#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6m n LEU 3 N 0.00 0.00 -4.54 -3.43 -0.00 -1.26 -4.69 117.00 103.09 1u6m n LEU 3 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 1u6m n LEU 3 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1u6m n LEU 3 CO 0.00 0.00 -0.31 -0.63 -0.00 0.00 0.00 177.39 176.45 1u6m s ILE 4 N -2.97 4.23 0.11 1.96 1.09 -1.26 -1.30 121.20 123.06 1u6m s ILE 4 Ca 0.00 -0.23 0.06 0.00 -1.10 0.00 0.00 60.65 59.38 1u6m s ILE 4 Cb 0.00 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.48 1u6m s ILE 4 CO 0.00 0.47 -0.15 0.00 -0.10 0.00 0.00 174.94 175.16 1u6m s ARG 5 N 0.49 1.00 0.47 2.79 1.70 -0.07 -4.95 118.95 120.37 1u6m s ARG 5 Ca -0.01 -1.17 -0.22 0.00 -0.47 0.00 0.00 55.73 53.87 1u6m s ARG 5 Cb -0.14 -0.96 -0.08 0.00 -0.57 0.00 0.00 34.95 33.21 1u6m s ARG 5 CO 0.02 0.20 1.11 -1.54 -1.08 0.00 0.00 175.30 174.00 1u6m s SER 6 N -2.23 6.23 0.79 -2.89 1.04 -1.26 0.58 113.70 115.96 1u6m s SER 6 Ca 0.06 2.14 -0.12 0.00 0.48 0.00 0.00 55.95 58.51 1u6m s SER 6 Cb -0.07 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.54 1u6m s SER 6 CO 0.03 -0.87 1.15 0.00 0.98 0.00 0.00 173.24 174.53 1u6m s ALA 7 N -1.71 1.98 0.38 5.32 0.00 -0.45 -4.71 121.76 122.57 1u6m s ALA 7 Ca 0.65 0.61 0.04 0.00 0.00 0.00 0.00 51.96 53.26 1u6m s ALA 7 Cb -0.23 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1u6m s ALA 7 CO 0.28 -2.07 0.08 0.95 0.00 0.00 0.00 175.76 174.99 1u6m s THR 8 N -2.45 1.00 0.43 0.00 -4.23 -1.26 -4.71 115.64 104.42 1u6m s THR 8 Ca 0.68 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.31 1u6m s THR 8 Cb -0.23 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.25 1u6m s THR 8 CO 0.51 0.00 1.99 0.11 -0.54 0.00 0.00 174.62 176.69 1u6m h LYS 9 N 1.87 0.15 0.00 3.99 1.57 -1.96 -0.83 116.57 121.37 1u6m h LYS 9 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1u6m h LYS 9 Cb 1.26 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1u6m h LYS 9 CO 0.66 0.25 0.00 1.05 -0.57 0.00 0.00 179.45 180.84 1u6m h GLU 10 N 0.15 0.00 0.00 3.15 9.09 -2.00 -2.35 114.58 122.63 1u6m h GLU 10 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 1u6m h GLU 10 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1u6m h GLU 10 CO 0.01 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.82 1u6m n ASP 11 N -2.46 0.00 -0.41 3.06 8.00 -0.32 -4.49 116.55 119.93 1u6m n ASP 11 Ca -0.01 -0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.11 1u6m n ASP 11 Cb 0.11 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 1u6m n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u6m n GLY 12 N 0.85 -2.55 0.32 0.44 0.00 -0.88 -0.88 105.19 102.49 1u6m n GLY 12 Ca 0.14 1.16 -0.06 0.00 0.00 0.00 0.00 46.02 47.25 1u6m n GLY 12 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1u6m h GLN 13 N 0.00 1.12 0.11 1.61 1.08 -1.86 -1.37 115.11 115.80 1u6m h GLN 13 Ca 0.15 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1u6m h GLN 13 Cb 0.40 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1u6m h GLN 13 CO -0.91 0.93 -0.25 0.00 -0.95 0.00 0.00 178.83 177.65 1u6m h ALA 14 N 1.14 -0.42 -0.47 3.87 0.00 -1.77 0.23 119.26 121.84 1u6m h ALA 14 Ca 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1u6m h ALA 14 Cb 0.25 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1u6m h ALA 14 CO -0.02 -0.78 0.30 0.82 0.00 0.00 0.00 179.25 179.57 1u6m h ILE 15 N -0.45 1.09 -0.73 0.00 2.04 -0.94 -2.51 117.51 116.00 1u6m h ILE 15 Ca 0.03 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1u6m h ILE 15 Cb 0.48 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1u6m h ILE 15 CO -0.15 0.11 0.42 0.00 0.00 0.00 0.00 178.15 178.53 1u6m h ALA 16 N 1.19 1.00 -0.49 1.87 0.00 -1.14 0.20 119.26 121.88 1u6m h ALA 16 Ca 0.18 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1u6m h ALA 16 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1u6m h ALA 16 CO -0.06 0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.47 1u6m h ARG 17 N 0.77 0.72 0.00 0.00 3.08 -0.74 -0.78 114.38 117.43 1u6m h ARG 17 Ca 0.33 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1u6m h ARG 17 Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1u6m h ARG 17 CO -0.19 0.63 -0.41 -0.07 -1.07 0.00 0.00 179.97 178.86 1u6m h LEU 18 N 0.71 0.00 0.00 3.04 3.38 -0.88 -3.27 115.31 118.29 1u6m h LEU 18 Ca 0.17 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 1u6m h LEU 18 Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1u6m h LEU 18 CO -0.01 0.41 -1.45 0.58 0.09 0.00 0.00 178.44 178.06 1u6m h VAL 19 N 0.00 0.87 -0.94 1.22 2.07 -0.66 -3.20 116.25 115.61 1u6m h VAL 19 Ca -0.00 -2.58 0.12 0.00 0.82 0.00 0.00 66.70 65.06 1u6m h VAL 19 Cb 0.95 2.37 -0.08 0.00 -1.52 0.00 0.00 31.29 33.01 1u6m h VAL 19 CO 0.05 0.50 0.57 0.25 0.02 0.00 0.00 177.57 178.96 1u6m h LEU 20 N 0.00 0.80 -0.99 2.57 5.85 -1.20 -0.74 115.31 121.60 1u6m h LEU 20 Ca -0.19 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.70 1u6m h LEU 20 Cb 1.82 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 1u6m h LEU 20 CO 0.08 0.41 0.62 0.58 -0.34 0.00 0.00 178.44 179.79 1u6m h VAL 21 N 0.88 0.94 0.75 1.05 2.07 -1.66 -3.17 116.25 117.10 1u6m h VAL 21 Ca 0.47 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1u6m h VAL 21 Cb 0.51 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1u6m h VAL 21 CO -0.28 0.18 -0.37 0.40 0.02 0.00 0.00 177.57 177.52 1u6m h ILE 22 N 1.00 0.00 -1.63 4.57 1.08 -1.22 -3.21 117.51 118.09 1u6m h ILE 22 Ca 0.48 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.90 1u6m h ILE 22 Cb 0.44 0.00 0.03 0.00 -3.07 0.00 0.00 36.82 34.22 1u6m h ILE 22 CO -0.25 0.00 0.01 0.18 -0.69 0.00 0.00 178.15 177.39 1u6m n LEU 23 N -4.79 0.00 0.00 1.44 4.77 -0.97 -3.58 117.00 113.87 1u6m n LEU 23 Ca -0.13 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1u6m n LEU 23 Cb 0.41 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1u6m n LEU 23 CO 0.30 -1.27 0.00 0.29 -1.33 0.00 0.00 177.39 175.38 1u6m n LYS 24 N -2.06 0.00 0.00 3.23 4.76 -1.25 -4.15 118.16 118.70 1u6m n LYS 24 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1u6m n LYS 24 Cb 0.08 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 1u6m n LYS 24 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1u6m n ASP 25 N 1.37 0.00 -0.09 4.39 3.85 -1.21 -0.07 116.55 124.78 1u6m n ASP 25 Ca 0.00 -0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.07 1u6m n ASP 25 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1u6m n ASP 25 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.20 177.34 1u6m n MET 26 N 1.00 0.00 -3.18 0.11 0.00 -1.23 -4.97 117.12 108.84 1u6m n MET 26 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 57.70 57.44 1u6m n MET 26 Cb 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 33.22 33.22 1u6m n MET 26 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1u6m n GLU 27 N 0.00 -5.65 -2.03 3.17 0.28 0.90 -4.98 120.64 112.33 1u6m n GLU 27 Ca 0.00 0.81 -0.41 0.00 -0.16 0.00 0.00 57.16 57.40 1u6m n GLU 27 Cb 0.50 -5.57 -0.02 0.00 1.43 0.00 0.00 31.44 27.79 1u6m n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1u6m s LEU 28 N -6.41 4.40 0.00 -1.84 2.01 -1.26 -5.02 118.68 110.55 1u6m s LEU 28 Ca 0.38 2.73 0.00 0.00 0.01 0.00 0.00 54.13 57.26 1u6m s LEU 28 Cb -0.17 -3.64 0.00 0.00 0.01 0.00 0.00 46.19 42.39 1u6m s LEU 28 CO 0.47 -0.65 0.00 -0.81 1.01 0.00 0.00 176.35 176.38 1u6m n PRO 29 N 1.30 1.67 0.09 1.29 -0.04 -1.26 -3.79 135.00 134.27 1u6m n PRO 29 Ca 0.03 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1u6m n PRO 29 Cb 0.41 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.03 1u6m n PRO 29 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1u6m n ILE 30 N -0.35 0.00 -0.08 0.52 -6.64 -1.26 0.14 119.36 111.68 1u6m n ILE 30 Ca 0.00 1.02 -0.10 0.00 -1.77 0.00 0.00 62.75 61.90 1u6m n ILE 30 Cb 0.00 -1.94 -0.04 0.00 -1.44 0.00 0.00 39.64 36.22 1u6m n ILE 30 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 1u6m h LEU 31 N 0.00 -1.28 -1.88 7.28 -0.00 -1.95 0.07 115.31 117.55 1u6m h LEU 31 Ca 0.19 0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 58.22 1u6m h LEU 31 Cb 2.20 0.56 -0.03 0.00 -0.00 0.00 0.00 40.66 43.39 1u6m h LEU 31 CO -0.00 -0.37 0.05 -1.84 -0.00 0.00 0.00 178.44 176.28 1u6m n GLU 32 N -5.42 1.49 -0.43 1.13 0.00 0.38 -2.47 120.64 115.32 1u6m n GLU 32 Ca -0.01 -0.56 0.06 0.00 0.00 0.00 0.00 57.16 56.65 1u6m n GLU 32 Cb 0.35 -1.45 0.19 0.00 0.00 0.00 0.00 31.44 30.53 1u6m n GLU 32 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1u6m n GLU 33 N 0.15 1.60 -2.93 3.44 2.13 0.00 -4.98 120.64 120.05 1u6m n GLU 33 Ca 0.08 -3.01 -0.22 0.00 0.66 0.00 0.00 57.16 54.67 1u6m n GLU 33 Cb 0.56 -1.62 0.02 0.00 0.27 0.00 0.00 31.44 30.67 1u6m n GLU 33 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1u6m s VAL 34 N -3.09 3.57 0.57 6.31 -7.23 -1.03 -5.02 120.40 114.48 1u6m s VAL 34 Ca 0.37 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 59.74 1u6m s VAL 34 Cb 0.34 -3.31 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 1u6m s VAL 34 CO -0.02 -0.20 1.15 -0.55 -0.31 0.00 0.00 175.10 175.16 1u6m s SER 35 N -4.28 5.51 0.17 4.85 0.15 -1.26 -4.80 113.70 114.04 1u6m s SER 35 Ca 0.51 2.20 -0.12 0.00 0.70 0.00 0.00 55.95 59.24 1u6m s SER 35 Cb -0.10 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.71 1u6m s SER 35 CO 0.37 -1.37 1.74 -0.33 1.20 0.00 0.00 173.24 174.85 1u6m h GLU 36 N 0.96 0.89 -0.92 5.44 5.08 -1.99 0.41 114.58 124.46 1u6m h GLU 36 Ca -0.50 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 57.74 1u6m h GLU 36 Cb 1.27 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 1u6m h GLU 36 CO 0.56 0.75 0.61 0.93 -1.00 0.00 0.00 179.01 180.86 1u6m h GLU 37 N 0.83 1.14 -0.14 2.33 4.39 -2.00 -1.82 114.58 119.31 1u6m h GLU 37 Ca 0.20 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.61 1u6m h GLU 37 Cb 0.18 -0.26 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1u6m h GLU 37 CO -0.02 0.76 -0.78 1.96 -1.16 0.00 0.00 179.01 179.77 1u6m h GLN 38 N 1.18 0.74 -0.66 2.33 4.20 -1.65 -2.88 115.11 118.36 1u6m h GLN 38 Ca 0.36 -0.61 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 1u6m h GLN 38 Cb -0.02 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1u6m h GLN 38 CO -0.10 1.22 0.24 1.98 -0.67 0.00 0.00 178.83 181.50 1u6m h MET 39 N 0.50 0.98 -0.33 1.46 4.05 0.07 -0.85 114.93 120.82 1u6m h MET 39 Ca -0.05 -0.18 0.03 0.00 -0.28 0.00 0.00 59.70 59.22 1u6m h MET 39 Cb 1.40 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 32.01 1u6m h MET 39 CO 0.16 0.82 0.13 0.82 0.23 0.00 0.00 176.91 179.07 1u6m h ILE 40 N 0.96 0.93 -0.59 1.77 2.04 -1.39 -0.66 117.51 120.57 1u6m h ILE 40 Ca 0.22 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.88 1u6m h ILE 40 Cb 0.22 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1u6m h ILE 40 CO -0.02 0.05 -0.01 0.44 0.00 0.00 0.00 178.15 178.61 1u6m h ASP 41 N 0.28 1.03 0.33 1.72 3.32 -1.26 0.69 116.42 122.55 1u6m h ASP 41 Ca 0.14 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1u6m h ASP 41 Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1u6m h ASP 41 CO -0.13 1.09 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.17 1u6m h LEU 42 N 0.96 -0.62 -0.71 1.55 3.38 -1.10 -1.62 115.31 117.16 1u6m h LEU 42 Ca 0.17 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1u6m h LEU 42 Cb 0.57 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1u6m h LEU 42 CO 0.03 -0.37 0.44 -0.07 0.09 0.00 0.00 178.44 178.56 1u6m h LEU 43 N -0.57 0.72 -0.64 1.67 3.38 -1.01 -1.73 115.31 117.13 1u6m h LEU 43 Ca -0.03 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1u6m h LEU 43 Cb 0.49 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1u6m h LEU 43 CO 0.01 0.49 0.32 0.00 0.09 0.00 0.00 178.44 179.36 1u6m h ALA 44 N 1.31 0.85 -0.38 1.53 0.00 -0.70 -1.63 119.26 120.23 1u6m h ALA 44 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1u6m h ALA 44 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1u6m h ALA 44 CO -0.12 -0.03 0.18 1.49 0.00 0.00 0.00 179.25 180.77 1u6m h GLU 45 N 0.59 0.55 -0.39 0.00 4.81 -0.98 -2.96 114.58 116.20 1u6m h GLU 45 Ca 0.30 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1u6m h GLU 45 Cb 0.24 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1u6m h GLU 45 CO -0.21 0.49 0.27 0.00 -0.73 0.00 0.00 179.01 178.83 1u6m h ALA 46 N 1.03 2.13 0.00 2.92 0.00 -0.61 -2.33 119.26 122.39 1u6m h ALA 46 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1u6m h ALA 46 Cb 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u6m h ALA 46 CO -0.02 -0.22 -0.02 1.15 0.00 0.00 0.00 179.25 180.14 1u6m h THR 47 N 0.18 0.99 0.00 0.00 2.02 -1.14 -2.14 112.91 112.82 1u6m h THR 47 Ca 0.18 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1u6m h THR 47 Cb 0.48 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1u6m h THR 47 CO -0.03 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.88 1u6m h ALA 48 N 1.98 1.00 -2.02 6.16 0.00 -1.49 0.33 119.26 125.21 1u6m h ALA 48 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1u6m h ALA 48 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1u6m h ALA 48 CO 0.00 0.00 0.79 0.71 0.00 0.00 0.00 179.25 180.76 1u6m s TYR 49 N -3.29 3.22 0.48 0.00 1.51 -0.81 -4.87 117.35 113.60 1u6m s TYR 49 Ca 0.06 1.27 0.39 0.00 -1.01 0.00 0.00 57.07 57.78 1u6m s TYR 49 Cb 0.10 -3.50 2.01 0.00 -0.11 0.00 0.00 41.96 40.45 1u6m s TYR 49 CO 0.52 -0.64 2.23 -1.00 -1.11 0.00 0.00 175.55 175.54 1u6m h PRO 50 N 7.85 0.00 0.00 -1.71 0.13 -1.86 -2.63 132.00 133.78 1u6m h PRO 50 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1u6m h PRO 50 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1u6m h PRO 50 CO 1.00 0.01 -0.70 0.25 -0.23 0.00 0.00 178.00 178.34 1u6m n THR 51 N -3.18 0.04 -1.48 1.56 -2.24 -1.26 -4.36 114.28 103.37 1u6m n THR 51 Ca -0.02 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 1u6m n THR 51 Cb 0.16 0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1u6m n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u6m n TYR 52 N -1.60 0.31 -0.24 4.78 9.36 -0.99 -4.39 117.16 124.38 1u6m n TYR 52 Ca 0.05 0.41 0.04 0.00 3.32 0.00 0.00 57.90 61.71 1u6m n TYR 52 Cb 0.36 -2.06 0.14 0.00 -0.63 0.00 0.00 39.34 37.14 1u6m n TYR 52 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1u6m h ARG 53 N 0.10 0.10 -0.82 2.98 2.43 -1.23 -2.08 114.38 115.87 1u6m h ARG 53 Ca -0.47 -0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.12 1u6m h ARG 53 Cb 1.36 -0.02 -0.34 0.00 -0.42 0.00 0.00 29.97 30.54 1u6m h ARG 53 CO 0.48 0.07 -0.05 0.66 -1.51 0.00 0.00 179.97 179.62 1u6m n TYR 54 N -5.33 2.79 -2.66 2.20 4.01 -1.26 -4.72 117.16 112.20 1u6m n TYR 54 Ca 0.12 -2.49 -0.36 0.00 -0.16 0.00 0.00 57.90 55.01 1u6m n TYR 54 Cb 0.44 -0.81 -0.05 0.00 -0.31 0.00 0.00 39.34 38.60 1u6m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u6m s GLY 55 N -2.76 2.71 0.29 2.72 0.00 -0.78 -4.47 107.32 105.03 1u6m s GLY 55 Ca 0.56 0.60 -0.05 0.00 0.00 0.00 0.00 44.72 45.83 1u6m s GLY 55 CO 0.02 1.02 1.56 0.10 0.00 0.00 0.00 173.10 175.80 1u6m h TYR 56 N 2.64 -0.38 0.00 1.90 -0.00 -1.12 0.50 116.97 120.52 1u6m h TYR 56 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 58.73 58.34 1u6m h TYR 56 Cb 1.20 0.32 0.00 0.00 0.00 0.00 0.00 36.73 38.26 1u6m h TYR 56 CO 0.60 -0.43 0.00 0.94 -0.00 0.00 0.00 178.16 179.26 1u6m n GLN 57 N -5.59 0.08 -0.06 0.10 7.27 -1.26 -1.75 117.38 116.17 1u6m n GLN 57 Ca 0.18 0.22 0.12 0.00 0.07 0.00 0.00 57.00 57.58 1u6m n GLN 57 Cb 0.59 -1.50 0.13 0.00 2.41 0.00 0.00 30.24 31.87 1u6m n GLN 57 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1u6m n ARG 58 N -1.42 2.30 -4.89 3.69 1.74 0.17 -5.00 116.66 113.25 1u6m n ARG 58 Ca 0.05 -2.01 -0.33 0.00 -0.77 0.00 0.00 57.85 54.79 1u6m n ARG 58 Cb 0.15 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 1u6m n ARG 58 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u6m s ILE 59 N -1.77 2.86 -0.14 0.55 1.01 -0.72 -2.47 121.20 120.52 1u6m s ILE 59 Ca 0.31 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1u6m s ILE 59 Cb 0.20 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1u6m s ILE 59 CO 0.30 0.55 0.07 -0.76 0.00 0.00 0.00 174.94 175.09 1u6m s LEU 60 N 0.06 3.93 -0.09 2.97 1.02 -0.50 -1.34 118.68 124.73 1u6m s LEU 60 Ca -0.06 0.20 -0.01 0.00 0.02 0.00 0.00 54.13 54.28 1u6m s LEU 60 Cb -0.15 -1.96 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 1u6m s LEU 60 CO 0.05 0.28 -0.06 -0.69 0.02 0.00 0.00 176.35 175.95 1u6m s VAL 61 N -0.28 3.80 -0.40 -1.59 1.01 0.20 -1.64 120.40 121.49 1u6m s VAL 61 Ca 0.09 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1u6m s VAL 61 Cb -0.12 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1u6m s VAL 61 CO 0.01 0.57 0.37 -0.47 0.00 0.00 0.00 175.10 175.58 1u6m s TYR 62 N -0.48 3.20 -0.08 5.22 6.14 -0.09 -0.89 117.35 130.38 1u6m s TYR 62 Ca 0.07 -0.40 -0.13 0.00 0.64 0.00 0.00 57.07 57.25 1u6m s TYR 62 Cb -0.12 -2.73 -0.05 0.00 0.42 0.00 0.00 41.96 39.48 1u6m s TYR 62 CO 0.02 -0.61 0.33 -2.00 0.64 0.00 0.00 175.55 173.94 1u6m s GLU 63 N 1.93 3.97 -0.15 4.97 2.12 -0.42 -0.18 118.70 130.94 1u6m s GLU 63 Ca 0.09 0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.57 1u6m s GLU 63 Cb -0.18 -3.30 0.06 0.00 0.26 0.00 0.00 34.13 30.97 1u6m s GLU 63 CO 0.12 0.53 0.35 -1.58 -0.54 0.00 0.00 175.26 174.14 1u6m s HIS 64 N -0.46 -0.52 -1.53 5.30 2.46 -0.70 -2.97 115.29 116.88 1u6m s HIS 64 Ca 0.20 1.13 -0.05 0.00 0.47 0.00 0.00 55.06 56.81 1u6m s HIS 64 Cb -0.15 0.19 0.01 0.00 -0.13 0.00 0.00 32.58 32.51 1u6m s HIS 64 CO 0.09 -0.31 0.56 0.00 -2.47 0.00 0.00 174.74 172.61 1u6m n ALA 65 N 4.32 -0.97 -0.87 1.58 0.00 -1.26 -0.98 120.51 122.32 1u6m n ALA 65 Ca -0.23 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1u6m n ALA 65 Cb 0.54 -3.66 0.00 0.00 0.00 0.00 0.00 19.45 16.33 1u6m n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6m n GLY 66 N -1.45 0.93 3.56 0.00 0.00 -1.26 -5.02 105.19 101.94 1u6m n GLY 66 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1u6m n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u6m s GLU 67 N -0.13 2.01 -0.59 1.61 2.56 -0.16 -5.06 118.70 118.95 1u6m s GLU 67 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 54.97 53.43 1u6m s GLU 67 Cb 0.00 -2.15 0.01 0.00 2.00 0.00 0.00 34.13 33.99 1u6m s GLU 67 CO 0.00 0.44 1.52 0.08 -0.56 0.00 0.00 175.26 176.74 1u6m s VAL 68 N -1.63 3.66 -0.13 3.70 1.01 -1.26 -1.72 120.40 124.03 1u6m s VAL 68 Ca 0.24 0.51 0.18 0.00 0.00 0.00 0.00 61.98 62.91 1u6m s VAL 68 Cb -0.09 -4.36 -0.16 0.00 0.00 0.00 0.00 36.38 31.77 1u6m s VAL 68 CO 0.14 -1.18 0.71 0.00 0.00 0.00 0.00 175.10 174.77 1u6m n ALA 69 N 10.31 2.05 -3.58 5.51 0.00 0.74 -4.78 120.51 130.76 1u6m n ALA 69 Ca 0.13 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.87 1u6m n ALA 69 Cb 0.50 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 1u6m n ALA 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u6m s GLY 70 N -4.80 -0.42 0.05 0.00 0.00 -1.17 0.68 107.32 101.66 1u6m s GLY 70 Ca -0.04 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.02 1u6m s GLY 70 CO 0.82 0.10 -0.09 -0.26 0.00 0.00 0.00 173.10 173.68 1u6m s ILE 71 N -3.65 0.68 -0.19 0.90 -4.36 0.14 -0.92 121.20 113.80 1u6m s ILE 71 Ca 0.05 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.24 1u6m s ILE 71 Cb -0.02 -0.82 0.03 0.00 1.25 0.00 0.00 42.46 42.90 1u6m s ILE 71 CO -0.06 -0.40 -0.17 0.00 0.24 0.00 0.00 174.94 174.56 1u6m s ALA 72 N -1.59 2.27 -0.08 2.27 0.00 -0.65 -1.28 121.76 122.70 1u6m s ALA 72 Ca -0.06 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.64 1u6m s ALA 72 Cb -0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1u6m s ALA 72 CO 0.00 -0.55 -0.08 0.08 0.00 0.00 0.00 175.76 175.21 1u6m s VAL 73 N 1.29 3.58 0.10 0.00 1.01 -0.03 -1.41 120.40 124.95 1u6m s VAL 73 Ca 0.02 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 1u6m s VAL 73 Cb -0.14 -2.47 0.09 0.00 0.00 0.00 0.00 36.38 33.85 1u6m s VAL 73 CO -0.11 0.58 1.14 -0.83 0.00 0.00 0.00 175.10 175.88 1u6m s GLY 74 N -0.59 -0.01 -0.20 4.51 0.00 -1.03 -0.93 107.32 109.07 1u6m s GLY 74 Ca 0.09 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.37 1u6m s GLY 74 CO 0.02 3.36 1.12 -2.52 0.00 0.00 0.00 173.10 175.08 1u6m s TYR 75 N -2.16 -0.25 0.23 1.90 -0.85 -0.53 -4.74 117.35 110.95 1u6m s TYR 75 Ca 0.24 0.40 -0.32 0.00 -0.52 0.00 0.00 57.07 56.87 1u6m s TYR 75 Cb -0.01 0.47 -0.13 0.00 0.38 0.00 0.00 41.96 42.67 1u6m s TYR 75 CO 0.03 -0.24 1.57 -2.30 -1.52 0.00 0.00 175.55 173.08 1u6m n PRO 76 N 0.58 2.41 0.23 -3.49 -0.02 -1.26 -0.17 135.00 133.27 1u6m n PRO 76 Ca -0.06 0.86 0.17 0.00 -2.02 0.00 0.00 63.50 62.45 1u6m n PRO 76 Cb 0.58 -2.62 0.85 0.00 -0.02 0.00 0.00 33.50 32.29 1u6m n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u6m h ALA 77 N 5.28 1.74 0.00 3.55 0.00 -1.57 -0.54 119.26 127.71 1u6m h ALA 77 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1u6m h ALA 77 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1u6m h ALA 77 CO 0.84 -0.23 0.00 1.05 0.00 0.00 0.00 179.25 180.91 1u6m h GLU 78 N 0.00 0.00 -0.00 0.00 9.09 -1.86 -2.74 114.58 119.08 1u6m h GLU 78 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 1u6m h GLU 78 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1u6m h GLU 78 CO -0.00 0.00 -0.02 -0.25 0.05 0.00 0.00 179.01 178.79 1u6m n ASP 79 N -2.53 0.03 -0.33 3.06 9.92 -0.21 -4.38 116.55 122.10 1u6m n ASP 79 Ca 0.00 0.39 0.18 0.00 -0.53 0.00 0.00 54.79 54.84 1u6m n ASP 79 Cb 0.17 -0.44 0.42 0.00 -0.64 0.00 0.00 41.12 40.63 1u6m n ASP 79 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1u6m h GLU 80 N 0.01 0.53 0.00 -1.24 4.81 -1.65 -2.17 114.58 114.87 1u6m h GLU 80 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1u6m h GLU 80 Cb 0.48 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1u6m h GLU 80 CO 0.00 0.35 0.00 1.63 -0.73 0.00 0.00 179.01 180.26 1u6m n LYS 81 N -4.72 0.08 0.00 1.92 5.02 -1.26 -3.79 118.16 115.41 1u6m n LYS 81 Ca 0.25 0.10 0.05 0.00 -2.02 0.00 0.00 58.31 56.69 1u6m n LYS 81 Cb 0.74 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1u6m n LYS 81 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1u6m n ILE 82 N -1.73 0.00 0.21 -0.18 -5.35 -0.82 -4.76 119.36 106.73 1u6m n ILE 82 Ca 0.06 -0.40 0.09 0.00 -0.27 0.00 0.00 62.75 62.22 1u6m n ILE 82 Cb 0.34 1.12 0.43 0.00 -1.74 0.00 0.00 39.64 39.78 1u6m n ILE 82 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 1u6m h ILE 83 N 1.12 0.65 0.00 7.28 3.07 -1.64 -3.14 117.51 124.86 1u6m h ILE 83 Ca 0.00 -1.22 0.00 0.00 1.55 0.00 0.00 64.86 65.19 1u6m h ILE 83 Cb 0.33 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1u6m h ILE 83 CO 0.00 0.26 -0.76 0.47 -1.05 0.00 0.00 178.15 177.07 1u6m n ASP 84 N -3.44 0.63 -0.26 2.16 8.00 -1.26 -0.65 116.55 121.72 1u6m n ASP 84 Ca -0.00 -0.30 -0.03 0.00 0.71 0.00 0.00 54.79 55.17 1u6m n ASP 84 Cb 0.45 0.53 0.09 0.00 -0.02 0.00 0.00 41.12 42.16 1u6m n ASP 84 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1u6m h GLU 85 N 0.00 0.86 -0.44 -1.24 5.08 -1.88 -1.81 114.58 115.16 1u6m h GLU 85 Ca 0.00 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1u6m h GLU 85 Cb 0.60 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1u6m h GLU 85 CO 0.00 0.57 0.30 -1.35 -1.00 0.00 0.00 179.01 177.53 1u6m h PRO 86 N 0.89 0.32 -0.53 2.33 0.11 -1.79 -0.02 132.00 133.31 1u6m h PRO 86 Ca 0.30 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 1u6m h PRO 86 Cb 0.04 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1u6m h PRO 86 CO -0.12 0.21 0.03 1.25 -0.21 0.00 0.00 178.00 179.16 1u6m h LEU 87 N 0.33 0.84 -0.70 2.35 6.46 -1.61 -2.35 115.31 120.63 1u6m h LEU 87 Ca 0.19 -0.20 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1u6m h LEU 87 Cb 0.35 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1u6m h LEU 87 CO -0.04 0.88 0.23 0.03 -0.62 0.00 0.00 178.44 178.92 1u6m h ARG 88 N 0.82 1.07 0.32 1.25 3.08 -0.86 -3.06 114.38 117.01 1u6m h ARG 88 Ca 0.16 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1u6m h ARG 88 Cb 0.44 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1u6m h ARG 88 CO 0.02 0.92 -0.48 0.93 -1.07 0.00 0.00 179.97 180.28 1u6m h GLU 89 N 1.01 -0.82 -7.14 0.04 5.08 -1.12 -2.71 114.58 108.92 1u6m h GLU 89 Ca 0.23 0.06 -0.55 0.00 -1.00 0.00 0.00 59.36 58.09 1u6m h GLU 89 Cb 0.28 0.19 0.17 0.00 0.50 0.00 0.00 28.75 29.89 1u6m h GLU 89 CO -0.01 -0.55 0.44 0.28 -1.00 0.00 0.00 179.01 178.17 1u6m n VAL 90 N -5.52 3.79 0.00 3.13 0.31 -0.90 -1.00 118.33 118.15 1u6m n VAL 90 Ca -0.10 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1u6m n VAL 90 Cb 0.43 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1u6m n VAL 90 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1u6m n PHE 91 N -2.47 0.00 0.05 3.52 3.01 -1.26 -4.51 117.46 115.80 1u6m n PHE 91 Ca 0.15 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.56 1u6m n PHE 91 Cb 0.49 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.93 1u6m n PHE 91 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1u6m h LYS 92 N 0.00 -0.22 -1.88 -1.08 3.64 -1.14 1.81 116.57 117.69 1u6m h LYS 92 Ca 0.00 0.02 0.55 0.00 -1.27 0.00 0.00 60.65 59.95 1u6m h LYS 92 Cb 0.00 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 1u6m h LYS 92 CO 0.00 -0.15 1.34 0.87 -2.27 0.00 0.00 179.45 179.24 1u6m h LYS 93 N -0.23 0.00 -0.61 1.90 1.57 -1.30 0.33 116.57 118.23 1u6m h LYS 93 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u6m h LYS 93 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1u6m h LYS 93 CO -0.05 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.55 1u6m n HIS 94 N -4.02 1.12 -1.89 -1.35 8.25 -0.39 -4.94 115.22 112.00 1u6m n HIS 94 Ca 0.43 -0.57 -0.15 0.00 -0.26 0.00 0.00 57.72 57.17 1u6m n HIS 94 Cb 1.93 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 32.88 1u6m n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u6m n GLY 95 N 1.12 0.58 0.00 -1.41 0.00 0.12 -4.92 105.19 100.69 1u6m n GLY 95 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1u6m n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u6m n LEU 96 N -1.97 0.00 -0.03 0.99 7.99 0.59 -4.97 117.00 119.61 1u6m n LEU 96 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.70 1u6m n LEU 96 Cb 0.57 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.79 1u6m n LEU 96 CO 0.22 0.00 0.53 0.00 -1.51 0.00 0.00 177.39 176.63 1u6m h ALA 97 N -1.83 0.08 0.00 -1.18 0.00 -1.96 -3.43 119.26 110.94 1u6m h ALA 97 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u6m h ALA 97 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1u6m h ALA 97 CO 0.00 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1u6m n GLU 98 N -4.63 0.00 -1.60 0.00 -0.58 -1.26 -4.71 120.64 107.86 1u6m n GLU 98 Ca -0.08 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.30 1u6m n GLU 98 Cb 0.38 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.31 1u6m n GLU 98 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1u6m n ASP 99 N 3.02 7.39 -4.78 1.62 5.75 -1.26 -4.78 116.55 123.52 1u6m n ASP 99 Ca 0.00 -3.80 -0.41 0.00 -0.01 0.00 0.00 54.79 50.57 1u6m n ASP 99 Cb 0.00 -0.95 0.00 0.00 -1.03 0.00 0.00 41.12 39.14 1u6m n ASP 99 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1u6m s VAL 100 N -4.92 2.07 -0.13 2.12 -7.23 -1.26 -5.00 120.40 106.05 1u6m s VAL 100 Ca 0.59 0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.53 1u6m s VAL 100 Cb 0.48 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1u6m s VAL 100 CO -0.14 0.01 1.24 -0.60 -0.31 0.00 0.00 175.10 175.30 1u6m s ARG 101 N -2.20 4.27 0.44 4.82 6.06 -1.26 -5.01 118.95 126.08 1u6m s ARG 101 Ca 0.55 1.67 0.04 0.00 -2.50 0.00 0.00 55.73 55.49 1u6m s ARG 101 Cb -0.46 -3.69 -0.04 0.00 0.06 0.00 0.00 34.95 30.82 1u6m s ARG 101 CO 0.61 -0.62 0.03 -0.51 -2.50 0.00 0.00 175.30 172.31 1u6m s LEU 102 N 3.04 2.45 0.15 -0.88 1.43 -1.26 -4.79 118.68 118.83 1u6m s LEU 102 Ca 0.55 -1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 51.82 1u6m s LEU 102 Cb -0.23 -0.67 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 1u6m s LEU 102 CO 0.17 -0.69 1.35 0.12 0.23 0.00 0.00 176.35 177.53 1u6m s PHE 103 N -2.91 3.25 -0.01 0.29 5.36 -1.26 -4.94 117.98 117.77 1u6m s PHE 103 Ca 0.22 1.09 0.01 0.00 -0.96 0.00 0.00 56.93 57.29 1u6m s PHE 103 Cb 0.06 -3.64 0.02 0.00 -0.34 0.00 0.00 43.02 39.11 1u6m s PHE 103 CO 0.11 -2.12 0.88 0.44 -1.46 0.00 0.00 175.22 173.07 1u6m n ILE 104 N 3.33 0.14 -2.13 3.12 -6.64 -1.26 -5.09 119.36 110.83 1u6m n ILE 104 Ca 0.09 -0.16 -0.37 0.00 -1.77 0.00 0.00 62.75 60.53 1u6m n ILE 104 Cb 0.43 0.58 0.01 0.00 -1.44 0.00 0.00 39.64 39.22 1u6m n ILE 104 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 1u6m s GLU 105 N -0.20 3.48 -0.14 6.28 2.02 -1.26 -4.98 118.70 123.89 1u6m s GLU 105 Ca 0.02 1.86 -0.29 0.00 0.02 0.00 0.00 54.97 56.58 1u6m s GLU 105 Cb 0.02 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 1u6m s GLU 105 CO 0.00 -0.81 1.30 -1.83 0.02 0.00 0.00 175.26 173.94 1u6m s GLU 106 N -2.89 4.24 0.00 1.61 4.04 -1.26 -4.92 118.70 119.52 1u6m s GLU 106 Ca 0.68 1.73 0.00 0.00 0.04 0.00 0.00 54.97 57.42 1u6m s GLU 106 Cb -0.31 -3.76 0.00 0.00 0.02 0.00 0.00 34.13 30.08 1u6m s GLU 106 CO 0.36 -0.69 0.68 -0.85 -1.84 0.00 0.00 175.26 172.92 1u6m n GLU 107 N 6.47 1.20 -4.22 -4.83 0.28 -1.26 -4.92 120.64 113.35 1u6m n GLU 107 Ca 0.14 -0.90 -0.17 0.00 -0.16 0.00 0.00 57.16 56.07 1u6m n GLU 107 Cb 0.45 -0.81 -0.11 0.00 1.43 0.00 0.00 31.44 32.40 1u6m n GLU 107 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1u6m s THR 108 N -0.46 1.21 0.09 3.84 2.01 -1.26 -4.84 115.64 116.24 1u6m s THR 108 Ca 0.00 -1.73 0.08 0.00 0.31 0.00 0.00 61.69 60.36 1u6m s THR 108 Cb 0.00 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1u6m s THR 108 CO 0.00 -0.48 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.50 1u6m s LEU 109 N -2.51 2.61 0.52 4.42 1.43 -1.26 -5.06 118.68 118.83 1u6m s LEU 109 Ca 0.09 -0.53 0.19 0.00 -1.03 0.00 0.00 54.13 52.85 1u6m s LEU 109 Cb -0.04 -1.50 1.33 0.00 0.03 0.00 0.00 46.19 46.01 1u6m s LEU 109 CO 0.02 0.21 2.14 1.55 0.23 0.00 0.00 176.35 180.50 1u6m h PRO 110 N 4.08 0.00 -0.28 1.29 0.13 -2.02 -3.11 132.00 132.10 1u6m h PRO 110 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1u6m h PRO 110 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1u6m h PRO 110 CO 0.46 0.04 0.00 0.27 -0.23 0.00 0.00 178.00 178.54 1u6m n ASN 111 N -4.34 1.69 -4.52 1.44 2.04 -1.26 -4.68 115.26 105.63 1u6m n ASN 111 Ca -0.03 -1.91 -0.27 0.00 -0.44 0.00 0.00 54.58 51.94 1u6m n ASN 111 Cb 0.12 -0.18 -0.10 0.00 -2.53 0.00 0.00 39.78 37.09 1u6m n ASN 111 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 1u6m s GLU 112 N -1.63 1.87 -0.17 -3.83 -1.05 -1.18 -2.76 118.70 109.94 1u6m s GLU 112 Ca 0.25 -1.35 -0.26 0.00 -0.15 0.00 0.00 54.97 53.45 1u6m s GLU 112 Cb 0.13 -2.05 -0.01 0.00 -0.44 0.00 0.00 34.13 31.76 1u6m s GLU 112 CO 0.18 0.42 0.88 -0.46 0.95 0.00 0.00 175.26 177.24 1u6m s TRP 113 N -1.67 3.42 -0.21 4.83 -0.00 0.50 -1.60 118.94 124.21 1u6m s TRP 113 Ca 0.23 1.33 -0.11 0.00 -0.00 0.00 0.00 56.10 57.54 1u6m s TRP 113 Cb -0.09 -3.08 -0.05 0.00 -0.00 0.00 0.00 33.47 30.26 1u6m s TRP 113 CO 0.13 -0.28 0.19 -0.47 -0.00 0.00 0.00 176.95 176.53 1u6m s TYR 114 N 2.31 3.37 -0.65 5.86 6.14 0.76 -0.50 117.35 134.63 1u6m s TYR 114 Ca 0.40 0.34 -0.28 0.00 0.64 0.00 0.00 57.07 58.18 1u6m s TYR 114 Cb -0.17 -2.27 0.03 0.00 0.42 0.00 0.00 41.96 39.97 1u6m s TYR 114 CO 0.12 0.14 1.25 -1.17 0.64 0.00 0.00 175.55 176.54 1u6m s LEU 115 N 0.81 3.31 -0.02 6.97 2.96 -0.66 -1.45 118.68 130.60 1u6m s LEU 115 Ca 0.10 -0.13 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 1u6m s LEU 115 Cb -0.13 -2.88 -0.20 0.00 0.50 0.00 0.00 46.19 43.48 1u6m s LEU 115 CO 0.03 -1.67 1.25 -0.78 -1.32 0.00 0.00 176.35 173.86 1u6m h ASP 116 N 9.92 -0.01 -4.12 3.68 3.58 -1.37 -3.42 116.42 124.67 1u6m h ASP 116 Ca -0.26 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 56.68 1u6m h ASP 116 Cb 1.06 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.89 1u6m h ASP 116 CO 1.23 0.49 0.24 0.28 -2.88 0.00 0.00 179.24 178.60 1u6m s THR 117 N -4.20 0.00 -0.26 2.25 -1.32 -1.08 -5.02 115.64 106.00 1u6m s THR 117 Ca -0.16 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 1u6m s THR 117 Cb 0.02 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1u6m s THR 117 CO 0.67 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.43 1u6m s ILE 118 N -0.19 3.19 -0.06 5.08 1.01 -1.26 -0.85 121.20 128.12 1u6m s ILE 118 Ca -0.02 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.73 1u6m s ILE 118 Cb -0.03 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1u6m s ILE 118 CO 0.02 0.15 -0.24 -0.44 0.00 0.00 0.00 174.94 174.43 1u6m s SER 119 N 1.37 3.19 -0.10 3.58 0.01 -0.40 -4.98 113.70 116.37 1u6m s SER 119 Ca 0.01 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1u6m s SER 119 Cb -0.17 -0.84 -0.02 0.00 0.21 0.00 0.00 66.02 65.21 1u6m s SER 119 CO -0.02 0.26 -0.14 -0.69 0.41 0.00 0.00 173.24 173.06 1u6m s VAL 120 N -0.22 3.05 0.47 3.43 1.01 -1.26 -0.68 120.40 126.19 1u6m s VAL 120 Ca -0.02 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 1u6m s VAL 120 Cb -0.13 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 1u6m s VAL 120 CO 0.03 0.55 1.38 -0.67 0.00 0.00 0.00 175.10 176.39 1u6m n ASP 121 N 3.10 3.01 0.24 3.32 -0.08 0.21 -4.92 116.55 121.44 1u6m n ASP 121 Ca -0.18 1.08 0.09 0.00 -1.51 0.00 0.00 54.79 54.28 1u6m n ASP 121 Cb 0.53 -1.58 0.62 0.00 2.34 0.00 0.00 41.12 43.02 1u6m n ASP 121 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1u6m h GLU 122 N 2.03 0.00 0.00 -0.67 4.39 -1.99 -1.45 114.58 116.90 1u6m h GLU 122 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1u6m h GLU 122 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1u6m h GLU 122 CO 0.60 0.17 0.00 0.54 -1.16 0.00 0.00 179.01 179.16 1u6m n ARG 123 N -3.86 0.75 -0.94 2.33 1.74 -1.26 -4.05 116.66 111.37 1u6m n ARG 123 Ca -0.02 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1u6m n ARG 123 Cb 0.27 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.24 1u6m n ARG 123 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1u6m n PHE 124 N -1.01 0.00 -1.75 -1.55 3.72 -0.55 -5.08 117.46 111.25 1u6m n PHE 124 Ca 0.18 -0.43 -0.32 0.00 -0.05 0.00 0.00 57.45 56.84 1u6m n PHE 124 Cb 0.09 -0.12 0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1u6m n PHE 124 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1u6m s ARG 125 N -0.47 3.09 -0.09 -1.08 1.81 -1.21 -4.05 118.95 116.94 1u6m s ARG 125 Ca 0.21 1.03 0.00 0.00 -1.72 0.00 0.00 55.73 55.25 1u6m s ARG 125 Cb 0.23 -2.01 0.00 0.00 -0.45 0.00 0.00 34.95 32.72 1u6m s ARG 125 CO -0.08 -0.98 0.00 0.41 -0.68 0.00 0.00 175.30 173.97 1u6m n GLY 126 N -1.66 0.47 0.52 -3.53 0.00 -1.26 -4.89 105.19 94.84 1u6m n GLY 126 Ca 0.08 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1u6m n GLY 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1u6m n MET 127 N -2.43 1.04 -1.01 1.61 2.81 -1.26 -5.00 117.12 112.88 1u6m n MET 127 Ca -0.01 -1.37 -0.01 0.00 -1.81 0.00 0.00 57.70 54.51 1u6m n MET 127 Cb 0.10 -1.24 -0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1u6m n MET 127 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u6m n GLY 128 N 0.66 0.47 0.13 3.03 0.00 -1.26 -4.94 105.19 103.28 1u6m n GLY 128 Ca 0.08 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1u6m n GLY 128 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u6m h ILE 129 N 0.00 0.78 -0.61 -0.61 2.04 -1.94 -2.01 117.51 115.16 1u6m h ILE 129 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1u6m h ILE 129 Cb 0.10 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 1u6m h ILE 129 CO 0.02 0.00 0.25 1.23 0.00 0.00 0.00 178.15 179.64 1u6m h GLY 130 N -0.13 0.86 1.82 5.37 0.00 -1.95 0.21 103.07 109.26 1u6m h GLY 130 Ca 0.04 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 1u6m h GLY 130 CO -0.10 0.01 -0.70 0.23 0.00 0.00 0.00 176.54 175.98 1u6m h SER 131 N 0.44 0.21 -0.40 0.19 0.87 -1.93 -2.18 113.55 110.76 1u6m h SER 131 Ca 0.30 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.63 1u6m h SER 131 Cb 0.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1u6m h SER 131 CO -0.28 0.84 -0.12 0.11 -0.53 0.00 0.00 176.83 176.84 1u6m h LYS 132 N 0.12 0.79 -0.93 2.24 1.79 -0.58 -2.33 116.57 117.66 1u6m h LYS 132 Ca -0.02 -0.31 0.05 0.00 -2.18 0.00 0.00 60.65 58.18 1u6m h LYS 132 Cb 1.24 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.80 1u6m h LYS 132 CO 0.10 0.93 0.60 -0.07 -1.08 0.00 0.00 179.45 179.93 1u6m h LEU 133 N 0.60 0.98 -1.18 2.94 3.38 -0.93 -2.28 115.31 118.81 1u6m h LEU 133 Ca 0.10 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1u6m h LEU 133 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1u6m h LEU 133 CO 0.04 0.65 -0.16 0.25 0.09 0.00 0.00 178.44 179.32 1u6m h LEU 134 N 1.13 0.37 -1.37 1.67 5.85 -1.23 -2.37 115.31 119.36 1u6m h LEU 134 Ca 0.38 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1u6m h LEU 134 Cb 0.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1u6m h LEU 134 CO -0.14 0.55 -0.27 0.44 -0.34 0.00 0.00 178.44 178.68 1u6m h ASP 135 N 0.35 0.00 1.35 1.25 3.32 -0.85 -2.78 116.42 119.05 1u6m h ASP 135 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1u6m h ASP 135 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1u6m h ASP 135 CO 0.03 0.27 -0.04 0.00 -1.72 0.00 0.00 179.24 177.77 1u6m n ALA 136 N -2.33 2.35 0.02 3.45 0.00 -0.90 -4.24 120.51 118.86 1u6m n ALA 136 Ca -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1u6m n ALA 136 Cb 0.38 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1u6m n ALA 136 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1u6m h LEU 137 N 0.00 0.70 -1.24 0.00 3.38 -1.43 -3.26 115.31 113.47 1u6m h LEU 137 Ca 0.00 -0.46 0.26 0.00 0.09 0.00 0.00 57.88 57.77 1u6m h LEU 137 Cb 0.69 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 1u6m h LEU 137 CO 0.00 1.23 0.65 -0.65 0.09 0.00 0.00 178.44 179.76 1u6m h PRO 138 N 0.40 0.44 -0.31 1.13 0.11 -1.74 -0.75 132.00 131.28 1u6m h PRO 138 Ca -0.04 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.90 1u6m h PRO 138 Cb 1.35 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1u6m h PRO 138 CO 0.14 0.29 -0.38 1.05 -0.21 0.00 0.00 178.00 178.89 1u6m h GLU 139 N 0.45 0.72 -0.36 1.05 4.11 -1.86 -1.87 114.58 116.82 1u6m h GLU 139 Ca 0.62 -0.37 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 1u6m h GLU 139 Cb 1.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1u6m h GLU 139 CO -0.36 0.98 0.17 0.28 0.07 0.00 0.00 179.01 180.15 1u6m h VAL 140 N 0.60 1.17 -0.60 -1.06 2.07 -1.39 -1.02 116.25 116.02 1u6m h VAL 140 Ca 0.05 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1u6m h VAL 140 Cb 0.92 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1u6m h VAL 140 CO 0.08 0.18 0.16 0.00 0.02 0.00 0.00 177.57 178.02 1u6m h ALA 141 N 1.02 0.79 -0.44 1.67 0.00 -1.15 -2.83 119.26 118.32 1u6m h ALA 141 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1u6m h ALA 141 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1u6m h ALA 141 CO -0.02 0.48 0.24 -0.22 0.00 0.00 0.00 179.25 179.74 1u6m h LYS 142 N 0.86 0.60 0.00 0.00 3.64 -1.23 -2.60 116.57 117.84 1u6m h LYS 142 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1u6m h LYS 142 Cb 0.32 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1u6m h LYS 142 CO -0.00 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 1u6m h ALA 143 N 1.10 1.00 -0.14 5.00 0.00 -1.04 -0.98 119.26 124.20 1u6m h ALA 143 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1u6m h ALA 143 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1u6m h ALA 143 CO -0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 1u6m n SER 144 N -2.57 2.60 -0.08 0.00 3.41 -1.00 -4.94 113.62 111.03 1u6m n SER 144 Ca -0.00 -1.85 -0.01 0.00 -0.26 0.00 0.00 58.87 56.75 1u6m n SER 144 Cb 0.17 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1u6m n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6m n GLY 145 N 1.32 0.49 3.84 5.00 0.00 -0.37 -5.03 105.19 110.44 1u6m n GLY 145 Ca 0.17 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1u6m n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u6m s LYS 146 N -0.98 4.04 0.28 1.61 -0.14 -1.10 -4.99 119.74 118.44 1u6m s LYS 146 Ca 0.00 0.65 0.06 0.00 -1.36 0.00 0.00 55.97 55.33 1u6m s LYS 146 Cb 0.00 -2.61 0.39 0.00 -1.68 0.00 0.00 37.83 33.93 1u6m s LYS 146 CO 0.00 0.26 1.65 0.37 -0.76 0.00 0.00 175.35 176.88 1u6m h GLN 147 N 2.69 0.21 -4.15 1.68 -0.00 -1.84 -3.41 115.11 110.30 1u6m h GLN 147 Ca -0.48 -0.12 -0.17 0.00 -0.00 0.00 0.00 58.65 57.89 1u6m h GLN 147 Cb 1.18 0.01 -0.19 0.00 0.00 0.00 0.00 27.48 28.48 1u6m h GLN 147 CO 0.66 0.66 -0.70 0.00 0.00 0.00 0.00 178.83 179.45 1u6m s ALA 148 N -3.98 0.32 -0.22 3.38 0.00 -1.11 -1.37 121.76 118.79 1u6m s ALA 148 Ca -0.04 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 1u6m s ALA 148 Cb 0.13 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1u6m s ALA 148 CO 0.78 -0.22 0.10 -1.17 0.00 0.00 0.00 175.76 175.25 1u6m s LEU 149 N -2.00 3.85 0.27 0.00 0.20 -0.23 -0.37 118.68 120.41 1u6m s LEU 149 Ca -0.07 0.04 0.11 0.00 0.69 0.00 0.00 54.13 54.89 1u6m s LEU 149 Cb -0.04 -2.01 -0.05 0.00 -0.43 0.00 0.00 46.19 43.67 1u6m s LEU 149 CO -0.04 0.10 -0.17 -0.83 -0.29 0.00 0.00 176.35 175.12 1u6m s GLY 150 N 0.85 1.82 0.24 7.98 0.00 0.34 -0.28 107.32 118.28 1u6m s GLY 150 Ca 0.05 -1.86 -0.22 0.00 0.00 0.00 0.00 44.72 42.69 1u6m s GLY 150 CO 0.03 -1.93 0.71 0.48 0.00 0.00 0.00 173.10 172.39 1u6m s LEU 151 N -3.48 -0.33 -0.14 0.66 0.05 -0.19 -1.64 118.68 113.61 1u6m s LEU 151 Ca 0.29 -0.44 0.02 0.00 0.05 0.00 0.00 54.13 54.05 1u6m s LEU 151 Cb -0.03 2.65 0.01 0.00 -2.05 0.00 0.00 46.19 46.77 1u6m s LEU 151 CO 0.13 -1.22 -0.21 0.20 -0.55 0.00 0.00 176.35 174.70 1u6m s ASN 152 N -2.87 3.07 -0.12 1.48 0.01 -1.26 -1.04 114.94 114.21 1u6m s ASN 152 Ca 0.09 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.65 1u6m s ASN 152 Cb -0.04 -1.42 -0.02 0.00 0.41 0.00 0.00 41.25 40.18 1u6m s ASN 152 CO 0.02 0.07 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.85 1u6m s VAL 153 N 0.85 2.97 0.47 1.60 1.01 -0.27 -4.94 120.40 122.10 1u6m s VAL 153 Ca -0.06 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 1u6m s VAL 153 Cb -0.15 -2.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 1u6m s VAL 153 CO -0.03 0.54 1.40 -0.67 0.00 0.00 0.00 175.10 176.34 1u6m n ASP 154 N 3.37 3.10 -0.26 3.32 -0.08 -1.26 -0.49 116.55 124.26 1u6m n ASP 154 Ca -0.18 1.09 0.16 0.00 -1.51 0.00 0.00 54.79 54.35 1u6m n ASP 154 Cb 0.53 -1.59 0.45 0.00 2.34 0.00 0.00 41.12 42.85 1u6m n ASP 154 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1u6m h PHE 155 N 2.07 0.68 -0.18 -0.67 -1.00 -1.36 -1.46 116.94 115.01 1u6m h PHE 155 Ca -0.51 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1u6m h PHE 155 Cb 1.28 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1u6m h PHE 155 CO 0.48 0.20 0.00 -0.25 -1.61 0.00 0.00 178.31 177.14 1u6m n ASP 156 N -4.55 1.20 -3.01 2.17 8.00 -1.26 -4.20 116.55 114.91 1u6m n ASP 156 Ca 0.19 -2.04 -0.26 0.00 0.71 0.00 0.00 54.79 53.39 1u6m n ASP 156 Cb 0.61 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 1u6m n ASP 156 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1u6m n ASN 157 N 0.07 4.16 0.30 -2.24 4.05 -0.55 -4.91 115.26 116.13 1u6m n ASN 157 Ca 0.07 -3.61 0.19 0.00 0.45 0.00 0.00 54.58 51.67 1u6m n ASN 157 Cb 0.21 -0.58 0.85 0.00 1.23 0.00 0.00 39.78 41.49 1u6m n ASN 157 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1u6m h PRO 158 N 3.11 0.00 -0.12 1.20 0.13 -1.77 -2.27 132.00 132.27 1u6m h PRO 158 Ca 0.13 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.15 1u6m h PRO 158 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1u6m h PRO 158 CO 0.80 0.01 -0.37 0.78 -0.23 0.00 0.00 178.00 178.98 1u6m h GLY 159 N 1.41 0.51 0.84 1.56 0.00 -1.95 -0.92 103.07 104.51 1u6m h GLY 159 Ca -0.00 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.70 1u6m h GLY 159 CO 0.00 0.59 0.38 0.00 0.00 0.00 0.00 176.54 177.52 1u6m h ALA 160 N 0.51 0.83 -0.71 3.60 0.00 -1.86 -1.79 119.26 119.83 1u6m h ALA 160 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1u6m h ALA 160 Cb 1.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1u6m h ALA 160 CO 0.08 0.12 0.26 -0.09 0.00 0.00 0.00 179.25 179.62 1u6m h ARG 161 N 0.74 1.08 -0.74 0.00 2.43 -1.37 -0.80 114.38 115.72 1u6m h ARG 161 Ca 0.26 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1u6m h ARG 161 Cb 0.05 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1u6m h ARG 161 CO -0.12 0.90 0.38 -0.22 -1.51 0.00 0.00 179.97 179.41 1u6m h LYS 162 N 1.03 1.04 -0.22 0.20 3.64 -0.97 0.21 116.57 121.49 1u6m h LYS 162 Ca 0.23 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1u6m h LYS 162 Cb 0.24 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1u6m h LYS 162 CO -0.02 0.79 -0.15 1.25 -2.27 0.00 0.00 179.45 179.06 1u6m h LEU 163 N 1.02 -0.50 -0.65 5.20 6.46 -0.80 -1.33 115.31 124.71 1u6m h LEU 163 Ca 0.26 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 58.06 1u6m h LEU 163 Cb 0.07 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1u6m h LEU 163 CO -0.04 -0.19 0.16 1.88 -0.62 0.00 0.00 178.44 179.63 1u6m h TYR 164 N -0.15 1.08 -0.72 1.25 0.99 -0.96 -1.95 116.97 116.51 1u6m h TYR 164 Ca 0.13 -0.13 0.09 0.00 2.00 0.00 0.00 58.73 60.81 1u6m h TYR 164 Cb 0.34 -0.31 -0.05 0.00 1.00 0.00 0.00 36.73 37.71 1u6m h TYR 164 CO -0.31 0.90 0.47 0.00 -0.00 0.00 0.00 178.16 179.22 1u6m h ALA 165 N 1.06 1.81 0.00 3.88 0.00 -0.17 -1.20 119.26 124.64 1u6m h ALA 165 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1u6m h ALA 165 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1u6m h ALA 165 CO 0.00 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1u6m n SER 166 N -4.49 0.63 -0.69 0.00 3.41 -0.54 -2.21 113.62 109.73 1u6m n SER 166 Ca 0.11 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1u6m n SER 166 Cb 0.30 -0.75 0.09 0.00 -0.26 0.00 0.00 64.21 63.60 1u6m n SER 166 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1u6m n LYS 167 N -2.12 1.71 0.00 4.33 5.02 -0.53 -4.95 118.16 121.62 1u6m n LYS 167 Ca 0.05 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 1u6m n LYS 167 Cb 0.35 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1u6m n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u6m n GLY 168 N 1.37 1.14 3.78 0.72 0.00 -0.94 -5.06 105.19 106.21 1u6m n GLY 168 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1u6m n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u6m s PHE 169 N -2.00 3.22 0.01 1.61 0.40 -0.74 -4.50 117.98 115.98 1u6m s PHE 169 Ca 0.00 1.63 0.04 0.00 -0.60 0.00 0.00 56.93 58.00 1u6m s PHE 169 Cb 0.00 -3.14 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 1u6m s PHE 169 CO 0.00 -0.71 -0.13 0.15 0.70 0.00 0.00 175.22 175.23 1u6m s LYS 170 N -2.55 0.92 0.27 0.44 1.02 -0.48 -4.19 119.74 115.17 1u6m s LYS 170 Ca 0.59 -0.57 -0.31 0.00 0.02 0.00 0.00 55.97 55.70 1u6m s LYS 170 Cb -0.22 -0.90 -0.12 0.00 -0.52 0.00 0.00 37.83 36.07 1u6m s LYS 170 CO 0.28 0.24 1.61 -0.25 -0.92 0.00 0.00 175.35 176.30 1u6m n ASP 171 N 2.36 3.83 -0.01 2.83 8.00 -1.26 -0.97 116.55 131.32 1u6m n ASP 171 Ca -0.16 1.13 -0.04 0.00 0.71 0.00 0.00 54.79 56.44 1u6m n ASP 171 Cb 0.55 -1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.06 1u6m n ASP 171 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1u6m n VAL 172 N 2.48 0.27 -3.37 2.53 0.31 -0.21 -4.90 118.33 115.44 1u6m n VAL 172 Ca 0.10 -0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 1u6m n VAL 172 Cb 0.36 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1u6m n VAL 172 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1u6m n THR 173 N -3.19 0.00 -4.32 2.52 -2.24 -1.16 -5.04 114.28 100.86 1u6m n THR 173 Ca -0.06 -0.38 -0.19 0.00 -2.27 0.00 0.00 64.05 61.15 1u6m n THR 173 Cb 0.51 0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.93 1u6m n THR 173 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1u6m s THR 174 N -2.68 1.01 0.02 4.28 2.01 -1.26 -1.11 115.64 117.91 1u6m s THR 174 Ca 0.06 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 1u6m s THR 174 Cb -0.01 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1u6m s THR 174 CO 0.04 -0.02 -0.03 -0.04 -0.69 0.00 0.00 174.62 173.89 1u6m s MET 175 N -1.11 0.29 -0.22 4.92 -1.94 -0.83 -4.91 119.30 115.51 1u6m s MET 175 Ca 0.00 -0.55 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1u6m s MET 175 Cb -0.08 0.10 -0.00 0.00 2.01 0.00 0.00 34.83 36.86 1u6m s MET 175 CO 0.01 -0.05 -0.06 0.99 -0.01 0.00 0.00 175.02 175.90 1u6m s THR 176 N -1.33 3.22 -0.02 2.05 2.01 -1.26 -0.80 115.64 119.50 1u6m s THR 176 Ca -0.15 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1u6m s THR 176 Cb -0.09 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 69.99 1u6m s THR 176 CO -0.01 0.43 0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 1u6m s ILE 177 N 1.46 0.09 -1.12 1.82 1.01 -0.52 -4.81 121.20 119.14 1u6m s ILE 177 Ca 0.06 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 1u6m s ILE 177 Cb -0.14 -0.20 0.04 0.00 0.01 0.00 0.00 42.46 42.18 1u6m s ILE 177 CO -0.04 0.12 0.29 -1.20 0.00 0.00 0.00 174.94 174.11 1u6m n SER 178 N 4.08 -3.58 0.00 3.58 7.64 -1.26 -0.85 113.62 123.23 1u6m n SER 178 Ca -0.27 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1u6m n SER 178 Cb 0.51 -3.01 0.00 0.00 -1.01 0.00 0.00 64.21 60.70 1u6m n SER 178 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u6m n GLY 179 N -1.00 0.34 3.62 0.23 0.00 -1.26 -5.02 105.19 102.10 1u6m n GLY 179 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1u6m n GLY 179 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u6m s HIS 180 N -1.69 2.78 0.03 1.61 3.76 -0.03 -5.13 115.29 116.61 1u6m s HIS 180 Ca 0.00 -0.16 -0.15 0.00 -0.15 0.00 0.00 55.06 54.60 1u6m s HIS 180 Cb 0.00 -1.37 -0.06 0.00 1.11 0.00 0.00 32.58 32.26 1u6m s HIS 180 CO 0.00 0.50 0.44 -0.51 -0.85 0.00 0.00 174.74 174.32 1u6m s LEU 181 N -2.74 4.47 0.02 0.89 1.43 -1.26 -1.43 118.68 120.05 1u6m s LEU 181 Ca 0.26 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 1u6m s LEU 181 Cb -0.10 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 1u6m s LEU 181 CO 0.17 0.29 -0.10 -0.31 0.23 0.00 0.00 176.35 176.63 1u6m s TYR 182 N -1.13 0.88 -0.23 0.29 1.51 0.01 -0.91 117.35 117.78 1u6m s TYR 182 Ca 0.26 -0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 55.82 1u6m s TYR 182 Cb -0.17 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1u6m s TYR 182 CO 0.15 -0.01 0.68 -0.80 -1.11 0.00 0.00 175.55 174.46 1u6m s ASN 183 N -0.81 6.69 -0.32 2.29 -0.87 0.36 -1.96 114.94 120.32 1u6m s ASN 183 Ca -0.00 0.85 -0.20 0.00 -1.57 0.00 0.00 52.86 51.93 1u6m s ASN 183 Cb -0.06 -2.37 -0.01 0.00 -0.02 0.00 0.00 41.25 38.79 1u6m s ASN 183 CO 0.00 -0.37 0.63 -2.28 -2.57 0.00 0.00 177.10 172.51 1u6m s HIS 184 N 2.35 3.20 0.20 2.20 2.46 -0.27 -1.11 115.29 124.32 1u6m s HIS 184 Ca 0.30 0.52 0.11 0.00 0.47 0.00 0.00 55.06 56.45 1u6m s HIS 184 Cb -0.16 -3.02 -0.04 0.00 -0.13 0.00 0.00 32.58 29.23 1u6m s HIS 184 CO 0.09 -0.51 -0.23 -1.64 -2.47 0.00 0.00 174.74 169.98 1u6m s MET 185 N 2.63 1.51 0.02 2.88 -1.94 -0.21 -1.05 119.30 123.15 1u6m s MET 185 Ca 0.25 -1.54 0.01 0.00 -1.71 0.00 0.00 55.69 52.70 1u6m s MET 185 Cb -0.15 -1.80 -0.01 0.00 2.01 0.00 0.00 34.83 34.88 1u6m s MET 185 CO 0.13 0.38 -0.04 -0.65 -0.01 0.00 0.00 175.02 174.83 1u6m s GLN 186 N -2.74 0.32 -0.16 2.03 -0.21 -0.15 -1.02 119.66 117.73 1u6m s GLN 186 Ca 0.21 -0.47 -0.01 0.00 0.02 0.00 0.00 55.36 55.12 1u6m s GLN 186 Cb -0.08 -0.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.83 1u6m s GLN 186 CO 0.10 0.01 -0.13 0.21 -2.12 0.00 0.00 175.29 173.36 1u6m s LYS 187 N -1.01 3.28 0.27 2.91 2.20 0.62 -1.39 119.74 126.62 1u6m s LYS 187 Ca -0.09 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 1u6m s LYS 187 Cb -0.07 -2.69 -0.11 0.00 -1.51 0.00 0.00 37.83 33.45 1u6m s LYS 187 CO -0.00 0.02 1.58 -1.83 -0.36 0.00 0.00 175.35 174.76 1u6m s GLU 188 N 0.82 4.15 -0.00 4.03 4.04 -1.26 -1.06 118.70 129.42 1u6m s GLU 188 Ca -0.04 2.52 0.02 0.00 0.04 0.00 0.00 54.97 57.50 1u6m s GLU 188 Cb -0.15 -3.05 -0.03 0.00 0.02 0.00 0.00 34.13 30.92 1u6m s GLU 188 CO 0.00 -0.61 0.05 1.33 -1.84 0.00 0.00 175.26 174.19 1u6m n VAL 189 N 2.52 0.00 0.00 1.83 0.24 -0.47 -4.87 118.33 117.58 1u6m n VAL 189 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1u6m n VAL 189 Cb 0.38 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1u6m n VAL 189 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07