00 0.34 1.90 -1.71 -0.92 0.00 0.00 175.35 174.96 3g3s n ASN 71 N 1.33 4.25 -4.28 2.83 5.15 -1.26 -4.84 115.26 118.43 3g3s n ASN 71 Ca -0.19 -2.85 -0.25 0.00 -0.60 0.00 0.00 54.58 50.69 3g3s n ASN 71 Cb 0.53 -1.68 -0.13 0.00 -0.53 0.00 0.00 39.78 37.97 3g3s n ASN 71 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3g3s s ILE 72 N 5.04 1.76 -0.28 -1.44 2.07 -1.26 -0.91 121.20 126.18 3g3s s ILE 72 Ca 0.55 -1.44 -0.08 0.00 -1.41 0.00 0.00 60.65 58.27 3g3s s ILE 72 Cb 0.06 -1.57 -0.02 0.00 0.13 0.00 0.00 42.46 41.07 3g3s s ILE 72 CO 0.05 0.06 0.11 -0.63 -1.91 0.00 0.00 174.94 172.62 3g3s s ILE 73 N -1.01 4.47 -0.11 2.00 1.01 -0.77 -4.34 121.20 122.45 3g3s s ILE 73 Ca 0.08 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 3g3s s ILE 73 Cb -0.10 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3g3s s ILE 73 CO 0.03 0.21 0.50 -0.76 0.00 0.00 0.00 174.94 174.92 3g3s s LEU 74 N 1.62 4.28 -0.29 2.97 1.43 0.71 -0.95 118.68 128.44 3g3s s LEU 74 Ca 0.05 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 3g3s s LEU 74 Cb -0.16 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.40 3g3s s LEU 74 CO 0.05 -0.01 -0.02 -0.69 0.23 0.00 0.00 176.35 175.91 3g3s s VAL 75 N 0.64 1.97 0.37 -1.59 1.01 0.13 -0.90 120.40 122.03 3g3s s VAL 75 Ca 0.27 -1.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 3g3s s VAL 75 Cb -0.15 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 3g3s s VAL 75 CO 0.11 -0.33 1.06 -2.16 0.00 0.00 0.00 175.10 173.78 3g3s s PRO 76 N 1.13 4.30 0.23 2.72 0.04 -1.26 -1.51 135.00 140.64 3g3s s PRO 76 Ca 0.01 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 3g3s s PRO 76 Cb -0.19 -2.72 0.23 0.00 0.04 0.00 0.00 34.50 31.86 3g3s s PRO 76 CO -0.08 -0.04 1.60 0.37 0.04 0.00 0.00 177.00 178.89 3g3s h GLN 77 N 2.87 0.55 -3.60 4.56 4.15 -1.68 -3.47 115.11 118.49 3g3s h GLN 77 Ca -0.48 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 58.54 3g3s h GLN 77 Cb 1.21 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 3g3s h GLN 77 CO 0.64 0.85 -0.00 0.54 -1.93 0.00 0.00 178.83 178.93 3g3s s ASN 78 N -6.85 0.34 0.38 -0.69 2.20 -1.26 -5.04 114.94 104.02 3g3s s ASN 78 Ca -0.07 -1.21 0.07 0.00 -0.94 0.00 0.00 52.86 50.71 3g3s s ASN 78 Cb 0.12 0.71 0.80 0.00 -2.00 0.00 0.00 41.25 40.89 3g3s s ASN 78 CO 0.82 -1.39 1.99 -0.61 -2.94 0.00 0.00 177.10 174.96 3g3s h GLN 79 N 2.10 0.65 -0.59 3.55 5.75 -1.99 -1.54 115.11 123.03 3g3s h GLN 79 Ca -0.28 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.23 3g3s h GLN 79 Cb 1.25 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.60 3g3s h GLN 79 CO 0.38 0.43 0.32 0.00 -2.65 0.00 0.00 178.83 177.31 3g3s h ALA 80 N 1.65 0.78 -0.11 3.38 0.00 -1.99 0.45 119.26 123.41 3g3s h ALA 80 Ca 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3g3s h ALA 80 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3g3s h ALA 80 CO -0.08 -0.01 0.06 -1.49 0.00 0.00 0.00 179.25 177.73 3g3s h TRP 81 N 0.61 0.17 -0.94 0.00 4.06 -1.67 -2.01 115.95 116.16 3g3s h TRP 81 Ca 0.26 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.32 3g3s h TRP 81 Cb 0.15 -0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 28.17 3g3s h TRP 81 CO -0.09 0.22 0.57 0.77 -3.56 0.00 0.00 178.44 176.35 3g3s h SER 82 N 0.06 0.81 -0.48 -3.49 0.02 -0.83 -1.14 113.55 108.50 3g3s h SER 82 Ca 0.04 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3g3s h SER 82 Cb 0.12 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3g3s h SER 82 CO -0.00 0.42 0.12 0.44 -1.14 0.00 0.00 176.83 176.67 3g3s h ASP 83 N 0.89 0.72 -0.55 3.07 3.32 0.16 -1.65 116.42 122.37 3g3s h ASP 83 Ca 0.47 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3g3s h ASP 83 Cb 0.50 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3g3s h ASP 83 CO -0.28 0.76 0.07 0.25 -1.72 0.00 0.00 179.24 178.33 3g3s h LEU 84 N 0.65 0.92 -0.48 1.55 5.85 -0.86 0.12 115.31 123.06 3g3s h LEU 84 Ca 0.15 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3g3s h LEU 84 Cb 0.32 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3g3s h LEU 84 CO 0.00 0.94 0.30 0.40 -0.34 0.00 0.00 178.44 179.74 3g3s h ILE 85 N 0.90 1.14 -0.09 4.05 2.04 -0.96 0.89 117.51 125.47 3g3s h ILE 85 Ca 0.18 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3g3s h ILE 85 Cb 0.43 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3g3s h ILE 85 CO 0.01 0.14 -0.14 -0.33 0.00 0.00 0.00 178.15 177.82 3g3s h GLU 86 N 0.64 0.26 -0.54 2.37 5.08 -1.09 -1.33 114.58 119.97 3g3s h GLU 86 Ca 0.17 -0.16 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3g3s h GLU 86 Cb -0.04 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 3g3s h GLU 86 CO -0.03 0.73 0.06 1.49 -1.00 0.00 0.00 179.01 180.26 3g3s h GLU 87 N -0.18 0.18 0.19 2.33 4.57 -0.65 0.53 114.58 121.55 3g3s h GLU 87 Ca 0.01 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 3g3s h GLU 87 Cb 0.70 -0.04 0.03 0.00 -0.16 0.00 0.00 28.75 29.28 3g3s h GLU 87 CO 0.03 0.12 -1.14 0.28 -1.18 0.00 0.00 179.01 177.12 3g3s h VAL 88 N 0.18 1.39 0.00 0.32 2.07 -0.83 -3.39 116.25 116.00 3g3s h VAL 88 Ca 0.28 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.19 3g3s h VAL 88 Cb 0.42 3.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.28 3g3s h VAL 88 CO -0.41 0.76 -1.88 -1.22 0.02 0.00 0.00 177.57 174.84 3g3s n TYR 89 N -3.92 0.00 0.00 1.57 4.02 -0.50 -5.03 117.16 113.30 3g3s n TYR 89 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3g3s n TYR 89 Cb 0.96 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3g3s n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g3s n GLY 90 N 1.46 3.04 0.07 2.72 0.00 0.18 0.16 105.19 112.82 3g3s n GLY 90 Ca -0.05 0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.36 3g3s n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g3s n ASP 91 N 6.58 0.37 0.00 1.61 -0.08 -1.26 -2.98 116.55 120.78 3g3s n ASP 91 Ca 0.00 0.58 0.03 0.00 -1.51 0.00 0.00 54.79 53.88 3g3s n ASP 91 Cb 0.00 -0.66 0.16 0.00 2.34 0.00 0.00 41.12 42.96 3g3s n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g3s n GLY 92 N 0.30 -0.67 3.00 0.27 0.00 0.12 -4.66 105.19 103.56 3g3s n GLY 92 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3g3s n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3s s VAL 93 N -2.00 0.12 -0.21 1.61 0.11 -1.16 -1.35 120.40 117.52 3g3s s VAL 93 Ca 0.08 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.15 3g3s s VAL 93 Cb 0.04 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3g3s s VAL 93 CO 0.06 -0.55 -0.15 -0.60 -3.33 0.00 0.00 175.10 170.53 3g3s s ARG 94 N -1.73 2.59 0.33 1.54 3.52 0.13 -4.70 118.95 120.63 3g3s s ARG 94 Ca -0.13 -1.03 -0.27 0.00 -0.13 0.00 0.00 55.73 54.17 3g3s s ARG 94 Cb -0.08 -2.67 -0.09 0.00 -1.56 0.00 0.00 34.95 30.55 3g3s s ARG 94 CO -0.02 -0.37 1.02 0.12 -0.81 0.00 0.00 175.30 175.23 3g3s s PHE 95 N 1.23 3.56 0.33 5.12 5.36 -1.26 -1.46 117.98 130.86 3g3s s PHE 95 Ca -0.01 1.74 -0.18 0.00 -0.96 0.00 0.00 56.93 57.52 3g3s s PHE 95 Cb -0.16 -3.08 0.04 0.00 -0.34 0.00 0.00 43.02 39.47 3g3s s PHE 95 CO -0.09 -0.22 0.74 -0.59 -1.46 0.00 0.00 175.22 173.60 3g3s s PHE 96 N -1.47 0.01 -0.07 10.12 -0.71 -0.45 -4.98 117.98 120.43 3g3s s PHE 96 Ca 0.50 -0.57 0.05 0.00 -1.04 0.00 0.00 56.93 55.88 3g3s s PHE 96 Cb -0.24 0.74 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 3g3s s PHE 96 CO 0.30 -1.40 -0.24 0.99 -1.34 0.00 0.00 175.22 173.53 3g3s s THR 97 N -3.10 2.08 0.41 -4.49 2.01 -1.26 -1.51 115.64 109.77 3g3s s THR 97 Ca 0.14 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 61.17 3g3s s THR 97 Cb -0.05 -1.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 3g3s s THR 97 CO 0.10 0.57 0.16 -0.13 -0.69 0.00 0.00 174.62 174.62 3g3s s ARG 98 N -0.01 2.20 -0.18 4.92 0.52 -0.79 -4.64 118.95 120.97 3g3s s ARG 98 Ca -0.08 -1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 53.25 3g3s s ARG 98 Cb -0.15 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.42 3g3s s ARG 98 CO 0.05 -0.10 -0.02 0.71 0.02 0.00 0.00 175.30 175.96 3g3s s TYR 99 N -2.61 1.53 0.32 -0.53 1.51 0.02 -0.42 117.35 117.17 3g3s s TYR 99 Ca 0.40 -1.04 -0.24 0.00 -1.01 0.00 0.00 57.07 55.18 3g3s s TYR 99 Cb 0.04 -1.23 -0.10 0.00 -0.11 0.00 0.00 41.96 40.56 3g3s s TYR 99 CO 0.22 -0.61 0.90 0.00 -1.11 0.00 0.00 175.55 174.95 3g3s s ALA 100 N 1.69 3.22 0.20 3.71 0.00 -0.60 -0.68 121.76 129.31 3g3s s ALA 100 Ca -0.00 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.47 3g3s s ALA 100 Cb -0.16 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3g3s s ALA 100 CO -0.07 0.20 -0.07 0.95 0.00 0.00 0.00 175.76 176.76 3g3s s THR 101 N -1.70 3.26 0.46 0.00 -4.23 -1.25 -0.23 115.64 111.96 3g3s s THR 101 Ca 0.51 -1.72 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 3g3s s THR 101 Cb -0.16 -2.65 -0.07 0.00 1.34 0.00 0.00 72.50 70.96 3g3s s THR 101 CO 0.21 -0.18 1.25 -0.54 -0.54 0.00 0.00 174.62 174.83 3g3s s LYS 102 N -3.04 3.68 -0.03 3.99 1.02 -0.15 -4.60 119.74 120.61 3g3s s LYS 102 Ca 0.27 1.99 0.17 0.00 0.02 0.00 0.00 55.97 58.42 3g3s s LYS 102 Cb -0.08 -2.48 0.55 0.00 -0.52 0.00 0.00 37.83 35.30 3g3s s LYS 102 CO 0.16 -0.68 1.45 1.63 -0.92 0.00 0.00 175.35 177.00 3g3s n LYS 103 N -0.42 2.66 -1.96 1.68 4.76 -1.26 -4.16 118.16 119.46 3g3s n LYS 103 Ca 0.07 -2.22 -0.27 0.00 -2.87 0.00 0.00 58.31 53.01 3g3s n LYS 103 Cb 0.46 -1.57 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3g3s n LYS 103 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3g3s n ASP 104 N 1.15 5.54 -4.75 4.39 5.75 -1.26 -5.07 116.55 122.30 3g3s n ASP 104 Ca 0.20 -3.76 -0.41 0.00 -0.01 0.00 0.00 54.79 50.81 3g3s n ASP 104 Cb 0.58 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 3g3s n ASP 104 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g3s s THR 105 N -4.81 2.42 -0.28 2.12 2.01 -1.26 -5.00 115.64 110.84 3g3s s THR 105 Ca 0.53 0.37 -0.10 0.00 0.31 0.00 0.00 61.69 62.80 3g3s s THR 105 Cb 0.43 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3g3s s THR 105 CO -0.03 0.06 0.15 -1.83 -0.69 0.00 0.00 174.62 172.29 3g3s s GLU 106 N -0.63 3.74 -0.09 4.92 -1.05 -1.26 -5.09 118.70 119.25 3g3s s GLU 106 Ca 0.59 -0.45 -0.09 0.00 -0.15 0.00 0.00 54.97 54.88 3g3s s GLU 106 Cb -0.44 -3.55 -0.04 0.00 -0.44 0.00 0.00 34.13 29.65 3g3s s GLU 106 CO 0.47 -0.23 0.21 -0.06 0.95 0.00 0.00 175.26 176.59 3g3s s PHE 107 N 1.69 3.63 -0.71 4.83 0.08 -1.26 -4.85 117.98 121.39 3g3s s PHE 107 Ca 0.06 0.65 -0.19 0.00 0.12 0.00 0.00 56.93 57.57 3g3s s PHE 107 Cb -0.16 -2.03 0.11 0.00 -0.57 0.00 0.00 43.02 40.38 3g3s s PHE 107 CO 0.08 0.71 0.88 0.34 -0.10 0.00 0.00 175.22 177.13 3g3s s ASP 108 N -1.06 6.34 0.31 1.36 -1.08 -1.26 -4.91 116.67 116.36 3g3s s ASP 108 Ca 0.18 -1.59 0.01 0.00 -0.52 0.00 0.00 52.55 50.62 3g3s s ASP 108 Cb -0.13 -2.35 0.55 0.00 -1.46 0.00 0.00 42.92 39.53 3g3s s ASP 108 CO 0.07 -1.13 1.92 -0.07 0.52 0.00 0.00 175.17 176.48 3g3s h LEU 109 N 10.21 0.88 -0.57 -1.34 3.38 -1.98 -0.30 115.31 125.60 3g3s h LEU 109 Ca -0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3g3s h LEU 109 Cb 1.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3g3s h LEU 109 CO 1.09 0.57 0.10 1.23 0.09 0.00 0.00 178.44 181.52 3g3s h GLY 110 N 1.00 1.01 0.84 0.83 0.00 -1.98 0.10 103.07 104.87 3g3s h GLY 110 Ca 0.37 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3g3s h GLY 110 CO -0.13 0.62 0.03 0.84 0.00 0.00 0.00 176.54 177.89 3g3s h HIS 111 N 0.83 0.12 -0.77 5.60 -0.00 -1.81 0.02 115.15 119.15 3g3s h HIS 111 Ca 0.17 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 3g3s h HIS 111 Cb 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 3g3s h HIS 111 CO 0.03 0.26 0.28 -0.07 -0.00 0.00 0.00 177.93 178.43 3g3s h LEU 112 N -0.05 1.08 -0.74 0.26 3.38 -0.94 -0.98 115.31 117.32 3g3s h LEU 112 Ca 0.03 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3g3s h LEU 112 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3g3s h LEU 112 CO -0.00 0.98 -0.44 -0.61 0.09 0.00 0.00 178.44 178.45 3g3s h GLN 113 N 1.12 0.43 -0.45 1.13 5.75 -0.70 -2.18 115.11 120.21 3g3s h GLN 113 Ca 0.25 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3g3s h GLN 113 Cb 0.25 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3g3s h GLN 113 CO -0.02 0.79 0.27 -0.22 -2.65 0.00 0.00 178.83 177.00 3g3s h LYS 114 N 0.35 0.53 -0.71 1.69 1.63 -0.50 0.27 116.57 119.82 3g3s h LYS 114 Ca 0.03 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3g3s h LYS 114 Cb 0.92 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.40 3g3s h LYS 114 CO 0.08 0.35 0.47 -0.07 -3.45 0.00 0.00 179.45 176.83 3g3s h LEU 115 N 0.54 0.82 0.06 5.20 3.38 -0.83 0.11 115.31 124.59 3g3s h LEU 115 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3g3s h LEU 115 Cb -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3g3s h LEU 115 CO -0.07 0.59 -0.03 0.58 0.09 0.00 0.00 178.44 179.60 3g3s h VAL 116 N 0.97 1.07 0.00 1.22 2.07 -0.97 -3.11 116.25 117.50 3g3s h VAL 116 Ca 0.26 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3g3s h VAL 116 Cb -0.11 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3g3s h VAL 116 CO -0.06 0.10 -0.07 0.44 0.02 0.00 0.00 177.57 178.01 3g3s h ASP 117 N -0.25 0.00 0.98 0.57 3.32 0.01 -2.87 116.42 118.18 3g3s h ASP 117 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3g3s h ASP 117 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3g3s h ASP 117 CO 0.01 0.07 0.00 0.47 -1.72 0.00 0.00 179.24 178.07 3g3s n ASP 118 N -4.30 0.63 -4.65 6.45 8.00 0.36 -4.86 116.55 118.18 3g3s n ASP 118 Ca -0.03 0.61 -0.53 0.00 0.71 0.00 0.00 54.79 55.56 3g3s n ASP 118 Cb 0.15 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 3g3s n ASP 118 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3g3s n LEU 119 N -2.15 2.20 -4.51 0.64 7.94 -1.09 -4.90 117.00 115.14 3g3s n LEU 119 Ca 0.04 1.09 -0.35 0.00 -1.11 0.00 0.00 56.01 55.68 3g3s n LEU 119 Cb 0.30 -1.22 0.10 0.00 0.53 0.00 0.00 43.42 43.13 3g3s n LEU 119 CO 0.23 -0.68 0.19 -2.65 -1.11 0.00 0.00 177.39 173.38 3g3s n PRO 120 N 3.88 0.11 -0.32 1.96 -0.02 -1.26 -4.89 135.00 134.45 3g3s n PRO 120 Ca 0.21 0.09 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 3g3s n PRO 120 Cb 0.19 -1.99 0.25 0.00 -0.02 0.00 0.00 33.50 31.93 3g3s n PRO 120 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3g3s h GLU 121 N -0.84 0.68 -0.00 -0.52 9.09 -1.98 -2.17 114.58 118.85 3g3s h GLU 121 Ca -0.45 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3g3s h GLU 121 Cb 1.32 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3g3s h GLU 121 CO 0.41 0.45 0.00 -1.13 0.05 0.00 0.00 179.01 178.79 3g3s n SER 122 N -4.81 0.16 -4.54 3.06 3.41 -1.26 -4.76 113.62 104.87 3g3s n SER 122 Ca 0.19 -1.11 -0.37 0.00 -0.26 0.00 0.00 58.87 57.32 3g3s n SER 122 Cb 0.45 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 3g3s n SER 122 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3g3s s PHE 123 N -2.00 3.18 0.12 7.33 0.08 -0.82 -4.39 117.98 121.48 3g3s s PHE 123 Ca 0.44 -0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.40 3g3s s PHE 123 Cb 0.21 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3g3s s PHE 123 CO 0.35 -0.19 0.10 -0.25 -0.10 0.00 0.00 175.22 175.13 3g3s n ASP 124 N 4.75 1.29 0.00 1.36 8.00 0.23 -4.83 116.55 127.36 3g3s n ASP 124 Ca -0.15 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 53.93 3g3s n ASP 124 Cb 0.52 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3g3s n ASP 124 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g3s n LYS 126 N -0.84 0.00 -2.53 -1.24 5.02 0.49 -0.07 118.16 118.98 3g3s n LYS 126 Ca -0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3g3s n LYS 126 Cb 0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.11 3g3s n LYS 126 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g3s s LEU 127 N 0.00 4.35 -0.10 -0.35 1.43 -1.26 -0.33 118.68 122.42 3g3s s LEU 127 Ca 0.00 2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.93 3g3s s LEU 127 Cb 0.00 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3g3s s LEU 127 CO 0.00 -0.29 1.47 -0.63 0.23 0.00 0.00 176.35 177.13 3g3s s ILE 128 N -1.41 3.90 0.15 -0.59 1.01 -0.38 -4.85 121.20 119.03 3g3s s ILE 128 Ca 0.51 1.10 0.01 0.00 0.00 0.00 0.00 60.65 62.26 3g3s s ILE 128 Cb -0.26 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.51 3g3s s ILE 128 CO 0.33 -0.09 0.07 -0.90 0.00 0.00 0.00 174.94 174.35 3g3s n ASP 129 N 6.86 1.85 -0.22 3.58 5.68 -1.26 -4.75 116.55 128.29 3g3s n ASP 129 Ca 0.16 -1.58 0.01 0.00 -0.50 0.00 0.00 54.79 52.88 3g3s n ASP 129 Cb 0.44 0.03 0.10 0.00 -1.14 0.00 0.00 41.12 40.55 3g3s n ASP 129 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3g3s h ARG 130 N 0.00 0.07 -0.15 0.11 2.43 -1.94 0.16 114.38 115.06 3g3s h ARG 130 Ca -0.11 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 3g3s h ARG 130 Cb 0.37 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3g3s h ARG 130 CO 0.17 0.04 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.53 3g3s h ASN 131 N 0.07 0.47 0.29 -3.80 2.35 -1.99 -3.16 115.58 109.81 3g3s h ASN 131 Ca 0.33 -0.53 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 3g3s h ASN 131 Cb 0.54 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3g3s h ASN 131 CO -0.60 0.91 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.76 3g3s h LEU 132 N 0.05 0.00 -0.19 1.61 3.38 -1.86 -1.49 115.31 116.81 3g3s h LEU 132 Ca 0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3g3s h LEU 132 Cb 0.81 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 3g3s h LEU 132 CO 0.05 0.27 -0.21 0.22 0.09 0.00 0.00 178.44 178.86 3g3s h TYR 133 N 0.00 -0.54 -0.53 1.13 5.03 -0.65 -0.84 116.97 120.57 3g3s h TYR 133 Ca -0.00 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 3g3s h TYR 133 Cb 0.48 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 3g3s h TYR 133 CO 0.00 -0.28 0.11 0.93 -1.32 0.00 0.00 178.16 177.59 3g3s h GLU 134 N -0.23 0.83 -0.95 1.82 4.39 -1.40 -1.99 114.58 117.05 3g3s h GLU 134 Ca 0.12 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3g3s h GLU 134 Cb 0.41 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3g3s h GLU 134 CO -0.33 0.76 0.63 1.15 -1.16 0.00 0.00 179.01 180.06 3g3s h THR 135 N 0.79 1.22 0.00 1.13 2.02 -0.77 -1.48 112.91 115.81 3g3s h THR 135 Ca 0.17 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3g3s h THR 135 Cb 0.32 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3g3s h THR 135 CO 0.00 0.23 -0.02 0.00 0.37 0.00 0.00 175.52 176.10 3g3s h LEU 137 N 0.00 0.00 0.38 0.00 3.38 -1.06 -2.91 115.31 115.10 3g3s h LEU 137 Ca -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3g3s h LEU 137 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3g3s h LEU 137 CO 0.00 0.04 -0.18 0.58 0.09 0.00 0.00 178.44 178.97 3g3s h VAL 138 N 0.00 0.63 -2.98 1.22 2.07 -1.19 -3.44 116.25 112.56 3g3s h VAL 138 Ca 0.00 -0.22 -0.61 0.00 0.82 0.00 0.00 66.70 66.69 3g3s h VAL 138 Cb 0.82 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3g3s h VAL 138 CO 0.00 0.04 -0.45 -1.61 0.02 0.00 0.00 177.57 175.57 3g3s s GLU 139 N -5.59 3.49 0.34 1.57 2.02 -1.26 -5.01 118.70 114.26 3g3s s GLU 139 Ca -0.15 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 54.56 3g3s s GLU 139 Cb 0.04 -2.99 0.62 0.00 0.10 0.00 0.00 34.13 31.90 3g3s s GLU 139 CO 0.60 0.57 1.83 1.49 0.02 0.00 0.00 175.26 179.77 3g3s h GLU 140 N 3.01 0.31 -0.12 1.61 4.81 -1.89 -3.13 114.58 119.19 3g3s h GLU 140 Ca -0.45 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 3g3s h GLU 140 Cb 1.16 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3g3s h GLU 140 CO 0.75 0.51 -0.07 0.11 -0.73 0.00 0.00 179.01 179.58 3g3s h TRP 141 N 0.29 0.18 -0.02 0.92 5.08 -1.95 -2.92 115.95 117.54 3g3s h TRP 141 Ca 0.05 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3g3s h TRP 141 Cb 0.52 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.63 3g3s h TRP 141 CO 0.01 0.26 -0.41 -1.13 -1.28 0.00 0.00 178.44 175.89 3g3s n SER 142 N -4.35 2.08 -0.03 0.11 3.41 -1.19 -4.67 113.62 108.98 3g3s n SER 142 Ca -0.01 -1.54 0.05 0.00 -0.26 0.00 0.00 58.87 57.11 3g3s n SER 142 Cb 0.21 0.43 0.42 0.00 -0.26 0.00 0.00 64.21 65.00 3g3s n SER 142 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3g3s h ARG 143 N 2.59 0.56 0.00 4.33 3.08 -1.31 -2.20 114.38 121.44 3g3s h ARG 143 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g3s h ARG 143 Cb 0.76 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3g3s h ARG 143 CO 0.00 0.37 0.00 -0.25 -1.07 0.00 0.00 179.97 179.02 3g3s n ASP 144 N -4.47 0.55 0.17 7.04 8.00 -1.26 0.42 116.55 126.99 3g3s n ASP 144 Ca 0.05 0.62 0.05 0.00 0.71 0.00 0.00 54.79 56.21 3g3s n ASP 144 Cb 0.10 -0.74 0.50 0.00 -0.02 0.00 0.00 41.12 40.97 3g3s n ASP 144 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3g3s h LEU 145 N 0.00 0.15 0.00 0.64 3.38 -1.73 -3.37 115.31 114.38 3g3s h LEU 145 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g3s h LEU 145 Cb 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3g3s h LEU 145 CO 0.00 0.20 -0.02 1.33 0.09 0.00 0.00 178.44 180.04 3g3s n VAL 146 N -4.41 0.00 0.51 1.22 0.24 -1.08 -4.10 118.33 110.71 3g3s n VAL 146 Ca -0.01 -0.08 0.07 0.00 -2.04 0.00 0.00 64.34 62.27 3g3s n VAL 146 Cb 0.16 0.89 0.31 0.00 -1.47 0.00 0.00 33.84 33.73 3g3s n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g3s n GLY 147 N 0.22 -0.93 0.10 7.63 0.00 0.17 -2.37 105.19 110.01 3g3s n GLY 147 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3g3s n GLY 147 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g3s n ASN 148 N -1.46 0.55 -4.84 1.61 3.02 -1.26 -4.52 115.26 108.36 3g3s n ASN 148 Ca 0.04 -0.43 -0.35 0.00 -0.03 0.00 0.00 54.58 53.81 3g3s n ASN 148 Cb 0.15 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 3g3s n ASN 148 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3g3s s TYR 149 N -2.68 3.59 0.19 3.10 1.51 -1.00 -4.72 117.35 117.34 3g3s s TYR 149 Ca 0.22 1.16 -0.11 0.00 -1.01 0.00 0.00 57.07 57.32 3g3s s TYR 149 Cb 0.19 -2.45 0.11 0.00 -0.11 0.00 0.00 41.96 39.70 3g3s s TYR 149 CO 0.55 0.36 1.81 0.82 -1.11 0.00 0.00 175.55 177.97 3g3s h ILE 150 N 2.65 1.21 -3.19 2.71 1.08 -1.89 -3.46 117.51 116.62 3g3s h ILE 150 Ca -0.48 -0.52 -0.07 0.00 -0.39 0.00 0.00 64.86 63.39 3g3s h ILE 150 Cb 1.19 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3g3s h ILE 150 CO 0.66 0.23 0.20 1.51 -0.69 0.00 0.00 178.15 180.06 3g3s s ASP 151 N -5.98 0.21 0.44 1.72 1.47 -1.26 -5.03 116.67 108.23 3g3s s ASP 151 Ca -0.13 -1.27 0.11 0.00 1.18 0.00 0.00 52.55 52.44 3g3s s ASP 151 Cb 0.14 0.84 0.99 0.00 -0.34 0.00 0.00 42.92 44.54 3g3s s ASP 151 CO 0.79 -1.67 2.05 1.62 0.68 0.00 0.00 175.17 178.63 3g3s h VAL 152 N 2.01 1.02 -0.37 2.11 3.04 -1.96 -2.00 116.25 120.10 3g3s h VAL 152 Ca -0.33 -0.14 -0.15 0.00 -1.01 0.00 0.00 66.70 65.07 3g3s h VAL 152 Cb 1.25 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 3g3s h VAL 152 CO 0.42 0.08 -0.34 -0.33 -1.01 0.00 0.00 177.57 176.39 3g3s h GLU 153 N 0.41 0.88 -0.31 4.17 4.39 -1.98 0.75 114.58 122.88 3g3s h GLU 153 Ca 0.17 -0.45 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 3g3s h GLU 153 Cb 0.16 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3g3s h GLU 153 CO -0.04 1.10 -0.24 0.37 -1.16 0.00 0.00 179.01 179.04 3g3s h GLN 154 N 0.68 0.61 -0.15 2.33 4.15 -1.85 -0.38 115.11 120.51 3g3s h GLN 154 Ca 0.06 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 3g3s h GLN 154 Cb 0.93 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 3g3s h GLN 154 CO 0.09 0.80 0.01 0.35 -1.93 0.00 0.00 178.83 178.15 3g3s h PHE 155 N 0.54 0.27 -0.51 3.99 3.57 -1.03 0.12 116.94 123.88 3g3s h PHE 155 Ca 0.08 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3g3s h PHE 155 Cb 0.70 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3g3s h PHE 155 CO 0.03 0.45 0.17 -0.07 -2.23 0.00 0.00 178.31 176.66 3g3s h LEU 156 N 0.01 0.68 0.04 0.59 3.38 -0.77 0.69 115.31 119.93 3g3s h LEU 156 Ca 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3g3s h LEU 156 Cb 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3g3s h LEU 156 CO 0.00 0.64 -0.02 -0.78 0.09 0.00 0.00 178.44 178.38 3g3s h ASP 157 N 0.73 -0.04 0.00 -0.43 3.58 -0.94 -3.41 116.42 115.91 3g3s h ASP 157 Ca 0.17 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.07 3g3s h ASP 157 Cb 0.20 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3g3s h ASP 157 CO -0.01 0.55 -1.44 0.18 -2.88 0.00 0.00 179.24 175.64 3g3s n LEU 158 N -4.83 0.06 -4.99 2.28 4.77 0.40 -5.04 117.00 109.64 3g3s n LEU 158 Ca -0.09 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.64 3g3s n LEU 158 Cb 0.29 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3g3s n LEU 158 CO 0.32 0.01 0.32 -0.83 -1.33 0.00 0.00 177.39 175.88 3g3s s GLY 159 N -3.24 1.85 -0.23 -0.72 0.00 0.24 -4.78 107.32 100.45 3g3s s GLY 159 Ca -0.03 -1.52 -0.15 0.00 0.00 0.00 0.00 44.72 43.02 3g3s s GLY 159 CO 0.50 -1.23 0.57 -2.27 0.00 0.00 0.00 173.10 170.67 3g3s s LEU 160 N -4.67 -0.49 0.24 0.66 2.96 -1.26 -4.72 118.68 111.40 3g3s s LEU 160 Ca 0.58 1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 55.54 3g3s s LEU 160 Cb -0.09 1.96 0.02 0.00 0.50 0.00 0.00 46.19 48.57 3g3s s LEU 160 CO 0.37 -0.22 0.58 -0.83 -1.32 0.00 0.00 176.35 174.94 3g3s s GLY 161 N 1.21 0.06 0.05 7.98 0.00 -1.26 -0.69 107.32 114.68 3g3s s GLY 161 Ca -0.07 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.27 3g3s s GLY 161 CO -0.12 -0.29 -0.10 0.00 0.00 0.00 0.00 173.10 172.59 3g3s s VAL 163 N -1.18 0.37 -0.14 0.00 -7.23 0.55 -1.25 120.40 111.51 3g3s s VAL 163 Ca -0.05 -1.41 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3g3s s VAL 163 Cb -0.09 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 3g3s s VAL 163 CO 0.01 -0.69 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.48 3g3s s ILE 164 N -2.57 4.24 0.01 -0.62 1.01 0.15 -0.38 121.20 123.03 3g3s s ILE 164 Ca -0.02 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3g3s s ILE 164 Cb -0.02 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3g3s s ILE 164 CO -0.04 0.51 -0.06 -0.76 0.00 0.00 0.00 174.94 174.59 3g3s s LEU 165 N 0.05 3.19 -0.05 2.97 1.02 0.90 -0.67 118.68 126.09 3g3s s LEU 165 Ca 0.02 -0.14 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 3g3s s LEU 165 Cb -0.13 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.28 3g3s s LEU 165 CO 0.02 0.28 0.04 -2.28 0.02 0.00 0.00 176.35 174.43 3g3s s HIS 166 N -1.01 0.25 -1.50 0.29 2.46 0.45 -0.60 115.29 115.63 3g3s s HIS 166 Ca 0.17 0.11 -0.13 0.00 0.47 0.00 0.00 55.06 55.69 3g3s s HIS 166 Cb -0.11 -0.54 0.07 0.00 -0.13 0.00 0.00 32.58 31.87 3g3s s HIS 166 CO 0.08 -0.22 1.01 1.63 -2.47 0.00 0.00 174.74 174.77 3g3s n LYS 167 N 5.07 -5.91 -1.02 2.88 5.02 -1.26 -1.95 118.16 121.00 3g3s n LYS 167 Ca -0.08 0.63 -0.01 0.00 -2.02 0.00 0.00 58.31 56.84 3g3s n LYS 167 Cb 0.50 -5.55 -0.00 0.00 -0.02 0.00 0.00 35.03 29.96 3g3s n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g3s n GLY 168 N -1.74 0.49 3.12 0.72 0.00 -1.26 -5.03 105.19 101.48 3g3s n GLY 168 Ca 0.03 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 3g3s n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3s s GLN 169 N -1.03 1.08 -0.02 1.61 -0.21 -0.82 -5.11 119.66 115.16 3g3s s GLN 169 Ca 0.00 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 3g3s s GLN 169 Cb 0.00 -1.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.91 3g3s s GLN 169 CO 0.00 0.28 1.30 0.08 -2.12 0.00 0.00 175.29 174.83 3g3s s VAL 170 N -0.48 3.98 0.00 1.09 1.01 -1.26 -0.41 120.40 124.33 3g3s s VAL 170 Ca 0.04 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3g3s s VAL 170 Cb -0.06 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3g3s s VAL 170 CO 0.00 0.00 0.15 1.33 0.00 0.00 0.00 175.10 176.59 3g3s n VAL 171 N 4.61 0.00 -3.52 2.92 0.24 0.15 -4.93 118.33 117.80 3g3s n VAL 171 Ca 0.12 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 3g3s n VAL 171 Cb 0.45 1.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.87 3g3s n VAL 171 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g3s s SER 172 N -0.46 -0.48 0.04 -1.34 0.15 -1.23 -1.24 113.70 109.14 3g3s s SER 172 Ca 0.00 0.35 -0.24 0.00 0.70 0.00 0.00 55.95 56.76 3g3s s SER 172 Cb 0.00 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 3g3s s SER 172 CO 0.00 -0.57 0.56 -0.83 1.20 0.00 0.00 173.24 173.60 3g3s s GLY 173 N -1.68 -0.48 -0.05 9.45 0.00 0.34 -0.67 107.32 114.22 3g3s s GLY 173 Ca -0.03 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.44 3g3s s GLY 173 CO -0.00 0.42 -0.03 0.00 0.00 0.00 0.00 173.10 173.48 3g3s s ALA 174 N -2.34 0.67 0.31 3.20 0.00 -0.38 -1.34 121.76 121.88 3g3s s ALA 174 Ca -0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 3g3s s ALA 174 Cb -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.66 3g3s s ALA 174 CO -0.01 -0.10 0.71 0.45 0.00 0.00 0.00 175.76 176.81 3g3s s SER 175 N 1.11 -0.13 -0.47 0.00 0.15 0.06 -0.48 113.70 113.93 3g3s s SER 175 Ca -0.08 -0.82 -0.28 0.00 0.70 0.00 0.00 55.95 55.47 3g3s s SER 175 Cb -0.14 0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 64.92 3g3s s SER 175 CO -0.01 -1.43 1.59 -0.94 1.20 0.00 0.00 173.24 173.66 3g3s s SER 176 N -2.98 5.97 0.26 5.45 1.04 0.14 -0.86 113.70 122.73 3g3s s SER 176 Ca 0.14 0.70 -0.00 0.00 0.48 0.00 0.00 55.95 57.27 3g3s s SER 176 Cb -0.05 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 63.88 3g3s s SER 176 CO 0.09 -1.75 1.73 0.22 0.98 0.00 0.00 173.24 174.50 3g3s h TYR 177 N 12.11 0.72 -3.64 5.02 3.20 -0.92 -3.42 116.97 130.04 3g3s h TYR 177 Ca -0.29 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 61.38 3g3s h TYR 177 Cb 1.13 -0.19 -0.12 0.00 1.54 0.00 0.00 36.73 39.09 3g3s h TYR 177 CO 1.00 0.76 -0.20 0.00 -1.64 0.00 0.00 178.16 178.08 3g3s s ALA 178 N -4.73 -0.44 0.04 1.82 0.00 -1.21 -4.69 121.76 112.54 3g3s s ALA 178 Ca -0.08 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3g3s s ALA 178 Cb 0.14 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 3g3s s ALA 178 CO 0.81 -0.66 -0.12 -1.12 0.00 0.00 0.00 175.76 174.67 3g3s s SER 179 N -2.89 1.43 0.38 0.00 0.01 -1.26 -0.26 113.70 111.10 3g3s s SER 179 Ca 0.10 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 56.97 3g3s s SER 179 Cb 0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 3g3s s SER 179 CO -0.05 -0.01 0.23 -0.72 0.41 0.00 0.00 173.24 173.10 3g3s s TYR 180 N -0.90 1.79 0.43 2.43 1.13 -0.19 -4.67 117.35 117.37 3g3s s TYR 180 Ca -0.01 -1.55 0.16 0.00 -1.41 0.00 0.00 57.07 54.27 3g3s s TYR 180 Cb -0.08 -0.90 1.07 0.00 -1.10 0.00 0.00 41.96 40.95 3g3s s TYR 180 CO 0.01 -0.67 1.92 0.66 -2.51 0.00 0.00 175.55 174.96 3g3s h SER 181 N 1.94 0.38 0.00 -0.18 4.64 -1.98 -2.95 113.55 115.40 3g3s h SER 181 Ca -0.28 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3g3s h SER 181 Cb 1.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3g3s h SER 181 CO 0.43 0.19 -0.03 0.00 -0.87 0.00 0.00 176.83 176.55 3g3s n ALA 182 N -2.53 2.01 -3.00 5.18 0.00 -1.26 -5.08 120.51 115.83 3g3s n ALA 182 Ca 0.15 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 52.07 3g3s n ALA 182 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3g3s n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3s n GLY 183 N -0.75 0.63 3.08 0.00 0.00 -1.12 -0.44 105.19 106.60 3g3s n GLY 183 Ca 0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 3g3s n GLY 183 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g3s s ILE 184 N -2.08 0.15 -0.26 -0.61 -4.36 -0.63 -1.02 121.20 112.39 3g3s s ILE 184 Ca 0.00 -1.25 -0.10 0.00 -0.26 0.00 0.00 60.65 59.04 3g3s s ILE 184 Cb 0.00 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 3g3s s ILE 184 CO 0.00 -0.69 0.16 -0.70 0.24 0.00 0.00 174.94 173.95 3g3s s GLU 185 N -2.76 3.92 0.08 0.37 2.56 0.64 -0.72 118.70 122.78 3g3s s GLU 185 Ca -0.04 -0.34 -0.25 0.00 0.00 0.00 0.00 54.97 54.34 3g3s s GLU 185 Cb -0.00 -3.55 -0.06 0.00 2.00 0.00 0.00 34.13 32.51 3g3s s GLU 185 CO -0.05 -0.11 0.77 0.42 -0.56 0.00 0.00 175.26 175.72 3g3s s ILE 186 N 1.52 4.64 -0.08 -3.70 1.01 0.32 -0.34 121.20 124.57 3g3s s ILE 186 Ca 0.07 1.64 0.04 0.00 0.00 0.00 0.00 60.65 62.40 3g3s s ILE 186 Cb -0.15 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 3g3s s ILE 186 CO 0.08 0.41 -0.20 -0.70 0.00 0.00 0.00 174.94 174.52 3g3s s GLU 187 N -0.34 2.80 0.06 2.79 2.56 -0.04 -4.74 118.70 121.80 3g3s s GLU 187 Ca 0.38 -0.82 0.07 0.00 0.00 0.00 0.00 54.97 54.60 3g3s s GLU 187 Cb -0.21 -2.32 -0.03 0.00 2.00 0.00 0.00 34.13 33.57 3g3s s GLU 187 CO 0.24 0.36 -0.19 0.14 -0.56 0.00 0.00 175.26 175.25 3g3s s VAL 188 N -0.07 1.49 -0.07 3.70 -7.23 -1.26 -0.76 120.40 116.19 3g3s s VAL 188 Ca -0.05 -1.26 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 3g3s s VAL 188 Cb -0.14 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.49 3g3s s VAL 188 CO 0.04 0.04 0.38 -1.81 -0.31 0.00 0.00 175.10 173.44 3g3s s ASP 189 N -1.43 -0.32 -0.00 4.85 1.01 -0.45 -5.01 116.67 115.33 3g3s s ASP 189 Ca 0.05 0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.75 3g3s s ASP 189 Cb -0.09 0.53 -0.01 0.00 1.01 0.00 0.00 42.92 44.36 3g3s s ASP 189 CO 0.02 -0.34 -0.07 -0.89 0.21 0.00 0.00 175.17 174.11 3g3s s THR 190 N -0.70 0.54 0.51 -1.27 2.01 -1.26 -0.51 115.64 114.96 3g3s s THR 190 Ca -0.08 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.39 3g3s s THR 190 Cb -0.04 -0.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 3g3s s THR 190 CO 0.03 0.14 1.21 -0.60 -0.69 0.00 0.00 174.62 174.71 3g3s s ARG 191 N -0.19 3.44 0.43 4.92 3.52 -0.37 -4.90 118.95 125.80 3g3s s ARG 191 Ca 0.02 1.86 0.25 0.00 -0.13 0.00 0.00 55.73 57.74 3g3s s ARG 191 Cb -0.03 -2.24 1.29 0.00 -1.56 0.00 0.00 34.95 32.41 3g3s s ARG 191 CO -0.00 -0.84 1.71 0.93 -0.81 0.00 0.00 175.30 176.29 3g3s h GLU 192 N 1.62 0.22 -0.29 5.12 5.08 -2.01 -1.87 114.58 122.45 3g3s h GLU 192 Ca -0.50 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3g3s h GLU 192 Cb 1.27 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3g3s h GLU 192 CO 0.58 0.14 0.00 -0.40 -1.00 0.00 0.00 179.01 178.34 3g3s n ASP 193 N -4.61 2.38 -0.69 1.42 5.75 -1.26 -4.18 116.55 115.36 3g3s n ASP 193 Ca 0.31 -1.85 0.06 0.00 -0.01 0.00 0.00 54.79 53.29 3g3s n ASP 193 Cb 1.16 -0.19 0.16 0.00 -1.03 0.00 0.00 41.12 41.22 3g3s n ASP 193 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3g3s n TYR 194 N 0.79 0.00 -2.12 2.11 4.02 -0.70 -5.07 117.16 116.19 3g3s n TYR 194 Ca 0.17 -1.19 -0.31 0.00 -0.01 0.00 0.00 57.90 56.56 3g3s n TYR 194 Cb 0.43 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.53 3g3s n TYR 194 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3g3s s ARG 195 N -2.47 3.71 0.00 -0.72 0.52 -1.25 -4.17 118.95 114.57 3g3s s ARG 195 Ca 0.35 0.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 3g3s s ARG 195 Cb 0.35 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.69 3g3s s ARG 195 CO -0.07 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.23 3g3s n GLY 196 N -2.31 0.68 0.57 -3.53 0.00 -1.26 -4.92 105.19 94.43 3g3s n GLY 196 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3g3s n GLY 196 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g3s n LEU 197 N 0.00 2.40 -1.32 0.99 4.77 -1.26 -4.99 117.00 117.59 3g3s n LEU 197 Ca 0.00 -1.37 -0.15 0.00 -0.03 0.00 0.00 56.01 54.45 3g3s n LEU 197 Cb 0.00 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 3g3s n LEU 197 CO 0.00 0.52 -0.16 0.61 -1.33 0.00 0.00 177.39 177.03 3g3s n GLY 198 N 0.66 1.08 0.05 -0.72 0.00 -1.26 -4.93 105.19 100.06 3g3s n GLY 198 Ca 0.09 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 3g3s n GLY 198 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g3s h LEU 199 N 0.00 0.01 -1.38 0.99 3.38 -1.94 -2.33 115.31 114.04 3g3s h LEU 199 Ca -0.33 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 3g3s h LEU 199 Cb 1.07 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3g3s h LEU 199 CO 0.45 0.23 -0.05 0.00 0.09 0.00 0.00 178.44 179.16 3g3s h ALA 200 N 0.78 1.50 -0.42 1.53 0.00 -1.91 -0.96 119.26 119.77 3g3s h ALA 200 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3g3s h ALA 200 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3g3s h ALA 200 CO 0.00 0.36 0.15 -0.22 0.00 0.00 0.00 179.25 179.54 3g3s h LYS 201 N 0.33 0.65 -0.44 0.00 3.64 -1.95 -1.10 116.57 117.70 3g3s h LYS 201 Ca 0.07 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3g3s h LYS 201 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3g3s h LYS 201 CO 0.01 0.62 0.19 0.00 -2.27 0.00 0.00 179.45 178.00 3g3s h ALA 202 N 1.00 0.57 -0.41 5.00 0.00 -1.04 0.75 119.26 125.13 3g3s h ALA 202 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g3s h ALA 202 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3g3s h ALA 202 CO -0.01 0.16 0.26 0.00 0.00 0.00 0.00 179.25 179.66 3g3s h ALA 204 N 1.14 0.31 -0.40 0.00 0.00 -1.07 0.56 119.26 119.79 3g3s h ALA 204 Ca 0.15 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3g3s h ALA 204 Cb -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 3g3s h ALA 204 CO -0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 179.25 178.96 3g3s h ALA 205 N 1.01 0.25 -0.60 0.00 0.00 -0.63 -0.22 119.26 119.06 3g3s h ALA 205 Ca 0.09 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3g3s h ALA 205 Cb 0.07 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3g3s h ALA 205 CO -0.01 -0.46 0.17 0.37 0.00 0.00 0.00 179.25 179.31 3g3s h GLN 206 N -0.01 0.92 -0.45 0.00 5.75 -0.50 -2.13 115.11 118.69 3g3s h GLN 206 Ca 0.20 -0.18 -0.14 0.00 -0.15 0.00 0.00 58.65 58.37 3g3s h GLN 206 Cb 0.31 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3g3s h GLN 206 CO -0.42 0.80 -0.27 1.25 -2.65 0.00 0.00 178.83 177.54 3g3s h LEU 207 N 0.89 1.01 -0.18 -2.39 5.85 -0.12 -0.92 115.31 119.45 3g3s h LEU 207 Ca 0.20 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3g3s h LEU 207 Cb 0.28 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3g3s h LEU 207 CO -0.01 1.21 0.08 0.40 -0.34 0.00 0.00 178.44 179.79 3g3s h ILE 208 N 0.81 0.99 -0.63 4.05 2.04 -0.74 0.66 117.51 124.69 3g3s h ILE 208 Ca 0.09 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3g3s h ILE 208 Cb 0.86 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3g3s h ILE 208 CO 0.08 0.03 0.40 -0.07 0.00 0.00 0.00 178.15 178.59 3g3s h LEU 209 N 0.18 0.74 -0.93 1.44 3.38 -1.23 -0.75 115.31 118.15 3g3s h LEU 209 Ca 0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3g3s h LEU 209 Cb 0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3g3s h LEU 209 CO -0.05 0.55 0.42 0.00 0.09 0.00 0.00 178.44 179.45 3g3s h ALA 210 N 1.22 1.17 0.04 1.53 0.00 -0.87 0.44 119.26 122.79 3g3s h ALA 210 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g3s h ALA 210 Cb -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3g3s h ALA 210 CO -0.05 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 3g3s h LEU 212 N -0.19 0.54 -1.78 0.00 3.38 -0.99 0.31 115.31 116.58 3g3s h LEU 212 Ca -0.01 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.12 3g3s h LEU 212 Cb 0.17 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3g3s h LEU 212 CO 0.01 0.38 0.47 -0.78 0.09 0.00 0.00 178.44 178.61 3g3s h ASP 213 N 0.65 0.20 -0.48 -0.43 3.58 -0.83 -0.10 116.42 119.00 3g3s h ASP 213 Ca 0.20 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3g3s h ASP 213 Cb -0.01 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3g3s h ASP 213 CO -0.08 0.10 0.00 0.54 -2.88 0.00 0.00 179.24 176.93 3g3s n ARG 214 N -4.42 2.48 -1.71 0.28 1.74 -0.62 -4.97 116.66 109.45 3g3s n ARG 214 Ca 0.13 -2.26 -0.11 0.00 -0.77 0.00 0.00 57.85 54.83 3g3s n ARG 214 Cb 0.60 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3g3s n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3s n GLY 215 N 1.51 0.69 3.84 -0.13 0.00 -0.05 -5.02 105.19 106.03 3g3s n GLY 215 Ca 0.20 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3g3s n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3s s LEU 216 N -2.91 4.08 -0.19 0.99 1.43 0.95 -4.90 118.68 118.12 3g3s s LEU 216 Ca 0.00 0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.06 3g3s s LEU 216 Cb 0.00 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 3g3s s LEU 216 CO 0.00 0.21 0.60 -0.47 0.23 0.00 0.00 176.35 176.92 3g3s s TYR 217 N -1.37 3.38 -0.53 0.29 5.04 0.42 -3.60 117.35 120.97 3g3s s TYR 217 Ca 0.29 0.90 -0.23 0.00 -2.44 0.00 0.00 57.07 55.59 3g3s s TYR 217 Cb -0.12 -2.76 0.04 0.00 0.35 0.00 0.00 41.96 39.47 3g3s s TYR 217 CO 0.22 -0.14 0.87 -1.25 -1.34 0.00 0.00 175.55 173.91 3g3s s PRO 218 N 1.77 3.30 0.16 4.97 0.04 -1.26 -1.60 135.00 142.38 3g3s s PRO 218 Ca 0.28 -0.37 -0.21 0.00 0.04 0.00 0.00 61.00 60.74 3g3s s PRO 218 Cb -0.16 -4.05 -0.08 0.00 0.04 0.00 0.00 34.50 30.25 3g3s s PRO 218 CO 0.10 -1.41 0.68 0.45 0.04 0.00 0.00 177.00 176.87 3g3s s SER 219 N 2.76 7.13 -0.09 6.66 0.15 0.10 -4.95 113.70 125.46 3g3s s SER 219 Ca 0.27 1.41 0.03 0.00 0.70 0.00 0.00 55.95 58.36 3g3s s SER 219 Cb -0.14 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 3g3s s SER 219 CO 0.18 0.15 -0.18 0.86 1.20 0.00 0.00 173.24 175.45 3g3s s TRP 220 N -1.31 2.04 -0.14 3.44 -0.11 -1.26 -0.52 118.94 121.07 3g3s s TRP 220 Ca 0.37 -0.85 -0.02 0.00 1.22 0.00 0.00 56.10 56.82 3g3s s TRP 220 Cb -0.19 -1.42 0.05 0.00 -1.50 0.00 0.00 33.47 30.41 3g3s s TRP 220 CO 0.22 -0.39 0.02 0.34 -4.62 0.00 0.00 176.95 172.52 3g3s s ASP 221 N 0.61 2.38 -0.08 5.86 2.15 -1.26 -3.79 116.67 122.53 3g3s s ASP 221 Ca -0.14 -0.52 -0.24 0.00 0.43 0.00 0.00 52.55 52.08 3g3s s ASP 221 Cb -0.16 -0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 41.87 3g3s s ASP 221 CO 0.05 -0.26 0.71 0.00 -0.17 0.00 0.00 175.17 175.50 3g3s s ALA 222 N 1.90 3.35 -0.28 3.66 0.00 0.15 -4.94 121.76 125.59 3g3s s ALA 222 Ca 0.02 0.12 0.20 0.00 0.00 0.00 0.00 51.96 52.30 3g3s s ALA 222 Cb -0.15 -2.98 0.30 0.00 0.00 0.00 0.00 23.12 20.30 3g3s s ALA 222 CO -0.07 -0.16 1.57 1.25 0.00 0.00 0.00 175.76 178.36 3g3s h HIS 223 N 6.82 0.00 -3.83 0.00 2.76 -1.91 0.08 115.15 119.07 3g3s h HIS 223 Ca -0.40 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.68 3g3s h HIS 223 Cb 1.19 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.03 3g3s h HIS 223 CO 0.65 0.20 -0.26 0.95 -1.30 0.00 0.00 177.93 178.17 3g3s s THR 224 N -3.15 0.04 0.22 6.26 -4.23 -1.26 -4.64 115.64 108.87 3g3s s THR 224 Ca 0.05 -1.39 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 3g3s s THR 224 Cb 0.06 -1.96 0.18 0.00 1.34 0.00 0.00 72.50 72.12 3g3s s THR 224 CO 0.69 -0.18 1.83 -0.07 -0.54 0.00 0.00 174.62 176.35 3g3s h LEU 225 N 2.45 1.08 -1.14 4.79 3.38 -1.91 -0.26 115.31 123.71 3g3s h LEU 225 Ca -0.30 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3g3s h LEU 225 Cb 1.24 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3g3s h LEU 225 CO 0.44 0.89 0.59 0.74 0.09 0.00 0.00 178.44 181.20 3g3s h THR 226 N 1.19 1.12 -0.43 0.22 2.02 -1.99 0.70 112.91 115.74 3g3s h THR 226 Ca 0.29 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 3g3s h THR 226 Cb 0.08 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3g3s h THR 226 CO -0.04 0.20 -0.26 -1.28 0.37 0.00 0.00 175.52 174.50 3g3s h SER 227 N 1.09 0.97 -0.31 4.18 0.87 -1.73 -2.02 113.55 116.60 3g3s h SER 227 Ca 0.37 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3g3s h SER 227 Cb 0.09 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3g3s h SER 227 CO -0.12 1.18 0.21 0.25 -0.53 0.00 0.00 176.83 177.82 3g3s h LEU 228 N 0.77 0.36 -0.66 2.23 5.85 -0.26 -1.42 115.31 122.18 3g3s h LEU 228 Ca 0.09 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.91 3g3s h LEU 228 Cb 0.84 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 3g3s h LEU 228 CO 0.07 0.27 0.22 0.11 -0.34 0.00 0.00 178.44 178.77 3g3s h LYS 229 N 0.42 0.36 -0.65 1.25 6.56 -0.70 0.11 116.57 123.91 3g3s h LYS 229 Ca 0.11 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 3g3s h LYS 229 Cb -0.04 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.51 3g3s h LYS 229 CO -0.02 0.24 0.31 1.25 -2.06 0.00 0.00 179.45 179.17 3g3s h LEU 230 N 0.37 0.85 -0.56 2.94 5.85 -1.04 -2.13 115.31 121.60 3g3s h LEU 230 Ca 0.35 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3g3s h LEU 230 Cb 0.51 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3g3s h LEU 230 CO -0.38 0.75 0.35 0.00 -0.34 0.00 0.00 178.44 178.81 3g3s h ALA 231 N 1.14 0.71 -0.70 1.25 0.00 -0.18 -1.76 119.26 119.72 3g3s h ALA 231 Ca 0.22 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3g3s h ALA 231 Cb 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3g3s h ALA 231 CO -0.03 0.09 0.41 0.93 0.00 0.00 0.00 179.25 180.65 3g3s h GLU 232 N 0.70 0.74 0.00 0.00 5.08 -0.64 0.58 114.58 121.04 3g3s h GLU 232 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3g3s h GLU 232 Cb -0.02 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3g3s h GLU 232 CO -0.08 0.49 -0.02 0.87 -1.00 0.00 0.00 179.01 179.27 3g3s h LYS 233 N 0.76 0.00 -0.00 2.33 1.57 -0.66 -0.95 116.57 119.62 3g3s h LYS 233 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3g3s h LYS 233 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3g3s h LYS 233 CO -0.16 0.02 -0.28 1.28 -0.57 0.00 0.00 179.45 179.74 3g3s n LEU 234 N -3.93 0.40 0.00 2.94 4.77 0.11 -4.94 117.00 116.34 3g3s n LEU 234 Ca -0.03 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3g3s n LEU 234 Cb 0.11 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3g3s n LEU 234 CO 0.29 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3g3s n GLY 235 N 1.45 0.96 3.80 -0.72 0.00 -0.36 -4.73 105.19 105.59 3g3s n GLY 235 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3g3s n GLY 235 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3s s TYR 236 N -2.00 3.19 -0.06 1.61 2.02 -0.73 -4.58 117.35 116.79 3g3s s TYR 236 Ca 0.00 1.62 0.02 0.00 -0.37 0.00 0.00 57.07 58.34 3g3s s TYR 236 Cb 0.00 -3.04 -0.03 0.00 -0.40 0.00 0.00 41.96 38.50 3g3s s TYR 236 CO 0.00 -0.56 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.11 3g3s s GLU 237 N -2.90 2.67 0.34 -0.62 2.02 -1.26 -3.84 118.70 115.11 3g3s s GLU 237 Ca 0.62 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.70 3g3s s GLU 237 Cb -0.17 -2.50 -0.11 0.00 0.10 0.00 0.00 34.13 31.45 3g3s s GLU 237 CO 0.21 0.63 1.55 -1.17 0.02 0.00 0.00 175.26 176.50 3g3s s LEU 238 N -0.72 4.32 0.00 1.80 2.96 -1.26 -0.98 118.68 124.81 3g3s s LEU 238 Ca 0.11 3.03 0.00 0.00 -0.22 0.00 0.00 54.13 57.05 3g3s s LEU 238 Cb -0.11 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3g3s s LEU 238 CO 0.01 -0.92 0.00 -0.67 -1.32 0.00 0.00 176.35 173.45 3g3s n ASP 239 N 1.24 0.00 -3.52 3.68 2.03 0.68 -4.52 116.55 116.14 3g3s n ASP 239 Ca 0.04 0.08 -0.16 0.00 0.52 0.00 0.00 54.79 55.28 3g3s n ASP 239 Cb 0.38 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 3g3s n ASP 239 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3g3s s LYS 240 N -0.98 0.98 0.33 -0.67 -2.85 -1.06 -4.99 119.74 110.49 3g3s s LYS 240 Ca 0.00 0.15 -0.27 0.00 -1.00 0.00 0.00 55.97 54.85 3g3s s LYS 240 Cb 0.00 0.46 -0.09 0.00 -2.06 0.00 0.00 37.83 36.14 3g3s s LYS 240 CO 0.00 -0.32 1.10 0.00 0.10 0.00 0.00 175.35 176.22 3g3s s ALA 241 N -1.48 3.29 0.04 0.59 0.00 -1.26 -1.55 121.76 121.40 3g3s s ALA 241 Ca -0.08 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 3g3s s ALA 241 Cb -0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3g3s s ALA 241 CO 0.06 -0.23 0.02 1.52 0.00 0.00 0.00 175.76 177.13 3g3s s TYR 242 N -1.33 0.36 0.25 0.00 -0.85 0.44 -4.94 117.35 111.28 3g3s s TYR 242 Ca 0.50 -0.79 -0.30 0.00 -0.52 0.00 0.00 57.07 55.96 3g3s s TYR 242 Cb -0.29 -0.26 -0.09 0.00 0.38 0.00 0.00 41.96 41.69 3g3s s TYR 242 CO 0.37 -0.36 1.14 -0.65 -1.52 0.00 0.00 175.55 174.53 3g3s s GLN 243 N -3.13 4.58 0.11 -3.49 -0.21 -1.26 -1.89 119.66 114.37 3g3s s GLN 243 Ca -0.00 1.84 -0.08 0.00 0.02 0.00 0.00 55.36 57.14 3g3s s GLN 243 Cb 0.02 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.82 3g3s s GLN 243 CO -0.07 0.10 0.19 0.00 -2.12 0.00 0.00 175.29 173.39 3g3s s ALA 244 N -0.82 -0.02 0.04 6.09 0.00 -0.57 -4.28 121.76 122.20 3g3s s ALA 244 Ca 0.47 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3g3s s ALA 244 Cb -0.32 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3g3s s ALA 244 CO 0.40 -0.53 0.01 0.71 0.00 0.00 0.00 175.76 176.34 3g3s s TYR 245 N -3.91 0.39 0.06 0.00 1.51 -0.08 -1.35 117.35 113.97 3g3s s TYR 245 Ca 0.10 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.34 3g3s s TYR 245 Cb 0.05 -0.29 -0.03 0.00 -0.11 0.00 0.00 41.96 41.58 3g3s s TYR 245 CO -0.07 -0.35 -0.06 -1.21 -1.11 0.00 0.00 175.55 172.75 3g3s s GLU 246 N -3.20 0.61 0.37 -0.62 2.02 -0.54 -0.21 118.70 117.14 3g3s s GLU 246 Ca 0.00 -0.97 -0.26 0.00 0.02 0.00 0.00 54.97 53.76 3g3s s GLU 246 Cb 0.03 -0.17 -0.09 0.00 0.10 0.00 0.00 34.13 33.99 3g3s s GLU 246 CO -0.07 0.00 1.18 -1.58 0.02 0.00 0.00 175.26 174.81 3g3s s TRP 247 N -2.33 3.13 -2.08 1.61 0.23 -1.26 0.18 118.94 118.42 3g3s s TRP 247 Ca -0.02 1.55 0.31 0.00 -2.03 0.00 0.00 56.10 55.92 3g3s s TRP 247 Cb -0.04 -3.42 1.78 0.00 0.03 0.00 0.00 33.47 31.83 3g3s s TRP 247 CO -0.02 -1.29 2.16 2.89 0.96 0.00 0.00 176.95 181.65