#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1av4 s SER 10 N 0.00 7.00 0.00 0.00 0.15 -1.26 -4.93 113.70 114.65 1av4 s SER 10 Ca 0.00 2.19 0.23 0.00 0.70 0.00 0.00 55.95 59.08 1av4 s SER 10 Cb 0.00 -2.61 1.16 0.00 -1.71 0.00 0.00 66.02 62.86 1av4 s SER 10 CO 0.00 -0.33 1.76 -0.81 1.20 0.00 0.00 173.24 175.06 1av4 n PRO 11 N 0.61 0.31 -0.32 5.44 -0.04 -1.26 -2.55 135.00 137.18 1av4 n PRO 11 Ca 0.02 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1av4 n PRO 11 Cb 0.47 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.68 1av4 n PRO 11 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1av4 n PHE 12 N -1.30 0.82 -1.38 0.54 3.72 -1.26 -4.80 117.46 113.80 1av4 n PHE 12 Ca 0.11 -0.54 -0.32 0.00 -0.05 0.00 0.00 57.45 56.65 1av4 n PHE 12 Cb 0.19 -0.06 0.09 0.00 -0.94 0.00 0.00 39.48 38.76 1av4 n PHE 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1av4 s ARG 13 N -1.22 2.24 0.52 -1.08 1.70 -1.06 -4.76 118.95 115.30 1av4 s ARG 13 Ca 0.38 1.42 -0.21 0.00 -0.47 0.00 0.00 55.73 56.84 1av4 s ARG 13 Cb 0.21 -1.88 -0.06 0.00 -0.57 0.00 0.00 34.95 32.65 1av4 s ARG 13 CO 0.23 -1.69 1.18 -0.51 -1.08 0.00 0.00 175.30 173.43 1av4 s LEU 14 N -5.51 3.85 0.42 -1.89 1.43 -1.26 -4.97 118.68 110.75 1av4 s LEU 14 Ca 0.66 2.33 -0.26 0.00 -1.03 0.00 0.00 54.13 55.84 1av4 s LEU 14 Cb -0.21 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 1av4 s LEU 14 CO 0.49 -1.21 1.35 0.00 0.23 0.00 0.00 176.35 177.21 1av4 s ALA 15 N -1.59 3.28 0.33 4.21 0.00 -1.26 -5.01 121.76 121.71 1av4 s ALA 15 Ca 0.70 1.32 0.07 0.00 0.00 0.00 0.00 51.96 54.05 1av4 s ALA 15 Cb -0.29 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1av4 s ALA 15 CO 0.33 -0.94 0.28 -1.54 0.00 0.00 0.00 175.76 173.89 1av4 s SER 16 N -0.63 5.30 0.19 0.00 1.04 -1.26 -4.33 113.70 114.00 1av4 s SER 16 Ca 0.58 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1av4 s SER 16 Cb -0.40 -1.01 0.19 0.00 0.10 0.00 0.00 66.02 64.90 1av4 s SER 16 CO 0.52 -0.32 1.78 0.00 0.98 0.00 0.00 173.24 176.20 1av4 h ALA 17 N 1.28 0.72 -0.11 5.32 0.00 -1.95 -1.01 119.26 123.52 1av4 h ALA 17 Ca -0.45 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1av4 h ALA 17 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1av4 h ALA 17 CO 0.59 -0.10 0.08 0.78 0.00 0.00 0.00 179.25 180.59 1av4 h GLY 18 N 0.50 0.00 1.42 0.00 0.00 -1.99 -1.12 103.07 101.88 1av4 h GLY 18 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.35 1av4 h GLY 18 CO -0.20 0.00 -0.97 0.83 0.00 0.00 0.00 176.54 176.20 1av4 h GLU 19 N 0.00 0.52 -0.21 4.80 5.08 -1.60 -2.26 114.58 120.92 1av4 h GLU 19 Ca 0.05 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1av4 h GLU 19 Cb 0.20 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1av4 h GLU 19 CO -0.00 1.19 0.08 0.82 -1.00 0.00 0.00 179.01 180.10 1av4 h ILE 20 N 0.30 1.16 -0.67 3.13 1.08 -0.71 -1.71 117.51 120.09 1av4 h ILE 20 Ca -0.10 -0.49 0.07 0.00 -0.39 0.00 0.00 64.86 63.95 1av4 h ILE 20 Cb 1.61 1.11 -0.06 0.00 -3.07 0.00 0.00 36.82 36.41 1av4 h ILE 20 CO 0.18 0.16 0.35 0.28 -0.69 0.00 0.00 178.15 178.43 1av4 h SER 21 N 0.18 0.50 -0.91 1.72 0.02 -1.26 -1.29 113.55 112.52 1av4 h SER 21 Ca 0.07 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1av4 h SER 21 Cb 0.18 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1av4 h SER 21 CO -0.01 0.32 0.51 -0.33 -1.14 0.00 0.00 176.83 176.18 1av4 h GLU 22 N 0.64 1.26 -0.65 3.45 4.39 -1.12 0.95 114.58 123.50 1av4 h GLU 22 Ca 0.31 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1av4 h GLU 22 Cb 0.24 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1av4 h GLU 22 CO -0.21 0.91 0.19 0.28 -1.16 0.00 0.00 179.01 179.02 1av4 h VAL 23 N 1.26 1.25 -0.16 3.13 2.07 -0.45 0.99 116.25 124.34 1av4 h VAL 23 Ca 0.32 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1av4 h VAL 23 Cb 0.01 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1av4 h VAL 23 CO -0.05 0.33 0.02 -0.61 0.02 0.00 0.00 177.57 177.28 1av4 h GLN 24 N 0.97 0.28 -0.69 1.57 4.15 -0.42 -0.99 115.11 119.98 1av4 h GLN 24 Ca 0.21 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1av4 h GLN 24 Cb 0.30 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1av4 h GLN 24 CO -0.01 0.46 0.34 0.78 -1.93 0.00 0.00 178.83 178.47 1av4 h GLY 25 N 0.05 1.04 1.23 2.39 0.00 -0.55 -0.64 103.07 106.58 1av4 h GLY 25 Ca 0.05 -0.49 -0.19 0.00 0.00 0.00 0.00 47.33 46.70 1av4 h GLY 25 CO 0.00 0.47 -0.59 -2.22 0.00 0.00 0.00 176.54 174.20 1av4 h ILE 26 N 0.97 1.28 -0.17 2.60 2.04 -0.64 -1.98 117.51 121.60 1av4 h ILE 26 Ca 0.24 -1.79 -0.16 0.00 1.00 0.00 0.00 64.86 64.15 1av4 h ILE 26 Cb 0.09 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1av4 h ILE 26 CO -0.03 0.58 -0.55 -0.07 0.00 0.00 0.00 178.15 178.07 1av4 h LEU 27 N 0.61 0.58 0.18 1.44 3.38 -0.96 -2.19 115.31 118.35 1av4 h LEU 27 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1av4 h LEU 27 Cb 1.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1av4 h LEU 27 CO 0.13 1.01 -0.09 0.03 0.09 0.00 0.00 178.44 179.61 1av4 h ARG 28 N 0.40 -0.23 -0.77 1.13 3.08 -1.09 0.15 114.38 117.04 1av4 h ARG 28 Ca 0.01 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1av4 h ARG 28 Cb 1.09 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 1av4 h ARG 28 CO 0.10 -0.00 0.51 1.15 -1.07 0.00 0.00 179.97 180.66 1av4 h THR 29 N -0.44 1.03 0.00 2.04 2.02 -1.37 -0.41 112.91 115.78 1av4 h THR 29 Ca -0.02 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1av4 h THR 29 Cb 0.34 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1av4 h THR 29 CO 0.04 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.08 1av4 n ALA 30 N -2.43 2.32 -1.81 6.16 0.00 -0.82 -4.90 120.51 119.02 1av4 n ALA 30 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1av4 n ALA 30 Cb 0.22 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1av4 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1av4 n GLY 31 N 1.10 0.34 0.00 0.00 0.00 -0.16 -4.93 105.19 101.53 1av4 n GLY 31 Ca 0.11 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.42 1av4 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1av4 n LEU 32 N -0.48 0.68 -3.07 0.99 4.77 0.48 -4.67 117.00 115.71 1av4 n LEU 32 Ca -0.04 -0.48 -0.27 0.00 -0.03 0.00 0.00 56.01 55.19 1av4 n LEU 32 Cb 0.42 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1av4 n LEU 32 CO 0.05 0.17 0.13 0.18 -1.33 0.00 0.00 177.39 176.59 1av4 n LEU 33 N -1.39 4.26 -4.81 2.23 4.77 -1.00 -4.92 117.00 116.14 1av4 n LEU 33 Ca 0.03 -5.62 -0.30 0.00 -0.03 0.00 0.00 56.01 50.09 1av4 n LEU 33 Cb 0.24 -0.57 0.18 0.00 -2.33 0.00 0.00 43.42 40.94 1av4 n LEU 33 CO 0.31 2.28 0.77 -0.83 -1.33 0.00 0.00 177.39 178.59 1av4 s GLY 34 N -3.21 1.66 0.66 -0.72 0.00 -1.26 -4.71 107.32 99.74 1av4 s GLY 34 Ca 0.47 -0.91 0.44 0.00 0.00 0.00 0.00 44.72 44.71 1av4 s GLY 34 CO -0.11 -0.20 2.35 -0.56 0.00 0.00 0.00 173.10 174.59 1av4 h PRO 35 N -1.77 0.00 -0.31 2.90 0.13 -2.01 -1.60 132.00 129.34 1av4 h PRO 35 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1av4 h PRO 35 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1av4 h PRO 35 CO 0.46 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1av4 n GLU 36 N -3.11 2.13 -3.95 0.86 4.71 -1.26 -4.93 120.64 115.09 1av4 n GLU 36 Ca -0.03 -1.71 -0.32 0.00 -0.01 0.00 0.00 57.16 55.09 1av4 n GLU 36 Cb 0.08 -1.45 -0.05 0.00 -1.01 0.00 0.00 31.44 29.02 1av4 n GLU 36 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1av4 s LYS 37 N -1.60 3.34 0.02 3.49 -0.14 -0.60 -0.78 119.74 123.45 1av4 s LYS 37 Ca 0.35 -0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.58 1av4 s LYS 37 Cb 0.20 -3.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 1av4 s LYS 37 CO 0.28 0.64 -0.07 1.03 -0.76 0.00 0.00 175.35 176.47 1av4 s ARG 38 N -2.10 0.54 -0.39 1.68 1.81 0.10 -4.84 118.95 115.75 1av4 s ARG 38 Ca 0.29 -0.45 -0.20 0.00 -1.72 0.00 0.00 55.73 53.65 1av4 s ARG 38 Cb -0.13 -0.45 0.01 0.00 -0.45 0.00 0.00 34.95 33.93 1av4 s ARG 38 CO 0.21 0.11 0.63 0.42 -0.68 0.00 0.00 175.30 175.99 1av4 s ILE 39 N -0.62 4.87 -0.04 1.52 1.01 -0.02 0.72 121.20 128.63 1av4 s ILE 39 Ca -0.02 0.38 0.13 0.00 0.00 0.00 0.00 60.65 61.14 1av4 s ILE 39 Cb -0.05 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.14 1av4 s ILE 39 CO 0.00 -0.42 0.96 0.00 0.00 0.00 0.00 174.94 175.48 1av4 h ALA 40 N 8.63 0.63 -2.07 9.38 0.00 -0.99 -3.38 119.26 131.45 1av4 h ALA 40 Ca -0.26 -1.03 -0.04 0.00 0.00 0.00 0.00 54.91 53.57 1av4 h ALA 40 Cb 1.11 0.20 -0.21 0.00 0.00 0.00 0.00 17.79 18.88 1av4 h ALA 40 CO 0.85 1.20 0.08 -0.47 0.00 0.00 0.00 179.25 180.92 1av4 s TYR 41 N -2.76 -0.78 -0.15 0.00 5.04 -1.21 -4.74 117.35 112.75 1av4 s TYR 41 Ca -0.02 1.87 -0.08 0.00 -2.44 0.00 0.00 57.07 56.40 1av4 s TYR 41 Cb 0.09 0.30 0.06 0.00 0.35 0.00 0.00 41.96 42.75 1av4 s TYR 41 CO 0.81 -0.38 0.35 -1.17 -1.34 0.00 0.00 175.55 173.82 1av4 s LEU 42 N 0.50 0.05 0.07 6.97 0.20 -1.26 -0.39 118.68 124.82 1av4 s LEU 42 Ca -0.01 0.77 -0.26 0.00 0.69 0.00 0.00 54.13 55.32 1av4 s LEU 42 Cb -0.05 1.14 0.08 0.00 -0.43 0.00 0.00 46.19 46.93 1av4 s LEU 42 CO -0.01 -0.19 0.71 -0.83 -0.29 0.00 0.00 176.35 175.75 1av4 s GLY 43 N 1.41 -0.55 0.35 7.98 0.00 -0.73 -4.62 107.32 111.15 1av4 s GLY 43 Ca -0.09 0.82 -0.27 0.00 0.00 0.00 0.00 44.72 45.18 1av4 s GLY 43 CO -0.11 0.35 1.12 -1.34 0.00 0.00 0.00 173.10 173.12 1av4 s VAL 44 N -3.13 3.38 0.08 1.40 -7.23 -1.26 -0.75 120.40 112.89 1av4 s VAL 44 Ca 0.01 1.24 -0.13 0.00 -1.81 0.00 0.00 61.98 61.28 1av4 s VAL 44 Cb -0.01 -3.73 -0.06 0.00 0.56 0.00 0.00 36.38 33.14 1av4 s VAL 44 CO -0.08 0.18 0.47 -0.76 -0.31 0.00 0.00 175.10 174.59 1av4 s LEU 45 N -2.07 4.39 0.40 1.32 1.43 -0.03 -4.84 118.68 119.28 1av4 s LEU 45 Ca 0.52 0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 54.34 1av4 s LEU 45 Cb -0.30 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 1av4 s LEU 45 CO 0.38 0.20 1.12 -1.81 0.23 0.00 0.00 176.35 176.47 1av4 s ASP 46 N -1.51 6.58 0.58 2.29 1.01 -1.26 -4.67 116.67 119.69 1av4 s ASP 46 Ca 0.32 2.23 -0.19 0.00 0.71 0.00 0.00 52.55 55.62 1av4 s ASP 46 Cb -0.15 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.12 1av4 s ASP 46 CO 0.17 -0.63 0.95 -2.65 0.21 0.00 0.00 175.17 173.22 1av4 n PRO 47 N -0.01 0.94 -1.06 8.23 -0.02 -1.26 -4.94 135.00 136.88 1av4 n PRO 47 Ca 0.05 0.36 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1av4 n PRO 47 Cb 0.48 -2.14 0.12 0.00 -0.02 0.00 0.00 33.50 31.94 1av4 n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1av4 s ALA 48 N -1.50 1.89 0.25 3.55 0.00 -1.26 -4.94 121.76 119.74 1av4 s ALA 48 Ca 0.74 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1av4 s ALA 48 Cb -0.43 -3.32 0.41 0.00 0.00 0.00 0.00 23.12 19.78 1av4 s ALA 48 CO 0.49 -2.18 1.80 -0.09 0.00 0.00 0.00 175.76 175.77 1av4 h ARG 49 N -1.44 0.73 -2.84 0.00 9.65 -2.05 -2.65 114.38 115.79 1av4 h ARG 49 Ca -0.44 -0.04 -0.73 0.00 -1.10 0.00 0.00 59.98 57.66 1av4 h ARG 49 Cb 1.25 -0.16 -0.11 0.00 -1.39 0.00 0.00 29.97 29.56 1av4 h ARG 49 CO 0.48 0.48 2.56 0.41 2.80 0.00 0.00 179.97 186.70 1av4 n GLY 50 N -1.32 5.01 0.94 2.80 0.00 -1.26 -4.73 105.19 106.63 1av4 n GLY 50 Ca 0.14 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 1av4 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1av4 n ALA 51 N 2.39 2.64 1.04 4.61 0.00 -1.00 -4.28 120.51 125.91 1av4 n ALA 51 Ca 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1av4 n ALA 51 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1av4 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1av4 n GLY 52 N 0.32 1.27 3.68 0.00 0.00 -1.26 -4.80 105.19 104.40 1av4 n GLY 52 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1av4 n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1av4 s SER 53 N -0.11 4.93 0.00 1.61 0.01 -1.26 -4.99 113.70 113.90 1av4 s SER 53 Ca 0.00 -0.27 0.31 0.00 1.31 0.00 0.00 55.95 57.29 1av4 s SER 53 Cb 0.00 -1.13 1.61 0.00 0.21 0.00 0.00 66.02 66.71 1av4 s SER 53 CO 0.00 0.13 2.07 -0.62 0.41 0.00 0.00 173.24 175.23 1av4 n GLU 54 N 0.22 0.93 -1.68 12.44 -0.58 -1.26 -4.77 120.64 125.93 1av4 n GLU 54 Ca -0.10 -0.17 -0.26 0.00 -0.42 0.00 0.00 57.16 56.21 1av4 n GLU 54 Cb 0.53 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 1av4 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1av4 s ALA 55 N -2.18 1.30 -1.60 0.62 0.00 -1.26 -4.83 121.76 113.81 1av4 s ALA 55 Ca 0.40 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1av4 s ALA 55 Cb 0.21 -4.47 -0.07 0.00 0.00 0.00 0.00 23.12 18.80 1av4 s ALA 55 CO 0.40 -5.06 2.90 -1.91 0.00 0.00 0.00 175.76 172.09 1av4 n GLU 56 N 8.93 3.79 -2.59 0.00 4.07 -1.26 -4.86 120.64 128.71 1av4 n GLU 56 Ca 0.40 -2.33 -0.41 0.00 -0.06 0.00 0.00 57.16 54.75 1av4 n GLU 56 Cb 0.49 -2.79 -0.03 0.00 -0.06 0.00 0.00 31.44 29.05 1av4 n GLU 56 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1av4 s ASP 57 N 2.00 6.44 -0.60 4.31 2.15 -1.26 -4.83 116.67 124.88 1av4 s ASP 57 Ca 0.68 -1.30 -0.28 0.00 0.43 0.00 0.00 52.55 52.09 1av4 s ASP 57 Cb 0.18 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.27 1av4 s ASP 57 CO -0.06 -1.54 1.26 -0.60 -0.17 0.00 0.00 175.17 174.06 1av4 s ARG 58 N 4.93 3.42 0.10 4.34 6.06 -1.26 -4.99 118.95 131.55 1av4 s ARG 58 Ca 0.42 0.22 0.04 0.00 -2.50 0.00 0.00 55.73 53.91 1av4 s ARG 58 Cb -0.02 -4.06 -0.04 0.00 0.06 0.00 0.00 34.95 30.88 1av4 s ARG 58 CO -0.05 -1.81 0.10 1.03 -2.50 0.00 0.00 175.30 172.07 1av4 s ARG 59 N 5.20 2.89 -0.00 5.12 0.52 -1.26 -1.35 118.95 130.07 1av4 s ARG 59 Ca 0.44 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1av4 s ARG 59 Cb -0.08 -2.71 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 1av4 s ARG 59 CO 0.24 0.54 -0.14 -0.06 0.02 0.00 0.00 175.30 175.90 1av4 s PHE 60 N -1.50 1.22 -0.16 -0.53 0.40 0.84 -0.85 117.98 117.39 1av4 s PHE 60 Ca 0.30 -0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1av4 s PHE 60 Cb -0.12 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 1av4 s PHE 60 CO 0.22 -0.01 0.06 0.50 0.70 0.00 0.00 175.22 176.69 1av4 s ARG 61 N -0.47 3.73 -0.01 0.44 3.52 0.07 -0.15 118.95 126.09 1av4 s ARG 61 Ca 0.05 -0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.34 1av4 s ARG 61 Cb -0.06 -3.13 -0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1av4 s ARG 61 CO -0.00 0.41 -0.08 0.08 -0.81 0.00 0.00 175.30 174.89 1av4 s VAL 62 N -0.02 0.70 -0.29 7.11 1.01 0.17 -1.78 120.40 127.31 1av4 s VAL 62 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1av4 s VAL 62 Cb -0.12 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1av4 s VAL 62 CO 0.01 0.21 0.06 -0.36 0.00 0.00 0.00 175.10 175.02 1av4 s PHE 63 N -0.03 3.13 -0.28 5.22 0.08 0.47 -0.41 117.98 126.17 1av4 s PHE 63 Ca 0.01 -1.02 -0.08 0.00 0.12 0.00 0.00 56.93 55.95 1av4 s PHE 63 Cb -0.05 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1av4 s PHE 63 CO -0.00 -0.58 0.11 0.42 -0.10 0.00 0.00 175.22 175.06 1av4 s ILE 64 N 1.48 4.41 0.15 0.64 1.01 0.15 -0.30 121.20 128.76 1av4 s ILE 64 Ca 0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1av4 s ILE 64 Cb -0.17 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 1av4 s ILE 64 CO 0.02 0.19 0.49 -2.28 0.00 0.00 0.00 174.94 173.36 1av4 s HIS 65 N 1.60 3.53 -0.22 3.97 5.65 0.22 -0.38 115.29 129.66 1av4 s HIS 65 Ca 0.05 0.87 -0.03 0.00 0.25 0.00 0.00 55.06 56.20 1av4 s HIS 65 Cb -0.16 -2.24 -0.00 0.00 -1.18 0.00 0.00 32.58 29.00 1av4 s HIS 65 CO 0.05 0.40 -0.05 0.34 -0.65 0.00 0.00 174.74 174.83 1av4 s ASP 66 N -2.01 4.23 0.27 9.88 -1.08 -1.26 0.02 116.67 126.72 1av4 s ASP 66 Ca 0.40 -0.44 0.25 0.00 -0.52 0.00 0.00 52.55 52.24 1av4 s ASP 66 Cb -0.13 -1.72 0.97 0.00 -1.46 0.00 0.00 42.92 40.58 1av4 s ASP 66 CO 0.20 -0.03 1.74 0.58 0.52 0.00 0.00 175.17 178.18 1av4 h VAL 67 N 5.75 0.00 -0.52 1.11 2.07 -1.30 -3.09 116.25 120.27 1av4 h VAL 67 Ca -0.41 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1av4 h VAL 67 Cb 1.16 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1av4 h VAL 67 CO 0.61 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.66 1av4 n SER 68 N -2.30 4.66 0.00 0.57 3.41 -1.26 -4.90 113.62 113.80 1av4 n SER 68 Ca 0.03 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1av4 n SER 68 Cb 0.27 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1av4 n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1av4 n GLY 69 N 0.57 0.76 3.81 5.00 0.00 -1.17 -5.06 105.19 109.11 1av4 n GLY 69 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1av4 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1av4 s ALA 70 N -2.97 2.51 0.29 4.61 0.00 -1.26 -4.97 121.76 119.98 1av4 s ALA 70 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1av4 s ALA 70 Cb 0.00 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 1av4 s ALA 70 CO 0.00 -1.42 1.58 1.03 0.00 0.00 0.00 175.76 176.95 1av4 s ARG 71 N -5.09 4.13 0.87 0.00 0.52 -1.26 -4.39 118.95 113.74 1av4 s ARG 71 Ca 0.59 2.56 -0.12 0.00 -0.52 0.00 0.00 55.73 58.24 1av4 s ARG 71 Cb -0.14 -3.03 0.11 0.00 0.52 0.00 0.00 34.95 32.41 1av4 s ARG 71 CO 0.55 -0.61 1.12 -1.25 0.02 0.00 0.00 175.30 175.12 1av4 s PRO 72 N -0.54 1.50 0.07 3.54 0.04 -1.26 -4.74 135.00 133.61 1av4 s PRO 72 Ca 0.63 0.47 0.03 0.00 0.04 0.00 0.00 61.00 62.17 1av4 s PRO 72 Cb -0.47 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1av4 s PRO 72 CO 0.48 -1.99 -0.10 -0.65 0.04 0.00 0.00 177.00 174.78 1av4 s GLN 73 N -5.20 0.70 -0.21 4.56 -0.21 0.49 -0.63 119.66 119.16 1av4 s GLN 73 Ca 0.63 -0.95 -0.04 0.00 0.02 0.00 0.00 55.36 55.01 1av4 s GLN 73 Cb -0.15 -0.47 -0.02 0.00 1.00 0.00 0.00 33.01 33.38 1av4 s GLN 73 CO 0.54 0.08 -0.02 -2.00 -2.12 0.00 0.00 175.29 171.77 1av4 s GLU 74 N -2.09 3.49 -0.03 2.91 2.12 -0.24 0.32 118.70 125.19 1av4 s GLU 74 Ca -0.03 -0.57 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1av4 s GLU 74 Cb -0.07 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.28 1av4 s GLU 74 CO 0.00 -0.09 -0.11 0.08 -0.54 0.00 0.00 175.26 174.60 1av4 s VAL 75 N 1.24 0.97 -0.18 3.70 1.01 0.46 -0.98 120.40 126.62 1av4 s VAL 75 Ca 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1av4 s VAL 75 Cb -0.14 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1av4 s VAL 75 CO -0.00 0.29 -0.06 -0.89 0.00 0.00 0.00 175.10 174.44 1av4 s THR 76 N 0.09 3.48 0.01 3.92 2.01 -0.42 0.45 115.64 125.18 1av4 s THR 76 Ca -0.02 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1av4 s THR 76 Cb -0.09 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1av4 s THR 76 CO 0.01 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.49 1av4 s VAL 77 N 0.83 2.40 -0.43 3.82 1.01 0.79 -0.56 120.40 128.26 1av4 s VAL 77 Ca -0.02 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 1av4 s VAL 77 Cb -0.15 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.39 1av4 s VAL 77 CO 0.01 0.47 0.28 -0.55 0.00 0.00 0.00 175.10 175.32 1av4 s SER 78 N -0.99 5.72 0.49 3.32 0.15 -0.34 -0.11 113.70 121.93 1av4 s SER 78 Ca 0.12 -1.49 0.27 0.00 0.70 0.00 0.00 55.95 55.54 1av4 s SER 78 Cb -0.10 -2.02 1.21 0.00 -1.71 0.00 0.00 66.02 63.40 1av4 s SER 78 CO 0.01 -0.56 1.95 0.58 1.20 0.00 0.00 173.24 176.43 1av4 h VAL 79 N 6.03 0.51 0.37 4.45 2.07 -1.50 -0.08 116.25 128.10 1av4 h VAL 79 Ca -0.24 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1av4 h VAL 79 Cb 1.09 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1av4 h VAL 79 CO 0.78 0.16 -0.18 0.74 0.02 0.00 0.00 177.57 179.09 1av4 h THR 80 N 0.00 0.52 0.00 2.57 2.02 -1.88 -3.29 112.91 112.85 1av4 h THR 80 Ca -0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1av4 h THR 80 Cb 0.54 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1av4 h THR 80 CO 0.02 0.10 -0.38 0.78 0.37 0.00 0.00 175.52 176.40 1av4 h ASN 81 N -0.89 0.00 -1.33 4.18 -0.26 -1.91 -3.48 115.58 111.89 1av4 h ASN 81 Ca -0.05 -0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.56 1av4 h ASN 81 Cb 0.54 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.81 1av4 h ASN 81 CO 0.08 0.03 -0.12 0.61 -1.06 0.00 0.00 177.43 176.97 1av4 n GLY 82 N 1.22 0.45 3.31 2.83 0.00 -0.07 -5.06 105.19 107.88 1av4 n GLY 82 Ca 0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 1av4 n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1av4 s THR 83 N -2.67 0.76 -0.30 2.61 -4.23 -1.07 -4.97 115.64 105.77 1av4 s THR 83 Ca 0.06 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.42 1av4 s THR 83 Cb -0.03 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1av4 s THR 83 CO 0.08 -0.21 0.38 -0.69 -0.54 0.00 0.00 174.62 173.63 1av4 s VAL 84 N -3.61 5.16 -0.03 2.29 1.01 -1.26 -1.20 120.40 122.76 1av4 s VAL 84 Ca 0.31 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 1av4 s VAL 84 Cb 0.07 -3.76 -0.22 0.00 0.00 0.00 0.00 36.38 32.47 1av4 s VAL 84 CO 0.10 0.04 1.09 0.40 0.00 0.00 0.00 175.10 176.73 1av4 h ILE 85 N 5.46 1.50 -2.59 2.22 2.04 -1.18 -3.48 117.51 121.48 1av4 h ILE 85 Ca -0.31 -1.82 -0.09 0.00 1.00 0.00 0.00 64.86 63.64 1av4 h ILE 85 Cb 1.15 2.61 -0.20 0.00 -0.74 0.00 0.00 36.82 39.64 1av4 h ILE 85 CO 0.67 0.50 -0.08 -0.94 0.00 0.00 0.00 178.15 178.30 1av4 s SER 86 N -6.27 -0.40 -0.09 1.72 1.04 -1.15 -4.99 113.70 103.56 1av4 s SER 86 Ca -0.15 0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 1av4 s SER 86 Cb 0.02 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.64 1av4 s SER 86 CO 0.74 -0.49 0.16 0.00 0.98 0.00 0.00 173.24 174.63 1av4 s ALA 87 N -1.16 -0.12 -0.04 5.32 0.00 -1.26 -1.30 121.76 123.20 1av4 s ALA 87 Ca -0.12 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.40 1av4 s ALA 87 Cb -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1av4 s ALA 87 CO 0.06 -0.61 -0.22 0.14 0.00 0.00 0.00 175.76 175.13 1av4 s VAL 88 N 2.28 1.79 -0.13 0.00 -7.23 -0.16 -4.97 120.40 111.99 1av4 s VAL 88 Ca 0.03 -0.93 -0.28 0.00 -1.81 0.00 0.00 61.98 58.99 1av4 s VAL 88 Cb -0.12 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1av4 s VAL 88 CO -0.06 0.50 0.95 -1.61 -0.31 0.00 0.00 175.10 174.57 1av4 s GLU 89 N -0.18 4.38 0.32 4.82 2.02 -1.26 -1.07 118.70 127.73 1av4 s GLU 89 Ca -0.01 1.27 -0.11 0.00 0.02 0.00 0.00 54.97 56.14 1av4 s GLU 89 Cb -0.12 -3.55 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 1av4 s GLU 89 CO 0.02 -0.32 0.68 -0.51 0.02 0.00 0.00 175.26 175.15 1av4 s LEU 90 N 2.04 4.02 -0.65 1.80 1.02 0.20 -4.97 118.68 122.14 1av4 s LEU 90 Ca 0.45 1.08 -0.00 0.00 0.02 0.00 0.00 54.13 55.68 1av4 s LEU 90 Cb -0.18 -3.90 0.16 0.00 0.02 0.00 0.00 46.19 42.30 1av4 s LEU 90 CO 0.16 -0.23 0.46 -0.62 0.02 0.00 0.00 176.35 176.14 1av4 s ASP 91 N -2.65 5.09 0.59 2.29 2.15 -1.26 -4.34 116.67 118.54 1av4 s ASP 91 Ca 0.50 -3.12 0.37 0.00 0.43 0.00 0.00 52.55 50.74 1av4 s ASP 91 Cb -0.11 -1.80 2.03 0.00 -0.30 0.00 0.00 42.92 42.75 1av4 s ASP 91 CO 0.24 -0.28 2.14 0.71 -0.17 0.00 0.00 175.17 177.81 1av4 h THR 92 N 5.06 0.00 0.00 1.71 1.35 -1.94 -0.02 112.91 119.07 1av4 h THR 92 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.84 1av4 h THR 92 Cb 0.90 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1av4 h THR 92 CO 0.73 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 175.85 1av4 h ALA 93 N 1.89 0.95 0.00 6.62 0.00 -1.87 -1.80 119.26 125.05 1av4 h ALA 93 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1av4 h ALA 93 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1av4 h ALA 93 CO 0.00 0.18 -1.10 0.00 0.00 0.00 0.00 179.25 178.32 1av4 n ALA 94 N -2.15 0.79 1.23 0.00 0.00 -0.09 -4.71 120.51 115.58 1av4 n ALA 94 Ca 0.02 -0.72 0.13 0.00 0.00 0.00 0.00 53.44 52.87 1av4 n ALA 94 Cb 0.49 -0.01 0.30 0.00 0.00 0.00 0.00 19.45 20.23 1av4 n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1av4 n THR 95 N -4.47 0.00 0.00 0.00 -2.24 -0.76 -4.88 114.28 101.93 1av4 n THR 95 Ca -0.19 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1av4 n THR 95 Cb 0.51 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1av4 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1av4 n GLY 96 N 1.30 2.65 3.89 3.38 0.00 -0.68 -4.39 105.19 111.35 1av4 n GLY 96 Ca 0.14 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1av4 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1av4 s GLU 97 N -3.19 3.09 0.77 1.61 0.41 0.33 -4.33 118.70 117.39 1av4 s GLU 97 Ca 0.00 0.35 -0.11 0.00 -0.41 0.00 0.00 54.97 54.80 1av4 s GLU 97 Cb 0.00 -2.14 0.05 0.00 -1.78 0.00 0.00 34.13 30.26 1av4 s GLU 97 CO 0.00 -0.76 1.10 -0.51 -0.49 0.00 0.00 175.26 174.59 1av4 s LEU 98 N -5.16 2.71 0.57 1.80 1.43 -1.26 -4.02 118.68 114.75 1av4 s LEU 98 Ca 0.55 1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 54.70 1av4 s LEU 98 Cb -0.11 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1av4 s LEU 98 CO 0.50 -1.76 1.35 -2.16 0.23 0.00 0.00 176.35 174.50 1av4 s PRO 99 N -5.22 3.02 0.44 1.29 0.04 -1.26 -4.76 135.00 128.56 1av4 s PRO 99 Ca 0.60 2.21 -0.25 0.00 0.04 0.00 0.00 61.00 63.60 1av4 s PRO 99 Cb -0.13 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1av4 s PRO 99 CO 0.53 -1.28 1.32 0.28 0.04 0.00 0.00 177.00 177.90 1av4 n VAL 100 N -1.21 2.73 -3.68 -0.36 0.31 -0.82 -4.93 118.33 110.38 1av4 n VAL 100 Ca 0.11 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.61 1av4 n VAL 100 Cb 0.46 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.68 1av4 n VAL 100 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1av4 s LEU 101 N -2.10 4.33 0.23 7.52 1.43 -1.26 -4.89 118.68 123.93 1av4 s LEU 101 Ca 0.62 0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 54.26 1av4 s LEU 101 Cb -0.48 -3.01 0.22 0.00 0.03 0.00 0.00 46.19 42.94 1av4 s LEU 101 CO 0.57 0.15 1.89 -0.08 0.23 0.00 0.00 176.35 179.11 1av4 h GLU 102 N 3.44 1.08 0.00 1.70 4.81 -1.97 -1.69 114.58 121.95 1av4 h GLU 102 Ca -0.48 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1av4 h GLU 102 Cb 1.18 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1av4 h GLU 102 CO 0.69 0.72 0.00 1.05 -0.73 0.00 0.00 179.01 180.74 1av4 h GLU 103 N 1.11 0.00 0.00 1.92 4.11 -2.03 -2.30 114.58 117.39 1av4 h GLU 103 Ca 0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.73 1av4 h GLU 103 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1av4 h GLU 103 CO -0.08 0.00 -0.15 0.93 0.07 0.00 0.00 179.01 179.78 1av4 h GLU 104 N 0.00 0.00 -0.23 1.06 5.08 -1.71 -3.30 114.58 115.48 1av4 h GLU 104 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1av4 h GLU 104 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1av4 h GLU 104 CO 0.00 0.09 0.13 0.74 -1.00 0.00 0.00 179.01 178.97 1av4 h PHE 105 N 0.00 0.31 -0.59 4.33 0.04 -1.42 -3.01 116.94 116.60 1av4 h PHE 105 Ca -0.00 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1av4 h PHE 105 Cb 1.07 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 1av4 h PHE 105 CO 0.00 0.25 0.36 0.93 -0.60 0.00 0.00 178.31 179.25 1av4 h GLU 106 N 0.28 0.68 -0.90 1.51 3.07 -1.70 -3.16 114.58 114.35 1av4 h GLU 106 Ca 0.08 -0.04 0.20 0.00 -0.50 0.00 0.00 59.36 59.10 1av4 h GLU 106 Cb 0.04 -0.15 -0.12 0.00 -0.84 0.00 0.00 28.75 27.68 1av4 h GLU 106 CO -0.01 0.45 0.44 0.28 -1.40 0.00 0.00 179.01 178.76 1av4 h VAL 107 N 0.70 0.56 -0.06 3.13 2.07 -1.62 -2.41 116.25 118.62 1av4 h VAL 107 Ca 0.24 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1av4 h VAL 107 Cb 0.04 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1av4 h VAL 107 CO -0.11 0.09 -0.20 -0.37 0.02 0.00 0.00 177.57 177.00 1av4 h VAL 108 N 0.50 1.18 0.07 2.57 -1.51 -1.60 0.28 116.25 117.74 1av4 h VAL 108 Ca 0.54 -0.84 -0.26 0.00 -1.23 0.00 0.00 66.70 64.91 1av4 h VAL 108 Cb 0.96 1.36 0.01 0.00 -2.13 0.00 0.00 31.29 31.49 1av4 h VAL 108 CO -0.47 0.25 -1.12 -0.08 -1.23 0.00 0.00 177.57 174.92 1av4 h GLU 109 N 0.10 0.48 -0.45 5.19 4.81 -1.61 -3.02 114.58 120.08 1av4 h GLU 109 Ca 0.02 -0.60 -0.12 0.00 -0.13 0.00 0.00 59.36 58.52 1av4 h GLU 109 Cb 0.42 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1av4 h GLU 109 CO 0.03 1.24 -0.20 0.37 -0.73 0.00 0.00 179.01 179.72 1av4 h GLN 110 N 0.23 0.93 -0.40 1.92 4.15 -1.18 -2.52 115.11 118.25 1av4 h GLN 110 Ca -0.13 -0.40 -0.15 0.00 0.77 0.00 0.00 58.65 58.74 1av4 h GLN 110 Cb 1.78 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 1av4 h GLN 110 CO 0.20 1.06 -0.33 -0.07 -1.93 0.00 0.00 178.83 177.76 1av4 h LEU 111 N 0.77 0.97 -1.14 -2.39 3.38 -1.04 -3.20 115.31 112.67 1av4 h LEU 111 Ca 0.10 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1av4 h LEU 111 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1av4 h LEU 111 CO 0.06 1.22 -0.40 -0.07 0.09 0.00 0.00 178.44 179.34 1av4 h LEU 112 N 0.74 0.00 -2.50 1.67 3.38 -1.53 -3.12 115.31 113.96 1av4 h LEU 112 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1av4 h LEU 112 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1av4 h LEU 112 CO 0.08 0.40 -0.02 0.00 0.09 0.00 0.00 178.44 179.00 1av4 h ALA 113 N 1.60 1.36 -0.07 1.53 0.00 -1.44 -2.37 119.26 119.88 1av4 h ALA 113 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1av4 h ALA 113 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1av4 h ALA 113 CO 0.05 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.57 1av4 n THR 114 N -3.63 1.56 -3.36 0.00 -2.24 -1.18 -4.91 114.28 100.51 1av4 n THR 114 Ca -0.03 -1.67 -0.38 0.00 -2.27 0.00 0.00 64.05 59.71 1av4 n THR 114 Cb 0.10 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 1av4 n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1av4 s ASP 115 N -1.93 6.66 0.21 3.42 2.15 -0.89 -5.00 116.67 121.28 1av4 s ASP 115 Ca 0.22 0.79 -0.08 0.00 0.43 0.00 0.00 52.55 53.90 1av4 s ASP 115 Cb 0.18 -2.27 0.15 0.00 -0.30 0.00 0.00 42.92 40.68 1av4 s ASP 115 CO 0.04 0.05 1.78 -0.08 -0.17 0.00 0.00 175.17 176.79 1av4 h GLU 116 N 6.50 1.16 0.00 4.34 4.57 -1.94 -1.55 114.58 127.67 1av4 h GLU 116 Ca -0.42 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 57.54 1av4 h GLU 116 Cb 1.18 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1av4 h GLU 116 CO 0.74 0.93 -0.06 0.07 -1.18 0.00 0.00 179.01 179.52 1av4 h ARG 117 N 1.13 0.00 -0.00 1.92 0.11 -1.95 0.06 114.38 115.64 1av4 h ARG 117 Ca 0.26 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.18 1av4 h ARG 117 Cb 0.20 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.29 1av4 h ARG 117 CO -0.02 0.06 -0.62 2.35 0.10 0.00 0.00 179.97 181.84 1av4 h TRP 118 N 0.00 0.63 -0.47 4.08 2.91 -1.79 -2.00 115.95 119.30 1av4 h TRP 118 Ca -0.00 -0.34 -0.06 0.00 1.13 0.00 0.00 58.89 59.62 1av4 h TRP 118 Cb 0.83 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.38 1av4 h TRP 118 CO 0.00 1.16 0.06 -0.07 -1.03 0.00 0.00 178.44 178.55 1av4 h LEU 119 N -0.08 0.70 -0.86 0.65 3.38 -1.13 -1.52 115.31 116.45 1av4 h LEU 119 Ca -0.08 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1av4 h LEU 119 Cb 1.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1av4 h LEU 119 CO 0.12 0.73 -0.55 0.50 0.09 0.00 0.00 178.44 179.33 1av4 h LYS 120 N 0.71 0.04 -0.09 1.13 3.64 -0.97 0.19 116.57 121.22 1av4 h LYS 120 Ca 0.15 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 1av4 h LYS 120 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1av4 h LYS 120 CO 0.01 0.59 -0.69 0.00 -2.27 0.00 0.00 179.45 177.08 1av4 h ALA 121 N 1.41 0.65 0.06 5.00 0.00 -0.76 -2.38 119.26 123.25 1av4 h ALA 121 Ca -0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 1av4 h ALA 121 Cb 0.99 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1av4 h ALA 121 CO 0.07 0.75 -0.92 -0.07 0.00 0.00 0.00 179.25 179.09 1av4 h LEU 122 N 0.27 0.70 -1.37 0.00 3.38 -1.10 -3.26 115.31 113.92 1av4 h LEU 122 Ca -0.02 -0.81 0.02 0.00 0.09 0.00 0.00 57.88 57.16 1av4 h LEU 122 Cb 1.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1av4 h LEU 122 CO 0.12 1.43 0.44 0.00 0.09 0.00 0.00 178.44 180.51 1av4 h ALA 123 N 0.28 1.58 0.00 1.53 0.00 -0.97 0.36 119.26 122.04 1av4 h ALA 123 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1av4 h ALA 123 Cb 1.63 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1av4 h ALA 123 CO 0.18 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1av4 n ALA 124 N -2.44 1.61 0.08 0.00 0.00 -0.90 -1.60 120.51 117.26 1av4 n ALA 124 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1av4 n ALA 124 Cb 0.09 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.35 1av4 n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1av4 n ARG 125 N -1.50 0.86 -3.70 0.00 1.74 -0.00 -5.00 116.66 109.06 1av4 n ARG 125 Ca 0.03 -1.10 -0.26 0.00 -0.77 0.00 0.00 57.85 55.75 1av4 n ARG 125 Cb 0.16 -1.08 0.06 0.00 -1.02 0.00 0.00 32.46 30.58 1av4 n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1av4 n ASN 126 N 0.08 -5.77 -4.59 0.55 3.02 -0.50 -4.99 115.26 103.07 1av4 n ASN 126 Ca 0.03 -0.62 -0.34 0.00 -0.03 0.00 0.00 54.58 53.62 1av4 n ASN 126 Cb 0.18 -4.67 -0.11 0.00 -0.61 0.00 0.00 39.78 34.57 1av4 n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1av4 s LEU 127 N -7.28 3.46 -0.29 3.41 1.43 -0.76 -5.02 118.68 113.62 1av4 s LEU 127 Ca 0.60 0.01 -0.28 0.00 -1.03 0.00 0.00 54.13 53.43 1av4 s LEU 127 Cb -0.28 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1av4 s LEU 127 CO 0.76 0.25 1.00 -0.62 0.23 0.00 0.00 176.35 177.98 1av4 s ASP 128 N -0.12 6.92 0.49 2.29 2.15 -1.26 -4.43 116.67 122.70 1av4 s ASP 128 Ca 0.04 1.05 0.29 0.00 0.43 0.00 0.00 52.55 54.37 1av4 s ASP 128 Cb -0.13 -2.51 1.38 0.00 -0.30 0.00 0.00 42.92 41.36 1av4 s ASP 128 CO 0.02 -0.77 1.80 0.58 -0.17 0.00 0.00 175.17 176.63 1av4 h VAL 129 N 5.63 0.46 0.00 1.11 2.07 -1.96 0.29 116.25 123.86 1av4 h VAL 129 Ca -0.21 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1av4 h VAL 129 Cb 1.07 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1av4 h VAL 129 CO 0.99 0.03 0.00 0.77 0.02 0.00 0.00 177.57 179.37 1av4 h SER 130 N 0.14 0.00 -0.08 0.57 4.64 -1.99 -2.51 113.55 114.32 1av4 h SER 130 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1av4 h SER 130 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1av4 h SER 130 CO -0.12 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.13 1av4 n LYS 131 N -2.66 1.97 -3.37 4.77 5.02 0.10 -4.92 118.16 119.08 1av4 n LYS 131 Ca 0.00 -1.81 -0.41 0.00 -2.02 0.00 0.00 58.31 54.07 1av4 n LYS 131 Cb 0.21 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.72 1av4 n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1av4 s VAL 132 N -1.67 5.14 -0.05 -0.18 1.01 -0.95 -0.75 120.40 122.95 1av4 s VAL 132 Ca 0.26 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1av4 s VAL 132 Cb 0.18 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1av4 s VAL 132 CO 0.26 -0.17 0.38 -0.13 0.00 0.00 0.00 175.10 175.45 1av4 s ARG 133 N 2.08 4.00 -0.23 2.72 1.81 0.27 -4.93 118.95 124.67 1av4 s ARG 133 Ca 0.13 0.33 -0.02 0.00 -1.72 0.00 0.00 55.73 54.45 1av4 s ARG 133 Cb -0.16 -3.28 0.01 0.00 -0.45 0.00 0.00 34.95 31.06 1av4 s ARG 133 CO 0.12 0.55 -0.06 0.08 -0.68 0.00 0.00 175.30 175.31 1av4 s VAL 134 N -0.58 3.02 -0.34 3.52 1.01 -1.26 -0.38 120.40 125.39 1av4 s VAL 134 Ca 0.22 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1av4 s VAL 134 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1av4 s VAL 134 CO 0.11 0.32 1.26 0.00 0.00 0.00 0.00 175.10 176.78 1av4 s ALA 135 N 1.39 3.32 -0.71 5.51 0.00 0.48 -4.77 121.76 126.98 1av4 s ALA 135 Ca 0.03 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.69 1av4 s ALA 135 Cb -0.15 -3.79 0.03 0.00 0.00 0.00 0.00 23.12 19.20 1av4 s ALA 135 CO -0.05 -1.86 1.30 -1.25 0.00 0.00 0.00 175.76 173.91 1av4 s PRO 136 N 4.21 3.21 0.15 0.00 0.04 -1.26 -2.62 135.00 138.73 1av4 s PRO 136 Ca 0.54 -0.11 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1av4 s PRO 136 Cb -0.14 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 1av4 s PRO 136 CO 0.24 -2.11 0.11 -0.51 0.04 0.00 0.00 177.00 174.77 1av4 s LEU 137 N 5.82 3.75 0.35 -3.56 1.43 0.03 -4.96 118.68 121.54 1av4 s LEU 137 Ca 0.38 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1av4 s LEU 137 Cb -0.08 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 1av4 s LEU 137 CO 0.17 0.09 1.30 -0.94 0.23 0.00 0.00 176.35 177.20 1av4 s SER 138 N -2.97 6.67 -0.34 2.29 1.04 -1.26 -1.22 113.70 117.90 1av4 s SER 138 Ca 0.30 2.68 -0.17 0.00 0.48 0.00 0.00 55.95 59.24 1av4 s SER 138 Cb -0.10 -2.65 -0.01 0.00 0.10 0.00 0.00 66.02 63.36 1av4 s SER 138 CO 0.23 -0.60 0.44 0.00 0.98 0.00 0.00 173.24 174.28 1av4 s ALA 139 N -1.17 3.49 1.00 5.32 0.00 -1.26 -4.68 121.76 124.46 1av4 s ALA 139 Ca 0.51 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1av4 s ALA 139 Cb -0.39 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1av4 s ALA 139 CO 0.52 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1av4 n GLY 140 N 4.86 -1.02 3.04 0.00 0.00 -1.26 -3.83 105.19 106.98 1av4 n GLY 140 Ca -0.07 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1av4 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1av4 s VAL 141 N 0.00 2.15 0.00 1.61 1.01 -1.26 -4.68 120.40 119.23 1av4 s VAL 141 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1av4 s VAL 141 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1av4 s VAL 141 CO 0.00 -0.23 0.00 0.49 0.00 0.00 0.00 175.10 175.36 1av4 n PHE 142 N 4.39 0.00 0.88 5.22 3.72 -1.26 -4.92 117.46 125.49 1av4 n PHE 142 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1av4 n PHE 142 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1av4 n PHE 142 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1av4 n GLU 143 N 0.00 0.88 -3.72 -1.08 0.00 -1.26 -4.75 120.64 110.72 1av4 n GLU 143 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.79 1av4 n GLU 143 Cb 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 31.44 30.11 1av4 n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1av4 s TYR 144 N -0.36 3.50 0.59 -1.84 2.02 -1.26 -4.95 117.35 115.03 1av4 s TYR 144 Ca 0.00 -2.49 0.28 0.00 -0.37 0.00 0.00 57.07 54.50 1av4 s TYR 144 Cb 0.00 -3.26 1.68 0.00 -0.40 0.00 0.00 41.96 39.98 1av4 s TYR 144 CO 0.00 -0.92 2.14 0.00 -1.57 0.00 0.00 175.55 175.20 1av4 h ALA 145 N 7.62 1.76 -0.00 3.71 0.00 -2.00 -2.00 119.26 128.35 1av4 h ALA 145 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1av4 h ALA 145 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1av4 h ALA 145 CO 0.72 -0.23 -0.01 -0.85 0.00 0.00 0.00 179.25 178.89 1av4 n GLU 146 N -3.85 0.64 0.05 0.00 -0.00 -1.26 -3.54 120.64 112.69 1av4 n GLU 146 Ca 0.01 -0.03 0.05 0.00 -0.00 0.00 0.00 57.16 57.18 1av4 n GLU 146 Cb 0.27 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.15 1av4 n GLU 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1av4 n GLU 147 N -1.15 0.62 -1.69 3.44 1.02 -0.75 -4.76 120.64 117.37 1av4 n GLU 147 Ca 0.17 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 1av4 n GLU 147 Cb 0.21 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.80 1av4 n GLU 147 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1av4 s ARG 148 N -3.12 4.14 0.00 3.49 0.52 -1.23 -1.27 118.95 121.47 1av4 s ARG 148 Ca -0.02 2.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 1av4 s ARG 148 Cb 0.09 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.68 1av4 s ARG 148 CO 0.81 -0.90 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1av4 n GLY 149 N 4.40 1.39 3.57 -3.53 0.00 -1.26 -4.99 105.19 104.77 1av4 n GLY 149 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1av4 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1av4 s ARG 150 N -0.43 2.14 -0.68 1.61 0.52 -0.40 -4.80 118.95 116.91 1av4 s ARG 150 Ca 0.00 -1.01 -0.22 0.00 -0.52 0.00 0.00 55.73 53.98 1av4 s ARG 150 Cb 0.00 -2.31 0.08 0.00 0.52 0.00 0.00 34.95 33.25 1av4 s ARG 150 CO 0.00 0.51 0.94 0.50 0.02 0.00 0.00 175.30 177.27 1av4 s ARG 151 N -2.14 3.15 0.03 3.54 3.52 -1.26 -4.96 118.95 120.82 1av4 s ARG 151 Ca 0.21 -1.02 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 1av4 s ARG 151 Cb -0.11 -4.31 -0.04 0.00 -1.56 0.00 0.00 34.95 28.93 1av4 s ARG 151 CO 0.13 -1.77 -0.06 0.42 -0.81 0.00 0.00 175.30 173.21 1av4 s ILE 152 N 3.68 3.69 0.03 4.11 1.09 -1.26 -1.54 121.20 131.00 1av4 s ILE 152 Ca 0.21 -0.85 0.04 0.00 -1.10 0.00 0.00 60.65 58.95 1av4 s ILE 152 Cb -0.17 -2.64 -0.02 0.00 -1.06 0.00 0.00 42.46 38.57 1av4 s ILE 152 CO 0.07 0.32 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.36 1av4 s LEU 153 N -1.63 2.15 -0.03 2.97 1.43 0.08 -4.19 118.68 119.46 1av4 s LEU 153 Ca 0.19 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1av4 s LEU 153 Cb -0.11 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 1av4 s LEU 153 CO 0.10 0.00 0.06 -0.13 0.23 0.00 0.00 176.35 176.61 1av4 s ARG 154 N -1.02 3.05 -0.06 1.70 0.52 -0.36 -0.76 118.95 122.02 1av4 s ARG 154 Ca -0.00 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 54.81 1av4 s ARG 154 Cb -0.07 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 1av4 s ARG 154 CO 0.01 0.66 -0.24 0.20 0.02 0.00 0.00 175.30 175.95 1av4 s GLY 155 N -1.52 1.27 -0.08 -3.53 0.00 0.72 -0.79 107.32 103.38 1av4 s GLY 155 Ca 0.20 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1av4 s GLY 155 CO 0.11 -0.58 -0.22 1.08 0.00 0.00 0.00 173.10 173.48 1av4 s LEU 156 N -0.09 2.02 0.16 0.66 1.43 -1.08 -2.26 118.68 119.53 1av4 s LEU 156 Ca -0.05 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 1av4 s LEU 156 Cb -0.14 -1.31 -0.07 0.00 0.03 0.00 0.00 46.19 44.70 1av4 s LEU 156 CO 0.04 0.17 0.54 0.00 0.23 0.00 0.00 176.35 177.33 1av4 s ALA 157 N 0.23 3.59 -0.02 4.21 0.00 -1.26 -0.39 121.76 128.12 1av4 s ALA 157 Ca -0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 1av4 s ALA 157 Cb -0.16 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1av4 s ALA 157 CO 0.07 0.48 0.04 -0.06 0.00 0.00 0.00 175.76 176.28 1av4 s PHE 158 N -1.54 0.01 0.13 0.00 0.40 0.49 -1.07 117.98 116.40 1av4 s PHE 158 Ca 0.39 0.15 -0.26 0.00 -0.60 0.00 0.00 56.93 56.62 1av4 s PHE 158 Cb -0.14 -0.20 -0.07 0.00 0.51 0.00 0.00 43.02 43.12 1av4 s PHE 158 CO 0.19 -0.09 0.79 0.08 0.70 0.00 0.00 175.22 176.90 1av4 s VAL 159 N 0.96 4.48 -0.33 -0.44 1.01 0.45 -0.57 120.40 125.95 1av4 s VAL 159 Ca -0.08 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.65 1av4 s VAL 159 Cb -0.11 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.22 1av4 s VAL 159 CO -0.03 0.46 0.04 -1.58 0.00 0.00 0.00 175.10 173.99 1av4 s GLN 160 N -0.75 1.48 0.44 2.72 0.74 0.07 -4.33 119.66 120.03 1av4 s GLN 160 Ca 0.37 -1.76 0.15 0.00 0.05 0.00 0.00 55.36 54.18 1av4 s GLN 160 Cb -0.22 -3.07 1.06 0.00 1.10 0.00 0.00 33.01 31.87 1av4 s GLN 160 CO 0.26 -0.91 1.96 -0.44 -0.55 0.00 0.00 175.29 175.61 1av4 h ASP 161 N 7.67 0.35 -5.07 6.67 5.19 -1.90 -3.45 116.42 125.88 1av4 h ASP 161 Ca -0.06 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1av4 h ASP 161 Cb 1.02 -0.06 -0.13 0.00 0.18 0.00 0.00 39.33 40.34 1av4 h ASP 161 CO 0.51 0.20 -0.03 0.72 -3.12 0.00 0.00 179.24 177.52 1av4 s PHE 162 N -5.37 -0.24 0.32 4.55 -0.71 -1.26 -5.03 117.98 110.24 1av4 s PHE 162 Ca -0.08 -0.07 0.06 0.00 -1.04 0.00 0.00 56.93 55.81 1av4 s PHE 162 Cb 0.20 0.30 0.89 0.00 -1.21 0.00 0.00 43.02 43.20 1av4 s PHE 162 CO 0.75 -0.73 1.55 -2.30 -1.34 0.00 0.00 175.22 173.16 1av4 n PRO 163 N -0.25 -0.07 -0.41 1.99 -0.02 -1.26 -0.45 135.00 134.52 1av4 n PRO 163 Ca -0.16 1.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.84 1av4 n PRO 163 Cb 0.64 -2.38 0.24 0.00 -0.02 0.00 0.00 33.50 31.98 1av4 n PRO 163 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1av4 n GLU 164 N -5.43 2.82 -2.90 -0.52 1.02 -1.26 -4.96 120.64 109.41 1av4 n GLU 164 Ca 0.27 -1.94 -0.38 0.00 -0.02 0.00 0.00 57.16 55.09 1av4 n GLU 164 Cb 0.88 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.57 1av4 n GLU 164 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1av4 s ASP 165 N -0.78 7.39 -0.74 1.62 2.15 0.40 -5.00 116.67 121.71 1av4 s ASP 165 Ca 0.35 1.73 -0.27 0.00 0.43 0.00 0.00 52.55 54.79 1av4 s ASP 165 Cb 0.22 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1av4 s ASP 165 CO 0.17 0.11 1.28 -0.55 -0.17 0.00 0.00 175.17 176.01 1av4 s SER 166 N -1.34 6.17 0.57 -0.34 0.15 -1.26 -4.87 113.70 112.77 1av4 s SER 166 Ca 0.41 -0.48 0.29 0.00 0.70 0.00 0.00 55.95 56.87 1av4 s SER 166 Cb -0.22 -2.56 1.70 0.00 -1.71 0.00 0.00 66.02 63.24 1av4 s SER 166 CO 0.26 -1.83 2.20 0.00 1.20 0.00 0.00 173.24 175.07 1av4 h ALA 167 N 10.02 1.46 0.00 5.45 0.00 -1.94 -2.74 119.26 131.50 1av4 h ALA 167 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1av4 h ALA 167 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1av4 h ALA 167 CO 1.28 0.05 0.00 -1.49 0.00 0.00 0.00 179.25 179.09 1av4 h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.89 0.02 115.95 118.14 1av4 h TRP 168 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1av4 h TRP 168 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1av4 h TRP 168 CO 0.00 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 174.86 1av4 h ALA 169 N 2.00 0.98 -2.18 1.49 0.00 -1.82 -3.39 119.26 116.34 1av4 h ALA 169 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1av4 h ALA 169 Cb 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.40 1av4 h ALA 169 CO 0.00 0.00 -0.68 0.72 0.00 0.00 0.00 179.25 179.29 1av4 n HIS 170 N -2.46 3.20 -2.48 0.00 8.25 -0.01 -4.60 115.22 117.12 1av4 n HIS 170 Ca 0.05 -4.05 -0.39 0.00 -0.26 0.00 0.00 57.72 53.08 1av4 n HIS 170 Cb 0.45 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 1av4 n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1av4 s PRO 171 N -2.57 4.42 -0.74 -0.41 0.04 -1.26 -0.41 135.00 134.07 1av4 s PRO 171 Ca 0.41 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 1av4 s PRO 171 Cb 0.19 -2.91 0.19 0.00 0.04 0.00 0.00 34.50 32.01 1av4 s PRO 171 CO -0.05 0.04 0.65 0.08 0.04 0.00 0.00 177.00 177.76 1av4 s VAL 172 N -1.36 5.12 0.64 -0.36 1.01 -0.23 -4.52 120.40 120.69 1av4 s VAL 172 Ca 0.50 -2.45 -0.13 0.00 0.00 0.00 0.00 61.98 59.91 1av4 s VAL 172 Cb -0.28 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1av4 s VAL 172 CO 0.36 -0.97 1.05 -0.62 0.00 0.00 0.00 175.10 174.92 1av4 s ASP 173 N 2.02 5.75 0.00 3.32 -1.08 -1.26 -3.97 116.67 121.45 1av4 s ASP 173 Ca 0.16 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 53.82 1av4 s ASP 173 Cb -0.15 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1av4 s ASP 173 CO -0.06 -1.19 0.00 0.61 0.52 0.00 0.00 175.17 175.05 1av4 n GLY 174 N -1.78 0.89 3.01 2.66 0.00 -1.26 -4.22 105.19 104.49 1av4 n GLY 174 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1av4 n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1av4 s LEU 175 N 0.00 1.64 -0.09 0.99 2.96 -1.25 -1.15 118.68 121.78 1av4 s LEU 175 Ca 0.00 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.57 1av4 s LEU 175 Cb 0.00 -0.72 0.02 0.00 0.50 0.00 0.00 46.19 45.99 1av4 s LEU 175 CO 0.00 0.04 0.25 -0.69 -1.32 0.00 0.00 176.35 174.63 1av4 s VAL 176 N 0.56 0.01 -0.03 1.68 1.01 -0.73 -4.56 120.40 118.33 1av4 s VAL 176 Ca -0.11 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1av4 s VAL 176 Cb -0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1av4 s VAL 176 CO 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 175.10 174.98 1av4 s ALA 177 N 0.02 1.13 -0.15 5.51 0.00 -0.96 -0.52 121.76 126.79 1av4 s ALA 177 Ca -0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1av4 s ALA 177 Cb -0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1av4 s ALA 177 CO 0.01 0.20 0.13 0.71 0.00 0.00 0.00 175.76 176.81 1av4 s TYR 178 N 0.10 3.51 -0.04 0.00 2.02 -0.26 -0.20 117.35 122.48 1av4 s TYR 178 Ca -0.03 0.43 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 1av4 s TYR 178 Cb -0.09 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1av4 s TYR 178 CO 0.01 0.54 -0.04 0.08 -1.57 0.00 0.00 175.55 174.57 1av4 s VAL 179 N -0.42 0.52 -0.51 0.71 1.01 0.06 -2.22 120.40 119.55 1av4 s VAL 179 Ca 0.12 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 1av4 s VAL 179 Cb -0.12 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.75 1av4 s VAL 179 CO 0.01 0.22 0.85 -0.62 0.00 0.00 0.00 175.10 175.57 1av4 s ASP 180 N 0.97 6.35 0.10 3.32 -1.08 0.23 -0.74 116.67 125.82 1av4 s ASP 180 Ca -0.10 -0.35 0.23 0.00 -0.52 0.00 0.00 52.55 51.81 1av4 s ASP 180 Cb -0.14 -2.40 0.92 0.00 -1.46 0.00 0.00 42.92 39.84 1av4 s ASP 180 CO -0.00 -1.08 1.72 0.52 0.52 0.00 0.00 175.17 176.85 1av4 n VAL 181 N 6.10 0.58 -0.12 1.11 0.31 -0.59 -1.56 118.33 124.17 1av4 n VAL 181 Ca 0.01 0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.13 1av4 n VAL 181 Cb 0.47 -0.80 -0.11 0.00 -0.91 0.00 0.00 33.84 32.50 1av4 n VAL 181 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1av4 n VAL 182 N -1.84 1.54 0.69 2.52 0.24 -1.26 -4.24 118.33 115.98 1av4 n VAL 182 Ca 0.05 -0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.22 1av4 n VAL 182 Cb 0.29 -1.92 0.47 0.00 -1.47 0.00 0.00 33.84 31.21 1av4 n VAL 182 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1av4 n SER 183 N -4.25 0.42 -3.29 -1.34 3.41 -1.25 -4.92 113.62 102.39 1av4 n SER 183 Ca -0.44 0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 58.57 1av4 n SER 183 Cb 0.81 -0.66 0.08 0.00 -0.26 0.00 0.00 64.21 64.18 1av4 n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1av4 n LYS 184 N -1.91 -4.09 -4.18 4.33 5.02 -0.60 -5.05 118.16 111.68 1av4 n LYS 184 Ca 0.05 0.85 -0.16 0.00 -2.02 0.00 0.00 58.31 57.03 1av4 n LYS 184 Cb 0.33 -5.78 -0.11 0.00 -0.02 0.00 0.00 35.03 29.45 1av4 n LYS 184 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1av4 s GLU 185 N -4.79 0.86 -0.49 1.97 2.02 -0.87 -5.00 118.70 112.39 1av4 s GLU 185 Ca 0.25 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 53.99 1av4 s GLU 185 Cb -0.03 -0.63 0.10 0.00 0.10 0.00 0.00 34.13 33.66 1av4 s GLU 185 CO 0.72 0.11 0.40 0.08 0.02 0.00 0.00 175.26 176.60 1av4 s VAL 186 N -2.13 4.97 0.27 2.63 1.01 -1.26 -0.60 120.40 125.29 1av4 s VAL 186 Ca 0.04 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1av4 s VAL 186 Cb -0.05 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1av4 s VAL 186 CO 0.01 -0.68 1.69 0.71 0.00 0.00 0.00 175.10 176.83 1av4 h THR 187 N 5.88 1.29 -2.83 3.92 1.35 -1.81 -3.47 112.91 117.24 1av4 h THR 187 Ca -0.27 -1.42 -0.08 0.00 -0.55 0.00 0.00 66.41 64.08 1av4 h THR 187 Cb 1.10 1.52 -0.18 0.00 -1.73 0.00 0.00 68.15 68.87 1av4 h THR 187 CO 0.91 0.44 -0.07 -0.13 -0.25 0.00 0.00 175.52 176.42 1av4 s ARG 188 N -4.31 0.91 -0.11 4.72 0.52 -1.19 -4.99 118.95 114.50 1av4 s ARG 188 Ca -0.06 -0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1av4 s ARG 188 Cb 0.13 0.41 0.04 0.00 0.52 0.00 0.00 34.95 36.06 1av4 s ARG 188 CO 0.79 -0.30 0.07 0.08 0.02 0.00 0.00 175.30 175.95 1av4 s VAL 189 N -2.05 -0.03 -0.16 3.52 1.01 -1.26 -1.10 120.40 120.33 1av4 s VAL 189 Ca -0.08 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1av4 s VAL 189 Cb -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1av4 s VAL 189 CO 0.01 -0.03 -0.05 -0.63 0.00 0.00 0.00 175.10 174.40 1av4 s ILE 190 N 2.12 3.74 -0.26 2.22 1.01 0.32 -5.01 121.20 125.35 1av4 s ILE 190 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1av4 s ILE 190 Cb -0.14 -2.64 0.08 0.00 0.01 0.00 0.00 42.46 39.77 1av4 s ILE 190 CO -0.06 0.49 0.02 -0.62 0.00 0.00 0.00 174.94 174.76 1av4 s ASP 191 N 0.47 3.90 0.00 3.58 -1.08 -1.26 -1.77 116.67 120.52 1av4 s ASP 191 Ca -0.04 -1.40 0.25 0.00 -0.52 0.00 0.00 52.55 50.85 1av4 s ASP 191 Cb -0.14 -1.08 0.59 0.00 -1.46 0.00 0.00 42.92 40.82 1av4 s ASP 191 CO 0.03 -0.32 1.46 0.35 0.52 0.00 0.00 175.17 177.22 1av4 n THR 192 N 4.71 0.00 0.00 1.71 -2.24 -0.30 -5.02 114.28 113.14 1av4 n THR 192 Ca -0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1av4 n THR 192 Cb 0.44 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1av4 n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1av4 n GLY 193 N 1.43 4.17 3.80 3.38 0.00 -1.25 -5.06 105.19 111.65 1av4 n GLY 193 Ca 0.08 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 1av4 n GLY 193 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1av4 s VAL 194 N -2.00 4.53 0.01 1.61 -7.23 -1.26 -4.33 120.40 111.73 1av4 s VAL 194 Ca 0.00 1.39 0.05 0.00 -1.81 0.00 0.00 61.98 61.61 1av4 s VAL 194 Cb 0.00 -3.94 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 1av4 s VAL 194 CO 0.00 0.33 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.62 1av4 s PHE 195 N -1.38 1.25 0.52 2.82 0.40 -1.26 -5.04 117.98 115.29 1av4 s PHE 195 Ca 0.39 -0.28 -0.22 0.00 -0.60 0.00 0.00 56.93 56.23 1av4 s PHE 195 Cb -0.19 -0.78 -0.06 0.00 0.51 0.00 0.00 43.02 42.50 1av4 s PHE 195 CO 0.22 0.00 1.20 -2.30 0.70 0.00 0.00 175.22 175.05 1av4 n PRO 196 N 2.41 1.50 -3.37 0.24 -0.02 -1.26 -4.76 135.00 129.74 1av4 n PRO 196 Ca -0.16 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1av4 n PRO 196 Cb 0.55 -2.38 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1av4 n PRO 196 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1av4 s VAL 197 N -1.32 5.14 -0.25 -1.45 1.01 -1.26 -4.84 120.40 117.42 1av4 s VAL 197 Ca 0.70 -0.24 -0.42 0.00 0.00 0.00 0.00 61.98 62.02 1av4 s VAL 197 Cb -0.45 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 31.81 1av4 s VAL 197 CO 0.51 -0.28 1.51 -2.65 0.00 0.00 0.00 175.10 174.18 1av4 n PRO 198 N 5.46 0.52 0.07 2.72 -0.02 -1.26 -4.88 135.00 137.61 1av4 n PRO 198 Ca -0.08 0.19 -0.16 0.00 -2.02 0.00 0.00 63.50 61.42 1av4 n PRO 198 Cb 0.48 -1.77 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 1av4 n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1av4 h ALA 199 N 5.23 0.25 -2.43 3.55 0.00 -1.87 -3.40 119.26 120.58 1av4 h ALA 199 Ca -0.47 -1.07 -0.57 0.00 0.00 0.00 0.00 54.91 52.80 1av4 h ALA 199 Cb 1.36 0.23 0.09 0.00 0.00 0.00 0.00 17.79 19.47 1av4 h ALA 199 CO 0.88 1.12 0.58 -1.91 0.00 0.00 0.00 179.25 179.92 1av4 n GLU 200 N -3.46 2.11 -3.06 0.00 2.13 -1.26 -4.98 120.64 112.12 1av4 n GLU 200 Ca -0.15 0.75 -0.31 0.00 0.66 0.00 0.00 57.16 58.11 1av4 n GLU 200 Cb 1.04 -2.38 -0.04 0.00 0.27 0.00 0.00 31.44 30.33 1av4 n GLU 200 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1av4 s HIS 201 N -0.49 3.43 -0.41 4.31 3.76 -1.26 -4.75 115.29 119.89 1av4 s HIS 201 Ca 0.63 1.06 0.07 0.00 -0.15 0.00 0.00 55.06 56.67 1av4 s HIS 201 Cb -0.61 -2.43 0.43 0.00 1.11 0.00 0.00 32.58 31.08 1av4 s HIS 201 CO 0.55 0.03 1.09 0.41 -0.85 0.00 0.00 174.74 175.97 1av4 n GLY 202 N -0.81 5.32 3.43 -2.22 0.00 -1.26 -5.02 105.19 104.64 1av4 n GLY 202 Ca 0.02 -2.52 -0.44 0.00 0.00 0.00 0.00 46.02 43.08 1av4 n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1av4 s ASN 203 N -3.49 6.22 0.00 1.61 0.01 -1.26 -4.77 114.94 113.26 1av4 s ASN 203 Ca 0.45 -1.01 0.25 0.00 -0.71 0.00 0.00 52.86 51.85 1av4 s ASN 203 Cb 0.41 -2.30 1.49 0.00 0.41 0.00 0.00 41.25 41.25 1av4 s ASN 203 CO -0.14 -0.98 1.87 0.00 -1.51 0.00 0.00 177.10 176.34 1av4 n TYR 204 N 6.33 0.00 0.44 2.20 0.18 -1.26 -2.92 117.16 122.13 1av4 n TYR 204 Ca -0.07 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.77 1av4 n TYR 204 Cb 0.45 -0.03 -0.08 0.00 -0.38 0.00 0.00 39.34 39.30 1av4 n TYR 204 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1av4 n THR 205 N -1.03 0.00 -2.42 -3.48 -2.24 -1.26 -4.81 114.28 99.04 1av4 n THR 205 Ca 0.18 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1av4 n THR 205 Cb 0.10 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1av4 n THR 205 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1av4 s ASP 206 N -2.51 6.85 0.04 3.42 2.15 -1.15 -4.90 116.67 120.58 1av4 s ASP 206 Ca 0.02 1.55 0.02 0.00 0.43 0.00 0.00 52.55 54.58 1av4 s ASP 206 Cb 0.09 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.31 1av4 s ASP 206 CO 0.52 -0.86 0.99 -0.81 -0.17 0.00 0.00 175.17 174.83 1av4 n PRO 207 N 6.84 0.02 0.03 4.34 -0.04 -1.26 -0.99 135.00 143.93 1av4 n PRO 207 Ca 0.14 0.44 -0.06 0.00 -0.04 0.00 0.00 63.50 63.97 1av4 n PRO 207 Cb 0.45 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 1av4 n PRO 207 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1av4 h GLU 208 N 0.00 0.00 0.16 0.54 4.81 -1.90 -1.70 114.58 116.49 1av4 h GLU 208 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 1av4 h GLU 208 Cb 0.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1av4 h GLU 208 CO 0.00 0.73 -1.87 1.25 -0.73 0.00 0.00 179.01 178.39 1av4 h LEU 209 N 0.00 0.52 -0.19 1.64 5.85 -1.35 -3.36 115.31 118.41 1av4 h LEU 209 Ca -0.12 -0.94 -0.15 0.00 0.84 0.00 0.00 57.88 57.51 1av4 h LEU 209 Cb 1.82 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 1av4 h LEU 209 CO 0.10 1.82 -0.70 0.71 -0.34 0.00 0.00 178.44 180.03 1av4 h THR 210 N 0.09 1.26 -0.74 1.05 1.35 -1.51 -3.50 112.91 110.91 1av4 h THR 210 Ca -0.38 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1av4 h THR 210 Cb 2.07 2.51 -0.00 0.00 -1.73 0.00 0.00 68.15 71.00 1av4 h THR 210 CO 0.14 0.68 -0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1av4 n GLY 211 N 1.05 -1.67 3.69 5.82 0.00 -0.64 -4.68 105.19 108.77 1av4 n GLY 211 Ca 0.01 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1av4 n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1av4 s PRO 212 N -0.00 4.25 0.23 1.61 0.04 -1.26 -4.83 135.00 135.03 1av4 s PRO 212 Ca 0.00 2.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1av4 s PRO 212 Cb 0.00 -3.52 -0.10 0.00 0.04 0.00 0.00 34.50 30.92 1av4 s PRO 212 CO 0.00 -0.63 1.51 -0.51 0.04 0.00 0.00 177.00 177.41 1av4 s LEU 213 N 2.27 4.37 0.52 -3.56 1.43 -1.26 -4.95 118.68 117.51 1av4 s LEU 213 Ca 0.68 2.71 -0.22 0.00 -1.03 0.00 0.00 54.13 56.28 1av4 s LEU 213 Cb -0.36 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.18 1av4 s LEU 213 CO 0.30 -0.78 1.19 -2.11 0.23 0.00 0.00 176.35 175.18 1av4 n ARG 214 N 2.77 1.48 0.00 1.70 1.85 -1.26 -4.94 116.66 118.26 1av4 n ARG 214 Ca 0.09 0.54 0.05 0.00 -1.00 0.00 0.00 57.85 57.53 1av4 n ARG 214 Cb 0.39 -2.36 0.03 0.00 -1.05 0.00 0.00 32.46 29.47 1av4 n ARG 214 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1av4 n THR 215 N -1.00 0.00 0.27 8.89 -2.24 -1.26 -4.73 114.28 114.21 1av4 n THR 215 Ca 0.10 -0.48 0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1av4 n THR 215 Cb 0.44 1.17 0.67 0.00 -2.10 0.00 0.00 70.33 70.50 1av4 n THR 215 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1av4 h THR 216 N 1.60 0.22 -2.91 4.28 1.35 -2.03 -3.44 112.91 111.97 1av4 h THR 216 Ca 0.00 -0.64 -0.57 0.00 -0.55 0.00 0.00 66.41 64.65 1av4 h THR 216 Cb 0.37 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 1av4 h THR 216 CO 0.00 0.07 0.93 -1.10 -0.25 0.00 0.00 175.52 175.17 1av4 s GLN 217 N -3.76 4.18 0.12 4.72 -0.21 -1.26 -5.02 119.66 118.44 1av4 s GLN 217 Ca 0.00 1.65 -0.10 0.00 0.02 0.00 0.00 55.36 56.93 1av4 s GLN 217 Cb 0.10 -3.80 -0.06 0.00 1.00 0.00 0.00 33.01 30.25 1av4 s GLN 217 CO 0.56 -0.78 0.45 0.15 -2.12 0.00 0.00 175.29 173.56 1av4 s LYS 218 N 3.64 3.79 0.61 2.91 -0.14 -1.26 -5.05 119.74 124.24 1av4 s LYS 218 Ca 0.57 0.21 -0.19 0.00 -1.36 0.00 0.00 55.97 55.20 1av4 s LYS 218 Cb -0.22 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 1av4 s LYS 218 CO 0.17 0.49 1.28 -1.25 -0.76 0.00 0.00 175.35 175.28 1av4 s PRO 219 N -2.17 2.78 -0.22 -1.68 0.04 -1.26 -5.02 135.00 127.48 1av4 s PRO 219 Ca 0.37 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1av4 s PRO 219 Cb -0.13 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1av4 s PRO 219 CO 0.20 -1.40 -0.15 0.42 0.04 0.00 0.00 177.00 176.10 1av4 s ILE 220 N -1.44 2.11 -0.30 0.56 1.01 -1.26 -5.10 121.20 116.78 1av4 s ILE 220 Ca 0.79 -1.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1av4 s ILE 220 Cb -0.36 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1av4 s ILE 220 CO 0.39 0.25 0.17 -0.55 0.00 0.00 0.00 174.94 175.20 1av4 s SER 221 N 1.20 5.70 -0.33 3.58 0.15 -1.26 -5.06 113.70 117.68 1av4 s SER 221 Ca -0.02 -0.36 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1av4 s SER 221 Cb -0.17 -2.05 0.06 0.00 -1.71 0.00 0.00 66.02 62.16 1av4 s SER 221 CO -0.09 -0.16 0.06 -0.63 1.20 0.00 0.00 173.24 173.63 1av4 s ILE 222 N 1.67 3.26 0.28 6.45 1.01 -1.26 -5.09 121.20 127.52 1av4 s ILE 222 Ca 0.06 -1.42 0.04 0.00 0.00 0.00 0.00 60.65 59.32 1av4 s ILE 222 Cb -0.17 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 1av4 s ILE 222 CO 0.08 -0.22 0.02 0.42 0.00 0.00 0.00 174.94 175.24 1av4 s THR 223 N 1.28 1.18 -0.43 2.92 -4.23 -1.26 -4.20 115.64 110.90 1av4 s THR 223 Ca -0.02 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1av4 s THR 223 Cb -0.20 -2.59 0.15 0.00 1.34 0.00 0.00 72.50 71.19 1av4 s THR 223 CO -0.00 -0.15 0.27 -1.10 -0.54 0.00 0.00 174.62 173.09 1av4 s GLN 224 N -3.86 1.08 0.63 3.99 -0.21 -1.26 -4.96 119.66 115.07 1av4 s GLN 224 Ca 0.33 -1.92 0.27 0.00 0.02 0.00 0.00 55.36 54.06 1av4 s GLN 224 Cb 0.07 -1.94 1.38 0.00 1.00 0.00 0.00 33.01 33.53 1av4 s GLN 224 CO 0.13 -1.23 1.79 -1.00 -2.12 0.00 0.00 175.29 172.86 1av4 h PRO 225 N 6.52 0.00 -0.20 2.91 0.13 -2.04 0.15 132.00 139.47 1av4 h PRO 225 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1av4 h PRO 225 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1av4 h PRO 225 CO 0.41 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 1av4 n GLU 226 N -3.23 2.64 0.00 0.86 1.02 -1.26 -5.11 120.64 115.56 1av4 n GLU 226 Ca 0.04 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 1av4 n GLU 226 Cb 0.63 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1av4 n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1av4 n GLY 227 N -0.36 -1.32 3.81 0.62 0.00 0.52 -4.96 105.19 103.51 1av4 n GLY 227 Ca 0.14 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1av4 n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1av4 s PRO 228 N -1.24 2.82 0.00 1.61 0.04 -1.26 -4.87 135.00 132.10 1av4 s PRO 228 Ca 0.00 0.98 0.28 0.00 0.04 0.00 0.00 61.00 62.30 1av4 s PRO 228 Cb 0.00 -1.97 0.99 0.00 0.04 0.00 0.00 34.50 33.55 1av4 s PRO 228 CO 0.00 -1.19 1.75 0.43 0.04 0.00 0.00 177.00 178.03 1av4 n SER 229 N -3.20 0.19 -4.86 6.66 7.64 -1.26 -4.85 113.62 113.95 1av4 n SER 229 Ca 0.08 0.19 -0.30 0.00 1.01 0.00 0.00 58.87 59.84 1av4 n SER 229 Cb 0.53 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 1av4 n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1av4 s PHE 230 N -2.97 3.37 0.07 1.43 -0.12 -1.26 -4.60 117.98 113.90 1av4 s PHE 230 Ca 0.14 0.16 0.09 0.00 -0.05 0.00 0.00 56.93 57.27 1av4 s PHE 230 Cb 0.19 -1.69 -0.03 0.00 -0.63 0.00 0.00 43.02 40.85 1av4 s PHE 230 CO 0.59 0.56 -0.22 0.95 -0.05 0.00 0.00 175.22 177.04 1av4 s THR 231 N -1.48 2.49 -0.15 -4.49 -4.23 -0.58 -4.97 115.64 102.24 1av4 s THR 231 Ca 0.32 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1av4 s THR 231 Cb -0.12 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.67 1av4 s THR 231 CO 0.25 0.25 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.70 1av4 s VAL 232 N -0.96 1.91 0.07 2.29 1.01 -1.26 -1.96 120.40 121.51 1av4 s VAL 232 Ca 0.14 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1av4 s VAL 232 Cb -0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1av4 s VAL 232 CO 0.05 0.52 -0.15 0.42 0.00 0.00 0.00 175.10 175.94 1av4 s THR 233 N 1.09 1.17 -1.22 3.92 -4.23 -0.79 -4.76 115.64 110.82 1av4 s THR 233 Ca -0.01 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1av4 s THR 233 Cb -0.14 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1av4 s THR 233 CO -0.07 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1av4 n GLY 234 N 1.36 1.26 3.43 3.99 0.00 -1.26 -1.09 105.19 112.88 1av4 n GLY 234 Ca -0.21 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1av4 n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1av4 n GLY 235 N -1.58 1.51 0.00 -0.02 0.00 -1.26 -4.53 105.19 99.32 1av4 n GLY 235 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1av4 n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1av4 n ASN 236 N 1.69 0.08 -4.72 1.61 6.94 -1.21 -5.02 115.26 114.63 1av4 n ASN 236 Ca 0.00 -1.03 -0.39 0.00 -0.02 0.00 0.00 54.58 53.13 1av4 n ASN 236 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1av4 n ASN 236 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1av4 s HIS 237 N -0.03 3.58 -0.08 -2.53 2.46 -0.25 -1.60 115.29 116.84 1av4 s HIS 237 Ca 0.00 1.18 0.03 0.00 0.47 0.00 0.00 55.06 56.74 1av4 s HIS 237 Cb 0.00 -2.73 -0.02 0.00 -0.13 0.00 0.00 32.58 29.70 1av4 s HIS 237 CO 0.00 0.14 -0.16 0.42 -2.47 0.00 0.00 174.74 172.67 1av4 s ILE 238 N 0.61 2.85 -0.15 0.89 -1.09 0.12 -1.89 121.20 122.55 1av4 s ILE 238 Ca 0.35 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1av4 s ILE 238 Cb -0.17 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1av4 s ILE 238 CO 0.17 0.56 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.71 1av4 s GLU 239 N -0.20 2.07 -0.22 2.79 0.41 -0.83 -1.91 118.70 120.82 1av4 s GLU 239 Ca -0.00 -0.52 -0.08 0.00 -0.41 0.00 0.00 54.97 53.96 1av4 s GLU 239 Cb -0.13 -2.03 0.09 0.00 -1.78 0.00 0.00 34.13 30.28 1av4 s GLU 239 CO 0.03 -0.27 0.46 -0.46 -0.49 0.00 0.00 175.26 174.53 1av4 s TRP 240 N 1.53 -0.88 -1.53 1.61 -0.00 -0.25 -1.52 118.94 117.89 1av4 s TRP 240 Ca 0.04 1.66 -0.01 0.00 -0.00 0.00 0.00 56.10 57.79 1av4 s TRP 240 Cb -0.13 0.40 0.00 0.00 -0.00 0.00 0.00 33.47 33.73 1av4 s TRP 240 CO -0.10 -0.51 0.04 0.39 -0.00 0.00 0.00 176.95 176.77 1av4 n GLU 241 N 5.30 -1.01 -0.17 5.86 -0.58 -1.26 0.29 120.64 129.07 1av4 n GLU 241 Ca -0.10 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1av4 n GLU 241 Cb 0.50 -3.58 0.00 0.00 -0.57 0.00 0.00 31.44 27.79 1av4 n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1av4 n LYS 242 N -4.60 0.00 -3.34 3.49 5.02 -1.26 -4.95 118.16 112.52 1av4 n LYS 242 Ca -0.32 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.62 1av4 n LYS 242 Cb 0.70 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.37 1av4 n LYS 242 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1av4 s TRP 243 N -2.91 3.57 -0.06 2.13 0.52 0.14 0.93 118.94 123.27 1av4 s TRP 243 Ca 0.00 1.06 -0.03 0.00 0.02 0.00 0.00 56.10 57.15 1av4 s TRP 243 Cb 0.00 -2.37 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1av4 s TRP 243 CO 0.00 0.39 0.14 0.45 0.02 0.00 0.00 176.95 177.94 1av4 s SER 244 N -1.83 -0.10 0.13 2.95 0.15 0.49 -1.09 113.70 114.40 1av4 s SER 244 Ca 0.40 0.28 -0.25 0.00 0.70 0.00 0.00 55.95 57.07 1av4 s SER 244 Cb -0.14 0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.42 1av4 s SER 244 CO 0.19 -0.13 0.92 -1.48 1.20 0.00 0.00 173.24 173.95 1av4 s LEU 245 N 0.94 -0.23 -0.12 3.45 2.34 -0.80 0.01 118.68 124.27 1av4 s LEU 245 Ca -0.07 -0.33 0.03 0.00 0.06 0.00 0.00 54.13 53.82 1av4 s LEU 245 Cb -0.09 2.19 0.00 0.00 -0.56 0.00 0.00 46.19 47.72 1av4 s LEU 245 CO -0.05 -0.88 -0.22 -1.81 -1.06 0.00 0.00 176.35 172.33 1av4 s ASP 246 N -2.85 3.22 -0.44 1.48 1.01 -0.06 0.14 116.67 119.17 1av4 s ASP 246 Ca 0.10 -0.54 -0.19 0.00 0.71 0.00 0.00 52.55 52.63 1av4 s ASP 246 Cb -0.02 -1.45 0.03 0.00 1.01 0.00 0.00 42.92 42.49 1av4 s ASP 246 CO 0.00 0.14 0.57 -0.69 0.21 0.00 0.00 175.17 175.39 1av4 s VAL 247 N 0.48 4.92 0.49 -1.27 1.01 -0.62 -0.34 120.40 125.07 1av4 s VAL 247 Ca -0.15 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1av4 s VAL 247 Cb -0.17 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1av4 s VAL 247 CO 0.06 -0.56 0.66 -0.83 0.00 0.00 0.00 175.10 174.43 1av4 s GLY 248 N 2.00 1.86 -0.16 4.51 0.00 0.31 -4.81 107.32 111.04 1av4 s GLY 248 Ca 0.18 -1.89 -0.08 0.00 0.00 0.00 0.00 44.72 42.93 1av4 s GLY 248 CO 0.16 -1.60 0.37 -0.12 0.00 0.00 0.00 173.10 171.91 1av4 s PHE 249 N -2.51 -0.56 -0.02 1.90 5.36 -1.26 -1.05 117.98 119.84 1av4 s PHE 249 Ca 0.57 1.19 0.04 0.00 -0.96 0.00 0.00 56.93 57.78 1av4 s PHE 249 Cb -0.08 0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.80 1av4 s PHE 249 CO 0.35 -0.34 -0.14 0.34 -1.46 0.00 0.00 175.22 173.98 1av4 s ASP 250 N 1.59 1.65 0.54 6.13 2.15 -0.30 -4.88 116.67 123.56 1av4 s ASP 250 Ca -0.08 -0.26 0.22 0.00 0.43 0.00 0.00 52.55 52.86 1av4 s ASP 250 Cb -0.09 -0.24 1.43 0.00 -0.30 0.00 0.00 42.92 43.72 1av4 s ASP 250 CO -0.12 0.16 2.13 -0.37 -0.17 0.00 0.00 175.17 176.80 1av4 h VAL 251 N 4.90 0.80 0.02 1.11 -1.51 -1.86 0.26 116.25 119.97 1av4 h VAL 251 Ca -0.34 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 64.92 1av4 h VAL 251 Cb 1.16 0.92 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 1av4 h VAL 251 CO 0.49 0.00 -1.15 -0.09 -1.23 0.00 0.00 177.57 175.58 1av4 h ARG 252 N 0.00 0.04 0.00 5.19 2.43 -1.90 0.17 114.38 120.31 1av4 h ARG 252 Ca 0.07 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 1av4 h ARG 252 Cb 0.28 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1av4 h ARG 252 CO -0.00 1.03 -1.28 0.93 -1.51 0.00 0.00 179.97 179.15 1av4 h GLU 253 N -0.86 0.00 0.00 0.20 5.08 -1.83 -3.27 114.58 113.89 1av4 h GLU 253 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1av4 h GLU 253 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1av4 h GLU 253 CO -0.14 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 178.87 1av4 n GLY 254 N 1.42 0.87 3.70 -3.84 0.00 0.91 -4.64 105.19 103.61 1av4 n GLY 254 Ca -0.08 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1av4 n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1av4 s VAL 255 N 0.00 3.56 -0.07 1.61 1.01 -1.26 -1.15 120.40 124.09 1av4 s VAL 255 Ca 0.00 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1av4 s VAL 255 Cb 0.00 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1av4 s VAL 255 CO 0.00 0.05 -0.22 -0.69 0.00 0.00 0.00 175.10 174.23 1av4 s VAL 256 N 1.65 1.87 -0.22 2.92 1.01 -0.22 -4.68 120.40 122.74 1av4 s VAL 256 Ca 0.64 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1av4 s VAL 256 Cb -0.34 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1av4 s VAL 256 CO 0.29 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 175.26 1av4 s LEU 257 N 0.13 3.91 0.12 3.92 1.43 -0.09 0.11 118.68 128.21 1av4 s LEU 257 Ca -0.10 0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 1av4 s LEU 257 Cb -0.15 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1av4 s LEU 257 CO 0.05 0.09 -0.08 -1.00 0.23 0.00 0.00 176.35 175.64 1av4 s HIS 258 N 0.90 2.76 -1.28 0.29 3.76 0.54 -0.54 115.29 121.71 1av4 s HIS 258 Ca 0.06 -0.15 -0.25 0.00 -0.15 0.00 0.00 55.06 54.57 1av4 s HIS 258 Cb -0.13 -1.42 0.03 0.00 1.11 0.00 0.00 32.58 32.16 1av4 s HIS 258 CO 0.03 0.45 0.55 0.09 -0.85 0.00 0.00 174.74 175.00 1av4 n ASN 259 N 0.55 -3.05 -4.66 1.40 3.02 0.04 -0.89 115.26 111.67 1av4 n ASN 259 Ca -0.13 -1.25 -0.43 0.00 -0.03 0.00 0.00 54.58 52.75 1av4 n ASN 259 Cb 0.53 -1.94 -0.02 0.00 -0.61 0.00 0.00 39.78 37.74 1av4 n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1av4 s ILE 260 N -3.72 4.21 0.04 2.41 1.01 0.25 -3.95 121.20 121.45 1av4 s ILE 260 Ca 0.37 1.46 -0.00 0.00 0.00 0.00 0.00 60.65 62.47 1av4 s ILE 260 Cb -0.19 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1av4 s ILE 260 CO 0.96 -0.14 -0.03 0.00 0.00 0.00 0.00 174.94 175.73 1av4 s ALA 261 N 3.59 0.43 -0.07 9.38 0.00 0.10 -1.23 121.76 133.97 1av4 s ALA 261 Ca 0.57 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1av4 s ALA 261 Cb -0.23 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 1av4 s ALA 261 CO 0.16 -0.29 -0.20 0.12 0.00 0.00 0.00 175.76 175.55 1av4 s PHE 262 N -3.16 2.08 -0.82 0.00 2.19 0.53 -0.38 117.98 118.41 1av4 s PHE 262 Ca 0.01 -0.70 -0.23 0.00 0.33 0.00 0.00 56.93 56.34 1av4 s PHE 262 Cb 0.02 -1.40 0.07 0.00 -1.31 0.00 0.00 43.02 40.41 1av4 s PHE 262 CO -0.07 -0.26 1.18 0.50 1.83 0.00 0.00 175.22 178.40 1av4 s ARG 263 N 0.16 3.35 -1.04 10.12 3.52 0.26 0.09 118.95 135.42 1av4 s ARG 263 Ca -0.09 -0.99 -0.16 0.00 -0.13 0.00 0.00 55.73 54.36 1av4 s ARG 263 Cb -0.14 -4.64 0.16 0.00 -1.56 0.00 0.00 34.95 28.77 1av4 s ARG 263 CO 0.05 -1.97 1.21 0.34 -0.81 0.00 0.00 175.30 174.12 1av4 s ASP 264 N 3.98 6.86 -0.01 -2.12 2.15 0.39 -4.77 116.67 123.15 1av4 s ASP 264 Ca 0.33 -2.58 -0.00 0.00 0.43 0.00 0.00 52.55 50.72 1av4 s ASP 264 Cb -0.08 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1av4 s ASP 264 CO 0.02 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 1av4 n GLY 265 N 4.62 -0.15 4.29 2.66 0.00 -1.26 -2.43 105.19 112.92 1av4 n GLY 265 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1av4 n GLY 265 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1av4 n ASP 266 N 1.49 0.00 -4.54 1.61 8.00 -1.26 -4.92 116.55 116.93 1av4 n ASP 266 Ca -0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1av4 n ASP 266 Cb 0.40 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 1av4 n ASP 266 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1av4 s ARG 267 N 0.00 3.53 -0.38 -1.24 3.52 -1.02 -5.05 118.95 118.32 1av4 s ARG 267 Ca 0.00 -0.50 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 1av4 s ARG 267 Cb 0.00 -3.81 0.02 0.00 -1.56 0.00 0.00 34.95 29.60 1av4 s ARG 267 CO 0.00 -0.50 1.03 -1.17 -0.81 0.00 0.00 175.30 173.85 1av4 s LEU 268 N 1.91 3.89 -0.21 -0.88 2.96 -1.26 -0.46 118.68 124.62 1av4 s LEU 268 Ca 0.10 0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 54.64 1av4 s LEU 268 Cb -0.17 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1av4 s LEU 268 CO 0.11 -0.97 0.06 -0.13 -1.32 0.00 0.00 176.35 174.11 1av4 s ARG 269 N 3.78 3.81 0.38 1.98 0.52 0.11 -4.91 118.95 124.62 1av4 s ARG 269 Ca 0.43 -0.42 -0.25 0.00 -0.52 0.00 0.00 55.73 54.97 1av4 s ARG 269 Cb -0.11 -3.26 -0.09 0.00 0.52 0.00 0.00 34.95 32.01 1av4 s ARG 269 CO 0.21 0.04 1.09 -1.25 0.02 0.00 0.00 175.30 175.41 1av4 s PRO 270 N 1.00 4.21 0.00 3.54 0.04 -1.26 -0.35 135.00 142.18 1av4 s PRO 270 Ca 0.04 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1av4 s PRO 270 Cb -0.14 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1av4 s PRO 270 CO 0.03 -0.13 0.00 -0.89 0.04 0.00 0.00 177.00 176.05 1av4 n ILE 271 N 0.17 0.00 -3.95 0.56 5.41 -0.37 0.02 119.36 121.20 1av4 n ILE 271 Ca 0.04 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.57 1av4 n ILE 271 Cb 0.48 -1.26 -0.17 0.00 -0.71 0.00 0.00 39.64 37.98 1av4 n ILE 271 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1av4 s ILE 272 N -2.00 0.47 0.01 1.39 1.01 -1.02 -2.14 121.20 118.91 1av4 s ILE 272 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 1av4 s ILE 272 Cb 0.00 -0.56 -0.20 0.00 0.01 0.00 0.00 42.46 41.72 1av4 s ILE 272 CO 0.00 0.24 1.17 -1.13 0.00 0.00 0.00 174.94 175.23 1av4 h ASN 273 N 7.77 0.42 -3.38 3.58 -0.00 -1.14 0.73 115.58 123.57 1av4 h ASN 273 Ca -0.29 -0.66 -0.18 0.00 -0.00 0.00 0.00 56.30 55.17 1av4 h ASN 273 Cb 1.14 -0.13 -0.29 0.00 -0.00 0.00 0.00 38.32 39.05 1av4 h ASN 273 CO 0.37 1.02 -0.44 -0.60 -0.00 0.00 0.00 177.43 177.78 1av4 s ARG 274 N -3.58 0.25 -0.06 6.67 3.52 -1.10 -0.78 118.95 123.88 1av4 s ARG 274 Ca -0.14 0.56 0.01 0.00 -0.13 0.00 0.00 55.73 56.04 1av4 s ARG 274 Cb 0.04 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 1av4 s ARG 274 CO 0.78 -0.15 -0.07 0.00 -0.81 0.00 0.00 175.30 175.05 1av4 s ALA 275 N 1.16 0.90 0.20 6.12 0.00 0.30 -0.40 121.76 130.04 1av4 s ALA 275 Ca -0.08 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 1av4 s ALA 275 Cb -0.09 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.58 1av4 s ALA 275 CO -0.08 -0.00 0.68 -1.54 0.00 0.00 0.00 175.76 174.81 1av4 s SER 276 N 0.90 -0.42 -0.49 0.00 1.04 -1.05 -0.91 113.70 112.77 1av4 s SER 276 Ca -0.11 -0.26 -0.17 0.00 0.48 0.00 0.00 55.95 55.89 1av4 s SER 276 Cb -0.15 0.63 0.06 0.00 0.10 0.00 0.00 66.02 66.67 1av4 s SER 276 CO 0.01 -1.09 0.52 -0.63 0.98 0.00 0.00 173.24 173.03 1av4 s ILE 277 N -3.76 5.03 -1.48 -1.02 -1.09 -1.26 -0.61 121.20 117.01 1av4 s ILE 277 Ca 0.06 -0.75 0.29 0.00 -2.23 0.00 0.00 60.65 58.02 1av4 s ILE 277 Cb -0.03 -4.22 0.41 0.00 -1.58 0.00 0.00 42.46 37.04 1av4 s ILE 277 CO -0.04 -0.71 1.87 0.00 -1.23 0.00 0.00 174.94 174.83 1av4 n ALA 278 N 5.74 2.72 -3.61 9.38 0.00 0.11 -4.73 120.51 130.12 1av4 n ALA 278 Ca -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 1av4 n ALA 278 Cb 0.45 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1av4 n ALA 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1av4 s GLU 279 N -2.59 0.25 -0.29 0.00 2.56 -1.23 -4.57 118.70 112.82 1av4 s GLU 279 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.97 55.14 1av4 s GLU 279 Cb 0.20 0.11 0.17 0.00 2.00 0.00 0.00 34.13 36.61 1av4 s GLU 279 CO 0.50 -0.10 0.60 0.00 -0.56 0.00 0.00 175.26 175.69 1av4 s MET 280 N -1.94 0.55 -0.01 4.30 0.23 -1.26 -1.37 119.30 119.81 1av4 s MET 280 Ca 0.09 1.10 -0.01 0.00 -1.03 0.00 0.00 55.69 55.84 1av4 s MET 280 Cb -0.01 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 33.83 1av4 s MET 280 CO -0.05 -0.50 0.11 0.08 -2.03 0.00 0.00 175.02 172.64 1av4 s VAL 281 N 2.85 4.96 -0.57 5.16 1.01 -0.25 -1.98 120.40 131.58 1av4 s VAL 281 Ca 0.13 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1av4 s VAL 281 Cb -0.14 -3.29 0.16 0.00 0.00 0.00 0.00 36.38 33.12 1av4 s VAL 281 CO -0.20 0.34 0.41 -0.69 0.00 0.00 0.00 175.10 174.96 1av4 s VAL 282 N -1.24 1.83 0.30 2.92 1.01 0.17 -0.99 120.40 124.40 1av4 s VAL 282 Ca 0.24 -3.50 -0.27 0.00 0.00 0.00 0.00 61.98 58.45 1av4 s VAL 282 Cb -0.12 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1av4 s VAL 282 CO 0.16 -1.07 0.99 -2.16 0.00 0.00 0.00 175.10 173.02 1av4 s PRO 283 N -0.70 4.60 -0.07 2.72 0.04 -1.20 -2.00 135.00 138.40 1av4 s PRO 283 Ca 0.27 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1av4 s PRO 283 Cb -0.04 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1av4 s PRO 283 CO -0.15 0.26 0.12 0.71 0.04 0.00 0.00 177.00 177.97 1av4 s TYR 284 N -1.41 3.46 -0.38 0.56 1.51 -0.92 -2.15 117.35 118.03 1av4 s TYR 284 Ca 0.48 0.38 0.15 0.00 -1.01 0.00 0.00 57.07 57.07 1av4 s TYR 284 Cb -0.24 -1.86 0.78 0.00 -0.11 0.00 0.00 41.96 40.54 1av4 s TYR 284 CO 0.30 0.64 1.71 0.41 -1.11 0.00 0.00 175.55 177.50 1av4 n GLY 285 N 1.64 3.06 3.62 0.71 0.00 0.26 -4.91 105.19 109.57 1av4 n GLY 285 Ca -0.17 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1av4 n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1av4 s ASP 286 N -0.91 6.54 0.00 1.61 -1.08 -1.26 -4.79 116.67 116.79 1av4 s ASP 286 Ca 0.53 0.63 0.26 0.00 -0.52 0.00 0.00 52.55 53.46 1av4 s ASP 286 Cb 0.40 -2.33 1.29 0.00 -1.46 0.00 0.00 42.92 40.82 1av4 s ASP 286 CO 0.17 -0.38 1.89 -0.81 0.52 0.00 0.00 175.17 176.56 1av4 n PRO 287 N 5.72 0.30 -1.86 4.34 -0.04 -1.26 -3.61 135.00 138.59 1av4 n PRO 287 Ca -0.01 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1av4 n PRO 287 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1av4 n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1av4 s SER 288 N -2.65 6.50 0.10 3.54 0.15 -1.26 -4.71 113.70 115.36 1av4 s SER 288 Ca 0.23 2.78 0.05 0.00 0.70 0.00 0.00 55.95 59.71 1av4 s SER 288 Cb 0.18 -2.61 0.30 0.00 -1.71 0.00 0.00 66.02 62.17 1av4 s SER 288 CO 0.42 -0.85 1.09 -0.81 1.20 0.00 0.00 173.24 174.28 1av4 n PRO 289 N 3.06 0.04 0.10 5.44 -0.04 -1.26 -0.35 135.00 141.99 1av4 n PRO 289 Ca 0.11 0.47 -0.03 0.00 -0.04 0.00 0.00 63.50 64.01 1av4 n PRO 289 Cb 0.38 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 1av4 n PRO 289 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1av4 h ILE 290 N 0.00 1.33 0.00 0.52 1.08 -1.95 -3.40 117.51 115.09 1av4 h ILE 290 Ca 0.00 -2.84 0.00 0.00 -0.39 0.00 0.00 64.86 61.63 1av4 h ILE 290 Cb 0.21 2.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1av4 h ILE 290 CO 0.00 0.75 0.00 0.54 -0.69 0.00 0.00 178.15 178.75 1av4 n ARG 291 N -3.31 0.13 0.00 2.37 1.74 -0.45 -4.83 116.66 112.31 1av4 n ARG 291 Ca 0.01 -0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.02 1av4 n ARG 291 Cb 0.84 -0.49 0.05 0.00 -1.02 0.00 0.00 32.46 31.83 1av4 n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1av4 n SER 292 N -0.04 0.00 -0.45 0.55 3.41 0.53 -0.24 113.62 117.37 1av4 n SER 292 Ca 0.00 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.07 1av4 n SER 292 Cb 0.16 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 1av4 n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1av4 n TRP 293 N -1.37 0.00 -2.40 7.33 4.27 -1.26 -4.95 117.44 119.06 1av4 n TRP 293 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 1av4 n TRP 293 Cb 0.02 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 29.95 1av4 n TRP 293 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1av4 s GLN 294 N -2.51 3.99 -0.28 -2.67 0.74 0.66 -4.43 119.66 115.15 1av4 s GLN 294 Ca 0.17 1.40 0.00 0.00 0.05 0.00 0.00 55.36 56.98 1av4 s GLN 294 Cb 0.18 -3.86 0.17 0.00 1.10 0.00 0.00 33.01 30.60 1av4 s GLN 294 CO 0.60 -1.02 0.51 -0.80 -0.55 0.00 0.00 175.29 174.03 1av4 s ASN 295 N 2.69 -0.76 -0.04 6.67 0.01 -1.26 -2.17 114.94 120.08 1av4 s ASN 295 Ca 0.57 0.39 -0.26 0.00 -0.71 0.00 0.00 52.86 52.85 1av4 s ASN 295 Cb -0.19 1.72 -0.03 0.00 0.41 0.00 0.00 41.25 43.16 1av4 s ASN 295 CO 0.21 -0.29 0.81 -0.31 -1.51 0.00 0.00 177.10 176.01 1av4 s TYR 296 N 2.73 3.61 -0.84 2.20 1.51 -0.85 -4.82 117.35 120.88 1av4 s TYR 296 Ca 0.15 1.43 0.01 0.00 -1.01 0.00 0.00 57.07 57.65 1av4 s TYR 296 Cb -0.14 -2.93 0.28 0.00 -0.11 0.00 0.00 41.96 39.05 1av4 s TYR 296 CO -0.22 0.04 1.07 1.19 -1.11 0.00 0.00 175.55 176.52 1av4 n PHE 297 N 3.86 3.05 -0.32 2.71 3.01 -1.26 0.42 117.46 128.93 1av4 n PHE 297 Ca 0.02 -3.46 0.20 0.00 1.01 0.00 0.00 57.45 55.22 1av4 n PHE 297 Cb 0.51 -0.87 0.40 0.00 -0.01 0.00 0.00 39.48 39.50 1av4 n PHE 297 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1av4 h ASP 298 N 4.76 -0.01 0.02 4.37 5.19 -1.76 0.36 116.42 129.35 1av4 h ASP 298 Ca 0.20 0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.85 1av4 h ASP 298 Cb 0.64 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1av4 h ASP 298 CO 1.06 -0.30 -0.01 0.74 -3.12 0.00 0.00 179.24 177.61 1av4 h THR 299 N 0.10 1.39 -0.18 0.35 2.02 -1.86 -1.90 112.91 112.83 1av4 h THR 299 Ca 0.67 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1av4 h THR 299 Cb 1.54 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 70.49 1av4 h THR 299 CO -0.77 0.44 0.05 1.23 0.37 0.00 0.00 175.52 176.84 1av4 h GLY 300 N -0.91 0.31 0.17 2.16 0.00 -1.64 -3.03 103.07 100.12 1av4 h GLY 300 Ca -0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 47.33 46.87 1av4 h GLY 300 CO 0.00 0.17 -1.48 1.18 0.00 0.00 0.00 176.54 176.42 1av4 n GLU 301 N -4.80 0.62 0.04 4.80 1.02 0.12 -4.48 120.64 117.95 1av4 n GLU 301 Ca -0.04 0.49 -0.15 0.00 -0.02 0.00 0.00 57.16 57.44 1av4 n GLU 301 Cb 0.15 -1.74 -0.14 0.00 -0.02 0.00 0.00 31.44 29.70 1av4 n GLU 301 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1av4 h TYR 302 N -0.70 0.32 -2.88 -0.32 -1.99 -1.58 -2.17 116.97 107.64 1av4 h TYR 302 Ca -0.37 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.12 1av4 h TYR 302 Cb 1.51 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.23 1av4 h TYR 302 CO 0.09 1.31 0.00 1.28 -0.00 0.00 0.00 178.16 180.84 1av4 n LEU 303 N -3.36 -1.92 -0.19 3.88 4.77 -0.72 -4.82 117.00 114.64 1av4 n LEU 303 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1av4 n LEU 303 Cb 1.04 -0.96 0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1av4 n LEU 303 CO 0.48 0.00 0.88 0.58 -1.33 0.00 0.00 177.39 178.01 1av4 h VAL 304 N 0.00 0.60 -0.65 4.08 2.07 -1.55 -2.48 116.25 118.32 1av4 h VAL 304 Ca 0.00 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1av4 h VAL 304 Cb 0.00 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1av4 h VAL 304 CO 0.00 0.04 0.43 1.23 0.02 0.00 0.00 177.57 179.29 1av4 h GLY 305 N 0.20 0.78 1.93 2.17 0.00 -0.85 -1.62 103.07 105.69 1av4 h GLY 305 Ca 0.30 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1av4 h GLY 305 CO -0.43 0.17 0.03 -1.61 0.00 0.00 0.00 176.54 174.69 1av4 h GLN 306 N 0.60 0.00 -0.40 4.80 4.15 -1.22 -2.28 115.11 120.76 1av4 h GLN 306 Ca 0.29 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 1av4 h GLN 306 Cb 0.35 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1av4 h GLN 306 CO -0.09 0.00 0.02 0.66 -1.93 0.00 0.00 178.83 177.49 1av4 n TYR 307 N -4.07 1.40 -2.01 3.99 4.01 -0.61 -5.00 117.16 114.86 1av4 n TYR 307 Ca -0.02 -0.92 -0.41 0.00 -0.16 0.00 0.00 57.90 56.38 1av4 n TYR 307 Cb 0.12 -0.42 -0.02 0.00 -0.31 0.00 0.00 39.34 38.71 1av4 n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1av4 s ALA 308 N -2.86 3.63 0.63 -0.72 0.00 -0.86 -2.26 121.76 119.32 1av4 s ALA 308 Ca 0.47 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.67 1av4 s ALA 308 Cb 0.38 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1av4 s ALA 308 CO 0.11 -0.74 0.98 -0.80 0.00 0.00 0.00 175.76 175.30 1av4 s ASN 309 N 0.41 5.63 -0.30 0.00 0.01 -0.30 -4.96 114.94 115.43 1av4 s ASN 309 Ca 0.60 0.93 -0.17 0.00 -0.71 0.00 0.00 52.86 53.51 1av4 s ASN 309 Cb -0.42 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 1av4 s ASN 309 CO 0.42 -1.12 0.46 -0.44 -1.51 0.00 0.00 177.10 174.92 1av4 s SER 310 N -4.30 6.33 0.14 -1.22 0.01 -1.26 -4.33 113.70 109.06 1av4 s SER 310 Ca 0.55 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.78 1av4 s SER 310 Cb -0.11 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.80 1av4 s SER 310 CO 0.48 -0.32 0.81 -0.76 0.41 0.00 0.00 173.24 173.86 1av4 s LEU 311 N 2.25 4.56 -0.05 2.44 1.43 -0.52 -4.99 118.68 123.79 1av4 s LEU 311 Ca 0.18 1.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.87 1av4 s LEU 311 Cb -0.16 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1av4 s LEU 311 CO 0.11 0.13 0.17 -1.61 0.23 0.00 0.00 176.35 175.38 1av4 s GLU 312 N -0.77 3.46 0.19 1.70 2.02 -1.26 -4.87 118.70 119.16 1av4 s GLU 312 Ca 0.38 -0.21 -0.31 0.00 0.02 0.00 0.00 54.97 54.85 1av4 s GLU 312 Cb -0.23 -3.14 -0.10 0.00 0.10 0.00 0.00 34.13 30.77 1av4 s GLU 312 CO 0.26 0.72 1.51 -0.51 0.02 0.00 0.00 175.26 177.26 1av4 s LEU 313 N -1.54 4.37 0.00 1.80 1.43 -1.26 -1.34 118.68 122.14 1av4 s LEU 313 Ca 0.22 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1av4 s LEU 313 Cb -0.12 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1av4 s LEU 313 CO 0.12 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1av4 n GLY 314 N 3.20 2.94 0.21 -3.19 0.00 -0.16 -4.76 105.19 103.44 1av4 n GLY 314 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1av4 n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1av4 h ASP 316 N -0.70 0.79 -3.32 0.00 3.32 -1.51 -3.45 116.42 111.55 1av4 h ASP 316 Ca 0.00 -0.93 -0.44 0.00 0.02 0.00 0.00 57.03 55.68 1av4 h ASP 316 Cb 0.70 -0.26 -0.36 0.00 0.22 0.00 0.00 39.33 39.63 1av4 h ASP 316 CO 0.00 1.73 -0.78 0.00 -1.72 0.00 0.00 179.24 178.48 1av4 s LEU 318 N 1.52 3.39 0.00 0.00 2.96 -1.26 -0.99 118.68 124.30 1av4 s LEU 318 Ca -0.01 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1av4 s LEU 318 Cb -0.13 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1av4 s LEU 318 CO -0.04 0.36 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 1av4 n GLY 319 N 2.08 0.15 3.40 7.98 0.00 -1.26 -4.86 105.19 112.68 1av4 n GLY 319 Ca -0.18 -2.18 -0.44 0.00 0.00 0.00 0.00 46.02 43.22 1av4 n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1av4 s ASP 320 N -4.00 6.30 -0.13 1.61 -1.08 -1.26 -4.95 116.67 113.17 1av4 s ASP 320 Ca 0.00 -1.54 -0.07 0.00 -0.52 0.00 0.00 52.55 50.42 1av4 s ASP 320 Cb 0.00 -2.34 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1av4 s ASP 320 CO 0.00 -1.14 0.15 -0.63 0.52 0.00 0.00 175.17 174.06 1av4 s ILE 321 N 2.82 5.49 -0.12 4.11 -1.09 -1.26 -4.65 121.20 126.49 1av4 s ILE 321 Ca 0.18 0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1av4 s ILE 321 Cb -0.18 -3.41 -0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1av4 s ILE 321 CO 0.03 0.60 -0.19 0.42 -1.23 0.00 0.00 174.94 174.57 1av4 s THR 322 N -0.88 2.47 0.18 2.92 -4.23 -0.54 -4.97 115.64 110.57 1av4 s THR 322 Ca 0.14 -0.87 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1av4 s THR 322 Cb -0.12 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1av4 s THR 322 CO 0.04 0.54 0.27 -0.31 -0.54 0.00 0.00 174.62 174.62 1av4 s TYR 323 N 0.45 3.40 -0.08 3.99 2.02 -1.26 -1.54 117.35 124.33 1av4 s TYR 323 Ca -0.13 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1av4 s TYR 323 Cb -0.17 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1av4 s TYR 323 CO 0.06 0.50 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.86 1av4 s LEU 324 N -3.41 1.83 -0.72 -1.29 1.43 -0.70 -5.00 118.68 110.82 1av4 s LEU 324 Ca 0.34 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1av4 s LEU 324 Cb -0.10 -1.05 0.18 0.00 0.03 0.00 0.00 46.19 45.25 1av4 s LEU 324 CO 0.27 0.09 0.57 -0.44 0.23 0.00 0.00 176.35 177.07 1av4 s SER 325 N 0.50 5.64 0.41 2.29 0.01 -1.26 -1.95 113.70 119.35 1av4 s SER 325 Ca -0.16 -3.02 -0.26 0.00 1.31 0.00 0.00 55.95 53.83 1av4 s SER 325 Cb -0.16 -1.93 -0.09 0.00 0.21 0.00 0.00 66.02 64.05 1av4 s SER 325 CO 0.06 -0.36 1.33 -2.16 0.41 0.00 0.00 173.24 172.51 1av4 s PRO 326 N -0.31 3.91 -0.15 12.44 0.04 -1.22 -4.67 135.00 145.04 1av4 s PRO 326 Ca 0.19 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 1av4 s PRO 326 Cb -0.16 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1av4 s PRO 326 CO -0.06 -0.56 0.11 0.08 0.04 0.00 0.00 177.00 176.61 1av4 s VAL 327 N -1.25 5.23 0.26 -0.36 1.01 -1.26 -0.58 120.40 123.45 1av4 s VAL 327 Ca 0.58 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.73 1av4 s VAL 327 Cb -0.39 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1av4 s VAL 327 CO 0.50 0.54 -0.04 -0.51 0.00 0.00 0.00 175.10 175.59 1av4 s ILE 328 N -0.37 1.45 -0.06 2.22 2.07 0.14 -4.82 121.20 121.83 1av4 s ILE 328 Ca 0.11 -2.09 -0.03 0.00 -1.41 0.00 0.00 60.65 57.22 1av4 s ILE 328 Cb -0.12 -2.41 -0.04 0.00 0.13 0.00 0.00 42.46 40.03 1av4 s ILE 328 CO 0.01 -0.32 0.08 -0.55 -1.91 0.00 0.00 174.94 172.26 1av4 s SER 329 N -3.40 5.80 0.66 4.50 0.15 -1.26 0.30 113.70 120.45 1av4 s SER 329 Ca 0.29 0.25 -0.02 0.00 0.70 0.00 0.00 55.95 57.17 1av4 s SER 329 Cb 0.04 -1.73 0.08 0.00 -1.71 0.00 0.00 66.02 62.70 1av4 s SER 329 CO 0.11 0.34 0.55 -0.90 1.20 0.00 0.00 173.24 174.54 1av4 n ASP 330 N 1.64 0.57 0.10 5.45 5.68 -0.76 -4.90 116.55 124.33 1av4 n ASP 330 Ca -0.16 -1.52 0.09 0.00 -0.50 0.00 0.00 54.79 52.70 1av4 n ASP 330 Cb 0.54 -0.37 0.41 0.00 -1.14 0.00 0.00 41.12 40.55 1av4 n ASP 330 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1av4 n ALA 331 N -3.05 1.30 0.49 2.12 0.00 -1.26 -2.13 120.51 117.98 1av4 n ALA 331 Ca -0.09 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1av4 n ALA 331 Cb 0.30 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.52 1av4 n ALA 331 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1av4 n PHE 332 N -2.01 0.00 -0.38 0.00 3.72 -1.26 -0.84 117.46 116.69 1av4 n PHE 332 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1av4 n PHE 332 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1av4 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1av4 n GLY 333 N 0.76 0.79 3.83 1.37 0.00 -0.91 -4.98 105.19 106.06 1av4 n GLY 333 Ca 0.06 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1av4 n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1av4 s ASN 334 N -2.11 6.92 0.35 1.61 -0.87 -1.26 -4.40 114.94 115.18 1av4 s ASN 334 Ca 0.00 1.20 -0.27 0.00 -1.57 0.00 0.00 52.86 52.22 1av4 s ASN 334 Cb 0.00 -2.33 -0.09 0.00 -0.02 0.00 0.00 41.25 38.80 1av4 s ASN 334 CO 0.00 0.10 1.19 -2.16 -2.57 0.00 0.00 177.10 173.66 1av4 s PRO 335 N -1.85 4.29 -0.07 -0.60 0.04 -1.26 -1.83 135.00 133.72 1av4 s PRO 335 Ca 0.38 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 63.35 1av4 s PRO 335 Cb -0.16 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.49 1av4 s PRO 335 CO 0.20 -0.14 -0.04 0.50 0.04 0.00 0.00 177.00 177.55 1av4 s ARG 336 N -1.94 0.99 -0.14 4.56 3.00 0.15 -4.88 118.95 120.68 1av4 s ARG 336 Ca 0.52 -0.09 -0.13 0.00 -1.00 0.00 0.00 55.73 55.02 1av4 s ARG 336 Cb -0.33 -1.11 -0.05 0.00 0.00 0.00 0.00 34.95 33.46 1av4 s ARG 336 CO 0.43 -0.19 0.29 -2.00 0.00 0.00 0.00 175.30 173.83 1av4 s GLU 337 N 1.45 4.14 -0.84 5.12 2.12 -1.26 0.23 118.70 129.66 1av4 s GLU 337 Ca -0.02 0.11 -0.17 0.00 0.36 0.00 0.00 54.97 55.25 1av4 s GLU 337 Cb -0.13 -3.38 0.16 0.00 0.26 0.00 0.00 34.13 31.04 1av4 s GLU 337 CO -0.03 0.34 0.92 0.42 -0.54 0.00 0.00 175.26 176.37 1av4 s ILE 338 N 0.14 5.11 0.20 -3.70 -1.09 0.25 -4.98 121.20 117.13 1av4 s ILE 338 Ca 0.17 -1.86 -0.32 0.00 -2.23 0.00 0.00 60.65 56.41 1av4 s ILE 338 Cb -0.13 -4.61 -0.11 0.00 -1.58 0.00 0.00 42.46 36.03 1av4 s ILE 338 CO 0.05 -1.26 1.64 -0.60 -1.23 0.00 0.00 174.94 173.54 1av4 s ARG 339 N 1.65 4.16 -1.43 2.79 3.52 -1.26 -2.64 118.95 125.73 1av4 s ARG 339 Ca 0.24 2.50 -0.10 0.00 -0.13 0.00 0.00 55.73 58.24 1av4 s ARG 339 Cb -0.10 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.25 1av4 s ARG 339 CO -0.07 -0.67 0.69 0.09 -0.81 0.00 0.00 175.30 174.53 1av4 n ASN 340 N 3.73 -4.72 0.18 -2.12 3.02 -1.26 -4.29 115.26 109.80 1av4 n ASN 340 Ca 0.14 -0.49 0.14 0.00 -0.03 0.00 0.00 54.58 54.33 1av4 n ASN 340 Cb 0.37 -3.83 0.42 0.00 -0.61 0.00 0.00 39.78 36.13 1av4 n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1av4 h GLY 341 N -1.47 0.00 -6.60 7.41 0.00 -1.26 -1.39 103.07 99.77 1av4 h GLY 341 Ca -0.51 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.32 1av4 h GLY 341 CO 0.59 0.00 -0.80 -0.42 0.00 0.00 0.00 176.54 175.91 1av4 s ILE 342 N -3.31 0.92 -0.03 2.60 1.01 -0.82 -4.51 121.20 117.07 1av4 s ILE 342 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1av4 s ILE 342 Cb 0.09 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 1av4 s ILE 342 CO 0.56 0.34 0.26 0.00 0.00 0.00 0.00 174.94 176.10 1av4 s MET 344 N -1.46 -0.05 0.02 0.00 -1.94 -0.59 -1.66 119.30 113.63 1av4 s MET 344 Ca 0.24 0.25 -0.27 0.00 -1.71 0.00 0.00 55.69 54.20 1av4 s MET 344 Cb -0.13 -0.33 0.09 0.00 2.01 0.00 0.00 34.83 36.47 1av4 s MET 344 CO 0.12 -0.22 0.80 -3.38 -0.01 0.00 0.00 175.02 172.33 1av4 s HIS 345 N 1.42 -0.43 0.10 -0.03 -3.43 -0.77 -1.47 115.29 110.68 1av4 s HIS 345 Ca -0.05 0.36 0.04 0.00 -0.80 0.00 0.00 55.06 54.61 1av4 s HIS 345 Cb -0.13 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 1av4 s HIS 345 CO -0.03 -0.62 0.08 -1.83 -2.00 0.00 0.00 174.74 170.34 1av4 s GLU 346 N -2.95 2.84 0.02 -0.38 -1.05 -1.26 0.56 118.70 116.48 1av4 s GLU 346 Ca 0.02 -0.74 -0.08 0.00 -0.15 0.00 0.00 54.97 54.02 1av4 s GLU 346 Cb -0.01 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 1av4 s GLU 346 CO -0.08 0.55 0.16 -1.83 0.95 0.00 0.00 175.26 175.01 1av4 s GLU 347 N -2.51 0.59 0.29 -4.83 -1.05 0.42 -4.91 118.70 106.70 1av4 s GLU 347 Ca 0.29 -0.55 -0.29 0.00 -0.15 0.00 0.00 54.97 54.27 1av4 s GLU 347 Cb -0.12 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.72 1av4 s GLU 347 CO 0.22 -0.16 1.34 0.34 0.95 0.00 0.00 175.26 177.95 1av4 s ASP 348 N -1.80 6.76 -0.33 0.83 2.15 -1.26 -1.03 116.67 122.00 1av4 s ASP 348 Ca -0.09 2.63 0.11 0.00 0.43 0.00 0.00 52.55 55.64 1av4 s ASP 348 Cb -0.04 -2.64 0.46 0.00 -0.30 0.00 0.00 42.92 40.41 1av4 s ASP 348 CO -0.02 -0.57 1.12 1.87 -0.17 0.00 0.00 175.17 177.40 1av4 n TRP 349 N 1.51 2.41 -4.59 -5.34 -0.00 -0.42 -4.85 117.44 106.16 1av4 n TRP 349 Ca 0.03 -2.51 0.00 0.00 -0.00 0.00 0.00 57.50 55.02 1av4 n TRP 349 Cb 0.42 -0.26 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 1av4 n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1av4 n GLY 350 N -0.54 0.27 3.71 5.87 0.00 -1.26 -4.42 105.19 108.82 1av4 n GLY 350 Ca 0.30 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1av4 n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1av4 s ILE 351 N 0.00 4.44 -0.14 -0.61 -1.09 -1.26 0.78 121.20 123.31 1av4 s ILE 351 Ca 0.00 1.77 -0.06 0.00 -2.23 0.00 0.00 60.65 60.13 1av4 s ILE 351 Cb 0.00 -4.14 -0.25 0.00 -1.58 0.00 0.00 42.46 36.50 1av4 s ILE 351 CO 0.00 0.15 0.27 -0.11 -1.23 0.00 0.00 174.94 174.02 1av4 n LEU 352 N 3.82 2.67 -3.50 2.97 7.94 0.16 -4.56 117.00 126.49 1av4 n LEU 352 Ca 0.07 0.16 -0.15 0.00 -1.11 0.00 0.00 56.01 54.99 1av4 n LEU 352 Cb 0.49 -1.08 -0.05 0.00 0.53 0.00 0.00 43.42 43.31 1av4 n LEU 352 CO 0.54 0.85 0.48 0.00 -1.11 0.00 0.00 177.39 178.15 1av4 s ALA 353 N -2.55 -1.75 -0.28 1.96 0.00 -1.12 -4.97 121.76 113.05 1av4 s ALA 353 Ca -0.25 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 52.58 1av4 s ALA 353 Cb 0.07 0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.48 1av4 s ALA 353 CO 0.74 -0.49 0.96 0.21 0.00 0.00 0.00 175.76 177.17 1av4 s LYS 354 N -1.98 0.59 -0.28 0.00 2.20 -1.26 -1.36 119.74 117.65 1av4 s LYS 354 Ca -0.06 0.69 -0.20 0.00 -0.36 0.00 0.00 55.97 56.05 1av4 s LYS 354 Cb -0.00 0.29 0.09 0.00 -1.51 0.00 0.00 37.83 36.69 1av4 s LYS 354 CO 0.02 -0.07 0.77 -1.58 -0.36 0.00 0.00 175.35 174.13 1av4 s HIS 355 N 0.25 -0.86 -0.34 4.03 2.46 0.04 -5.00 115.29 115.86 1av4 s HIS 355 Ca 0.02 1.85 -0.02 0.00 0.47 0.00 0.00 55.06 57.38 1av4 s HIS 355 Cb -0.05 0.46 0.07 0.00 -0.13 0.00 0.00 32.58 32.93 1av4 s HIS 355 CO -0.04 -0.42 0.08 -1.12 -2.47 0.00 0.00 174.74 170.76 1av4 s SER 356 N 1.08 5.05 -0.17 9.88 0.01 -1.26 -0.22 113.70 128.06 1av4 s SER 356 Ca -0.06 -1.53 -0.19 0.00 1.31 0.00 0.00 55.95 55.48 1av4 s SER 356 Cb -0.05 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1av4 s SER 356 CO -0.12 -0.36 0.53 -0.62 0.41 0.00 0.00 173.24 173.08 1av4 s ASP 357 N 1.44 6.64 0.02 2.44 2.15 -0.47 -4.97 116.67 123.91 1av4 s ASP 357 Ca 0.00 0.76 -0.25 0.00 0.43 0.00 0.00 52.55 53.49 1av4 s ASP 357 Cb -0.21 -2.30 -0.18 0.00 -0.30 0.00 0.00 42.92 39.93 1av4 s ASP 357 CO -0.02 -0.13 1.38 0.25 -0.17 0.00 0.00 175.17 176.48 1av4 h LEU 358 N 7.49 -0.15 -0.54 -1.34 5.85 -1.96 -1.52 115.31 123.15 1av4 h LEU 358 Ca -0.36 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1av4 h LEU 358 Cb 1.16 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1av4 h LEU 358 CO 0.75 0.16 0.29 -0.50 -0.34 0.00 0.00 178.44 178.81 1av4 h TRP 359 N -0.49 0.74 0.00 1.25 6.55 -1.98 -3.15 115.95 118.87 1av4 h TRP 359 Ca -0.02 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.80 1av4 h TRP 359 Cb 0.39 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 1av4 h TRP 359 CO 0.02 0.54 -0.93 -1.13 -1.05 0.00 0.00 178.44 175.90 1av4 n SER 360 N -4.62 0.65 -0.01 -3.49 3.41 -1.25 -4.96 113.62 103.35 1av4 n SER 360 Ca 0.03 -0.02 -0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1av4 n SER 360 Cb 0.08 0.58 -0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1av4 n SER 360 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1av4 n GLY 361 N 1.33 0.33 3.72 5.00 0.00 -0.57 -5.00 105.19 110.00 1av4 n GLY 361 Ca 0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1av4 n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1av4 s ILE 362 N -1.65 5.23 -0.24 -0.61 1.01 -1.23 -4.91 121.20 118.80 1av4 s ILE 362 Ca 0.00 0.82 -0.06 0.00 0.00 0.00 0.00 60.65 61.41 1av4 s ILE 362 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1av4 s ILE 362 CO 0.00 0.34 0.03 0.20 0.00 0.00 0.00 174.94 175.51 1av4 s ASN 363 N 0.59 4.82 -0.06 3.58 0.01 -1.26 -1.37 114.94 121.25 1av4 s ASN 363 Ca 0.23 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 52.15 1av4 s ASN 363 Cb -0.14 -1.85 -0.00 0.00 0.41 0.00 0.00 41.25 39.66 1av4 s ASN 363 CO 0.08 -0.02 -0.20 -0.47 -1.51 0.00 0.00 177.10 174.98 1av4 s TYR 364 N 1.53 2.04 -0.10 2.20 5.04 0.69 -5.00 117.35 123.74 1av4 s TYR 364 Ca 0.06 -0.69 -0.07 0.00 -2.44 0.00 0.00 57.07 53.92 1av4 s TYR 364 Cb -0.15 -1.38 0.04 0.00 0.35 0.00 0.00 41.96 40.82 1av4 s TYR 364 CO 0.01 -0.26 0.25 0.99 -1.34 0.00 0.00 175.55 175.20 1av4 s THR 365 N 0.19 -0.02 0.02 4.34 2.01 -1.26 -0.78 115.64 120.13 1av4 s THR 365 Ca -0.10 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1av4 s THR 365 Cb -0.14 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 1av4 s THR 365 CO 0.05 0.03 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.81 1av4 s ARG 366 N 0.71 0.50 0.17 4.92 1.81 -0.46 -4.84 118.95 121.77 1av4 s ARG 366 Ca -0.05 -0.45 -0.06 0.00 -1.72 0.00 0.00 55.73 53.46 1av4 s ARG 366 Cb -0.06 -0.40 -0.06 0.00 -0.45 0.00 0.00 34.95 33.98 1av4 s ARG 366 CO -0.04 0.10 0.42 1.03 -0.68 0.00 0.00 175.30 176.13 1av4 s ARG 367 N -0.75 3.66 0.28 3.54 0.52 -1.26 0.36 118.95 125.29 1av4 s ARG 367 Ca -0.03 -0.01 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 1av4 s ARG 367 Cb -0.06 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 1av4 s ARG 367 CO 0.00 0.42 0.39 1.21 0.02 0.00 0.00 175.30 177.34 1av4 s ASN 368 N -2.46 6.09 0.01 0.23 3.84 0.23 -4.44 114.94 118.44 1av4 s ASN 368 Ca 0.43 -0.07 -0.14 0.00 0.21 0.00 0.00 52.86 53.28 1av4 s ASN 368 Cb -0.12 -1.55 0.02 0.00 -0.55 0.00 0.00 41.25 39.05 1av4 s ASN 368 CO 0.24 -0.22 0.30 -0.13 -2.79 0.00 0.00 177.10 174.50 1av4 s ARG 369 N -4.05 0.72 0.03 0.43 0.52 -1.26 -1.30 118.95 114.05 1av4 s ARG 369 Ca 0.38 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.30 1av4 s ARG 369 Cb -0.09 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 1av4 s ARG 369 CO 0.29 -0.21 -0.09 -0.98 0.02 0.00 0.00 175.30 174.33 1av4 s ARG 370 N -1.82 0.63 -0.20 3.54 1.70 -0.19 -2.74 118.95 119.86 1av4 s ARG 370 Ca -0.10 -0.64 -0.10 0.00 -0.47 0.00 0.00 55.73 54.41 1av4 s ARG 370 Cb -0.03 -0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 33.77 1av4 s ARG 370 CO 0.01 0.12 0.15 1.41 -1.08 0.00 0.00 175.30 175.91 1av4 s MET 371 N -1.15 4.18 -0.14 3.89 -2.45 0.31 -0.44 119.30 123.50 1av4 s MET 371 Ca -0.04 -0.20 -0.01 0.00 -1.25 0.00 0.00 55.69 54.19 1av4 s MET 371 Cb -0.08 -3.44 -0.02 0.00 1.25 0.00 0.00 34.83 32.55 1av4 s MET 371 CO 0.01 0.26 -0.10 0.08 1.05 0.00 0.00 175.02 176.32 1av4 s VAL 372 N 0.47 3.33 -0.18 10.11 1.01 0.19 -2.04 120.40 133.28 1av4 s VAL 372 Ca 0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1av4 s VAL 372 Cb -0.11 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.90 1av4 s VAL 372 CO -0.01 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 174.95 1av4 s ILE 373 N 0.32 1.00 0.12 2.22 1.01 -0.84 -1.84 121.20 123.19 1av4 s ILE 373 Ca -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1av4 s ILE 373 Cb -0.15 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1av4 s ILE 373 CO 0.05 0.01 0.08 -0.94 0.00 0.00 0.00 174.94 174.14 1av4 s SER 374 N 1.66 0.29 -0.02 3.58 1.04 -0.66 -1.61 113.70 117.99 1av4 s SER 374 Ca -0.01 -1.07 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 1av4 s SER 374 Cb -0.16 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1av4 s SER 374 CO -0.07 -0.73 0.51 0.72 0.98 0.00 0.00 173.24 174.65 1av4 s PHE 375 N -4.00 -0.43 0.03 5.02 -0.71 -1.04 -0.76 117.98 116.10 1av4 s PHE 375 Ca 0.18 0.67 0.08 0.00 -1.04 0.00 0.00 56.93 56.81 1av4 s PHE 375 Cb 0.07 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.13 1av4 s PHE 375 CO -0.02 -0.54 -0.22 0.12 -1.34 0.00 0.00 175.22 173.22 1av4 s PHE 376 N -1.54 2.46 0.07 3.49 2.19 -1.26 -1.10 117.98 122.29 1av4 s PHE 376 Ca -0.11 -0.33 0.05 0.00 0.33 0.00 0.00 56.93 56.88 1av4 s PHE 376 Cb -0.02 -1.45 -0.03 0.00 -1.31 0.00 0.00 43.02 40.21 1av4 s PHE 376 CO 0.05 0.18 -0.13 -0.08 1.83 0.00 0.00 175.22 177.07 1av4 s THR 377 N -0.84 1.04 -0.13 0.12 -1.32 -0.37 -1.15 115.64 112.99 1av4 s THR 377 Ca 0.13 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 1av4 s THR 377 Cb -0.10 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1av4 s THR 377 CO 0.03 -0.29 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.14 1av4 s THR 378 N -1.46 1.35 -0.46 5.08 2.01 -0.96 -1.01 115.64 120.20 1av4 s THR 378 Ca -0.01 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1av4 s THR 378 Cb -0.09 -1.30 0.13 0.00 0.01 0.00 0.00 72.50 71.26 1av4 s THR 378 CO 0.02 0.42 0.24 -0.63 -0.69 0.00 0.00 174.62 173.98 1av4 s ILE 379 N 1.52 1.77 0.00 1.82 1.01 -1.26 -4.80 121.20 121.27 1av4 s ILE 379 Ca 0.04 -2.75 0.00 0.00 0.00 0.00 0.00 60.65 57.94 1av4 s ILE 379 Cb -0.13 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1av4 s ILE 379 CO -0.09 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.61 1av4 n GLY 380 N 3.46 2.24 2.10 6.18 0.00 -1.26 -4.81 105.19 113.11 1av4 n GLY 380 Ca 0.07 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1av4 n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1av4 n ASN 381 N 9.67 6.17 0.00 1.61 6.94 -1.26 -4.99 115.26 133.40 1av4 n ASN 381 Ca 0.00 -2.96 0.00 0.00 -0.02 0.00 0.00 54.58 51.60 1av4 n ASN 381 Cb 0.00 -1.19 0.00 0.00 -2.36 0.00 0.00 39.78 36.23 1av4 n ASN 381 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1av4 n ASP 383 N 1.01 0.00 -4.17 0.53 9.92 -1.18 -0.56 116.55 122.10 1av4 n ASP 383 Ca 0.36 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.35 1av4 n ASP 383 Cb 0.61 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.93 1av4 n ASP 383 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1av4 s TYR 384 N 0.00 1.93 -0.18 1.24 2.02 -0.18 -1.08 117.35 121.11 1av4 s TYR 384 Ca 0.00 -0.57 -0.07 0.00 -0.37 0.00 0.00 57.07 56.06 1av4 s TYR 384 Cb 0.00 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1av4 s TYR 384 CO 0.00 -0.18 0.05 0.20 -1.57 0.00 0.00 175.55 174.04 1av4 s GLY 385 N -0.01 1.87 -0.23 0.71 0.00 0.15 -1.24 107.32 108.57 1av4 s GLY 385 Ca -0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 43.85 1av4 s GLY 385 CO 0.03 0.06 0.03 -1.36 0.00 0.00 0.00 173.10 171.85 1av4 s PHE 386 N 0.42 3.04 -0.07 1.90 0.40 -0.26 -0.16 117.98 123.25 1av4 s PHE 386 Ca 0.02 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.78 1av4 s PHE 386 Cb -0.13 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.23 1av4 s PHE 386 CO 0.01 -0.41 -0.14 0.71 0.70 0.00 0.00 175.22 176.09 1av4 s TYR 387 N 1.51 1.60 -0.13 0.36 1.51 0.21 -2.49 117.35 119.93 1av4 s TYR 387 Ca 0.06 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1av4 s TYR 387 Cb -0.15 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1av4 s TYR 387 CO 0.01 -0.28 -0.15 -1.58 -1.11 0.00 0.00 175.55 172.45 1av4 s TRP 388 N 0.55 2.78 0.02 2.71 0.52 -0.63 -0.56 118.94 124.32 1av4 s TRP 388 Ca -0.14 -0.71 0.09 0.00 0.02 0.00 0.00 56.10 55.36 1av4 s TRP 388 Cb -0.15 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1av4 s TRP 388 CO 0.04 -0.25 -0.26 0.71 0.02 0.00 0.00 176.95 177.21 1av4 s TYR 389 N 0.36 2.33 -0.11 -1.98 2.02 0.62 -1.98 117.35 118.61 1av4 s TYR 389 Ca -0.12 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1av4 s TYR 389 Cb -0.16 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1av4 s TYR 389 CO 0.06 0.06 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.49 1av4 s LEU 390 N -1.00 1.44 0.21 -1.29 1.43 -0.87 -1.61 118.68 116.99 1av4 s LEU 390 Ca 0.11 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1av4 s LEU 390 Cb -0.10 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1av4 s LEU 390 CO 0.01 -0.06 0.25 -0.31 0.23 0.00 0.00 176.35 176.47 1av4 s TYR 391 N 1.35 3.29 0.34 0.29 2.02 -0.41 -0.53 117.35 123.70 1av4 s TYR 391 Ca -0.01 -0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.73 1av4 s TYR 391 Cb -0.14 -1.53 0.71 0.00 -0.40 0.00 0.00 41.96 40.61 1av4 s TYR 391 CO -0.05 0.50 1.91 -0.07 -1.57 0.00 0.00 175.55 176.26 1av4 h LEU 392 N 1.73 0.73 0.00 -1.29 3.38 -1.84 -2.48 115.31 115.54 1av4 h LEU 392 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1av4 h LEU 392 Cb 1.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1av4 h LEU 392 CO 0.63 0.43 0.00 -0.90 0.09 0.00 0.00 178.44 178.69 1av4 n ASP 393 N -4.52 0.00 0.00 -0.43 5.75 -1.26 -4.79 116.55 111.31 1av4 n ASP 393 Ca 0.14 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1av4 n ASP 393 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1av4 n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1av4 n GLY 394 N 0.49 0.51 3.75 6.12 0.00 -0.93 -4.78 105.19 110.35 1av4 n GLY 394 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1av4 n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1av4 s THR 395 N -2.23 3.75 -0.08 2.61 2.01 -1.26 -4.53 115.64 115.93 1av4 s THR 395 Ca 0.00 1.63 0.05 0.00 0.31 0.00 0.00 61.69 63.67 1av4 s THR 395 Cb 0.00 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 1av4 s THR 395 CO 0.00 0.33 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.39 1av4 s ILE 396 N -0.68 2.12 0.00 1.82 1.01 -0.45 -1.29 121.20 123.74 1av4 s ILE 396 Ca 0.47 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1av4 s ILE 396 Cb -0.30 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1av4 s ILE 396 CO 0.37 0.56 0.01 -0.70 0.00 0.00 0.00 174.94 175.18 1av4 s GLU 397 N 0.06 0.16 0.01 2.79 2.12 -0.64 -0.34 118.70 122.87 1av4 s GLU 397 Ca -0.10 -0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.07 1av4 s GLU 397 Cb -0.16 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 1av4 s GLU 397 CO 0.06 -0.03 -0.25 0.12 -0.54 0.00 0.00 175.26 174.62 1av4 s PHE 398 N -0.64 2.35 -0.06 5.30 5.36 -0.53 -0.28 117.98 129.49 1av4 s PHE 398 Ca -0.07 -0.41 -0.02 0.00 -0.96 0.00 0.00 56.93 55.47 1av4 s PHE 398 Cb -0.04 -1.46 0.04 0.00 -0.34 0.00 0.00 43.02 41.22 1av4 s PHE 398 CO -0.00 0.06 0.12 -2.00 -1.46 0.00 0.00 175.22 171.93 1av4 s GLU 399 N -0.93 0.06 -0.20 10.12 2.12 0.27 -2.43 118.70 127.71 1av4 s GLU 399 Ca 0.11 0.35 -0.07 0.00 0.36 0.00 0.00 54.97 55.72 1av4 s GLU 399 Cb -0.10 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 1av4 s GLU 399 CO 0.01 -0.18 0.05 0.00 -0.54 0.00 0.00 175.26 174.60 1av4 s ALA 400 N 1.26 3.28 -0.33 6.30 0.00 0.07 -0.62 121.76 131.73 1av4 s ALA 400 Ca -0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 1av4 s ALA 400 Cb -0.12 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.12 1av4 s ALA 400 CO -0.05 -0.00 0.08 0.15 0.00 0.00 0.00 175.76 175.93 1av4 s LYS 401 N 0.72 2.62 -0.27 0.00 1.02 0.77 -2.67 119.74 121.93 1av4 s LYS 401 Ca 0.03 -1.17 -0.13 0.00 0.02 0.00 0.00 55.97 54.72 1av4 s LYS 401 Cb -0.13 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 1av4 s LYS 401 CO 0.02 -0.64 0.29 0.00 -0.92 0.00 0.00 175.35 174.10 1av4 s ALA 402 N 1.38 3.55 0.00 5.17 0.00 -0.41 0.33 121.76 131.78 1av4 s ALA 402 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1av4 s ALA 402 Cb -0.19 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1av4 s ALA 402 CO 0.02 -0.56 0.00 -2.37 0.00 0.00 0.00 175.76 172.85 1av4 n THR 403 N 4.98 0.00 -0.43 0.00 5.66 -0.24 -2.36 114.28 121.90 1av4 n THR 403 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1av4 n THR 403 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1av4 n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1av4 n GLY 404 N 0.00 -0.62 3.46 1.09 0.00 -1.26 -3.08 105.19 104.78 1av4 n GLY 404 Ca 0.00 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1av4 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1av4 s VAL 405 N 0.00 3.29 0.39 1.61 1.01 0.28 -0.99 120.40 125.98 1av4 s VAL 405 Ca 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 1av4 s VAL 405 Cb 0.00 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 1av4 s VAL 405 CO 0.00 0.55 1.14 0.54 0.00 0.00 0.00 175.10 177.34 1av4 s VAL 406 N -0.16 3.28 0.04 2.92 0.11 -1.26 -4.71 120.40 120.61 1av4 s VAL 406 Ca 0.00 1.08 -0.31 0.00 -2.93 0.00 0.00 61.98 59.83 1av4 s VAL 406 Cb -0.13 -3.61 -0.06 0.00 -1.53 0.00 0.00 36.38 31.05 1av4 s VAL 406 CO 0.03 0.11 1.39 0.12 -3.33 0.00 0.00 175.10 173.42 1av4 s PHE 407 N -1.42 2.99 0.37 1.54 5.36 -1.26 -5.00 117.98 120.56 1av4 s PHE 407 Ca 0.56 0.88 0.07 0.00 -0.96 0.00 0.00 56.93 57.48 1av4 s PHE 407 Cb -0.29 -3.66 -0.02 0.00 -0.34 0.00 0.00 43.02 38.71 1av4 s PHE 407 CO 0.37 -2.38 0.39 0.95 -1.46 0.00 0.00 175.22 173.08 1av4 s THR 408 N 1.94 3.27 0.04 0.12 -4.23 -1.26 -3.99 115.64 111.54 1av4 s THR 408 Ca 0.64 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1av4 s THR 408 Cb -0.33 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1av4 s THR 408 CO 0.28 -0.09 0.07 -1.54 -0.54 0.00 0.00 174.62 172.80 1av4 n SER 409 N -1.54 -0.20 -4.89 3.99 3.41 -0.51 -4.91 113.62 108.98 1av4 n SER 409 Ca 0.01 -1.19 -0.34 0.00 -0.26 0.00 0.00 58.87 57.10 1av4 n SER 409 Cb 0.60 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.85 1av4 n SER 409 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1av4 s ALA 410 N -1.40 3.83 -0.31 7.33 0.00 -1.26 -1.01 121.76 128.95 1av4 s ALA 410 Ca 0.02 -0.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 1av4 s ALA 410 Cb -0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 1av4 s ALA 410 CO 0.02 0.65 0.45 0.12 0.00 0.00 0.00 175.76 177.00 1av4 s PHE 411 N -1.41 3.22 0.43 0.00 5.36 -0.44 -4.36 117.98 120.78 1av4 s PHE 411 Ca 0.32 0.30 -0.26 0.00 -0.96 0.00 0.00 56.93 56.33 1av4 s PHE 411 Cb -0.13 -2.75 -0.09 0.00 -0.34 0.00 0.00 43.02 39.72 1av4 s PHE 411 CO 0.19 -0.38 1.42 -2.14 -1.46 0.00 0.00 175.22 172.85 1av4 s PRO 412 N 2.23 3.80 0.23 10.12 0.02 -1.26 -4.74 135.00 145.40 1av4 s PRO 412 Ca 0.17 2.41 -0.06 0.00 0.02 0.00 0.00 61.00 63.54 1av4 s PRO 412 Cb -0.16 -2.73 0.37 0.00 0.02 0.00 0.00 34.50 32.01 1av4 s PRO 412 CO 0.11 -0.72 1.79 0.93 -0.33 0.00 0.00 177.00 178.78 1av4 h GLU 413 N 2.49 0.65 0.00 5.54 5.08 -1.99 -0.51 114.58 125.85 1av4 h GLU 413 Ca -0.51 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1av4 h GLU 413 Cb 1.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1av4 h GLU 413 CO 0.62 0.43 0.00 0.78 -1.00 0.00 0.00 179.01 179.84 1av4 h GLY 414 N 0.67 0.00 0.00 -3.84 0.00 -2.05 -3.49 103.07 94.36 1av4 h GLY 414 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1av4 h GLY 414 CO -0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.88 1av4 n GLY 415 N 0.17 0.67 3.41 4.60 0.00 -0.20 -5.09 105.19 108.74 1av4 n GLY 415 Ca 0.02 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 1av4 n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1av4 s SER 416 N 0.00 -0.48 0.00 1.61 0.15 -1.26 -4.69 113.70 109.03 1av4 s SER 416 Ca 0.00 0.61 0.25 0.00 0.70 0.00 0.00 55.95 57.51 1av4 s SER 416 Cb 0.00 0.62 0.46 0.00 -1.71 0.00 0.00 66.02 65.39 1av4 s SER 416 CO 0.00 -0.44 1.39 0.47 1.20 0.00 0.00 173.24 175.86 1av4 n ASP 417 N 1.54 1.86 -0.15 5.45 8.00 -1.26 -4.25 116.55 127.73 1av4 n ASP 417 Ca -0.18 -1.45 0.02 0.00 0.71 0.00 0.00 54.79 53.89 1av4 n ASP 417 Cb 0.56 0.18 0.03 0.00 -0.02 0.00 0.00 41.12 41.87 1av4 n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1av4 n ASN 418 N 0.15 0.89 -3.84 -2.24 4.13 -1.26 -5.05 115.26 108.03 1av4 n ASN 418 Ca 0.13 -1.90 -0.12 0.00 1.68 0.00 0.00 54.58 54.37 1av4 n ASN 418 Cb 0.44 -0.14 -0.12 0.00 -1.54 0.00 0.00 39.78 38.42 1av4 n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1av4 s ILE 419 N -0.77 0.02 0.06 2.41 1.01 -1.26 -1.24 121.20 121.43 1av4 s ILE 419 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1av4 s ILE 419 Cb 0.05 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 1av4 s ILE 419 CO 0.01 -0.10 0.09 -0.44 0.00 0.00 0.00 174.94 174.49 1av4 s SER 420 N -0.28 5.59 -0.17 3.58 0.01 -0.22 -4.64 113.70 117.58 1av4 s SER 420 Ca -0.04 0.03 -0.16 0.00 1.31 0.00 0.00 55.95 57.10 1av4 s SER 420 Cb -0.03 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 1av4 s SER 420 CO 0.00 0.19 0.39 -1.58 0.41 0.00 0.00 173.24 172.65 1av4 s GLN 421 N -2.28 4.24 -0.08 12.44 0.74 -1.26 -0.59 119.66 132.87 1av4 s GLN 421 Ca 0.28 0.23 0.13 0.00 0.05 0.00 0.00 55.36 56.05 1av4 s GLN 421 Cb -0.12 -3.48 -0.19 0.00 1.10 0.00 0.00 33.01 30.32 1av4 s GLN 421 CO 0.21 0.09 0.16 1.28 -0.55 0.00 0.00 175.29 176.48 1av4 n LEU 422 N 4.02 0.00 -3.83 3.68 4.77 -0.47 -4.61 117.00 120.57 1av4 n LEU 422 Ca -0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1av4 n LEU 422 Cb 0.51 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1av4 n LEU 422 CO 0.41 0.18 0.55 0.00 -1.33 0.00 0.00 177.39 177.20 1av4 s ALA 423 N -2.62 -1.34 -0.07 -1.18 0.00 -1.21 -4.86 121.76 110.48 1av4 s ALA 423 Ca -0.06 -0.19 -0.33 0.00 0.00 0.00 0.00 51.96 51.38 1av4 s ALA 423 Cb 0.06 0.79 -0.11 0.00 0.00 0.00 0.00 23.12 23.86 1av4 s ALA 423 CO 0.57 -1.04 1.94 -2.30 0.00 0.00 0.00 175.76 174.93 1av4 n PRO 424 N -0.47 2.32 -0.11 0.00 -0.02 -1.26 -1.21 135.00 134.25 1av4 n PRO 424 Ca -0.05 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1av4 n PRO 424 Cb 0.59 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1av4 n PRO 424 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1av4 n GLY 425 N 4.60 2.35 3.67 -1.23 0.00 -1.26 -4.80 105.19 108.52 1av4 n GLY 425 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1av4 n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1av4 s LEU 426 N 0.00 4.06 0.40 0.99 2.96 -0.35 -1.33 118.68 125.41 1av4 s LEU 426 Ca 0.00 0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.11 1av4 s LEU 426 Cb 0.00 -2.07 -0.07 0.00 0.50 0.00 0.00 46.19 44.55 1av4 s LEU 426 CO 0.00 0.11 0.01 -0.83 -1.32 0.00 0.00 176.35 174.32 1av4 s GLY 427 N 0.75 2.43 -0.18 7.98 0.00 -0.18 -1.37 107.32 116.75 1av4 s GLY 427 Ca 0.07 -2.24 -0.04 0.00 0.00 0.00 0.00 44.72 42.50 1av4 s GLY 427 CO 0.02 -2.07 0.18 0.00 0.00 0.00 0.00 173.10 171.23 1av4 s ALA 428 N -2.68 -0.05 0.53 3.20 0.00 0.24 -1.42 121.76 121.58 1av4 s ALA 428 Ca 0.35 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.21 1av4 s ALA 428 Cb 0.08 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.96 1av4 s ALA 428 CO 0.18 -1.13 1.36 -2.14 0.00 0.00 0.00 175.76 174.03 1av4 s PRO 429 N 2.27 3.27 0.42 0.00 0.02 -1.26 -1.05 135.00 138.66 1av4 s PRO 429 Ca 0.05 2.24 -0.25 0.00 0.02 0.00 0.00 61.00 63.06 1av4 s PRO 429 Cb -0.15 -2.33 -0.08 0.00 0.02 0.00 0.00 34.50 31.95 1av4 s PRO 429 CO -0.11 -1.09 1.17 -0.06 -0.33 0.00 0.00 177.00 176.58 1av4 s PHE 430 N -1.30 3.00 0.31 6.54 0.08 -0.37 -4.79 117.98 121.45 1av4 s PHE 430 Ca 0.69 1.54 -0.20 0.00 0.12 0.00 0.00 56.93 59.09 1av4 s PHE 430 Cb -0.40 -3.40 0.03 0.00 -0.57 0.00 0.00 43.02 38.68 1av4 s PHE 430 CO 0.48 -1.39 0.75 -3.38 -0.10 0.00 0.00 175.22 171.58 1av4 s HIS 431 N -1.45 -0.09 0.09 0.36 -3.43 -0.95 0.93 115.29 110.74 1av4 s HIS 431 Ca 0.59 -0.43 0.06 0.00 -0.80 0.00 0.00 55.06 54.48 1av4 s HIS 431 Cb -0.30 0.75 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 1av4 s HIS 431 CO 0.38 -1.32 -0.15 -0.65 -2.00 0.00 0.00 174.74 171.00 1av4 s GLN 432 N -3.40 0.91 -0.33 -0.38 -0.21 -0.91 -0.18 119.66 115.16 1av4 s GLN 432 Ca 0.12 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.47 1av4 s GLN 432 Cb -0.06 -0.89 0.09 0.00 1.00 0.00 0.00 33.01 33.15 1av4 s GLN 432 CO 0.08 0.19 0.03 -1.01 -2.12 0.00 0.00 175.29 172.46 1av4 s HIS 433 N -1.54 3.62 -0.15 0.91 3.76 -0.25 -3.22 115.29 118.42 1av4 s HIS 433 Ca 0.02 -2.75 -0.04 0.00 -0.15 0.00 0.00 55.06 52.14 1av4 s HIS 433 Cb -0.08 -2.70 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 1av4 s HIS 433 CO 0.03 -0.93 -0.03 0.42 -0.85 0.00 0.00 174.74 173.38 1av4 s ILE 434 N 0.98 3.99 0.22 0.60 1.01 -0.16 -1.13 121.20 126.71 1av4 s ILE 434 Ca 0.06 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1av4 s ILE 434 Cb -0.20 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1av4 s ILE 434 CO -0.07 0.50 -0.01 -0.36 0.00 0.00 0.00 174.94 175.00 1av4 s PHE 435 N 0.31 2.75 -0.19 3.97 0.40 0.93 -1.09 117.98 125.05 1av4 s PHE 435 Ca -0.03 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1av4 s PHE 435 Cb -0.14 -1.28 0.05 0.00 0.51 0.00 0.00 43.02 42.16 1av4 s PHE 435 CO 0.03 0.56 -0.03 0.45 0.70 0.00 0.00 175.22 176.92 1av4 s SER 436 N -3.26 3.13 -0.17 1.36 0.15 -0.47 -1.59 113.70 112.86 1av4 s SER 436 Ca 0.29 -0.84 -0.15 0.00 0.70 0.00 0.00 55.95 55.95 1av4 s SER 436 Cb -0.08 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.26 1av4 s SER 436 CO 0.19 -0.22 0.35 0.00 1.20 0.00 0.00 173.24 174.75 1av4 s ALA 437 N 1.61 3.56 -0.37 5.45 0.00 0.21 -0.71 121.76 131.51 1av4 s ALA 437 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1av4 s ALA 437 Cb -0.17 -2.50 0.05 0.00 0.00 0.00 0.00 23.12 20.51 1av4 s ALA 437 CO -0.07 -0.03 0.17 0.50 0.00 0.00 0.00 175.76 176.33 1av4 s ARG 438 N 0.72 2.61 -0.47 0.00 3.52 0.21 -0.83 118.95 124.71 1av4 s ARG 438 Ca 0.19 -1.29 -0.11 0.00 -0.13 0.00 0.00 55.73 54.39 1av4 s ARG 438 Cb -0.14 -3.60 0.11 0.00 -1.56 0.00 0.00 34.95 29.76 1av4 s ARG 438 CO 0.06 -0.78 0.36 -0.51 -0.81 0.00 0.00 175.30 173.62 1av4 s LEU 439 N 1.42 5.68 -0.73 -0.88 1.02 0.15 -2.53 118.68 122.80 1av4 s LEU 439 Ca 0.01 -1.78 -0.27 0.00 0.02 0.00 0.00 54.13 52.11 1av4 s LEU 439 Cb -0.21 -2.05 0.03 0.00 0.02 0.00 0.00 46.19 43.98 1av4 s LEU 439 CO 0.03 -0.69 1.26 -0.62 0.02 0.00 0.00 176.35 176.34 1av4 s ASP 440 N 2.73 6.16 0.27 2.29 2.15 0.46 -0.49 116.67 130.25 1av4 s ASP 440 Ca 0.05 -0.48 -0.29 0.00 0.43 0.00 0.00 52.55 52.25 1av4 s ASP 440 Cb -0.26 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 39.71 1av4 s ASP 440 CO 0.01 -1.81 1.13 -0.04 -0.17 0.00 0.00 175.17 174.29 1av4 s MET 441 N 5.62 4.60 -0.36 4.34 -1.94 -1.01 -0.62 119.30 129.92 1av4 s MET 441 Ca 0.34 1.84 0.13 0.00 -1.71 0.00 0.00 55.69 56.30 1av4 s MET 441 Cb -0.09 -3.19 0.40 0.00 2.01 0.00 0.00 34.83 33.97 1av4 s MET 441 CO 0.15 0.14 1.00 0.00 -0.01 0.00 0.00 175.02 176.30 1av4 n ALA 442 N 1.37 2.18 -1.73 3.03 0.00 -0.91 -4.58 120.51 119.86 1av4 n ALA 442 Ca -0.00 -2.63 -0.35 0.00 0.00 0.00 0.00 53.44 50.46 1av4 n ALA 442 Cb 0.45 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1av4 n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1av4 s ILE 443 N -1.90 3.13 -1.69 0.00 -1.09 -1.16 -2.33 121.20 116.17 1av4 s ILE 443 Ca 0.28 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1av4 s ILE 443 Cb 0.40 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1av4 s ILE 443 CO -0.02 -0.34 0.00 0.47 -1.23 0.00 0.00 174.94 173.82 1av4 n ASP 444 N 15.06 -5.43 0.00 3.58 8.00 0.10 -4.53 116.55 133.34 1av4 n ASP 444 Ca 0.32 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1av4 n ASP 444 Cb 0.53 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1av4 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1av4 n GLY 445 N -0.88 1.14 0.30 0.44 0.00 -0.98 -4.89 105.19 100.31 1av4 n GLY 445 Ca -0.22 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 43.77 1av4 n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1av4 n PHE 446 N -1.39 0.05 -3.09 1.61 3.72 -1.26 -4.23 117.46 112.86 1av4 n PHE 446 Ca 0.00 -0.02 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 1av4 n PHE 446 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 1av4 n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1av4 s THR 447 N -1.95 5.17 0.36 4.37 2.01 -1.26 -2.61 115.64 121.74 1av4 s THR 447 Ca 0.38 -2.19 0.09 0.00 0.31 0.00 0.00 61.69 60.27 1av4 s THR 447 Cb 0.19 -4.69 -0.06 0.00 0.01 0.00 0.00 72.50 67.95 1av4 s THR 447 CO 0.31 -1.35 -0.02 0.20 -0.69 0.00 0.00 174.62 173.08 1av4 s ASN 448 N 2.83 3.96 0.08 3.53 0.01 -0.69 -4.19 114.94 120.47 1av4 s ASN 448 Ca 0.29 -1.16 -0.12 0.00 -0.71 0.00 0.00 52.86 51.16 1av4 s ASN 448 Cb -0.07 -0.43 0.01 0.00 0.41 0.00 0.00 41.25 41.18 1av4 s ASN 448 CO -0.08 -0.30 0.28 0.00 -1.51 0.00 0.00 177.10 175.49 1av4 s ARG 449 N -3.69 0.87 -0.10 -0.60 1.70 -0.26 -0.47 118.95 116.41 1av4 s ARG 449 Ca 0.34 -0.72 0.04 0.00 -0.47 0.00 0.00 55.73 54.92 1av4 s ARG 449 Cb 0.03 0.37 -0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1av4 s ARG 449 CO 0.18 -0.29 -0.23 0.08 -1.08 0.00 0.00 175.30 173.96 1av4 s VAL 450 N -3.31 2.16 0.00 4.99 1.01 -1.26 -1.45 120.40 122.54 1av4 s VAL 450 Ca 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1av4 s VAL 450 Cb 0.02 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1av4 s VAL 450 CO -0.08 0.56 -0.24 -1.61 0.00 0.00 0.00 175.10 173.73 1av4 s GLU 451 N 0.29 2.06 -0.30 2.72 2.02 0.10 -1.22 118.70 124.37 1av4 s GLU 451 Ca -0.17 -0.96 -0.10 0.00 0.02 0.00 0.00 54.97 53.76 1av4 s GLU 451 Cb -0.17 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 1av4 s GLU 451 CO 0.08 0.55 0.16 -2.00 0.02 0.00 0.00 175.26 174.07 1av4 s GLU 452 N -0.89 3.50 -0.25 1.61 2.12 -0.36 -0.20 118.70 124.22 1av4 s GLU 452 Ca 0.11 -0.61 -0.10 0.00 0.36 0.00 0.00 54.97 54.73 1av4 s GLU 452 Cb -0.10 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1av4 s GLU 452 CO 0.01 -0.35 0.14 -2.00 -0.54 0.00 0.00 175.26 172.52 1av4 s GLU 453 N 1.65 3.91 -0.02 4.30 2.12 -0.25 -2.22 118.70 128.19 1av4 s GLU 453 Ca 0.05 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.10 1av4 s GLU 453 Cb -0.17 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 1av4 s GLU 453 CO 0.07 -0.08 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.98 1av4 s ASP 454 N 1.42 3.37 0.31 -1.70 1.01 -0.61 -1.80 116.67 118.67 1av4 s ASP 454 Ca 0.07 -0.40 -0.28 0.00 0.71 0.00 0.00 52.55 52.65 1av4 s ASP 454 Cb -0.15 -0.49 -0.09 0.00 1.01 0.00 0.00 42.92 43.20 1av4 s ASP 454 CO 0.07 0.32 1.07 -0.69 0.21 0.00 0.00 175.17 176.15 1av4 s VAL 455 N -0.68 3.60 -0.09 -1.27 1.01 0.12 -0.66 120.40 122.44 1av4 s VAL 455 Ca 0.11 1.49 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1av4 s VAL 455 Cb -0.10 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1av4 s VAL 455 CO -0.00 0.26 -0.17 0.54 0.00 0.00 0.00 175.10 175.73 1av4 s VAL 456 N -1.31 1.57 0.12 2.92 0.11 -0.90 -4.83 120.40 118.08 1av4 s VAL 456 Ca 0.48 -0.72 -0.15 0.00 -2.93 0.00 0.00 61.98 58.66 1av4 s VAL 456 Cb -0.28 -1.39 -0.07 0.00 -1.53 0.00 0.00 36.38 33.10 1av4 s VAL 456 CO 0.36 0.45 0.54 -0.13 -3.33 0.00 0.00 175.10 173.00 1av4 s ARG 457 N 0.60 4.02 0.00 1.54 0.52 -1.26 -0.68 118.95 123.69 1av4 s ARG 457 Ca -0.15 0.53 0.04 0.00 -0.52 0.00 0.00 55.73 55.64 1av4 s ARG 457 Cb -0.16 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 1av4 s ARG 457 CO 0.05 0.53 -0.10 -0.65 0.02 0.00 0.00 175.30 175.15 1av4 s GLN 458 N -1.72 2.46 0.32 3.54 -0.21 -1.25 -4.93 119.66 117.88 1av4 s GLN 458 Ca 0.35 -0.76 -0.26 0.00 0.02 0.00 0.00 55.36 54.71 1av4 s GLN 458 Cb -0.16 -2.43 -0.10 0.00 1.00 0.00 0.00 33.01 31.32 1av4 s GLN 458 CO 0.19 0.60 0.93 0.95 -2.12 0.00 0.00 175.29 175.84 1av4 s THR 459 N -0.95 4.24 0.22 -0.19 -4.23 -1.26 -4.89 115.64 108.57 1av4 s THR 459 Ca 0.16 1.79 -0.30 0.00 -1.18 0.00 0.00 61.69 62.16 1av4 s THR 459 Cb -0.11 -3.99 -0.09 0.00 1.34 0.00 0.00 72.50 69.66 1av4 s THR 459 CO 0.06 0.12 1.18 -0.32 -0.54 0.00 0.00 174.62 175.13 1av4 s MET 460 N -2.10 4.52 0.00 3.99 1.75 -1.26 -4.88 119.30 121.32 1av4 s MET 460 Ca 0.50 1.88 0.00 0.00 -1.25 0.00 0.00 55.69 56.82 1av4 s MET 460 Cb -0.18 -3.22 0.00 0.00 2.84 0.00 0.00 34.83 34.27 1av4 s MET 460 CO 0.23 -0.03 0.00 0.41 -0.65 0.00 0.00 175.02 174.98 1av4 n GLY 461 N 1.88 -0.60 0.33 2.11 0.00 -1.26 -4.99 105.19 102.66 1av4 n GLY 461 Ca 0.03 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 1av4 n GLY 461 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1av4 h PRO 462 N 0.00 -0.69 -5.32 1.61 0.13 -1.91 -3.14 132.00 122.69 1av4 h PRO 462 Ca 0.00 0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.09 1av4 h PRO 462 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1av4 h PRO 462 CO 0.00 -0.46 0.24 0.20 -0.23 0.00 0.00 178.00 177.75 1av4 s GLY 463 N -2.17 -0.71 -0.79 1.56 0.00 -1.26 -4.07 107.32 99.88 1av4 s GLY 463 Ca -0.17 -1.29 -0.02 0.00 0.00 0.00 0.00 44.72 43.24 1av4 s GLY 463 CO 0.63 4.09 0.63 0.70 0.00 0.00 0.00 173.10 179.15 1av4 n ASN 464 N 18.05 -5.74 -3.75 1.64 3.02 -1.26 -4.99 115.26 122.23 1av4 n ASN 464 Ca 0.44 -0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 54.19 1av4 n ASN 464 Cb 0.45 -2.74 -0.12 0.00 -0.61 0.00 0.00 39.78 36.77 1av4 n ASN 464 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1av4 s GLU 465 N -4.29 0.28 0.00 3.52 0.41 -1.18 -4.80 118.70 112.63 1av4 s GLU 465 Ca 0.02 0.47 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 1av4 s GLU 465 Cb -0.00 0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.38 1av4 s GLU 465 CO 0.85 -0.10 0.36 0.54 -0.49 0.00 0.00 175.26 176.43 1av4 n ARG 466 N 3.54 0.22 -1.73 1.61 1.74 -1.26 -4.33 116.66 116.45 1av4 n ARG 466 Ca -0.18 -0.42 -0.07 0.00 -0.77 0.00 0.00 57.85 56.40 1av4 n ARG 466 Cb 0.56 -0.63 -0.01 0.00 -1.02 0.00 0.00 32.46 31.35 1av4 n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1av4 n GLY 467 N -0.06 0.44 0.02 -0.13 0.00 -1.26 -4.93 105.19 99.27 1av4 n GLY 467 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.41 1av4 n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1av4 n ASN 468 N 0.74 1.99 -4.76 1.61 0.23 -1.26 -4.93 115.26 108.88 1av4 n ASN 468 Ca -0.08 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.59 1av4 n ASN 468 Cb 0.42 1.45 0.02 0.00 -2.08 0.00 0.00 39.78 39.58 1av4 n ASN 468 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1av4 s ALA 469 N -2.80 2.93 -0.07 -2.53 0.00 -1.26 -5.05 121.76 112.98 1av4 s ALA 469 Ca -0.05 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.87 1av4 s ALA 469 Cb 0.08 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.75 1av4 s ALA 469 CO 0.54 -1.03 0.48 -0.59 0.00 0.00 0.00 175.76 175.16 1av4 s PHE 470 N -1.40 -0.44 0.00 0.00 -0.12 -1.26 -3.77 117.98 110.99 1av4 s PHE 470 Ca 0.67 0.84 0.00 0.00 -0.05 0.00 0.00 56.93 58.39 1av4 s PHE 470 Cb -0.35 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1av4 s PHE 470 CO 0.43 -0.43 0.00 0.45 -0.05 0.00 0.00 175.22 175.62 1av4 n SER 471 N 1.58 0.56 -3.68 1.98 2.88 0.14 -5.00 113.62 112.08 1av4 n SER 471 Ca -0.19 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.21 1av4 n SER 471 Cb 0.56 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.94 1av4 n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1av4 s ARG 472 N 1.56 0.70 0.12 -1.46 1.70 -1.26 -2.12 118.95 118.19 1av4 s ARG 472 Ca 0.00 0.46 0.11 0.00 -0.47 0.00 0.00 55.73 55.82 1av4 s ARG 472 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1av4 s ARG 472 CO 0.00 -0.14 -0.26 0.21 -1.08 0.00 0.00 175.30 174.03 1av4 s LYS 473 N -0.30 1.40 -0.09 3.89 2.20 0.16 -4.86 119.74 122.14 1av4 s LYS 473 Ca -0.05 -1.31 -0.02 0.00 -0.36 0.00 0.00 55.97 54.24 1av4 s LYS 473 Cb -0.03 -1.84 0.03 0.00 -1.51 0.00 0.00 37.83 34.48 1av4 s LYS 473 CO 0.03 0.44 0.01 1.03 -0.36 0.00 0.00 175.35 176.50 1av4 s ARG 474 N -1.97 0.58 -0.11 4.03 0.52 -1.26 -1.58 118.95 119.15 1av4 s ARG 474 Ca 0.13 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.37 1av4 s ARG 474 Cb -0.10 -1.15 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 1av4 s ARG 474 CO 0.05 -0.36 -0.09 0.95 0.02 0.00 0.00 175.30 175.87 1av4 s THR 475 N 1.97 3.45 0.11 0.02 -4.23 -0.94 -4.91 115.64 111.10 1av4 s THR 475 Ca 0.04 -0.54 -0.27 0.00 -1.18 0.00 0.00 61.69 59.75 1av4 s THR 475 Cb -0.13 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 1av4 s THR 475 CO -0.06 0.54 0.82 -0.69 -0.54 0.00 0.00 174.62 174.70 1av4 s VAL 476 N -0.03 4.53 -0.41 2.29 1.01 -1.26 -1.23 120.40 125.30 1av4 s VAL 476 Ca -0.01 1.78 -0.21 0.00 0.00 0.00 0.00 61.98 63.54 1av4 s VAL 476 Cb -0.14 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1av4 s VAL 476 CO 0.03 0.41 0.68 -0.76 0.00 0.00 0.00 175.10 175.47 1av4 s LEU 477 N -0.43 4.34 -0.17 3.92 1.43 -0.36 -4.94 118.68 122.48 1av4 s LEU 477 Ca 0.40 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 1av4 s LEU 477 Cb -0.22 -2.82 -0.23 0.00 0.03 0.00 0.00 46.19 42.95 1av4 s LEU 477 CO 0.26 -0.75 0.18 0.35 0.23 0.00 0.00 176.35 176.62 1av4 n THR 478 N 5.84 1.55 -4.25 5.49 -2.24 -1.26 -4.34 114.28 115.06 1av4 n THR 478 Ca -0.00 -0.72 -0.20 0.00 -2.27 0.00 0.00 64.05 60.85 1av4 n THR 478 Cb 0.48 -1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.45 1av4 n THR 478 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1av4 s ARG 479 N -2.54 1.05 0.37 -0.78 0.52 -1.26 -0.99 118.95 115.32 1av4 s ARG 479 Ca -0.19 -1.18 0.13 0.00 -0.52 0.00 0.00 55.73 53.97 1av4 s ARG 479 Cb 0.07 -1.10 0.93 0.00 0.52 0.00 0.00 34.95 35.37 1av4 s ARG 479 CO 0.75 0.24 1.83 0.93 0.02 0.00 0.00 175.30 179.07 1av4 h GLU 480 N 3.81 0.55 0.00 3.54 5.08 -1.51 -1.97 114.58 124.08 1av4 h GLU 480 Ca -0.42 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1av4 h GLU 480 Cb 1.19 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1av4 h GLU 480 CO 0.45 0.37 -0.05 0.66 -1.00 0.00 0.00 179.01 179.44 1av4 h SER 481 N 0.57 0.00 -0.43 1.42 4.64 -1.87 -1.48 113.55 116.40 1av4 h SER 481 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1av4 h SER 481 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1av4 h SER 481 CO -0.25 0.05 0.00 -1.84 -0.87 0.00 0.00 176.83 173.92 1av4 n GLU 482 N -3.36 2.90 -0.95 4.77 0.28 -0.75 -4.54 120.64 119.00 1av4 n GLU 482 Ca -0.02 -2.28 0.03 0.00 -0.16 0.00 0.00 57.16 54.73 1av4 n GLU 482 Cb 0.18 -1.41 0.37 0.00 1.43 0.00 0.00 31.44 32.02 1av4 n GLU 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1av4 n ALA 483 N 0.69 4.13 -3.50 -1.84 0.00 -0.56 -4.77 120.51 114.66 1av4 n ALA 483 Ca 0.16 -2.05 -0.42 0.00 0.00 0.00 0.00 53.44 51.13 1av4 n ALA 483 Cb 0.53 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 1av4 n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1av4 s VAL 484 N -2.83 4.51 0.14 0.00 1.01 -1.26 -2.64 120.40 119.32 1av4 s VAL 484 Ca 0.55 -1.93 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1av4 s VAL 484 Cb 0.42 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1av4 s VAL 484 CO 0.15 -0.83 0.13 -0.13 0.00 0.00 0.00 175.10 174.42 1av4 s ARG 485 N 1.13 2.93 0.11 2.72 1.81 0.68 -4.99 118.95 123.34 1av4 s ARG 485 Ca 0.08 -0.80 0.09 0.00 -1.72 0.00 0.00 55.73 53.37 1av4 s ARG 485 Cb -0.24 -2.69 -0.04 0.00 -0.45 0.00 0.00 34.95 31.53 1av4 s ARG 485 CO -0.01 0.51 -0.18 -1.21 -0.68 0.00 0.00 175.30 173.73 1av4 s GLU 486 N -2.90 1.82 0.98 3.54 2.02 -1.26 -1.79 118.70 121.10 1av4 s GLU 486 Ca 0.31 -1.16 -0.12 0.00 0.02 0.00 0.00 54.97 54.01 1av4 s GLU 486 Cb -0.11 -2.13 0.18 0.00 0.10 0.00 0.00 34.13 32.17 1av4 s GLU 486 CO 0.23 0.49 1.11 0.00 0.02 0.00 0.00 175.26 177.11 1av4 s ALA 487 N -1.13 1.21 -0.42 5.21 0.00 -1.26 -4.96 121.76 120.40 1av4 s ALA 487 Ca 0.18 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1av4 s ALA 487 Cb -0.11 -3.08 0.19 0.00 0.00 0.00 0.00 23.12 20.12 1av4 s ALA 487 CO 0.10 -2.68 0.76 0.34 0.00 0.00 0.00 175.76 174.28 1av4 s ASP 488 N -3.67 -1.24 0.54 0.00 -1.08 -1.26 -5.03 116.67 104.93 1av4 s ASP 488 Ca 0.65 -0.92 0.30 0.00 -0.52 0.00 0.00 52.55 52.06 1av4 s ASP 488 Cb -0.17 1.60 1.51 0.00 -1.46 0.00 0.00 42.92 44.39 1av4 s ASP 488 CO 0.56 -0.10 2.07 0.00 0.52 0.00 0.00 175.17 178.21 1av4 h ALA 489 N 6.00 1.16 -0.54 3.66 0.00 -1.94 -1.98 119.26 125.62 1av4 h ALA 489 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1av4 h ALA 489 Cb 1.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1av4 h ALA 489 CO 0.03 0.12 0.12 0.00 0.00 0.00 0.00 179.25 179.52 1av4 h ARG 490 N 0.00 0.87 -0.62 0.00 3.08 -1.99 -2.85 114.38 112.86 1av4 h ARG 490 Ca -0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1av4 h ARG 490 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1av4 h ARG 490 CO 0.01 0.83 0.00 0.25 -1.07 0.00 0.00 179.97 179.99 1av4 n THR 491 N -4.41 1.40 -2.11 2.04 -2.24 -1.13 -4.93 114.28 102.90 1av4 n THR 491 Ca 0.02 -0.92 -0.21 0.00 -2.27 0.00 0.00 64.05 60.67 1av4 n THR 491 Cb 0.24 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1av4 n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1av4 n GLY 492 N 1.02 0.40 3.66 3.38 0.00 -1.08 0.16 105.19 112.73 1av4 n GLY 492 Ca 0.21 -0.01 -0.51 0.00 0.00 0.00 0.00 46.02 45.70 1av4 n GLY 492 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1av4 n ARG 493 N -2.78 1.64 -4.34 1.61 0.63 -0.76 -4.72 116.66 107.94 1av4 n ARG 493 Ca -0.23 0.59 -0.19 0.00 -0.92 0.00 0.00 57.85 57.10 1av4 n ARG 493 Cb 0.68 -2.32 -0.09 0.00 0.45 0.00 0.00 32.46 31.18 1av4 n ARG 493 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1av4 s THR 494 N 2.06 0.30 -0.04 5.15 -4.23 -0.74 -4.72 115.64 113.42 1av4 s THR 494 Ca 0.88 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1av4 s THR 494 Cb -0.85 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 70.50 1av4 s THR 494 CO 0.50 0.00 -0.07 0.26 -0.54 0.00 0.00 174.62 174.76 1av4 s TRP 495 N -3.58 0.92 -0.17 3.99 0.51 -1.20 -1.09 118.94 118.31 1av4 s TRP 495 Ca 0.36 -0.26 -0.04 0.00 -2.12 0.00 0.00 56.10 54.03 1av4 s TRP 495 Cb 0.05 -0.71 -0.02 0.00 -0.81 0.00 0.00 33.47 31.97 1av4 s TRP 495 CO 0.18 -0.16 -0.03 0.42 -0.51 0.00 0.00 176.95 176.85 1av4 s ILE 496 N 0.55 3.83 -0.30 2.03 1.09 0.72 0.12 121.20 129.25 1av4 s ILE 496 Ca -0.09 -0.37 -0.09 0.00 -1.10 0.00 0.00 60.65 59.01 1av4 s ILE 496 Cb -0.12 -2.70 -0.01 0.00 -1.06 0.00 0.00 42.46 38.57 1av4 s ILE 496 CO 0.01 0.47 0.13 -0.63 -0.10 0.00 0.00 174.94 174.82 1av4 s ILE 497 N 0.64 4.52 0.33 2.92 1.09 -0.08 0.00 121.20 130.63 1av4 s ILE 497 Ca -0.02 -0.38 0.06 0.00 -1.10 0.00 0.00 60.65 59.21 1av4 s ILE 497 Cb -0.14 -3.27 -0.07 0.00 -1.06 0.00 0.00 42.46 37.92 1av4 s ILE 497 CO 0.02 0.12 -0.01 -0.94 -0.10 0.00 0.00 174.94 174.03 1av4 s SER 498 N 1.61 3.06 -0.31 3.58 1.04 -0.53 -1.06 113.70 121.09 1av4 s SER 498 Ca 0.05 -1.29 -0.01 0.00 0.48 0.00 0.00 55.95 55.18 1av4 s SER 498 Cb -0.17 -0.23 0.06 0.00 0.10 0.00 0.00 66.02 65.79 1av4 s SER 498 CO 0.06 -0.43 0.01 0.21 0.98 0.00 0.00 173.24 174.07 1av4 s ASN 499 N -3.55 4.86 0.59 7.02 3.84 -0.38 -1.10 114.94 126.22 1av4 s ASN 499 Ca 0.33 -1.44 0.36 0.00 0.21 0.00 0.00 52.86 52.33 1av4 s ASN 499 Cb 0.07 -1.70 1.85 0.00 -0.55 0.00 0.00 41.25 40.92 1av4 s ASN 499 CO 0.15 -0.29 2.18 -0.65 -2.79 0.00 0.00 177.10 175.70 1av4 h PRO 500 N 7.94 0.00 -0.63 0.43 0.11 -1.87 -2.95 132.00 135.04 1av4 h PRO 500 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1av4 h PRO 500 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1av4 h PRO 500 CO 0.54 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 1av4 n GLU 501 N -3.29 4.20 -3.59 1.05 1.02 -1.26 -4.79 120.64 113.98 1av4 n GLU 501 Ca -0.02 -3.01 -0.21 0.00 -0.02 0.00 0.00 57.16 53.90 1av4 n GLU 501 Cb 0.18 -2.04 -0.15 0.00 -0.02 0.00 0.00 31.44 29.40 1av4 n GLU 501 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1av4 s SER 502 N -0.86 1.55 0.23 1.62 0.15 -1.11 -5.11 113.70 110.15 1av4 s SER 502 Ca 0.53 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 57.07 1av4 s SER 502 Cb 0.37 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1av4 s SER 502 CO 0.22 -0.31 -0.05 -0.54 1.20 0.00 0.00 173.24 173.75 1av4 s LYS 503 N 2.24 2.17 0.61 5.44 1.02 -1.26 -0.92 119.74 129.04 1av4 s LYS 503 Ca 0.04 -1.36 -0.02 0.00 0.02 0.00 0.00 55.97 54.65 1av4 s LYS 503 Cb -0.15 -2.15 0.12 0.00 -0.52 0.00 0.00 37.83 35.14 1av4 s LYS 503 CO -0.09 0.40 0.83 0.27 -0.92 0.00 0.00 175.35 175.84 1av4 n ASN 504 N -0.45 0.90 0.02 2.83 0.23 0.32 -4.84 115.26 114.27 1av4 n ASN 504 Ca -0.08 -1.81 0.04 0.00 -0.53 0.00 0.00 54.58 52.20 1av4 n ASN 504 Cb 0.57 -0.56 0.19 0.00 -2.08 0.00 0.00 39.78 37.90 1av4 n ASN 504 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1av4 n ARG 505 N -2.59 0.02 -0.25 -3.83 1.85 -1.26 -0.43 116.66 110.18 1av4 n ARG 505 Ca 0.13 0.42 0.11 0.00 -1.00 0.00 0.00 57.85 57.51 1av4 n ARG 505 Cb 0.46 -1.56 0.27 0.00 -1.05 0.00 0.00 32.46 30.58 1av4 n ARG 505 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1av4 n LEU 506 N -1.61 3.32 -1.98 2.89 4.77 -1.26 -4.93 117.00 118.20 1av4 n LEU 506 Ca 0.01 -1.54 -0.15 0.00 -0.03 0.00 0.00 56.01 54.30 1av4 n LEU 506 Cb 0.08 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1av4 n LEU 506 CO 0.07 0.77 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.63 1av4 n ASN 507 N 1.35 -4.63 -4.54 -1.43 4.05 0.43 -5.03 115.26 105.45 1av4 n ASN 507 Ca 0.20 -0.13 -0.30 0.00 0.45 0.00 0.00 54.58 54.80 1av4 n ASN 507 Cb 0.55 -3.60 -0.11 0.00 1.23 0.00 0.00 39.78 37.86 1av4 n ASN 507 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1av4 s GLU 508 N -5.11 2.13 0.22 1.20 2.02 -1.25 -4.85 118.70 113.06 1av4 s GLU 508 Ca 0.13 -0.99 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 1av4 s GLU 508 Cb -0.06 -2.28 -0.12 0.00 0.10 0.00 0.00 34.13 31.77 1av4 s GLU 508 CO 0.17 0.52 1.68 -2.14 0.02 0.00 0.00 175.26 175.51 1av4 s PRO 509 N -1.93 4.13 0.40 0.39 0.02 -1.26 -0.52 135.00 136.23 1av4 s PRO 509 Ca 0.19 2.58 -0.25 0.00 0.02 0.00 0.00 61.00 63.54 1av4 s PRO 509 Cb -0.11 -3.07 -0.09 0.00 0.02 0.00 0.00 34.50 31.26 1av4 s PRO 509 CO 0.11 -0.71 1.18 0.14 -0.33 0.00 0.00 177.00 177.38 1av4 s VAL 510 N 0.90 3.10 0.34 3.83 -7.23 -0.09 -4.83 120.40 116.42 1av4 s VAL 510 Ca 0.72 0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 61.70 1av4 s VAL 510 Cb -0.49 -3.53 0.03 0.00 0.56 0.00 0.00 36.38 32.95 1av4 s VAL 510 CO 0.36 0.10 0.66 -0.83 -0.31 0.00 0.00 175.10 175.07 1av4 s GLY 511 N -1.08 0.59 -0.03 2.32 0.00 -1.10 -1.25 107.32 106.78 1av4 s GLY 511 Ca 0.57 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.42 1av4 s GLY 511 CO 0.40 -0.49 -0.05 -0.19 0.00 0.00 0.00 173.10 172.78 1av4 s TYR 512 N -3.00 0.61 -0.18 1.90 1.51 -0.22 -0.61 117.35 117.37 1av4 s TYR 512 Ca 0.19 -0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 56.03 1av4 s TYR 512 Cb -0.03 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 41.26 1av4 s TYR 512 CO 0.12 -0.11 0.12 0.21 -1.11 0.00 0.00 175.55 174.78 1av4 s LYS 513 N 0.51 3.99 -0.25 -0.62 2.20 0.25 -0.91 119.74 124.92 1av4 s LYS 513 Ca -0.06 -0.23 -0.16 0.00 -0.36 0.00 0.00 55.97 55.16 1av4 s LYS 513 Cb -0.10 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1av4 s LYS 513 CO -0.00 0.39 0.43 -1.17 -0.36 0.00 0.00 175.35 174.64 1av4 s LEU 514 N 0.08 4.07 -0.30 5.43 2.96 0.12 -0.28 118.68 130.76 1av4 s LEU 514 Ca 0.09 0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1av4 s LEU 514 Cb -0.11 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.05 1av4 s LEU 514 CO -0.00 -0.19 0.11 -1.00 -1.32 0.00 0.00 176.35 173.95 1av4 s HIS 515 N 1.95 3.16 0.23 5.38 3.76 0.47 -3.25 115.29 126.98 1av4 s HIS 515 Ca 0.18 -0.82 -0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1av4 s HIS 515 Cb -0.15 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 1av4 s HIS 515 CO 0.09 -0.53 0.42 0.00 -0.85 0.00 0.00 174.74 173.87 1av4 s ALA 516 N 1.55 3.81 -0.34 -1.40 0.00 -1.26 -2.15 121.76 121.96 1av4 s ALA 516 Ca 0.03 -0.85 0.25 0.00 0.00 0.00 0.00 51.96 51.40 1av4 s ALA 516 Cb -0.17 -2.01 0.58 0.00 0.00 0.00 0.00 23.12 21.52 1av4 s ALA 516 CO 0.04 0.35 1.69 0.45 0.00 0.00 0.00 175.76 178.30 1av4 h HIS 517 N 1.77 0.00 -4.37 0.00 3.86 -1.98 -3.48 115.15 110.95 1av4 h HIS 517 Ca -0.48 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.43 1av4 h HIS 517 Cb 1.20 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.76 1av4 h HIS 517 CO 0.54 0.00 -0.49 0.09 0.86 0.00 0.00 177.93 178.93 1av4 n ASN 518 N -3.06 -5.17 -4.88 2.45 3.02 -1.26 -5.03 115.26 101.33 1av4 n ASN 518 Ca 0.03 -0.37 -0.30 0.00 -0.03 0.00 0.00 54.58 53.92 1av4 n ASN 518 Cb 0.48 -3.80 -0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1av4 n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1av4 s GLN 519 N -5.88 3.65 0.66 3.52 -1.52 -1.26 -5.00 119.66 113.83 1av4 s GLN 519 Ca 0.40 0.61 -0.18 0.00 -1.95 0.00 0.00 55.36 54.24 1av4 s GLN 519 Cb -0.18 -2.20 -0.00 0.00 -0.22 0.00 0.00 33.01 30.41 1av4 s GLN 519 CO 0.49 -0.38 1.27 -2.14 -0.25 0.00 0.00 175.29 174.29 1av4 s PRO 520 N -4.77 2.51 0.00 2.91 0.02 -1.26 -4.82 135.00 129.59 1av4 s PRO 520 Ca 0.53 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1av4 s PRO 520 Cb -0.11 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1av4 s PRO 520 CO 0.46 -1.61 0.00 0.25 -0.33 0.00 0.00 177.00 175.77 1av4 n THR 521 N -2.01 0.00 -1.68 0.99 -2.24 -1.26 -4.58 114.28 103.50 1av4 n THR 521 Ca 0.15 0.00 -0.53 0.00 -2.27 0.00 0.00 64.05 61.40 1av4 n THR 521 Cb 0.49 -1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 1av4 n THR 521 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1av4 n LEU 522 N 0.00 2.62 0.12 3.22 7.94 -0.16 -4.88 117.00 125.86 1av4 n LEU 522 Ca 0.00 1.05 0.12 0.00 -1.11 0.00 0.00 56.01 56.07 1av4 n LEU 522 Cb 0.00 -1.23 0.06 0.00 0.53 0.00 0.00 43.42 42.78 1av4 n LEU 522 CO 0.00 -0.40 0.22 -0.07 -1.11 0.00 0.00 177.39 176.03 1av4 h LEU 523 N 7.30 0.00 -9.78 -1.96 3.38 -1.93 -3.46 115.31 108.85 1av4 h LEU 523 Ca -0.47 -0.04 -0.56 0.00 0.09 0.00 0.00 57.88 56.90 1av4 h LEU 523 Cb 1.30 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.23 1av4 h LEU 523 CO 0.93 0.02 -0.09 0.00 0.09 0.00 0.00 178.44 179.39 1av4 n ALA 524 N -2.10 -0.58 -1.72 1.53 0.00 -1.26 -4.88 120.51 111.49 1av4 n ALA 524 Ca 0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1av4 n ALA 524 Cb 0.53 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 17.98 1av4 n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1av4 n ASP 525 N -0.79 2.91 0.00 0.00 -0.08 -1.26 -4.85 116.55 112.48 1av4 n ASP 525 Ca 0.12 1.14 0.02 0.00 -1.51 0.00 0.00 54.79 54.57 1av4 n ASP 525 Cb 0.49 -1.54 0.11 0.00 2.34 0.00 0.00 41.12 42.52 1av4 n ASP 525 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1av4 n PRO 526 N 0.12 0.01 0.00 -0.67 -0.02 -1.26 -2.09 135.00 131.09 1av4 n PRO 526 Ca 0.05 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1av4 n PRO 526 Cb 0.39 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 1av4 n PRO 526 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1av4 n GLY 527 N -0.98 -0.53 3.67 -1.23 0.00 -1.26 -4.81 105.19 100.04 1av4 n GLY 527 Ca 0.01 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1av4 n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1av4 s SER 528 N -2.76 2.83 0.15 1.61 1.04 -0.89 -4.95 113.70 110.73 1av4 s SER 528 Ca 0.13 1.43 -0.11 0.00 0.48 0.00 0.00 55.95 57.88 1av4 s SER 528 Cb 0.17 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 1av4 s SER 528 CO 0.73 -3.03 1.54 -1.28 0.98 0.00 0.00 173.24 172.18 1av4 h SER 529 N -1.82 0.97 0.11 7.02 0.87 -1.91 -3.00 113.55 115.79 1av4 h SER 529 Ca -0.52 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 59.57 1av4 h SER 529 Cb 1.30 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1av4 h SER 529 CO 0.54 1.14 -0.26 -0.29 -0.53 0.00 0.00 176.83 177.43 1av4 h ILE 530 N 0.79 1.24 0.00 2.23 6.09 -1.93 -1.31 117.51 124.62 1av4 h ILE 530 Ca 0.11 -1.14 -0.05 0.00 -1.37 0.00 0.00 64.86 62.40 1av4 h ILE 530 Cb 0.76 1.43 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 1av4 h ILE 530 CO 0.06 0.35 -0.26 0.00 -3.07 0.00 0.00 178.15 175.23 1av4 h ALA 531 N 1.51 1.17 0.09 0.18 0.00 -1.78 0.28 119.26 120.71 1av4 h ALA 531 Ca 0.04 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1av4 h ALA 531 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1av4 h ALA 531 CO 0.04 0.32 -0.92 0.00 0.00 0.00 0.00 179.25 178.69 1av4 h ARG 532 N 0.00 0.18 0.00 0.00 3.08 -1.31 -2.82 114.38 113.51 1av4 h ARG 532 Ca -0.00 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 1av4 h ARG 532 Cb 0.63 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1av4 h ARG 532 CO 0.03 1.15 -0.32 0.00 -1.07 0.00 0.00 179.97 179.76 1av4 h ARG 533 N -0.56 0.00 -1.36 0.04 3.08 -1.15 -2.58 114.38 111.84 1av4 h ARG 533 Ca -0.20 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.32 1av4 h ARG 533 Cb 1.51 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.15 1av4 h ARG 533 CO 0.04 0.32 -0.85 0.00 -1.07 0.00 0.00 179.97 178.42 1av4 n ALA 534 N -2.26 4.66 0.04 0.04 0.00 0.98 -4.82 120.51 119.15 1av4 n ALA 534 Ca 0.00 -4.02 0.10 0.00 0.00 0.00 0.00 53.44 49.52 1av4 n ALA 534 Cb 0.49 -0.63 0.55 0.00 0.00 0.00 0.00 19.45 19.86 1av4 n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1av4 h ALA 535 N 2.67 2.01 -0.07 0.00 0.00 -1.55 -1.53 119.26 120.79 1av4 h ALA 535 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1av4 h ALA 535 Cb 1.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1av4 h ALA 535 CO 0.76 -0.08 0.05 0.27 0.00 0.00 0.00 179.25 180.25 1av4 h PHE 536 N 0.28 0.00 0.00 0.00 -0.00 -1.87 -1.78 116.94 113.57 1av4 h PHE 536 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.14 1av4 h PHE 536 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.27 1av4 h PHE 536 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.31 178.31 1av4 n ALA 537 N -2.50 1.94 0.92 12.09 0.00 -0.57 -3.35 120.51 129.04 1av4 n ALA 537 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1av4 n ALA 537 Cb 0.16 -1.35 0.45 0.00 0.00 0.00 0.00 19.45 18.71 1av4 n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1av4 n THR 538 N -1.64 0.10 -4.08 0.00 -2.24 -0.67 -0.99 114.28 104.76 1av4 n THR 538 Ca 0.05 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1av4 n THR 538 Cb 0.26 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 1av4 n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1av4 s LYS 539 N -3.03 0.59 0.18 -0.78 -0.14 -1.21 -4.77 119.74 110.58 1av4 s LYS 539 Ca 0.12 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 53.92 1av4 s LYS 539 Cb 0.17 -0.36 0.07 0.00 -1.68 0.00 0.00 37.83 36.03 1av4 s LYS 539 CO 0.60 0.07 1.43 -0.44 -0.76 0.00 0.00 175.35 176.25 1av4 h ASP 540 N 4.39 0.37 -3.65 2.83 5.19 -1.71 -3.38 116.42 120.46 1av4 h ASP 540 Ca -0.36 -0.26 -0.20 0.00 -0.62 0.00 0.00 57.03 55.59 1av4 h ASP 540 Cb 1.20 -0.11 -0.28 0.00 0.18 0.00 0.00 39.33 40.32 1av4 h ASP 540 CO 0.42 1.00 -0.53 -0.22 -3.12 0.00 0.00 179.24 176.79 1av4 s LEU 541 N -7.78 1.07 0.00 1.55 2.96 -0.74 -1.28 118.68 114.47 1av4 s LEU 541 Ca -0.04 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1av4 s LEU 541 Cb 0.11 0.57 -0.01 0.00 0.50 0.00 0.00 46.19 47.36 1av4 s LEU 541 CO 0.83 -0.09 -0.08 0.26 -1.32 0.00 0.00 176.35 175.94 1av4 s TRP 542 N 0.49 0.72 -0.08 5.38 0.52 -0.25 -0.23 118.94 125.50 1av4 s TRP 542 Ca -0.03 -0.19 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1av4 s TRP 542 Cb -0.05 -0.46 0.02 0.00 -1.15 0.00 0.00 33.47 31.83 1av4 s TRP 542 CO -0.02 -0.02 -0.12 0.08 0.02 0.00 0.00 176.95 176.89 1av4 s VAL 543 N -0.38 1.14 0.25 4.03 1.01 -1.08 0.01 120.40 125.38 1av4 s VAL 543 Ca 0.01 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1av4 s VAL 543 Cb -0.04 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1av4 s VAL 543 CO -0.00 0.36 -0.10 0.42 0.00 0.00 0.00 175.10 175.79 1av4 s THR 544 N 0.86 1.71 -0.08 3.92 -4.23 -0.37 -4.73 115.64 112.72 1av4 s THR 544 Ca -0.11 -2.17 -0.26 0.00 -1.18 0.00 0.00 61.69 57.97 1av4 s THR 544 Cb -0.15 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1av4 s THR 544 CO 0.01 -0.42 0.84 -0.60 -0.54 0.00 0.00 174.62 173.91 1av4 s ARG 545 N -3.69 4.43 0.51 3.99 6.06 -1.26 -0.58 118.95 128.41 1av4 s ARG 545 Ca 0.27 1.11 -0.21 0.00 -2.50 0.00 0.00 55.73 54.39 1av4 s ARG 545 Cb 0.02 -3.50 -0.08 0.00 0.06 0.00 0.00 34.95 31.45 1av4 s ARG 545 CO 0.10 -0.11 0.90 0.98 -2.50 0.00 0.00 175.30 174.67 1av4 n TYR 546 N 4.34 0.70 -3.65 5.12 9.36 -0.02 -4.86 117.16 128.16 1av4 n TYR 546 Ca 0.03 0.50 -0.14 0.00 3.32 0.00 0.00 57.90 61.61 1av4 n TYR 546 Cb 0.50 -2.15 -0.07 0.00 -0.63 0.00 0.00 39.34 36.99 1av4 n TYR 546 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1av4 s ALA 547 N -1.44 -1.67 0.42 2.98 0.00 -1.26 -5.04 121.76 115.76 1av4 s ALA 547 Ca 0.68 1.90 0.10 0.00 0.00 0.00 0.00 51.96 54.64 1av4 s ALA 547 Cb -0.49 -1.10 0.94 0.00 0.00 0.00 0.00 23.12 22.46 1av4 s ALA 547 CO 0.53 -0.32 2.04 -0.44 0.00 0.00 0.00 175.76 177.57 1av4 h ASP 548 N 5.08 0.41 0.23 0.00 3.32 -2.04 -2.88 116.42 120.55 1av4 h ASP 548 Ca -0.29 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1av4 h ASP 548 Cb 1.16 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1av4 h ASP 548 CO 0.08 0.28 -0.34 -0.90 -1.72 0.00 0.00 179.24 176.64 1av4 n ASP 549 N -4.48 1.08 -4.04 6.45 5.75 -1.26 -4.53 116.55 115.52 1av4 n ASP 549 Ca 0.05 -0.88 -0.43 0.00 -0.01 0.00 0.00 54.79 53.51 1av4 n ASP 549 Cb 0.16 0.22 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 1av4 n ASP 549 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1av4 n GLU 550 N -0.72 3.86 -0.03 0.11 1.02 -1.09 -4.71 120.64 119.08 1av4 n GLU 550 Ca 0.11 -4.00 -0.13 0.00 -0.02 0.00 0.00 57.16 53.11 1av4 n GLU 550 Cb 0.36 -2.77 -0.14 0.00 -0.02 0.00 0.00 31.44 28.87 1av4 n GLU 550 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1av4 n ARG 551 N 3.16 0.68 -4.53 3.49 1.74 -1.26 -4.81 116.66 115.12 1av4 n ARG 551 Ca 0.33 0.23 -0.26 0.00 -0.77 0.00 0.00 57.85 57.38 1av4 n ARG 551 Cb 0.36 -1.71 -0.14 0.00 -1.02 0.00 0.00 32.46 29.96 1av4 n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1av4 s TYR 552 N -2.57 1.95 0.53 -1.55 2.02 -1.26 -4.95 117.35 111.52 1av4 s TYR 552 Ca -0.12 -0.39 0.26 0.00 -0.37 0.00 0.00 57.07 56.44 1av4 s TYR 552 Cb 0.07 -1.12 1.58 0.00 -0.40 0.00 0.00 41.96 42.10 1av4 s TYR 552 CO 0.79 0.17 2.17 -1.35 -1.57 0.00 0.00 175.55 175.77 1av4 h PRO 553 N 4.46 0.00 0.00 -1.71 0.11 -1.94 -2.93 132.00 130.00 1av4 h PRO 553 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1av4 h PRO 553 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1av4 h PRO 553 CO 0.42 0.05 -1.44 0.25 -0.21 0.00 0.00 178.00 177.06 1av4 n THR 554 N -3.95 0.00 0.00 -1.15 -2.24 -1.26 -0.92 114.28 104.77 1av4 n THR 554 Ca -0.03 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1av4 n THR 554 Cb 0.13 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1av4 n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1av4 n GLY 555 N 1.63 1.08 0.22 3.38 0.00 -1.11 -3.44 105.19 106.95 1av4 n GLY 555 Ca -0.02 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 1av4 n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1av4 h ASP 556 N 0.00 0.73 -3.79 1.61 3.32 -1.89 -3.41 116.42 112.99 1av4 h ASP 556 Ca 0.00 -0.40 -0.66 0.00 0.02 0.00 0.00 57.03 56.00 1av4 h ASP 556 Cb 0.00 -0.21 -0.40 0.00 0.22 0.00 0.00 39.33 38.94 1av4 h ASP 556 CO 0.00 1.14 -0.70 -0.36 -1.72 0.00 0.00 179.24 177.60 1av4 s PHE 557 N -4.01 3.67 -0.05 4.55 0.08 -1.26 -4.96 117.98 116.00 1av4 s PHE 557 Ca -0.08 -3.01 -0.23 0.00 0.12 0.00 0.00 56.93 53.73 1av4 s PHE 557 Cb 0.11 -2.93 -0.27 0.00 -0.57 0.00 0.00 43.02 39.36 1av4 s PHE 557 CO 0.86 -0.92 0.96 0.28 -0.10 0.00 0.00 175.22 176.29 1av4 h VAL 558 N 6.42 1.53 -0.61 -0.44 2.07 -1.78 -3.42 116.25 120.02 1av4 h VAL 558 Ca -0.05 -2.29 -0.77 0.00 0.82 0.00 0.00 66.70 64.41 1av4 h VAL 558 Cb 1.00 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.75 1av4 h VAL 558 CO 0.56 0.64 1.16 -3.20 0.02 0.00 0.00 177.57 176.74 1av4 n ASN 559 N -4.28 1.32 -3.83 0.57 5.15 -1.26 -1.26 115.26 111.68 1av4 n ASN 559 Ca -0.12 0.79 -0.30 0.00 -0.60 0.00 0.00 54.58 54.35 1av4 n ASN 559 Cb 0.68 -1.00 0.02 0.00 -0.53 0.00 0.00 39.78 38.96 1av4 n ASN 559 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1av4 n GLN 560 N 6.64 -5.20 -4.71 1.20 6.02 -1.25 -0.51 117.38 119.57 1av4 n GLN 560 Ca 0.44 0.59 -0.32 0.00 -0.01 0.00 0.00 57.00 57.70 1av4 n GLN 560 Cb 0.03 -5.46 -0.12 0.00 1.02 0.00 0.00 30.24 25.70 1av4 n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1av4 s HIS 561 N -3.25 2.69 1.16 1.08 2.46 -0.38 -4.52 115.29 114.52 1av4 s HIS 561 Ca 0.63 -0.17 -0.17 0.00 0.47 0.00 0.00 55.06 55.83 1av4 s HIS 561 Cb -0.32 -1.56 0.26 0.00 -0.13 0.00 0.00 32.58 30.83 1av4 s HIS 561 CO 0.78 0.25 1.08 -1.54 -2.47 0.00 0.00 174.74 172.84 1av4 s SER 562 N -1.15 1.26 0.68 9.88 1.04 -1.26 -4.81 113.70 119.34 1av4 s SER 562 Ca 0.14 0.91 -0.03 0.00 0.48 0.00 0.00 55.95 57.45 1av4 s SER 562 Cb -0.11 -1.37 0.08 0.00 0.10 0.00 0.00 66.02 64.73 1av4 s SER 562 CO 0.04 -3.95 0.95 -0.83 0.98 0.00 0.00 173.24 170.43 1av4 s GLY 563 N -3.54 1.76 0.00 7.32 0.00 -1.26 -4.61 107.32 106.99 1av4 s GLY 563 Ca 0.69 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1av4 s GLY 563 CO 0.58 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1av4 n GLY 564 N -2.77 2.96 0.00 0.20 0.00 -0.97 -4.90 105.19 99.71 1av4 n GLY 564 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1av4 n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1av4 n ALA 565 N 0.00 0.66 -2.01 4.61 0.00 -1.26 -3.01 120.51 119.49 1av4 n ALA 565 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1av4 n ALA 565 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1av4 n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1av4 n GLY 566 N -1.01 0.49 0.23 0.00 0.00 -1.22 -4.35 105.19 99.33 1av4 n GLY 566 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1av4 n GLY 566 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1av4 h LEU 567 N 0.00 0.18 -2.04 0.99 3.38 -1.23 -2.65 115.31 113.94 1av4 h LEU 567 Ca 0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1av4 h LEU 567 Cb 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1av4 h LEU 567 CO 0.00 0.10 0.12 -0.65 0.09 0.00 0.00 178.44 178.10 1av4 h PRO 568 N 0.37 0.00 0.00 1.13 0.11 -1.86 -1.23 132.00 130.53 1av4 h PRO 568 Ca 0.31 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.24 1av4 h PRO 568 Cb 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 1av4 h PRO 568 CO -0.33 0.00 -1.15 0.66 -0.21 0.00 0.00 178.00 176.96 1av4 h SER 569 N 0.00 0.00 0.32 -2.05 4.64 -1.38 -3.19 113.55 111.88 1av4 h SER 569 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1av4 h SER 569 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1av4 h SER 569 CO -0.00 0.70 -0.15 1.88 -0.87 0.00 0.00 176.83 178.39 1av4 h TYR 570 N 0.00 -0.39 -0.29 4.77 0.05 -1.09 -3.13 116.97 116.88 1av4 h TYR 570 Ca -0.12 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.74 1av4 h TYR 570 Cb 1.64 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.49 1av4 h TYR 570 CO 0.00 -0.06 0.30 0.82 -1.05 0.00 0.00 178.16 178.17 1av4 h ILE 571 N -0.76 0.47 0.00 -2.88 5.03 -1.39 -2.03 117.51 115.94 1av4 h ILE 571 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1av4 h ILE 571 Cb 0.51 0.76 -0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1av4 h ILE 571 CO 0.07 0.00 -0.03 0.00 -0.68 0.00 0.00 178.15 177.51 1av4 h ALA 572 N 1.67 1.08 0.00 1.87 0.00 -1.52 -2.14 119.26 120.22 1av4 h ALA 572 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1av4 h ALA 572 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1av4 h ALA 572 CO -0.00 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1av4 n GLN 573 N -3.24 0.19 -4.14 0.00 6.02 -0.76 -4.91 117.38 110.54 1av4 n GLN 573 Ca -0.01 0.44 -0.32 0.00 -0.01 0.00 0.00 57.00 57.10 1av4 n GLN 573 Cb 0.20 -1.88 -0.04 0.00 1.02 0.00 0.00 30.24 29.54 1av4 n GLN 573 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1av4 n ASP 574 N -2.24 -1.53 -4.77 1.08 2.03 -0.80 -4.95 116.55 105.37 1av4 n ASP 574 Ca 0.02 -1.05 -0.30 0.00 0.52 0.00 0.00 54.79 53.97 1av4 n ASP 574 Cb 0.22 -2.68 0.10 0.00 -0.72 0.00 0.00 41.12 38.03 1av4 n ASP 574 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1av4 s ARG 575 N -6.85 2.01 -0.03 -0.67 0.52 -1.26 -4.49 118.95 108.17 1av4 s ARG 575 Ca 0.36 0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 56.21 1av4 s ARG 575 Cb -0.20 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 1av4 s ARG 575 CO 0.93 -1.75 0.96 0.34 0.02 0.00 0.00 175.30 175.80 1av4 s ASP 576 N -3.55 7.30 -0.06 0.23 2.15 -1.26 -1.56 116.67 119.92 1av4 s ASP 576 Ca 0.61 1.58 0.08 0.00 0.43 0.00 0.00 52.55 55.26 1av4 s ASP 576 Cb -0.16 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 40.03 1av4 s ASP 576 CO 0.56 -0.29 1.05 2.30 -0.17 0.00 0.00 175.17 178.62 1av4 n ILE 577 N 4.04 1.34 -3.03 4.11 -5.35 -0.16 -4.80 119.36 115.51 1av4 n ILE 577 Ca 0.06 -1.50 -0.45 0.00 -0.27 0.00 0.00 62.75 60.59 1av4 n ILE 577 Cb 0.51 0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 38.57 1av4 n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1av4 s ASP 578 N -1.78 6.62 0.00 7.28 2.15 -1.20 -4.14 116.67 125.60 1av4 s ASP 578 Ca 0.14 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 50.99 1av4 s ASP 578 Cb 0.12 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1av4 s ASP 578 CO 0.01 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.66 1av4 n GLY 579 N 5.13 0.67 3.29 2.66 0.00 0.38 -4.99 105.19 112.34 1av4 n GLY 579 Ca 0.19 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1av4 n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1av4 s GLN 580 N -3.42 1.76 -0.82 1.61 -1.52 -0.05 -4.58 119.66 112.64 1av4 s GLN 580 Ca 0.00 -2.01 -0.26 0.00 -1.95 0.00 0.00 55.36 51.15 1av4 s GLN 580 Cb 0.00 0.33 0.02 0.00 -0.22 0.00 0.00 33.01 33.14 1av4 s GLN 580 CO 0.00 -0.66 1.46 0.34 -0.25 0.00 0.00 175.29 176.18 1av4 s ASP 581 N -3.37 6.06 0.27 5.90 -1.08 -1.07 -1.71 116.67 121.67 1av4 s ASP 581 Ca 0.40 -0.65 0.09 0.00 -0.52 0.00 0.00 52.55 51.87 1av4 s ASP 581 Cb 0.02 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 1av4 s ASP 581 CO 0.27 -1.89 0.02 0.27 0.52 0.00 0.00 175.17 174.37 1av4 s ILE 582 N 6.30 3.54 -0.10 4.11 -4.36 -1.26 -0.84 121.20 128.59 1av4 s ILE 582 Ca 0.45 -1.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 1av4 s ILE 582 Cb -0.06 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.75 1av4 s ILE 582 CO 0.07 -0.36 -0.14 -0.69 0.24 0.00 0.00 174.94 174.06 1av4 s VAL 583 N -2.31 1.36 -0.21 8.37 1.01 0.25 -2.40 120.40 126.48 1av4 s VAL 583 Ca 0.32 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1av4 s VAL 583 Cb -0.06 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1av4 s VAL 583 CO 0.21 0.41 0.13 -0.69 0.00 0.00 0.00 175.10 175.16 1av4 s VAL 584 N 0.99 5.39 -0.31 2.92 1.01 0.35 -1.23 120.40 129.53 1av4 s VAL 584 Ca -0.07 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1av4 s VAL 584 Cb -0.15 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1av4 s VAL 584 CO -0.01 0.42 0.02 0.26 0.00 0.00 0.00 175.10 175.80 1av4 s TRP 585 N 0.48 3.27 -0.21 5.22 0.52 0.10 0.31 118.94 128.64 1av4 s TRP 585 Ca 0.08 -1.81 -0.07 0.00 0.02 0.00 0.00 56.10 54.32 1av4 s TRP 585 Cb -0.11 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 1av4 s TRP 585 CO -0.01 -0.80 0.05 -1.58 0.02 0.00 0.00 176.95 174.64 1av4 s HIS 586 N 1.27 3.14 -0.21 -1.98 2.46 -0.01 -1.09 115.29 118.87 1av4 s HIS 586 Ca -0.04 -0.20 -0.14 0.00 0.47 0.00 0.00 55.06 55.15 1av4 s HIS 586 Cb -0.20 -2.13 -0.04 0.00 -0.13 0.00 0.00 32.58 30.08 1av4 s HIS 586 CO -0.00 -0.10 0.31 0.99 -2.47 0.00 0.00 174.74 173.46 1av4 s THR 587 N 0.93 5.26 -0.07 0.89 2.01 -0.40 -0.62 115.64 123.64 1av4 s THR 587 Ca 0.03 0.52 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 1av4 s THR 587 Cb -0.14 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1av4 s THR 587 CO 0.03 0.29 0.19 0.72 -0.69 0.00 0.00 174.62 175.15 1av4 s PHE 588 N 1.18 -0.21 0.33 4.92 -0.71 -0.62 -4.66 117.98 118.21 1av4 s PHE 588 Ca 0.15 0.50 -0.15 0.00 -1.04 0.00 0.00 56.93 56.39 1av4 s PHE 588 Cb -0.14 0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.77 1av4 s PHE 588 CO 0.06 -0.10 0.68 0.20 -1.34 0.00 0.00 175.22 174.73 1av4 s GLY 589 N 0.10 0.42 -0.09 1.99 0.00 -1.26 -0.05 107.32 108.42 1av4 s GLY 589 Ca -0.00 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1av4 s GLY 589 CO 0.00 -0.39 -0.16 1.08 0.00 0.00 0.00 173.10 173.64 1av4 s LEU 590 N -3.04 2.59 -0.38 0.66 1.43 -0.29 -4.70 118.68 114.95 1av4 s LEU 590 Ca 0.17 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 1av4 s LEU 590 Cb -0.04 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1av4 s LEU 590 CO 0.11 0.23 0.26 -0.89 0.23 0.00 0.00 176.35 176.29 1av4 s THR 591 N -0.06 5.12 -0.48 5.49 2.01 -1.26 -1.09 115.64 125.36 1av4 s THR 591 Ca -0.03 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 1av4 s THR 591 Cb -0.14 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 68.68 1av4 s THR 591 CO 0.04 -0.19 0.40 -2.28 -0.69 0.00 0.00 174.62 171.90 1av4 s HIS 592 N 1.67 3.26 -0.56 4.92 2.46 0.75 -5.01 115.29 122.78 1av4 s HIS 592 Ca 0.05 -1.09 -0.11 0.00 0.47 0.00 0.00 55.06 54.37 1av4 s HIS 592 Cb -0.18 -3.26 0.14 0.00 -0.13 0.00 0.00 32.58 29.14 1av4 s HIS 592 CO 0.09 -0.85 0.47 -0.06 -2.47 0.00 0.00 174.74 171.92 1av4 s PHE 593 N 1.60 3.43 0.33 3.88 0.08 -1.26 -2.24 117.98 123.80 1av4 s PHE 593 Ca 0.04 -1.79 -0.27 0.00 0.12 0.00 0.00 56.93 55.03 1av4 s PHE 593 Cb -0.25 -3.62 -0.13 0.00 -0.57 0.00 0.00 43.02 38.45 1av4 s PHE 593 CO 0.05 -0.99 1.06 -2.30 -0.10 0.00 0.00 175.22 172.95 1av4 n PRO 594 N 4.74 1.51 -4.56 0.24 -0.02 -1.26 -5.02 135.00 130.64 1av4 n PRO 594 Ca -0.05 0.53 -0.26 0.00 -2.02 0.00 0.00 63.50 61.70 1av4 n PRO 594 Cb 0.41 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1av4 n PRO 594 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1av4 s ARG 595 N -1.73 1.84 0.43 -0.52 1.70 -1.26 -4.76 118.95 114.64 1av4 s ARG 595 Ca 0.59 -1.97 0.17 0.00 -0.47 0.00 0.00 55.73 54.05 1av4 s ARG 595 Cb -0.64 -1.66 1.09 0.00 -0.57 0.00 0.00 34.95 33.17 1av4 s ARG 595 CO 0.60 0.09 1.89 0.28 -1.08 0.00 0.00 175.30 177.08 1av4 h VAL 596 N 1.98 0.73 0.00 4.99 2.07 -1.89 -0.66 116.25 123.47 1av4 h VAL 596 Ca -0.42 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1av4 h VAL 596 Cb 1.25 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1av4 h VAL 596 CO 0.73 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.77 1av4 n GLU 597 N -4.48 0.03 0.05 1.57 4.71 -1.26 -2.40 120.64 118.86 1av4 n GLU 597 Ca 0.16 0.23 0.12 0.00 -0.01 0.00 0.00 57.16 57.67 1av4 n GLU 597 Cb 0.62 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.83 1av4 n GLU 597 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1av4 n ASP 598 N -1.47 0.60 -4.69 1.62 8.00 -0.25 -4.52 116.55 115.83 1av4 n ASP 598 Ca 0.04 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 1av4 n ASP 598 Cb 0.17 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 1av4 n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1av4 s TRP 599 N -3.10 3.11 -0.56 1.24 -0.11 -1.01 -2.49 118.94 116.02 1av4 s TRP 599 Ca 0.09 0.11 0.24 0.00 1.22 0.00 0.00 56.10 57.76 1av4 s TRP 599 Cb 0.15 -1.70 0.47 0.00 -1.50 0.00 0.00 33.47 30.89 1av4 s TRP 599 CO 0.68 0.47 1.55 -1.00 -4.62 0.00 0.00 176.95 174.03 1av4 h PRO 600 N 4.45 0.00 -4.90 5.86 0.13 -1.89 -3.48 132.00 132.17 1av4 h PRO 600 Ca -0.49 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.10 1av4 h PRO 600 Cb 1.18 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 1av4 h PRO 600 CO 0.57 0.00 -0.83 -1.50 -0.23 0.00 0.00 178.00 176.02 1av4 s ILE 601 N -3.18 1.31 -0.25 -3.56 1.10 -1.23 -4.70 121.20 110.68 1av4 s ILE 601 Ca 0.07 -0.61 -0.28 0.00 -0.51 0.00 0.00 60.65 59.32 1av4 s ILE 601 Cb 0.10 -1.15 0.01 0.00 0.15 0.00 0.00 42.46 41.56 1av4 s ILE 601 CO 0.67 0.39 1.01 -0.32 -2.11 0.00 0.00 174.94 174.58 1av4 s MET 602 N 0.37 4.21 0.47 3.50 1.75 -0.16 -4.71 119.30 124.73 1av4 s MET 602 Ca -0.10 1.24 -0.22 0.00 -1.25 0.00 0.00 55.69 55.36 1av4 s MET 602 Cb -0.14 -3.66 -0.08 0.00 2.84 0.00 0.00 34.83 33.80 1av4 s MET 602 CO 0.03 -0.66 1.10 -1.25 -0.65 0.00 0.00 175.02 173.59 1av4 s PRO 603 N 3.22 3.76 0.20 4.11 0.04 -1.26 -3.99 135.00 141.08 1av4 s PRO 603 Ca 0.43 1.57 -0.32 0.00 0.04 0.00 0.00 61.00 62.71 1av4 s PRO 603 Cb -0.15 -2.25 -0.14 0.00 0.04 0.00 0.00 34.50 32.00 1av4 s PRO 603 CO 0.08 -0.51 1.32 0.28 0.04 0.00 0.00 177.00 178.21 1av4 n VAL 604 N -0.72 0.82 -4.44 -0.36 0.31 -1.26 -4.80 118.33 107.88 1av4 n VAL 604 Ca 0.08 -0.21 -0.24 0.00 -0.01 0.00 0.00 64.34 63.97 1av4 n VAL 604 Cb 0.50 -1.20 -0.13 0.00 -0.91 0.00 0.00 33.84 32.10 1av4 n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1av4 s ASP 605 N 0.22 2.37 0.09 4.52 2.15 -0.99 -4.95 116.67 120.08 1av4 s ASP 605 Ca 0.71 -0.59 0.06 0.00 0.43 0.00 0.00 52.55 53.17 1av4 s ASP 605 Cb -0.74 -0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 41.68 1av4 s ASP 605 CO 0.50 0.09 -0.15 0.42 -0.17 0.00 0.00 175.17 175.86 1av4 s THR 606 N -0.97 1.28 0.13 1.71 -4.23 -1.26 -1.29 115.64 111.00 1av4 s THR 606 Ca 0.06 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1av4 s THR 606 Cb -0.09 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 1av4 s THR 606 CO 0.03 -0.26 0.11 -0.69 -0.54 0.00 0.00 174.62 173.27 1av4 s VAL 607 N -1.54 0.11 -2.00 2.29 1.01 -1.09 -5.00 120.40 114.19 1av4 s VAL 607 Ca 0.03 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1av4 s VAL 607 Cb -0.08 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1av4 s VAL 607 CO 0.03 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.24 1av4 n GLY 608 N -0.10 -0.57 3.59 4.51 0.00 -1.26 -0.75 105.19 110.61 1av4 n GLY 608 Ca -0.08 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1av4 n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1av4 s PHE 609 N -3.23 -0.25 0.06 1.61 -0.12 -1.02 -4.18 117.98 110.85 1av4 s PHE 609 Ca 0.00 0.07 -0.05 0.00 -0.05 0.00 0.00 56.93 56.91 1av4 s PHE 609 Cb 0.00 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1av4 s PHE 609 CO 0.00 -0.60 0.08 -1.59 -0.05 0.00 0.00 175.22 173.05 1av4 s LYS 610 N -3.11 0.68 -0.09 1.99 -2.85 -0.92 -1.45 119.74 114.00 1av4 s LYS 610 Ca 0.08 -1.00 0.02 0.00 -1.00 0.00 0.00 55.97 54.07 1av4 s LYS 610 Cb -0.01 0.26 0.01 0.00 -2.06 0.00 0.00 37.83 36.03 1av4 s LYS 610 CO -0.05 -0.17 -0.15 -0.51 0.10 0.00 0.00 175.35 174.57 1av4 s LEU 611 N -2.67 1.73 0.06 2.77 1.43 0.54 -0.40 118.68 122.15 1av4 s LEU 611 Ca 0.03 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 1av4 s LEU 611 Cb 0.04 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1av4 s LEU 611 CO -0.09 0.04 -0.25 -0.13 0.23 0.00 0.00 176.35 176.16 1av4 s ARG 612 N 0.75 1.59 0.35 1.70 0.52 0.61 -1.34 118.95 123.14 1av4 s ARG 612 Ca -0.12 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 53.69 1av4 s ARG 612 Cb -0.16 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.39 1av4 s ARG 612 CO 0.03 0.46 1.51 -2.30 0.02 0.00 0.00 175.30 175.01 1av4 n PRO 613 N 1.61 2.66 -3.62 3.54 -0.02 -1.26 0.86 135.00 138.77 1av4 n PRO 613 Ca -0.17 0.94 -0.28 0.00 -2.02 0.00 0.00 63.50 61.97 1av4 n PRO 613 Cb 0.53 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 1av4 n PRO 613 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1av4 s GLU 614 N -1.67 1.57 -0.57 -0.52 2.56 0.22 -4.69 118.70 115.60 1av4 s GLU 614 Ca 0.56 -2.62 0.00 0.00 0.00 0.00 0.00 54.97 52.91 1av4 s GLU 614 Cb -0.49 -2.29 0.00 0.00 2.00 0.00 0.00 34.13 33.36 1av4 s GLU 614 CO 0.60 -1.34 0.00 0.41 -0.56 0.00 0.00 175.26 174.37 1av4 n GLY 615 N 2.51 0.13 0.13 -1.50 0.00 -1.26 -2.72 105.19 102.49 1av4 n GLY 615 Ca 0.25 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1av4 n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1av4 h PHE 616 N 0.00 0.73 -2.52 1.61 3.57 -1.87 -3.37 116.94 115.10 1av4 h PHE 616 Ca -0.15 -0.53 -0.47 0.00 3.53 0.00 0.00 57.97 60.34 1av4 h PHE 616 Cb 1.08 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1av4 h PHE 616 CO 0.17 1.49 -0.31 -0.06 -2.23 0.00 0.00 178.31 177.37 1av4 s PHE 617 N -2.52 3.48 -0.73 0.41 0.08 -1.26 -4.89 117.98 112.55 1av4 s PHE 617 Ca -0.13 0.18 0.26 0.00 0.12 0.00 0.00 56.93 57.36 1av4 s PHE 617 Cb 0.03 -1.74 0.87 0.00 -0.57 0.00 0.00 43.02 41.61 1av4 s PHE 617 CO 0.87 0.29 1.78 -0.25 -0.10 0.00 0.00 175.22 177.81 1av4 n ASP 618 N -1.54 0.71 -2.56 1.36 8.00 -1.26 -4.92 116.55 116.35 1av4 n ASP 618 Ca -0.07 0.58 -0.01 0.00 0.71 0.00 0.00 54.79 56.00 1av4 n ASP 618 Cb 0.56 -0.77 0.01 0.00 -0.02 0.00 0.00 41.12 40.91 1av4 n ASP 618 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1av4 n ARG 619 N -2.18 0.36 -1.68 -1.24 1.85 -1.26 -4.90 116.66 107.60 1av4 n ARG 619 Ca 0.05 -0.86 -0.49 0.00 -1.00 0.00 0.00 57.85 55.55 1av4 n ARG 619 Cb 0.40 1.20 -0.05 0.00 -1.05 0.00 0.00 32.46 32.96 1av4 n ARG 619 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1av4 n SER 620 N -0.98 3.31 0.00 2.89 2.88 -1.26 -4.83 113.62 115.63 1av4 n SER 620 Ca -0.01 0.99 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 1av4 n SER 620 Cb 0.38 -1.36 0.77 0.00 -0.75 0.00 0.00 64.21 63.25 1av4 n SER 620 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1av4 n PRO 621 N 6.17 0.79 -0.74 -1.46 -0.04 -1.26 -3.55 135.00 134.91 1av4 n PRO 621 Ca 0.22 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1av4 n PRO 621 Cb 0.28 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.46 1av4 n PRO 621 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1av4 n VAL 622 N -1.02 2.54 0.21 0.52 0.24 -1.26 -4.57 118.33 114.99 1av4 n VAL 622 Ca 0.19 -2.38 0.10 0.00 -2.04 0.00 0.00 64.34 60.22 1av4 n VAL 622 Cb 0.10 -0.32 0.30 0.00 -1.47 0.00 0.00 33.84 32.46 1av4 n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1av4 h LEU 623 N 1.29 0.00 -1.50 1.34 3.38 -1.97 -3.21 115.31 114.64 1av4 h LEU 623 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1av4 h LEU 623 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1av4 h LEU 623 CO 0.41 0.16 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 1av4 n ASP 624 N -3.19 2.24 -4.72 -0.43 5.75 -1.26 -4.90 116.55 110.04 1av4 n ASP 624 Ca 0.02 -1.81 -0.42 0.00 -0.01 0.00 0.00 54.79 52.57 1av4 n ASP 624 Cb 0.51 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.42 1av4 n ASP 624 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1av4 s VAL 625 N -1.70 4.09 0.83 2.12 -7.23 -1.22 -5.02 120.40 112.28 1av4 s VAL 625 Ca 0.34 1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 61.94 1av4 s VAL 625 Cb 0.19 -3.99 0.09 0.00 0.56 0.00 0.00 36.38 33.23 1av4 s VAL 625 CO 0.28 0.15 1.16 -2.16 -0.31 0.00 0.00 175.10 174.21 1av4 s PRO 626 N 0.78 1.77 -0.81 4.82 0.04 -1.26 -5.01 135.00 135.31 1av4 s PRO 626 Ca 0.56 0.22 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 1av4 s PRO 626 Cb -0.29 -1.92 0.21 0.00 0.04 0.00 0.00 34.50 32.55 1av4 s PRO 626 CO 0.30 -1.75 0.76 0.00 0.04 0.00 0.00 177.00 176.35 1av4 s ALA 627 N -3.44 4.05 -2.16 8.56 0.00 -1.26 -4.77 121.76 122.74 1av4 s ALA 627 Ca 0.62 -3.27 0.31 0.00 0.00 0.00 0.00 51.96 49.62 1av4 s ALA 627 Cb -0.12 -3.51 1.64 0.00 0.00 0.00 0.00 23.12 21.12 1av4 s ALA 627 CO 0.51 -2.28 2.08 0.09 0.00 0.00 0.00 175.76 176.16