#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkg s ARG 2 N 0.00 2.64 0.00 2.12 0.52 -1.26 -5.10 118.95 117.87 1bkg s ARG 2 Ca 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1bkg s ARG 2 Cb 0.00 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.78 1bkg s ARG 2 CO 0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.27 1bkg n GLY 3 N -1.95 4.36 3.84 -3.53 0.00 -1.26 -5.12 105.19 101.53 1bkg n GLY 3 Ca 0.10 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 1bkg n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkg s LEU 4 N 0.00 3.45 0.78 0.99 1.43 -1.26 -5.04 118.68 119.03 1bkg s LEU 4 Ca 0.00 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1bkg s LEU 4 Cb 0.00 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.78 1bkg s LEU 4 CO 0.00 -0.81 1.09 -0.94 0.23 0.00 0.00 176.35 175.91 1bkg s SER 5 N -3.41 4.53 0.21 2.29 1.04 -1.26 -4.92 113.70 112.18 1bkg s SER 5 Ca 0.58 1.71 -0.01 0.00 0.48 0.00 0.00 55.95 58.71 1bkg s SER 5 Cb -0.11 -2.44 0.16 0.00 0.10 0.00 0.00 66.02 63.72 1bkg s SER 5 CO 0.40 -2.00 1.52 -0.09 0.98 0.00 0.00 173.24 174.06 1bkg h ARG 6 N -1.10 0.45 -0.55 4.02 2.43 -1.98 -2.33 114.38 115.31 1bkg h ARG 6 Ca -0.45 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 58.37 1bkg h ARG 6 Cb 1.24 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1bkg h ARG 6 CO 0.53 0.90 0.08 0.07 -1.51 0.00 0.00 179.97 180.04 1bkg h ARG 7 N 0.34 0.92 0.00 0.20 0.11 -1.97 -1.19 114.38 112.79 1bkg h ARG 7 Ca 0.00 -0.25 -0.11 0.00 0.10 0.00 0.00 59.98 59.73 1bkg h ARG 7 Cb 1.10 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 1bkg h ARG 7 CO 0.10 0.89 -0.50 -0.24 0.10 0.00 0.00 179.97 180.31 1bkg h VAL 8 N 0.81 1.13 0.00 0.08 3.04 -1.94 -2.27 116.25 117.10 1bkg h VAL 8 Ca 0.17 -1.89 -0.09 0.00 -1.01 0.00 0.00 66.70 63.88 1bkg h VAL 8 Cb 0.42 2.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 1bkg h VAL 8 CO 0.01 0.49 -0.42 1.56 -1.01 0.00 0.00 177.57 178.20 1bkg h GLN 9 N 0.00 0.00 0.00 4.17 4.20 -1.09 -3.20 115.11 119.19 1bkg h GLN 9 Ca -0.01 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 1bkg h GLN 9 Cb 1.05 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.79 1bkg h GLN 9 CO 0.07 0.42 -1.20 0.00 -0.67 0.00 0.00 178.83 177.45 1bkg h ALA 10 N 1.58 0.50 -2.83 3.87 0.00 -0.93 -3.47 119.26 117.97 1bkg h ALA 10 Ca -0.00 -1.06 -0.52 0.00 0.00 0.00 0.00 54.91 53.33 1bkg h ALA 10 Cb 1.03 0.05 0.06 0.00 0.00 0.00 0.00 17.79 18.92 1bkg h ALA 10 CO 0.06 1.32 0.64 1.41 0.00 0.00 0.00 179.25 182.67 1bkg s MET 11 N -2.69 4.38 -0.25 0.00 -2.45 -0.88 -5.03 119.30 112.38 1bkg s MET 11 Ca -0.01 2.17 -0.12 0.00 -1.25 0.00 0.00 55.69 56.48 1bkg s MET 11 Cb 0.09 -3.10 -0.05 0.00 1.25 0.00 0.00 34.83 33.02 1bkg s MET 11 CO 0.82 -0.18 0.22 0.15 1.05 0.00 0.00 175.02 177.07 1bkg s LYS 12 N -1.41 4.06 0.50 4.11 1.02 -1.26 -5.00 119.74 121.75 1bkg s LYS 12 Ca 0.50 -0.19 -0.21 0.00 0.02 0.00 0.00 55.97 56.10 1bkg s LYS 12 Cb -0.39 -3.57 -0.07 0.00 -0.52 0.00 0.00 37.83 33.28 1bkg s LYS 12 CO 0.49 -0.03 1.12 -1.25 -0.92 0.00 0.00 175.35 174.76 1bkg s PRO 13 N 1.32 3.62 -0.38 -1.68 0.04 -1.26 -4.82 135.00 131.84 1bkg s PRO 13 Ca 0.10 1.62 -0.36 0.00 0.04 0.00 0.00 61.00 62.40 1bkg s PRO 13 Cb -0.14 -2.19 -0.15 0.00 0.04 0.00 0.00 34.50 32.05 1bkg s PRO 13 CO 0.07 -0.63 1.32 0.45 0.04 0.00 0.00 177.00 178.25 1bkg n SER 14 N -0.89 0.85 0.03 6.66 2.88 -1.26 -4.87 113.62 117.02 1bkg n SER 14 Ca 0.09 0.83 -0.11 0.00 -1.33 0.00 0.00 58.87 58.35 1bkg n SER 14 Cb 0.50 -0.68 0.02 0.00 -0.75 0.00 0.00 64.21 63.30 1bkg n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bkg h ALA 15 N 4.51 0.57 -0.44 -1.46 0.00 -1.94 -1.86 119.26 118.65 1bkg h ALA 15 Ca -0.28 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 53.91 1bkg h ALA 15 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1bkg h ALA 15 CO 0.77 0.73 -0.27 1.79 0.00 0.00 0.00 179.25 182.27 1bkg h THR 16 N 0.36 1.27 -0.48 0.00 1.35 -1.99 -1.46 112.91 111.97 1bkg h THR 16 Ca -0.02 -1.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 1bkg h THR 16 Cb 1.27 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 1bkg h THR 16 CO 0.13 0.49 0.24 0.58 -0.25 0.00 0.00 175.52 176.71 1bkg h VAL 17 N 0.80 1.18 -0.20 6.82 2.07 -1.93 -2.46 116.25 122.53 1bkg h VAL 17 Ca 0.09 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1bkg h VAL 17 Cb 0.86 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1bkg h VAL 17 CO 0.08 0.20 0.13 0.00 0.02 0.00 0.00 177.57 177.99 1bkg h ALA 18 N 1.09 0.26 0.00 1.67 0.00 -1.14 -2.35 119.26 118.78 1bkg h ALA 18 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bkg h ALA 18 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bkg h ALA 18 CO -0.02 -0.25 -0.15 -0.39 0.00 0.00 0.00 179.25 178.44 1bkg h VAL 19 N 0.25 0.47 -0.15 0.00 -1.51 -1.18 -2.54 116.25 111.59 1bkg h VAL 19 Ca 0.07 -0.76 -0.18 0.00 -1.23 0.00 0.00 66.70 64.60 1bkg h VAL 19 Cb 0.00 1.53 0.01 0.00 -2.13 0.00 0.00 31.29 30.70 1bkg h VAL 19 CO -0.01 0.14 -0.62 0.78 -1.23 0.00 0.00 177.57 176.63 1bkg h ASN 20 N 0.00 0.80 -0.64 4.19 2.35 -1.12 -2.45 115.58 118.71 1bkg h ASN 20 Ca -0.00 -0.62 -0.01 0.00 -0.55 0.00 0.00 56.30 55.12 1bkg h ASN 20 Cb 0.52 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1bkg h ASN 20 CO 0.02 1.29 0.38 0.00 -1.65 0.00 0.00 177.43 177.47 1bkg h ALA 21 N 0.54 0.82 -0.37 -0.83 0.00 -1.06 -0.77 119.26 117.58 1bkg h ALA 21 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1bkg h ALA 21 Cb 1.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1bkg h ALA 21 CO 0.13 0.30 0.17 -0.22 0.00 0.00 0.00 179.25 179.63 1bkg h LYS 22 N 0.87 0.54 0.00 0.00 3.11 -1.46 0.16 116.57 119.78 1bkg h LYS 22 Ca 0.23 -0.08 -0.08 0.00 -2.81 0.00 0.00 60.65 57.91 1bkg h LYS 22 Cb -0.01 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.11 1bkg h LYS 22 CO -0.04 0.48 -0.37 0.00 -2.81 0.00 0.00 179.45 176.71 1bkg h ALA 23 N 1.02 1.27 0.11 5.00 0.00 -1.26 -1.36 119.26 124.05 1bkg h ALA 23 Ca 0.13 -0.34 -0.28 0.00 0.00 0.00 0.00 54.91 54.42 1bkg h ALA 23 Cb 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1bkg h ALA 23 CO -0.02 0.46 -1.20 1.25 0.00 0.00 0.00 179.25 179.74 1bkg h LEU 24 N 0.00 0.67 -0.79 0.00 5.85 -0.71 -3.17 115.31 117.17 1bkg h LEU 24 Ca -0.00 -0.64 -0.13 0.00 0.84 0.00 0.00 57.88 57.95 1bkg h LEU 24 Cb 0.71 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1bkg h LEU 24 CO 0.05 1.46 -0.59 1.05 -0.34 0.00 0.00 178.44 180.08 1bkg h GLU 25 N 0.20 0.06 -0.32 1.25 4.11 -0.45 -2.93 114.58 116.50 1bkg h GLU 25 Ca -0.16 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.16 1bkg h GLU 25 Cb 1.88 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 1bkg h GLU 25 CO 0.22 0.63 -0.12 -0.07 0.07 0.00 0.00 179.01 179.74 1bkg h LEU 26 N 0.05 0.53 -1.02 3.06 3.38 -1.30 -2.32 115.31 117.69 1bkg h LEU 26 Ca -0.01 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1bkg h LEU 26 Cb 1.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1bkg h LEU 26 CO 0.08 0.69 -0.34 0.03 0.09 0.00 0.00 178.44 178.99 1bkg h ARG 27 N 0.50 0.00 -0.11 1.13 3.08 -1.49 -1.77 114.38 115.73 1bkg h ARG 27 Ca 0.09 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.98 1bkg h ARG 27 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1bkg h ARG 27 CO 0.03 0.34 -0.63 0.00 -1.07 0.00 0.00 179.97 178.64 1bkg h ARG 28 N 0.00 0.42 0.00 0.04 2.47 -1.33 -1.76 114.38 114.22 1bkg h ARG 28 Ca -0.00 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1bkg h ARG 28 Cb 0.84 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1bkg h ARG 28 CO 0.04 0.92 0.00 1.04 0.56 0.00 0.00 179.97 182.53 1bkg n GLN 29 N -3.89 0.33 -0.68 0.04 1.13 -0.83 -4.78 117.38 108.69 1bkg n GLN 29 Ca -0.03 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1bkg n GLN 29 Cb 0.65 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.50 1bkg n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bkg n GLY 30 N -0.25 0.77 3.75 1.08 0.00 -0.66 -5.01 105.19 104.87 1bkg n GLY 30 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1bkg n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bkg s VAL 31 N -2.82 2.99 -0.77 1.61 1.01 -0.73 -4.95 120.40 116.74 1bkg s VAL 31 Ca 0.00 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 62.68 1bkg s VAL 31 Cb 0.00 -3.57 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1bkg s VAL 31 CO 0.00 0.17 0.95 -0.62 0.00 0.00 0.00 175.10 175.60 1bkg s ASP 32 N -0.07 6.41 0.04 3.32 2.15 -1.26 -4.24 116.67 123.02 1bkg s ASP 32 Ca 0.53 -1.66 0.03 0.00 0.43 0.00 0.00 52.55 51.88 1bkg s ASP 32 Cb -0.38 -2.37 -0.02 0.00 -0.30 0.00 0.00 42.92 39.85 1bkg s ASP 32 CO 0.44 -1.14 -0.09 -1.48 -0.17 0.00 0.00 175.17 172.73 1bkg s LEU 33 N 2.87 2.23 -0.28 -1.34 0.05 -1.26 -4.71 118.68 116.23 1bkg s LEU 33 Ca 0.24 -0.50 -0.13 0.00 0.05 0.00 0.00 54.13 53.78 1bkg s LEU 33 Cb -0.13 -0.27 -0.04 0.00 -2.05 0.00 0.00 46.19 43.70 1bkg s LEU 33 CO -0.00 -0.14 0.29 -0.69 -0.55 0.00 0.00 176.35 175.26 1bkg s VAL 34 N -1.18 5.24 -0.25 1.48 1.01 -0.07 -4.98 120.40 121.65 1bkg s VAL 34 Ca -0.06 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 1bkg s VAL 34 Cb -0.09 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1bkg s VAL 34 CO 0.01 0.16 0.49 0.00 0.00 0.00 0.00 175.10 175.76 1bkg s ALA 35 N 1.91 3.58 -0.26 5.51 0.00 -1.26 -1.18 121.76 130.06 1bkg s ALA 35 Ca 0.11 -0.61 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1bkg s ALA 35 Cb -0.16 -2.84 0.45 0.00 0.00 0.00 0.00 23.12 20.57 1bkg s ALA 35 CO 0.11 -0.67 1.31 1.28 0.00 0.00 0.00 175.76 177.78 1bkg n LEU 36 N 5.38 3.61 -0.01 0.00 4.77 -0.44 -4.65 117.00 125.65 1bkg n LEU 36 Ca -0.05 -4.02 0.11 0.00 -0.03 0.00 0.00 56.01 52.01 1bkg n LEU 36 Cb 0.50 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 1bkg n LEU 36 CO 0.40 1.49 -0.52 0.35 -1.33 0.00 0.00 177.39 177.78 1bkg n THR 37 N -1.05 0.00 -1.73 -5.08 -2.24 -1.24 -1.33 114.28 101.61 1bkg n THR 37 Ca 0.28 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1bkg n THR 37 Cb 0.84 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 1bkg n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bkg n ALA 38 N -2.00 1.74 -1.82 6.98 0.00 -1.26 -4.93 120.51 119.22 1bkg n ALA 38 Ca -0.01 0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 1bkg n ALA 38 Cb 0.48 -2.32 0.12 0.00 0.00 0.00 0.00 19.45 17.73 1bkg n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 39 N 0.78 5.48 3.09 0.00 0.00 -1.26 -4.72 105.19 108.56 1bkg n GLY 39 Ca 0.04 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1bkg n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bkg s GLU 40 N -3.31 0.36 0.54 1.61 -1.05 -1.26 -5.03 118.70 110.57 1bkg s GLU 40 Ca 0.43 -0.09 -0.20 0.00 -0.15 0.00 0.00 54.97 54.96 1bkg s GLU 40 Cb 0.39 0.16 -0.07 0.00 -0.44 0.00 0.00 34.13 34.16 1bkg s GLU 40 CO -0.03 -0.08 0.93 -2.30 0.95 0.00 0.00 175.26 174.74 1bkg n PRO 41 N 2.16 1.01 0.09 -4.83 -0.02 -1.26 -4.89 135.00 127.26 1bkg n PRO 41 Ca -0.18 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1bkg n PRO 41 Cb 0.57 -2.08 0.14 0.00 -0.02 0.00 0.00 33.50 32.11 1bkg n PRO 41 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1bkg h ASP 42 N 0.79 0.00 -4.09 2.55 2.03 -1.99 -3.46 116.42 112.26 1bkg h ASP 42 Ca -0.47 -0.12 -0.48 0.00 -0.73 0.00 0.00 57.03 55.22 1bkg h ASP 42 Cb 1.36 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 39.91 1bkg h ASP 42 CO 0.52 0.06 0.40 -0.36 -1.03 0.00 0.00 179.24 178.84 1bkg s PHE 43 N -3.22 2.86 0.72 4.15 0.08 -1.26 -5.04 117.98 116.28 1bkg s PHE 43 Ca 0.05 1.56 -0.08 0.00 0.12 0.00 0.00 56.93 58.58 1bkg s PHE 43 Cb 0.12 -3.15 0.06 0.00 -0.57 0.00 0.00 43.02 39.48 1bkg s PHE 43 CO 0.72 -1.14 1.05 0.34 -0.10 0.00 0.00 175.22 176.09 1bkg s ASP 44 N -1.95 4.81 0.26 1.36 -1.08 -1.26 -4.86 116.67 113.94 1bkg s ASP 44 Ca 0.69 0.57 -0.30 0.00 -0.52 0.00 0.00 52.55 52.99 1bkg s ASP 44 Cb -0.19 -1.20 -0.09 0.00 -1.46 0.00 0.00 42.92 39.97 1bkg s ASP 44 CO 0.24 -1.63 1.12 0.42 0.52 0.00 0.00 175.17 175.83 1bkg s THR 45 N -3.31 3.52 0.52 1.71 -4.23 -1.24 -4.83 115.64 107.78 1bkg s THR 45 Ca 0.60 1.47 -0.20 0.00 -1.18 0.00 0.00 61.69 62.38 1bkg s THR 45 Cb -0.11 -3.94 -0.09 0.00 1.34 0.00 0.00 72.50 69.71 1bkg s THR 45 CO 0.46 0.32 0.77 -0.81 -0.54 0.00 0.00 174.62 174.82 1bkg n PRO 46 N 1.50 0.84 -0.31 3.99 -0.04 -1.26 -4.81 135.00 134.92 1bkg n PRO 46 Ca 0.00 0.32 0.02 0.00 -0.04 0.00 0.00 63.50 63.79 1bkg n PRO 46 Cb 0.45 -1.89 0.15 0.00 -0.04 0.00 0.00 33.50 32.18 1bkg n PRO 46 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bkg h GLU 47 N 0.73 0.92 -0.68 0.54 4.39 -1.99 -2.37 114.58 116.10 1bkg h GLU 47 Ca -0.45 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.28 1bkg h GLU 47 Cb 1.37 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 1bkg h GLU 47 CO 0.51 0.61 0.45 1.12 -1.16 0.00 0.00 179.01 180.54 1bkg h HIS 48 N 0.94 0.61 -0.30 4.33 2.07 -1.98 0.95 115.15 121.78 1bkg h HIS 48 Ca 0.39 0.02 -0.16 0.00 -2.85 0.00 0.00 60.37 57.77 1bkg h HIS 48 Cb 0.23 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 30.02 1bkg h HIS 48 CO -0.03 0.29 -0.43 0.28 -3.07 0.00 0.00 177.93 174.96 1bkg h VAL 49 N 0.57 1.29 -0.53 6.12 2.07 -1.75 -1.91 116.25 122.11 1bkg h VAL 49 Ca 0.31 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 1bkg h VAL 49 Cb 0.46 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1bkg h VAL 49 CO -0.10 0.53 0.09 0.11 0.02 0.00 0.00 177.57 178.22 1bkg h LYS 50 N 0.59 0.84 -0.59 1.57 1.57 -0.88 -2.32 116.57 117.34 1bkg h LYS 50 Ca 0.03 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1bkg h LYS 50 Cb 1.03 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1bkg h LYS 50 CO 0.10 0.78 0.09 0.93 -0.57 0.00 0.00 179.45 180.78 1bkg h GLU 51 N 0.80 0.99 -0.23 3.15 4.39 -0.68 -0.55 114.58 122.46 1bkg h GLU 51 Ca 0.17 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1bkg h GLU 51 Cb 0.35 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1bkg h GLU 51 CO 0.01 0.94 0.07 0.00 -1.16 0.00 0.00 179.01 178.86 1bkg h ALA 52 N 1.01 1.69 -0.13 3.43 0.00 -1.00 0.11 119.26 124.38 1bkg h ALA 52 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1bkg h ALA 52 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1bkg h ALA 52 CO 0.01 0.24 -0.23 0.00 0.00 0.00 0.00 179.25 179.28 1bkg h ALA 53 N 1.76 0.20 -0.47 0.00 0.00 -0.85 -2.14 119.26 117.76 1bkg h ALA 53 Ca 0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1bkg h ALA 53 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bkg h ALA 53 CO -0.01 0.16 0.11 0.00 0.00 0.00 0.00 179.25 179.52 1bkg h ARG 54 N -0.03 0.71 -0.42 0.00 3.08 -0.31 -0.64 114.38 116.77 1bkg h ARG 54 Ca 0.01 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1bkg h ARG 54 Cb 0.81 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1bkg h ARG 54 CO 0.05 0.65 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.34 1bkg h ARG 55 N 0.69 0.79 -0.31 0.04 2.43 -0.77 -1.54 114.38 115.71 1bkg h ARG 55 Ca 0.15 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1bkg h ARG 55 Cb 0.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1bkg h ARG 55 CO -0.00 0.91 -0.12 0.00 -1.51 0.00 0.00 179.97 179.25 1bkg h ALA 56 N 1.10 0.43 -0.37 2.80 0.00 -0.68 -1.49 119.26 121.05 1bkg h ALA 56 Ca 0.11 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1bkg h ALA 56 Cb 0.67 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1bkg h ALA 56 CO 0.05 0.31 0.09 -0.07 0.00 0.00 0.00 179.25 179.63 1bkg h LEU 57 N 0.39 0.05 -1.11 0.00 3.38 -0.95 -1.98 115.31 115.10 1bkg h LEU 57 Ca 0.07 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1bkg h LEU 57 Cb 0.64 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1bkg h LEU 57 CO 0.04 0.07 -0.16 0.00 0.09 0.00 0.00 178.44 178.47 1bkg h ALA 58 N 1.27 1.26 -0.05 1.53 0.00 -1.17 -2.61 119.26 119.48 1bkg h ALA 58 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bkg h ALA 58 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bkg h ALA 58 CO -0.21 0.49 0.00 1.04 0.00 0.00 0.00 179.25 180.56 1bkg n GLN 59 N -4.19 1.20 -2.22 0.00 6.02 -0.57 -4.91 117.38 112.70 1bkg n GLN 59 Ca 0.00 -0.30 -0.12 0.00 -0.01 0.00 0.00 57.00 56.57 1bkg n GLN 59 Cb 0.34 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 1bkg n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bkg n GLY 60 N 0.84 -0.12 2.77 1.08 0.00 -0.97 -4.92 105.19 103.87 1bkg n GLY 60 Ca 0.12 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1bkg n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bkg n LYS 61 N -2.14 3.62 -0.05 1.61 5.02 -0.80 -4.50 118.16 120.91 1bkg n LYS 61 Ca -0.14 -3.30 0.04 0.00 -2.02 0.00 0.00 58.31 52.89 1bkg n LYS 61 Cb 0.61 -2.94 0.06 0.00 -0.02 0.00 0.00 35.03 32.73 1bkg n LYS 61 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bkg n THR 62 N 3.43 1.29 -2.79 -0.18 -2.24 -1.26 -4.12 114.28 108.40 1bkg n THR 62 Ca 0.46 -1.45 -0.20 0.00 -2.27 0.00 0.00 64.05 60.59 1bkg n THR 62 Cb 0.35 0.21 0.05 0.00 -2.10 0.00 0.00 70.33 68.84 1bkg n THR 62 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bkg s LYS 63 N -1.71 2.33 0.38 -0.78 -0.14 -1.26 -4.99 119.74 113.56 1bkg s LYS 63 Ca 0.14 -1.15 -0.28 0.00 -1.36 0.00 0.00 55.97 53.31 1bkg s LYS 63 Cb 0.12 -2.54 -0.11 0.00 -1.68 0.00 0.00 37.83 33.62 1bkg s LYS 63 CO 0.01 -0.84 1.47 0.71 -0.76 0.00 0.00 175.35 175.94 1bkg s TYR 64 N -2.75 2.62 0.24 3.18 2.02 -1.26 -4.70 117.35 116.70 1bkg s TYR 64 Ca 0.60 1.19 0.06 0.00 -0.37 0.00 0.00 57.07 58.55 1bkg s TYR 64 Cb -0.08 -3.99 -0.03 0.00 -0.40 0.00 0.00 41.96 37.46 1bkg s TYR 64 CO 0.39 -2.89 0.27 0.00 -1.57 0.00 0.00 175.55 171.74 1bkg s ALA 65 N -1.13 3.75 0.70 3.71 0.00 -1.26 -5.09 121.76 122.44 1bkg s ALA 65 Ca 0.53 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1bkg s ALA 65 Cb -0.46 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1bkg s ALA 65 CO 0.62 0.27 1.22 -2.14 0.00 0.00 0.00 175.76 175.73 1bkg s PRO 66 N -3.84 2.34 0.40 0.00 0.02 -1.26 -4.52 135.00 128.14 1bkg s PRO 66 Ca 0.33 1.81 0.17 0.00 0.02 0.00 0.00 61.00 63.33 1bkg s PRO 66 Cb -0.09 -1.85 1.07 0.00 0.02 0.00 0.00 34.50 33.66 1bkg s PRO 66 CO 0.27 -1.69 1.80 -1.35 -0.33 0.00 0.00 177.00 175.70 1bkg h PRO 67 N 0.02 0.41 -0.00 5.54 0.11 -1.89 0.11 132.00 136.30 1bkg h PRO 67 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1bkg h PRO 67 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1bkg h PRO 67 CO 0.51 0.27 -0.42 0.00 -0.21 0.00 0.00 178.00 178.15 1bkg n ALA 68 N -2.48 3.37 0.00 -0.75 0.00 -1.26 -4.73 120.51 114.66 1bkg n ALA 68 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1bkg n ALA 68 Cb 0.80 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1bkg n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 69 N 1.49 2.97 3.75 0.00 0.00 0.38 -1.13 105.19 112.66 1bkg n GLY 69 Ca 0.06 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1bkg n GLY 69 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bkg s ILE 70 N -2.93 2.24 0.30 -0.61 -4.36 -1.26 -4.39 121.20 110.19 1bkg s ILE 70 Ca 0.00 0.21 0.06 0.00 -0.26 0.00 0.00 60.65 60.66 1bkg s ILE 70 Cb 0.00 -3.13 0.30 0.00 1.25 0.00 0.00 42.46 40.88 1bkg s ILE 70 CO 0.00 0.04 1.68 -0.65 0.24 0.00 0.00 174.94 176.25 1bkg h PRO 71 N 4.63 0.35 -0.67 0.37 0.11 -1.97 -0.27 132.00 134.55 1bkg h PRO 71 Ca -0.47 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1bkg h PRO 71 Cb 1.22 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1bkg h PRO 71 CO 0.77 0.23 0.40 0.93 -0.21 0.00 0.00 178.00 180.11 1bkg h GLU 72 N 0.36 0.73 -0.25 1.05 3.07 -2.00 -0.89 114.58 116.65 1bkg h GLU 72 Ca 0.61 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 59.27 1bkg h GLU 72 Cb 1.22 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1bkg h GLU 72 CO -0.57 0.48 -0.46 1.25 -1.40 0.00 0.00 179.01 178.32 1bkg h LEU 73 N 0.75 0.70 -1.14 1.33 6.46 -1.42 -2.58 115.31 119.42 1bkg h LEU 73 Ca 0.28 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 1bkg h LEU 73 Cb 0.10 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1bkg h LEU 73 CO -0.14 1.05 0.04 0.03 -0.62 0.00 0.00 178.44 178.79 1bkg h ARG 74 N 0.52 0.64 -0.32 1.25 3.08 -0.97 0.12 114.38 118.70 1bkg h ARG 74 Ca 0.03 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 1bkg h ARG 74 Cb 0.99 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1bkg h ARG 74 CO 0.09 0.63 -0.43 0.93 -1.07 0.00 0.00 179.97 180.12 1bkg h GLU 75 N 0.61 0.80 -0.04 0.04 5.08 -1.08 -0.99 114.58 119.00 1bkg h GLU 75 Ca 0.13 -0.44 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1bkg h GLU 75 Cb 0.33 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1bkg h GLU 75 CO 0.01 1.07 -0.51 0.00 -1.00 0.00 0.00 179.01 178.58 1bkg h ALA 76 N 0.87 1.09 -0.25 3.43 0.00 -1.11 -2.44 119.26 120.85 1bkg h ALA 76 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1bkg h ALA 76 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bkg h ALA 76 CO 0.10 0.65 -0.12 -0.07 0.00 0.00 0.00 179.25 179.80 1bkg h LEU 77 N 0.07 0.54 -0.87 0.00 4.07 -0.43 -0.10 115.31 118.59 1bkg h LEU 77 Ca -0.00 -0.41 0.05 0.00 0.08 0.00 0.00 57.88 57.61 1bkg h LEU 77 Cb 0.92 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 1bkg h LEU 77 CO 0.07 0.83 0.55 0.00 -1.08 0.00 0.00 178.44 178.81 1bkg h ALA 78 N 0.73 1.19 -0.46 1.53 0.00 -1.03 -0.87 119.26 120.35 1bkg h ALA 78 Ca 0.06 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1bkg h ALA 78 Cb 0.63 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1bkg h ALA 78 CO 0.04 0.33 -0.19 1.49 0.00 0.00 0.00 179.25 180.92 1bkg h GLU 79 N 1.02 0.90 -0.11 0.00 4.57 -1.21 -1.74 114.58 118.02 1bkg h GLU 79 Ca 0.37 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1bkg h GLU 79 Cb 0.13 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1bkg h GLU 79 CO -0.16 1.01 -0.07 -0.22 -1.18 0.00 0.00 179.01 178.40 1bkg h LYS 80 N 0.79 0.24 -0.28 1.92 3.11 -0.46 0.27 116.57 122.16 1bkg h LYS 80 Ca 0.11 -0.11 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1bkg h LYS 80 Cb 0.73 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1bkg h LYS 80 CO 0.06 0.60 -0.08 0.74 -2.81 0.00 0.00 179.45 177.96 1bkg h PHE 81 N -0.13 0.47 0.35 1.91 0.04 -1.17 0.40 116.94 118.82 1bkg h PHE 81 Ca 0.02 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1bkg h PHE 81 Cb 0.54 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1bkg h PHE 81 CO 0.07 0.53 -0.17 -0.09 -0.60 0.00 0.00 178.31 178.05 1bkg h ARG 82 N 0.42 -0.46 0.06 1.51 2.43 -1.27 -1.81 114.38 115.26 1bkg h ARG 82 Ca 0.08 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1bkg h ARG 82 Cb 0.41 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1bkg h ARG 82 CO 0.02 -0.25 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.11 1bkg h ARG 83 N -1.09 -0.08 0.00 0.20 2.43 -0.41 -2.26 114.38 113.16 1bkg h ARG 83 Ca -0.05 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.95 1bkg h ARG 83 Cb 0.42 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1bkg h ARG 83 CO 0.08 0.05 -1.02 0.93 -1.51 0.00 0.00 179.97 178.50 1bkg h GLU 84 N -0.19 0.00 0.00 0.20 5.08 -0.36 -3.41 114.58 115.90 1bkg h GLU 84 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bkg h GLU 84 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1bkg h GLU 84 CO 0.01 0.58 -0.48 0.09 -1.00 0.00 0.00 179.01 178.22 1bkg n ASN 85 N -3.15 1.38 0.00 1.42 5.03 -0.86 -5.01 115.26 114.07 1bkg n ASN 85 Ca -0.04 -0.41 0.00 0.00 0.87 0.00 0.00 54.58 55.00 1bkg n ASN 85 Cb 0.86 1.05 0.00 0.00 -1.02 0.00 0.00 39.78 40.67 1bkg n ASN 85 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bkg n GLY 86 N 1.45 0.74 3.75 7.41 0.00 -0.84 -4.52 105.19 113.19 1bkg n GLY 86 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1bkg n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkg s LEU 87 N 0.00 4.63 -0.83 0.99 1.02 -0.74 -4.80 118.68 118.95 1bkg s LEU 87 Ca 0.00 1.88 -0.02 0.00 0.02 0.00 0.00 54.13 56.01 1bkg s LEU 87 Cb 0.00 -3.54 0.32 0.00 0.02 0.00 0.00 46.19 42.99 1bkg s LEU 87 CO 0.00 0.16 2.08 -1.20 0.02 0.00 0.00 176.35 177.41 1bkg n SER 88 N 1.57 7.45 -4.92 2.29 7.64 -1.26 -3.28 113.62 123.11 1bkg n SER 88 Ca -0.03 -3.78 -0.27 0.00 1.01 0.00 0.00 58.87 55.81 1bkg n SER 88 Cb 0.47 -1.09 0.05 0.00 -1.01 0.00 0.00 64.21 62.63 1bkg n SER 88 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1bkg s VAL 89 N -4.78 3.13 0.31 0.44 -7.23 -1.26 -5.11 120.40 105.90 1bkg s VAL 89 Ca 0.52 -0.03 0.10 0.00 -1.81 0.00 0.00 61.98 60.75 1bkg s VAL 89 Cb 0.42 -3.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.01 1bkg s VAL 89 CO -0.38 -0.32 -0.13 0.42 -0.31 0.00 0.00 175.10 174.38 1bkg s THR 90 N -3.14 2.23 0.41 5.32 -4.23 -1.26 -4.91 115.64 110.06 1bkg s THR 90 Ca 0.57 -2.27 0.13 0.00 -1.18 0.00 0.00 61.69 58.94 1bkg s THR 90 Cb -0.11 -2.47 0.34 0.00 1.34 0.00 0.00 72.50 71.60 1bkg s THR 90 CO 0.46 -0.30 1.93 -0.65 -0.54 0.00 0.00 174.62 175.52 1bkg h PRO 91 N 2.17 0.49 0.00 3.99 0.11 -1.92 0.07 132.00 136.90 1bkg h PRO 91 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1bkg h PRO 91 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bkg h PRO 91 CO 0.66 0.32 0.00 0.93 -0.21 0.00 0.00 178.00 179.70 1bkg h GLU 92 N 0.50 0.00 -0.60 1.05 3.07 -1.96 -1.97 114.58 114.68 1bkg h GLU 92 Ca 0.35 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.89 1bkg h GLU 92 Cb 0.68 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.39 1bkg h GLU 92 CO -0.12 0.00 0.16 0.39 -1.40 0.00 0.00 179.01 178.04 1bkg n GLU 93 N -2.31 2.06 -4.20 2.33 1.02 0.01 -4.83 120.64 114.71 1bkg n GLU 93 Ca 0.01 -3.18 -0.18 0.00 -0.02 0.00 0.00 57.16 53.78 1bkg n GLU 93 Cb 0.16 -1.97 -0.12 0.00 -0.02 0.00 0.00 31.44 29.49 1bkg n GLU 93 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1bkg s THR 94 N -3.39 1.06 -0.07 2.62 2.01 -0.74 -2.45 115.64 114.69 1bkg s THR 94 Ca 0.50 -1.22 -0.14 0.00 0.31 0.00 0.00 61.69 61.14 1bkg s THR 94 Cb 0.44 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.96 1bkg s THR 94 CO 0.03 -0.19 0.34 -0.51 -0.69 0.00 0.00 174.62 173.61 1bkg s ILE 95 N -1.18 0.03 -0.13 1.82 2.07 -0.46 -4.98 121.20 118.37 1bkg s ILE 95 Ca -0.02 -0.24 -0.02 0.00 -1.41 0.00 0.00 60.65 58.96 1bkg s ILE 95 Cb -0.09 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 1bkg s ILE 95 CO 0.02 -0.13 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.16 1bkg s VAL 96 N -0.63 3.67 0.29 4.00 1.01 -0.28 -1.82 120.40 126.64 1bkg s VAL 96 Ca -0.07 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1bkg s VAL 96 Cb -0.04 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 1bkg s VAL 96 CO 0.03 0.53 0.07 0.42 0.00 0.00 0.00 175.10 176.14 1bkg s THR 97 N 0.08 0.91 -1.20 3.92 -4.23 0.49 -4.54 115.64 111.05 1bkg s THR 97 Ca -0.02 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 1bkg s THR 97 Cb -0.14 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1bkg s THR 97 CO 0.03 -0.02 1.96 0.52 -0.54 0.00 0.00 174.62 176.58 1bkg n VAL 98 N -0.57 2.92 0.00 2.29 0.31 -1.26 -0.46 118.33 121.55 1bkg n VAL 98 Ca -0.01 -2.80 0.00 0.00 -0.01 0.00 0.00 64.34 61.52 1bkg n VAL 98 Cb 0.66 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1bkg n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bkg n GLY 99 N 4.89 -0.98 0.26 2.92 0.00 -1.12 -3.80 105.19 107.36 1bkg n GLY 99 Ca 0.49 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 45.02 1bkg n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bkg h GLY 100 N 0.00 0.00 1.11 -0.02 0.00 -1.80 -2.81 103.07 99.55 1bkg h GLY 100 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1bkg h GLY 100 CO 0.00 0.00 0.32 1.70 0.00 0.00 0.00 176.54 178.56 1bkg h LYS 101 N 0.00 1.13 0.00 4.80 3.64 -1.92 -2.13 116.57 122.09 1bkg h LYS 101 Ca -0.00 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1bkg h LYS 101 Cb 0.41 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1bkg h LYS 101 CO 0.02 0.91 -0.13 0.37 -2.27 0.00 0.00 179.45 178.35 1bkg h GLN 102 N 1.11 0.00 -0.21 1.90 4.15 -1.59 -0.25 115.11 120.21 1bkg h GLN 102 Ca 0.26 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.64 1bkg h GLN 102 Cb 0.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1bkg h GLN 102 CO -0.02 0.13 -0.02 0.00 -1.93 0.00 0.00 178.83 176.98 1bkg h ALA 103 N 1.87 0.29 -0.26 3.38 0.00 -1.35 -0.84 119.26 122.34 1bkg h ALA 103 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1bkg h ALA 103 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1bkg h ALA 103 CO 0.02 0.04 -0.16 -0.07 0.00 0.00 0.00 179.25 179.07 1bkg h LEU 104 N 0.13 0.59 0.21 0.00 3.38 -1.20 -1.49 115.31 116.93 1bkg h LEU 104 Ca 0.06 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1bkg h LEU 104 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1bkg h LEU 104 CO 0.02 0.89 -0.10 0.15 0.09 0.00 0.00 178.44 179.49 1bkg h PHE 105 N 0.29 -0.26 -0.06 1.13 3.04 -1.03 -1.68 116.94 118.37 1bkg h PHE 105 Ca 0.05 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1bkg h PHE 105 Cb 0.69 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1bkg h PHE 105 CO 0.07 -0.13 -0.05 -0.91 -2.02 0.00 0.00 178.31 175.26 1bkg h ASN 106 N -0.32 0.07 0.69 0.41 -0.26 -1.19 -2.17 115.58 112.82 1bkg h ASN 106 Ca -0.03 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1bkg h ASN 106 Cb 0.25 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1bkg h ASN 106 CO 0.05 0.14 -0.34 0.25 -1.06 0.00 0.00 177.43 176.47 1bkg h LEU 107 N 0.08 -0.81 -1.28 1.61 6.46 -0.76 -2.09 115.31 118.52 1bkg h LEU 107 Ca 0.02 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.91 1bkg h LEU 107 Cb 0.15 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 1bkg h LEU 107 CO 0.01 -0.57 0.55 -0.26 -0.62 0.00 0.00 178.44 177.54 1bkg h PHE 108 N -0.94 0.85 0.00 1.25 0.04 -1.21 0.53 116.94 117.46 1bkg h PHE 108 Ca -0.10 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 1bkg h PHE 108 Cb 0.72 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1bkg h PHE 108 CO 0.06 0.38 -0.18 1.96 -0.60 0.00 0.00 178.31 179.93 1bkg h GLN 109 N 0.78 0.00 0.00 1.51 1.08 -1.33 -1.83 115.11 115.31 1bkg h GLN 109 Ca 0.40 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.56 1bkg h GLN 109 Cb 0.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1bkg h GLN 109 CO -0.16 0.18 -1.12 0.00 -0.95 0.00 0.00 178.83 176.78 1bkg n ALA 110 N -2.27 2.39 -0.02 3.87 0.00 0.10 -4.47 120.51 120.12 1bkg n ALA 110 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1bkg n ALA 110 Cb 0.32 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1bkg n ALA 110 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bkg n ILE 111 N -2.72 0.00 -3.81 0.00 -5.35 -0.73 -5.03 119.36 101.71 1bkg n ILE 111 Ca -0.02 -0.49 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 1bkg n ILE 111 Cb 0.62 1.02 -0.12 0.00 -1.74 0.00 0.00 39.64 39.41 1bkg n ILE 111 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bkg s LEU 112 N -0.67 3.49 0.10 7.28 1.43 -0.70 -5.04 118.68 124.55 1bkg s LEU 112 Ca 0.00 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1bkg s LEU 112 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1bkg s LEU 112 CO 0.00 -0.00 0.18 -1.81 0.23 0.00 0.00 176.35 174.95 1bkg s ASP 113 N 1.42 6.02 0.11 2.29 1.01 -1.26 -4.84 116.67 121.43 1bkg s ASP 113 Ca 0.05 0.12 -0.35 0.00 0.71 0.00 0.00 52.55 53.09 1bkg s ASP 113 Cb -0.15 -1.75 -0.15 0.00 1.01 0.00 0.00 42.92 41.88 1bkg s ASP 113 CO 0.04 0.13 1.51 -2.65 0.21 0.00 0.00 175.17 174.41 1bkg n PRO 114 N 0.09 1.76 0.00 8.23 -0.02 -1.26 -1.31 135.00 142.49 1bkg n PRO 114 Ca -0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1bkg n PRO 114 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1bkg n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bkg n GLY 115 N 3.14 2.25 3.76 -1.23 0.00 -0.13 -4.96 105.19 108.02 1bkg n GLY 115 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1bkg n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bkg s ASP 116 N -1.40 6.55 0.03 1.61 1.01 -0.43 -4.58 116.67 119.47 1bkg s ASP 116 Ca 0.00 2.84 -0.08 0.00 0.71 0.00 0.00 52.55 56.02 1bkg s ASP 116 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1bkg s ASP 116 CO 0.00 -0.73 0.31 -1.61 0.21 0.00 0.00 175.17 173.35 1bkg s GLU 117 N -1.40 3.65 -0.11 8.23 2.02 -0.52 -0.56 118.70 130.00 1bkg s GLU 117 Ca 0.54 0.02 -0.00 0.00 0.02 0.00 0.00 54.97 55.55 1bkg s GLU 117 Cb -0.43 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 30.76 1bkg s GLU 117 CO 0.53 0.62 -0.08 0.08 0.02 0.00 0.00 175.26 176.44 1bkg s VAL 118 N -1.32 1.04 -0.03 2.63 1.01 -0.39 -0.36 120.40 122.97 1bkg s VAL 118 Ca 0.29 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1bkg s VAL 118 Cb -0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1bkg s VAL 118 CO 0.17 0.37 0.94 -0.63 0.00 0.00 0.00 175.10 175.95 1bkg s ILE 119 N 1.70 4.88 -0.11 2.22 1.01 -0.48 -1.22 121.20 129.21 1bkg s ILE 119 Ca 0.05 1.96 0.02 0.00 0.00 0.00 0.00 60.65 62.68 1bkg s ILE 119 Cb -0.13 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.08 1bkg s ILE 119 CO -0.08 0.14 -0.16 -0.69 0.00 0.00 0.00 174.94 174.15 1bkg s VAL 120 N 1.18 1.55 -0.25 2.92 1.01 -0.11 -1.39 120.40 125.31 1bkg s VAL 120 Ca 0.49 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 1bkg s VAL 120 Cb -0.20 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1bkg s VAL 120 CO 0.25 0.45 0.79 -0.76 0.00 0.00 0.00 175.10 175.83 1bkg s LEU 121 N 0.90 4.08 0.07 3.92 1.43 -1.26 -1.96 118.68 125.87 1bkg s LEU 121 Ca -0.08 0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1bkg s LEU 121 Cb -0.15 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1bkg s LEU 121 CO -0.00 -0.49 0.27 -0.94 0.23 0.00 0.00 176.35 175.41 1bkg s SER 122 N 1.37 6.42 0.24 2.29 1.04 -0.87 -3.48 113.70 120.71 1bkg s SER 122 Ca 0.33 0.42 -0.31 0.00 0.48 0.00 0.00 55.95 56.87 1bkg s SER 122 Cb -0.15 -2.02 -0.11 0.00 0.10 0.00 0.00 66.02 63.83 1bkg s SER 122 CO 0.08 0.15 1.63 -2.84 0.98 0.00 0.00 173.24 173.24 1bkg s PRO 123 N -2.40 4.14 0.30 4.02 0.02 -1.26 -1.64 135.00 138.18 1bkg s PRO 123 Ca 0.35 2.55 0.11 0.00 0.02 0.00 0.00 61.00 64.02 1bkg s PRO 123 Cb -0.13 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 1bkg s PRO 123 CO 0.24 -0.66 -0.12 1.52 -0.33 0.00 0.00 177.00 177.66 1bkg s TYR 124 N 0.58 2.42 0.08 6.54 -0.85 -0.49 -4.62 117.35 121.00 1bkg s TYR 124 Ca 0.68 -0.35 -0.31 0.00 -0.52 0.00 0.00 57.07 56.57 1bkg s TYR 124 Cb -0.48 -1.16 -0.07 0.00 0.38 0.00 0.00 41.96 40.63 1bkg s TYR 124 CO 0.40 0.65 1.38 -0.46 -1.52 0.00 0.00 175.55 175.99 1bkg s TRP 125 N -2.50 3.12 0.18 -3.49 -0.00 -1.23 -4.44 118.94 110.60 1bkg s TRP 125 Ca 0.31 0.93 0.11 0.00 -0.00 0.00 0.00 56.10 57.45 1bkg s TRP 125 Cb -0.03 -3.66 0.66 0.00 -0.00 0.00 0.00 33.47 30.44 1bkg s TRP 125 CO 0.17 -2.34 0.76 0.28 -0.00 0.00 0.00 176.95 175.82 1bkg n VAL 126 N 4.17 -0.20 0.17 5.86 0.31 -1.26 -1.70 118.33 125.69 1bkg n VAL 126 Ca 0.12 0.97 0.08 0.00 -0.01 0.00 0.00 64.34 65.50 1bkg n VAL 126 Cb 0.43 -1.58 0.09 0.00 -0.91 0.00 0.00 33.84 31.87 1bkg n VAL 126 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bkg h SER 127 N 0.00 0.00 0.10 4.52 0.02 -1.93 -3.38 113.55 112.88 1bkg h SER 127 Ca 0.41 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1bkg h SER 127 Cb 1.12 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 1bkg h SER 127 CO -0.36 0.21 -0.28 1.88 -1.14 0.00 0.00 176.83 177.14 1bkg h TYR 128 N 0.00 -0.75 -0.81 3.45 0.05 -1.72 -0.27 116.97 116.93 1bkg h TYR 128 Ca -0.01 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1bkg h TYR 128 Cb 1.17 0.32 -0.05 0.00 1.01 0.00 0.00 36.73 39.18 1bkg h TYR 128 CO 0.00 -0.38 0.52 -1.35 -1.05 0.00 0.00 178.16 175.90 1bkg h PRO 129 N -0.49 0.99 -0.49 4.88 0.11 -1.78 -1.67 132.00 133.57 1bkg h PRO 129 Ca 0.03 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1bkg h PRO 129 Cb 0.52 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1bkg h PRO 129 CO -0.17 0.66 0.19 0.93 -0.21 0.00 0.00 178.00 179.39 1bkg h GLU 130 N 1.02 0.73 -0.50 1.05 4.39 -1.67 -2.16 114.58 117.45 1bkg h GLU 130 Ca 0.32 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 1bkg h GLU 130 Cb -0.02 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1bkg h GLU 130 CO -0.10 0.66 -0.14 0.52 -1.16 0.00 0.00 179.01 178.79 1bkg h MET 131 N 0.65 0.96 0.05 2.33 2.86 -0.84 -1.98 114.93 118.96 1bkg h MET 131 Ca 0.16 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1bkg h MET 131 Cb 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1bkg h MET 131 CO -0.01 1.03 -0.02 0.28 1.06 0.00 0.00 176.91 179.25 1bkg h VAL 132 N 0.85 0.98 -0.17 -2.22 2.07 -1.12 -2.94 116.25 113.70 1bkg h VAL 132 Ca 0.13 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 1bkg h VAL 132 Cb 0.70 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1bkg h VAL 132 CO 0.05 0.03 -0.39 0.03 0.02 0.00 0.00 177.57 177.31 1bkg h ARG 133 N -0.11 0.37 0.00 1.57 3.08 -1.41 -1.52 114.38 116.36 1bkg h ARG 133 Ca -0.01 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1bkg h ARG 133 Cb 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1bkg h ARG 133 CO 0.01 0.70 -0.07 0.35 -1.07 0.00 0.00 179.97 179.90 1bkg h PHE 134 N 0.31 0.00 -0.01 3.04 3.57 -1.29 0.13 116.94 122.69 1bkg h PHE 134 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1bkg h PHE 134 Cb 0.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1bkg h PHE 134 CO 0.02 0.07 -0.08 0.00 -2.23 0.00 0.00 178.31 176.09 1bkg n ALA 135 N -2.34 2.73 -0.14 2.41 0.00 -0.99 -4.94 120.51 117.23 1bkg n ALA 135 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1bkg n ALA 135 Cb 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1bkg n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 136 N 1.24 0.57 3.94 0.00 0.00 0.03 -4.50 105.19 106.47 1bkg n GLY 136 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1bkg n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bkg s GLY 137 N -1.16 1.75 -0.09 -0.02 0.00 -0.61 -0.96 107.32 106.23 1bkg s GLY 137 Ca 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.53 1bkg s GLY 137 CO 0.00 -0.55 -0.22 0.14 0.00 0.00 0.00 173.10 172.47 1bkg s VAL 138 N -3.68 2.28 -0.22 1.40 1.01 0.28 -4.01 120.40 117.46 1bkg s VAL 138 Ca 0.70 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1bkg s VAL 138 Cb -0.05 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1bkg s VAL 138 CO 0.50 0.56 0.69 -0.69 0.00 0.00 0.00 175.10 176.16 1bkg s VAL 139 N 0.14 4.96 -0.30 2.92 1.01 -1.26 -1.26 120.40 126.61 1bkg s VAL 139 Ca -0.12 1.29 -0.06 0.00 0.00 0.00 0.00 61.98 63.10 1bkg s VAL 139 Cb -0.16 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.25 1bkg s VAL 139 CO 0.06 0.04 0.06 -0.69 0.00 0.00 0.00 175.10 174.58 1bkg s VAL 140 N 2.30 3.71 -0.04 2.92 1.01 -0.35 -4.96 120.40 124.99 1bkg s VAL 140 Ca 0.30 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1bkg s VAL 140 Cb -0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1bkg s VAL 140 CO 0.09 0.01 0.58 -1.61 0.00 0.00 0.00 175.10 174.18 1bkg s GLU 141 N 1.44 4.33 -0.16 2.72 2.02 -1.26 -0.93 118.70 126.86 1bkg s GLU 141 Ca 0.01 0.69 0.02 0.00 0.02 0.00 0.00 54.97 55.71 1bkg s GLU 141 Cb -0.18 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.69 1bkg s GLU 141 CO 0.01 0.29 -0.21 0.08 0.02 0.00 0.00 175.26 175.45 1bkg s VAL 142 N 0.11 2.06 0.27 2.63 1.01 -0.83 -4.95 120.40 120.70 1bkg s VAL 142 Ca 0.31 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1bkg s VAL 142 Cb -0.17 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 1bkg s VAL 142 CO 0.16 0.55 1.06 -0.70 0.00 0.00 0.00 175.10 176.17 1bkg s GLU 143 N 1.01 4.69 -0.09 2.72 2.12 -1.26 -2.04 118.70 125.84 1bkg s GLU 143 Ca -0.02 1.73 0.02 0.00 0.36 0.00 0.00 54.97 57.06 1bkg s GLU 143 Cb -0.14 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 1bkg s GLU 143 CO -0.07 0.28 -0.17 0.99 -0.54 0.00 0.00 175.26 175.75 1bkg s THR 144 N -1.12 2.75 -0.10 -1.70 2.01 -0.65 -4.81 115.64 112.02 1bkg s THR 144 Ca 0.44 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 1bkg s THR 144 Cb -0.30 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1bkg s THR 144 CO 0.39 0.55 0.06 -0.76 -0.69 0.00 0.00 174.62 174.17 1bkg s LEU 145 N 0.01 3.91 0.33 4.42 1.43 -1.26 -4.62 118.68 122.89 1bkg s LEU 145 Ca -0.05 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1bkg s LEU 145 Cb -0.15 -1.92 0.56 0.00 0.03 0.00 0.00 46.19 44.71 1bkg s LEU 145 CO 0.05 0.39 1.93 1.55 0.23 0.00 0.00 176.35 180.49 1bkg h PRO 146 N 5.09 0.77 0.00 1.29 0.13 -1.96 0.14 132.00 137.45 1bkg h PRO 146 Ca -0.52 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1bkg h PRO 146 Cb 1.21 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1bkg h PRO 146 CO 0.56 0.61 0.00 -0.85 -0.23 0.00 0.00 178.00 178.09 1bkg n GLU 147 N -4.36 0.20 -0.50 0.86 0.28 -1.26 -0.44 120.64 115.42 1bkg n GLU 147 Ca 0.05 0.47 0.08 0.00 -0.16 0.00 0.00 57.16 57.60 1bkg n GLU 147 Cb 0.14 -1.91 0.28 0.00 1.43 0.00 0.00 31.44 31.38 1bkg n GLU 147 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1bkg n GLU 148 N -2.28 3.27 -1.48 3.44 1.02 0.08 -4.94 120.64 119.74 1bkg n GLU 148 Ca 0.01 -2.82 -0.14 0.00 -0.02 0.00 0.00 57.16 54.19 1bkg n GLU 148 Cb 0.20 -1.86 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1bkg n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bkg n GLY 149 N -0.17 1.26 2.42 0.62 0.00 0.42 -2.77 105.19 106.98 1bkg n GLY 149 Ca 0.22 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1bkg n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bkg n PHE 150 N -2.75 -0.60 -3.76 1.61 3.72 0.26 -4.83 117.46 111.11 1bkg n PHE 150 Ca -0.14 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.91 1bkg n PHE 150 Cb 0.46 -3.53 -0.08 0.00 -0.94 0.00 0.00 39.48 35.40 1bkg n PHE 150 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bkg s VAL 151 N -2.86 5.43 0.37 -4.37 1.01 -1.11 -4.87 120.40 113.99 1bkg s VAL 151 Ca 0.00 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 1bkg s VAL 151 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 1bkg s VAL 151 CO 0.00 0.48 1.24 -2.16 0.00 0.00 0.00 175.10 174.66 1bkg s PRO 152 N 0.02 4.16 -0.46 2.72 0.04 -1.26 -4.66 135.00 135.56 1bkg s PRO 152 Ca 0.10 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 1bkg s PRO 152 Cb -0.11 -2.85 0.05 0.00 0.04 0.00 0.00 34.50 31.63 1bkg s PRO 152 CO -0.00 -0.29 0.48 0.34 0.04 0.00 0.00 177.00 177.57 1bkg s ASP 153 N -0.83 6.19 0.08 6.66 -1.08 -1.26 -4.95 116.67 121.48 1bkg s ASP 153 Ca 0.54 -0.93 0.04 0.00 -0.52 0.00 0.00 52.55 51.68 1bkg s ASP 153 Cb -0.35 -2.23 0.21 0.00 -1.46 0.00 0.00 42.92 39.09 1bkg s ASP 153 CO 0.46 -0.69 1.01 -0.81 0.52 0.00 0.00 175.17 175.65 1bkg n PRO 154 N 5.66 0.03 0.11 4.34 -0.04 -1.26 -1.30 135.00 142.54 1bkg n PRO 154 Ca -0.09 0.43 -0.22 0.00 -0.04 0.00 0.00 63.50 63.59 1bkg n PRO 154 Cb 0.46 -1.72 -0.15 0.00 -0.04 0.00 0.00 33.50 32.05 1bkg n PRO 154 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bkg h GLU 155 N 0.00 0.42 0.00 0.54 4.57 -1.99 -2.10 114.58 116.02 1bkg h GLU 155 Ca 0.00 -0.72 -0.06 0.00 -1.18 0.00 0.00 59.36 57.39 1bkg h GLU 155 Cb 0.27 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1bkg h GLU 155 CO 0.00 1.33 -0.31 0.00 -1.18 0.00 0.00 179.01 178.85 1bkg h ARG 156 N 0.12 0.00 -0.21 1.92 3.08 -1.61 -2.58 114.38 115.10 1bkg h ARG 156 Ca -0.27 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.64 1bkg h ARG 156 Cb 2.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.16 1bkg h ARG 156 CO 0.22 0.31 -0.41 0.28 -1.07 0.00 0.00 179.97 179.30 1bkg h VAL 157 N 0.00 1.32 -0.49 2.04 2.07 -1.50 -3.14 116.25 116.55 1bkg h VAL 157 Ca -0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1bkg h VAL 157 Cb 0.55 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1bkg h VAL 157 CO 0.04 0.51 0.24 -0.09 0.02 0.00 0.00 177.57 178.29 1bkg h ARG 158 N 0.33 0.68 0.00 1.57 2.43 -1.04 -1.74 114.38 116.61 1bkg h ARG 158 Ca 0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1bkg h ARG 158 Cb 1.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1bkg h ARG 158 CO 0.09 0.52 0.00 0.54 -1.51 0.00 0.00 179.97 179.62 1bkg n ARG 159 N -4.39 0.44 0.00 0.20 1.74 -1.00 -2.29 116.66 111.35 1bkg n ARG 159 Ca 0.04 0.06 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 1bkg n ARG 159 Cb 0.12 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1bkg n ARG 159 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bkg n ALA 160 N -1.16 3.08 -1.77 7.54 0.00 -0.66 -4.97 120.51 122.57 1bkg n ALA 160 Ca 0.12 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1bkg n ALA 160 Cb 0.12 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1bkg n ALA 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bkg s ILE 161 N -1.79 3.71 0.32 0.00 1.01 -0.97 -4.98 121.20 118.50 1bkg s ILE 161 Ca 0.13 1.71 0.06 0.00 0.00 0.00 0.00 60.65 62.55 1bkg s ILE 161 Cb 0.12 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1bkg s ILE 161 CO 0.37 0.40 0.28 0.42 0.00 0.00 0.00 174.94 176.42 1bkg s THR 162 N -1.12 0.00 0.08 2.92 -4.23 -1.26 -5.02 115.64 107.01 1bkg s THR 162 Ca 0.43 -1.97 0.33 0.00 -1.18 0.00 0.00 61.69 59.31 1bkg s THR 162 Cb -0.30 -2.51 0.35 0.00 1.34 0.00 0.00 72.50 71.38 1bkg s THR 162 CO 0.38 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.79 1bkg h PRO 163 N 2.18 0.00 0.00 3.99 0.11 -1.99 -2.47 132.00 133.82 1bkg h PRO 163 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bkg h PRO 163 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bkg h PRO 163 CO 0.38 0.00 -0.33 0.54 -0.21 0.00 0.00 178.00 178.38 1bkg n ARG 164 N -2.80 0.07 -1.64 1.05 1.74 -1.26 -4.90 116.66 108.92 1bkg n ARG 164 Ca -0.00 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 1bkg n ARG 164 Cb 0.19 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1bkg n ARG 164 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1bkg n THR 165 N -1.65 0.62 -0.09 0.55 -1.04 -0.93 -1.44 114.28 110.30 1bkg n THR 165 Ca 0.06 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 61.72 1bkg n THR 165 Cb 0.36 -2.41 -0.13 0.00 -1.82 0.00 0.00 70.33 66.33 1bkg n THR 165 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bkg n LYS 166 N 7.98 1.17 -3.74 -2.82 3.00 0.52 -4.77 118.16 119.50 1bkg n LYS 166 Ca 0.24 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.45 1bkg n LYS 166 Cb 0.42 -1.44 -0.04 0.00 0.00 0.00 0.00 35.03 33.97 1bkg n LYS 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bkg s ALA 167 N -2.42 -0.86 -0.04 3.14 0.00 -1.17 -1.60 121.76 118.81 1bkg s ALA 167 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1bkg s ALA 167 Cb 0.05 0.84 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1bkg s ALA 167 CO 0.69 -0.77 -0.01 -1.17 0.00 0.00 0.00 175.76 174.50 1bkg s LEU 168 N -2.87 1.16 -0.25 0.00 2.96 -0.01 -1.38 118.68 118.28 1bkg s LEU 168 Ca 0.09 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.86 1bkg s LEU 168 Cb -0.00 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 1bkg s LEU 168 CO -0.04 -0.09 0.08 -0.69 -1.32 0.00 0.00 176.35 174.29 1bkg s VAL 169 N 1.08 4.38 -0.04 1.68 1.01 -0.49 -0.95 120.40 127.08 1bkg s VAL 169 Ca -0.09 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1bkg s VAL 169 Cb -0.14 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1bkg s VAL 169 CO -0.01 0.32 -0.12 0.68 0.00 0.00 0.00 175.10 175.97 1bkg s VAL 170 N 1.62 3.28 -0.28 2.92 -7.23 0.02 -4.16 120.40 116.58 1bkg s VAL 170 Ca 0.06 -0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.49 1bkg s VAL 170 Cb -0.15 -2.33 0.09 0.00 0.56 0.00 0.00 36.38 34.55 1bkg s VAL 170 CO 0.04 0.54 0.10 0.21 -0.31 0.00 0.00 175.10 175.68 1bkg s ASN 171 N -0.92 3.58 -0.08 4.85 3.04 -1.26 -0.72 114.94 123.42 1bkg s ASN 171 Ca 0.13 -1.32 -0.03 0.00 0.04 0.00 0.00 52.86 51.68 1bkg s ASN 171 Cb -0.11 -0.59 0.04 0.00 -1.54 0.00 0.00 41.25 39.05 1bkg s ASN 171 CO 0.02 -0.40 0.16 -0.55 -3.04 0.00 0.00 177.10 173.29 1bkg s SER 172 N 1.87 0.40 0.56 -4.21 0.15 -1.20 -3.15 113.70 108.11 1bkg s SER 172 Ca 0.07 0.33 -0.21 0.00 0.70 0.00 0.00 55.95 56.84 1bkg s SER 172 Cb -0.17 0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1bkg s SER 172 CO -0.26 -0.21 1.26 -2.65 1.20 0.00 0.00 173.24 172.59 1bkg n PRO 173 N 4.88 1.48 -3.43 5.44 -0.02 -1.26 -4.63 135.00 137.45 1bkg n PRO 173 Ca -0.13 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 1bkg n PRO 173 Cb 0.51 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1bkg n PRO 173 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1bkg s ASN 174 N -1.00 6.74 -0.11 2.55 3.84 -0.05 -4.62 114.94 122.29 1bkg s ASN 174 Ca 0.73 0.97 0.03 0.00 0.21 0.00 0.00 52.86 54.79 1bkg s ASN 174 Cb -0.42 -2.24 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 1bkg s ASN 174 CO 0.48 0.10 -0.20 0.21 -2.79 0.00 0.00 177.10 174.91 1bkg s ASN 175 N -1.81 2.82 0.00 -4.21 3.84 -1.26 -0.24 114.94 114.07 1bkg s ASN 175 Ca 0.37 -0.52 0.27 0.00 0.21 0.00 0.00 52.86 53.19 1bkg s ASN 175 Cb -0.14 -1.29 0.82 0.00 -0.55 0.00 0.00 41.25 40.09 1bkg s ASN 175 CO 0.19 0.09 1.61 -0.81 -2.79 0.00 0.00 177.10 175.38 1bkg n PRO 176 N 3.90 0.83 0.14 0.43 -0.04 -1.26 -3.47 135.00 135.53 1bkg n PRO 176 Ca -0.20 -0.47 0.01 0.00 -0.04 0.00 0.00 63.50 62.81 1bkg n PRO 176 Cb 0.52 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 1bkg n PRO 176 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1bkg h THR 177 N 1.14 1.15 0.00 0.52 1.35 -1.88 -3.36 112.91 111.83 1bkg h THR 177 Ca 0.00 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1bkg h THR 177 Cb 0.49 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1bkg h THR 177 CO 0.00 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1bkg n GLY 178 N 0.64 0.58 3.80 5.82 0.00 0.67 -4.58 105.19 112.11 1bkg n GLY 178 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1bkg n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bkg s ALA 179 N -2.43 2.88 -0.24 4.61 0.00 -1.26 -1.34 121.76 123.98 1bkg s ALA 179 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1bkg s ALA 179 Cb 0.00 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.92 1bkg s ALA 179 CO 0.00 -0.30 -0.13 0.08 0.00 0.00 0.00 175.76 175.41 1bkg s VAL 180 N -1.98 2.17 0.25 0.00 1.01 -1.26 -0.87 120.40 119.71 1bkg s VAL 180 Ca 0.67 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1bkg s VAL 180 Cb -0.16 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1bkg s VAL 180 CO 0.20 0.12 1.09 -0.31 0.00 0.00 0.00 175.10 176.20 1bkg s TYR 181 N 1.15 3.61 0.63 5.22 2.02 -1.26 -5.02 117.35 123.70 1bkg s TYR 181 Ca -0.05 1.69 -0.17 0.00 -0.37 0.00 0.00 57.07 58.16 1bkg s TYR 181 Cb -0.18 -3.27 -0.01 0.00 -0.40 0.00 0.00 41.96 38.10 1bkg s TYR 181 CO -0.07 -0.51 1.16 -2.14 -1.57 0.00 0.00 175.55 172.42 1bkg s PRO 182 N -1.17 2.84 0.28 -1.71 0.02 -1.26 -4.80 135.00 129.19 1bkg s PRO 182 Ca 0.45 1.64 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1bkg s PRO 182 Cb -0.31 -1.93 0.62 0.00 0.02 0.00 0.00 34.50 32.89 1bkg s PRO 182 CO 0.39 -1.27 1.75 -0.22 -0.33 0.00 0.00 177.00 177.32 1bkg h LYS 183 N 0.46 0.57 -0.24 5.54 3.64 -1.96 -1.86 116.57 122.72 1bkg h LYS 183 Ca -0.49 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1bkg h LYS 183 Cb 1.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1bkg h LYS 183 CO 0.54 0.38 0.15 0.93 -2.27 0.00 0.00 179.45 179.18 1bkg h GLU 184 N 0.59 0.29 -0.77 1.90 3.07 -1.99 -0.21 114.58 117.46 1bkg h GLU 184 Ca 0.51 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.30 1bkg h GLU 184 Cb 0.80 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 1bkg h GLU 184 CO -0.41 0.19 0.29 0.28 -1.40 0.00 0.00 179.01 177.96 1bkg h VAL 185 N 0.30 1.26 -0.48 3.13 2.07 -1.74 -1.64 116.25 119.16 1bkg h VAL 185 Ca 0.09 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1bkg h VAL 185 Cb -0.02 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1bkg h VAL 185 CO -0.03 0.34 -0.17 -0.07 0.02 0.00 0.00 177.57 177.65 1bkg h LEU 186 N 1.13 0.95 -0.87 2.57 4.07 -1.15 -1.62 115.31 120.39 1bkg h LEU 186 Ca 0.25 -0.34 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 1bkg h LEU 186 Cb 0.24 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1bkg h LEU 186 CO -0.02 1.11 0.15 -0.33 -1.08 0.00 0.00 178.44 178.27 1bkg h GLU 187 N 0.83 0.98 -0.29 1.13 5.08 -0.78 -1.32 114.58 120.21 1bkg h GLU 187 Ca 0.12 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1bkg h GLU 187 Cb 0.73 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1bkg h GLU 187 CO 0.06 0.88 0.12 0.00 -1.00 0.00 0.00 179.01 179.07 1bkg h ALA 188 N 1.22 0.38 -0.66 3.43 0.00 -0.99 -1.08 119.26 121.56 1bkg h ALA 188 Ca 0.20 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1bkg h ALA 188 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1bkg h ALA 188 CO 0.00 -0.04 0.14 -0.07 0.00 0.00 0.00 179.25 179.28 1bkg h LEU 189 N 0.32 1.01 -1.20 0.00 3.38 -1.15 -2.21 115.31 115.47 1bkg h LEU 189 Ca 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1bkg h LEU 189 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1bkg h LEU 189 CO -0.01 0.98 0.10 0.00 0.09 0.00 0.00 178.44 179.61 1bkg h ALA 190 N 1.14 1.36 -0.38 1.53 0.00 -0.94 -2.53 119.26 119.44 1bkg h ALA 190 Ca 0.21 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1bkg h ALA 190 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bkg h ALA 190 CO 0.01 0.46 -0.30 0.00 0.00 0.00 0.00 179.25 179.42 1bkg h ARG 191 N 0.64 0.82 -0.88 0.00 2.47 -0.80 -2.75 114.38 113.87 1bkg h ARG 191 Ca 0.15 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1bkg h ARG 191 Cb 0.25 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 1bkg h ARG 191 CO -0.00 1.01 0.56 -0.07 0.56 0.00 0.00 179.97 182.03 1bkg h LEU 192 N 0.69 1.03 -0.82 3.04 3.38 -0.99 0.88 115.31 122.52 1bkg h LEU 192 Ca 0.08 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1bkg h LEU 192 Cb 0.84 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1bkg h LEU 192 CO 0.07 0.76 -0.05 0.00 0.09 0.00 0.00 178.44 179.31 1bkg h ALA 193 N 1.42 1.00 -0.05 1.53 0.00 -1.30 0.91 119.26 122.78 1bkg h ALA 193 Ca 0.32 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1bkg h ALA 193 Cb -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1bkg h ALA 193 CO -0.07 0.60 -0.30 0.28 0.00 0.00 0.00 179.25 179.77 1bkg h VAL 194 N 0.76 1.45 -0.63 0.00 2.07 -1.15 0.50 116.25 119.25 1bkg h VAL 194 Ca 0.14 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1bkg h VAL 194 Cb 0.54 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1bkg h VAL 194 CO 0.03 0.50 0.34 -0.08 0.02 0.00 0.00 177.57 178.38 1bkg h GLU 195 N -0.23 0.88 -0.12 1.57 4.81 -0.73 -2.98 114.58 117.77 1bkg h GLU 195 Ca -0.02 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1bkg h GLU 195 Cb 0.96 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1bkg h GLU 195 CO 0.06 0.67 0.00 0.72 -0.73 0.00 0.00 179.01 179.73 1bkg n HIS 196 N -4.55 0.13 -3.21 0.92 8.25 0.30 -5.02 115.22 112.05 1bkg n HIS 196 Ca 0.04 -0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.36 1bkg n HIS 196 Cb 0.09 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.22 1bkg n HIS 196 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1bkg n ASP 197 N 1.26 -7.14 -3.84 0.41 2.03 -0.01 -5.02 116.55 104.24 1bkg n ASP 197 Ca 0.16 -0.35 -0.13 0.00 0.52 0.00 0.00 54.79 54.99 1bkg n ASP 197 Cb 0.57 -4.85 -0.07 0.00 -0.72 0.00 0.00 41.12 36.05 1bkg n ASP 197 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1bkg s PHE 198 N -3.11 0.99 0.07 -0.67 -0.12 -0.16 -4.97 117.98 110.00 1bkg s PHE 198 Ca 0.13 -1.21 -0.22 0.00 -0.05 0.00 0.00 56.93 55.58 1bkg s PHE 198 Cb -0.02 -0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.03 1bkg s PHE 198 CO 0.77 -0.87 0.67 0.71 -0.05 0.00 0.00 175.22 176.44 1bkg s TYR 199 N -3.80 3.79 -0.23 3.49 2.02 -0.63 -4.63 117.35 117.37 1bkg s TYR 199 Ca 0.33 1.39 -0.08 0.00 -0.37 0.00 0.00 57.07 58.34 1bkg s TYR 199 Cb 0.03 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1bkg s TYR 199 CO 0.15 0.45 0.08 -1.17 -1.57 0.00 0.00 175.55 173.49 1bkg s LEU 200 N -0.70 3.65 -0.37 -1.29 0.20 0.01 -0.83 118.68 119.35 1bkg s LEU 200 Ca 0.33 -0.07 -0.05 0.00 0.69 0.00 0.00 54.13 55.02 1bkg s LEU 200 Cb -0.20 -1.96 0.07 0.00 -0.43 0.00 0.00 46.19 43.66 1bkg s LEU 200 CO 0.21 0.04 0.15 -0.69 -0.29 0.00 0.00 176.35 175.77 1bkg s VAL 201 N 1.17 3.63 -0.37 1.68 1.01 -0.12 -0.87 120.40 126.54 1bkg s VAL 201 Ca 0.05 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 1bkg s VAL 201 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1bkg s VAL 201 CO 0.04 -0.36 0.22 -0.55 0.00 0.00 0.00 175.10 174.44 1bkg s SER 202 N 1.66 5.79 -0.60 3.32 0.15 -0.30 -0.80 113.70 122.92 1bkg s SER 202 Ca 0.01 -0.90 -0.20 0.00 0.70 0.00 0.00 55.95 55.55 1bkg s SER 202 Cb -0.21 -2.05 0.09 0.00 -1.71 0.00 0.00 66.02 62.13 1bkg s SER 202 CO 0.00 -0.37 0.79 -0.62 1.20 0.00 0.00 173.24 174.25 1bkg s ASP 203 N 1.59 6.19 -0.17 5.45 2.15 0.10 -0.46 116.67 131.52 1bkg s ASP 203 Ca 0.03 -1.20 0.16 0.00 0.43 0.00 0.00 52.55 51.97 1bkg s ASP 203 Cb -0.19 -2.34 0.61 0.00 -0.30 0.00 0.00 42.92 40.69 1bkg s ASP 203 CO 0.07 -1.21 1.52 -0.62 -0.17 0.00 0.00 175.17 174.76 1bkg n GLU 204 N 6.82 3.53 -0.22 4.34 1.02 0.42 -3.23 120.64 133.32 1bkg n GLU 204 Ca -0.07 -2.85 0.31 0.00 -0.02 0.00 0.00 57.16 54.53 1bkg n GLU 204 Cb 0.44 -1.90 0.72 0.00 -0.02 0.00 0.00 31.44 30.68 1bkg n GLU 204 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1bkg h ILE 205 N 2.67 0.39 -0.41 -3.67 -0.00 -1.90 0.88 117.51 115.47 1bkg h ILE 205 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1bkg h ILE 205 Cb 1.51 0.44 0.00 0.00 -0.00 0.00 0.00 36.82 38.77 1bkg h ILE 205 CO 0.27 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 177.20 1bkg n TYR 206 N -4.03 1.39 -0.21 0.16 4.01 -1.26 -4.46 117.16 112.75 1bkg n TYR 206 Ca 0.21 -0.49 0.19 0.00 -0.16 0.00 0.00 57.90 57.65 1bkg n TYR 206 Cb 1.12 -0.36 0.53 0.00 -0.31 0.00 0.00 39.34 40.33 1bkg n TYR 206 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1bkg h GLU 207 N 2.78 0.35 0.00 -0.72 4.11 -1.10 -2.30 114.58 117.69 1bkg h GLU 207 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1bkg h GLU 207 Cb 1.46 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1bkg h GLU 207 CO 0.32 0.23 -0.53 0.72 0.07 0.00 0.00 179.01 179.81 1bkg n HIS 208 N -4.48 0.25 -2.88 2.06 8.25 -1.26 -4.33 115.22 112.84 1bkg n HIS 208 Ca 0.18 0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 1bkg n HIS 208 Cb 0.68 -0.45 0.01 0.00 1.12 0.00 0.00 29.99 31.35 1bkg n HIS 208 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bkg n LEU 209 N -1.78 6.60 -4.23 2.41 4.77 -0.87 -4.90 117.00 119.00 1bkg n LEU 209 Ca 0.05 -5.18 -0.32 0.00 -0.03 0.00 0.00 56.01 50.53 1bkg n LEU 209 Cb 0.38 -1.28 -0.17 0.00 -2.33 0.00 0.00 43.42 40.03 1bkg n LEU 209 CO 0.35 1.71 -0.56 -0.22 -1.33 0.00 0.00 177.39 177.35 1bkg s LEU 210 N -2.71 2.07 -0.11 2.23 2.96 -1.26 0.01 118.68 121.86 1bkg s LEU 210 Ca 0.33 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1bkg s LEU 210 Cb 0.07 -1.37 -0.11 0.00 0.50 0.00 0.00 46.19 45.27 1bkg s LEU 210 CO 0.07 0.18 -0.02 -1.22 -1.32 0.00 0.00 176.35 174.05 1bkg n TYR 211 N 3.33 0.00 -4.23 5.38 4.01 0.20 -4.98 117.16 120.87 1bkg n TYR 211 Ca -0.19 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.39 1bkg n TYR 211 Cb 0.53 -0.51 -0.14 0.00 -0.31 0.00 0.00 39.34 38.90 1bkg n TYR 211 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1bkg s GLU 212 N -2.25 0.55 0.75 -0.72 0.41 -1.19 -5.09 118.70 111.16 1bkg s GLU 212 Ca -0.10 -0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 1bkg s GLU 212 Cb 0.04 -0.52 0.00 0.00 -1.78 0.00 0.00 34.13 31.86 1bkg s GLU 212 CO 0.38 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.70 1bkg n GLY 213 N 2.83 -1.82 3.15 -1.39 0.00 -1.26 -4.87 105.19 101.84 1bkg n GLY 213 Ca -0.14 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 1bkg n GLY 213 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bkg s GLU 214 N 0.00 0.78 -0.29 1.61 2.02 -1.26 -5.10 118.70 116.46 1bkg s GLU 214 Ca 0.00 -1.00 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 1bkg s GLU 214 Cb 0.00 -0.63 -0.01 0.00 0.10 0.00 0.00 34.13 33.59 1bkg s GLU 214 CO 0.00 0.12 0.64 -1.58 0.02 0.00 0.00 175.26 174.46 1bkg s HIS 215 N -1.72 3.23 -0.13 1.61 5.65 -1.26 -4.85 115.29 117.82 1bkg s HIS 215 Ca -0.01 0.67 -0.03 0.00 0.25 0.00 0.00 55.06 55.95 1bkg s HIS 215 Cb -0.07 -2.96 -0.03 0.00 -1.18 0.00 0.00 32.58 28.34 1bkg s HIS 215 CO 0.01 -0.44 -0.03 0.12 -0.65 0.00 0.00 174.74 173.76 1bkg s PHE 216 N 2.60 3.05 -0.36 3.88 5.36 -1.26 -5.06 117.98 126.19 1bkg s PHE 216 Ca 0.26 -0.14 -0.14 0.00 -0.96 0.00 0.00 56.93 55.95 1bkg s PHE 216 Cb -0.15 -1.89 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 1bkg s PHE 216 CO 0.11 0.13 0.29 -1.12 -1.46 0.00 0.00 175.22 173.17 1bkg s SER 217 N -0.06 6.11 0.60 6.13 0.01 -1.26 -4.95 113.70 120.27 1bkg s SER 217 Ca 0.02 -0.46 0.30 0.00 1.31 0.00 0.00 55.95 57.12 1bkg s SER 217 Cb -0.13 -2.16 1.73 0.00 0.21 0.00 0.00 66.02 65.67 1bkg s SER 217 CO 0.02 -0.32 2.14 -0.65 0.41 0.00 0.00 173.24 174.85 1bkg h PRO 218 N 8.52 0.00 0.00 12.44 0.11 -1.95 -1.93 132.00 149.19 1bkg h PRO 218 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1bkg h PRO 218 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1bkg h PRO 218 CO 0.67 0.00 0.06 0.41 -0.21 0.00 0.00 178.00 178.93 1bkg n GLY 219 N -1.36 -0.74 0.21 -0.55 0.00 -1.26 -0.68 105.19 100.81 1bkg n GLY 219 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1bkg n GLY 219 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bkg h ARG 220 N 0.00 0.73 0.06 1.61 3.08 -1.66 -3.08 114.38 115.12 1bkg h ARG 220 Ca 0.00 -0.64 -0.12 0.00 0.07 0.00 0.00 59.98 59.29 1bkg h ARG 220 Cb 0.12 0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1bkg h ARG 220 CO 0.00 1.24 -0.52 0.28 -1.07 0.00 0.00 179.97 179.90 1bkg h VAL 221 N 0.48 1.55 -2.39 2.04 2.07 -1.11 -3.40 116.25 115.49 1bkg h VAL 221 Ca -0.07 -2.28 -0.60 0.00 0.82 0.00 0.00 66.70 64.57 1bkg h VAL 221 Cb 1.46 3.01 -0.41 0.00 -1.52 0.00 0.00 31.29 33.83 1bkg h VAL 221 CO 0.17 0.64 -0.69 0.00 0.02 0.00 0.00 177.57 177.70 1bkg n ALA 222 N -2.61 3.59 0.27 1.67 0.00 -0.96 -4.96 120.51 117.50 1bkg n ALA 222 Ca -0.12 -4.40 0.11 0.00 0.00 0.00 0.00 53.44 49.04 1bkg n ALA 222 Cb 0.67 -0.91 0.75 0.00 0.00 0.00 0.00 19.45 19.96 1bkg n ALA 222 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1bkg h PRO 223 N 4.54 0.00 -0.01 0.00 0.13 -1.76 -1.98 132.00 132.92 1bkg h PRO 223 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1bkg h PRO 223 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1bkg h PRO 223 CO 0.72 0.06 -0.28 0.39 -0.23 0.00 0.00 178.00 178.67 1bkg n GLU 224 N -4.01 1.07 -0.00 0.86 1.02 -1.26 -4.04 120.64 114.29 1bkg n GLU 224 Ca -0.03 -0.72 0.02 0.00 -0.02 0.00 0.00 57.16 56.41 1bkg n GLU 224 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1bkg n GLU 224 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1bkg n HIS 225 N -0.33 0.00 -3.87 -0.32 8.25 -1.08 -4.77 115.22 113.10 1bkg n HIS 225 Ca 0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.21 1bkg n HIS 225 Cb 0.39 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 1bkg n HIS 225 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1bkg s THR 226 N -1.62 5.50 -0.25 1.59 2.01 -0.77 -0.81 115.64 121.29 1bkg s THR 226 Ca 0.01 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1bkg s THR 226 Cb 0.03 -3.41 0.06 0.00 0.01 0.00 0.00 72.50 69.19 1bkg s THR 226 CO 0.18 0.61 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.87 1bkg s LEU 227 N -0.97 3.04 -0.21 4.42 1.43 -0.04 -4.10 118.68 122.26 1bkg s LEU 227 Ca 0.15 -1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 51.81 1bkg s LEU 227 Cb -0.12 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1bkg s LEU 227 CO 0.04 -0.20 0.43 -0.89 0.23 0.00 0.00 176.35 175.95 1bkg s THR 228 N 1.23 5.17 -0.09 5.49 2.01 -0.55 -1.15 115.64 127.74 1bkg s THR 228 Ca -0.07 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1bkg s THR 228 Cb -0.19 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1bkg s THR 228 CO -0.06 0.22 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.31 1bkg s VAL 229 N 1.47 3.46 0.06 3.82 1.01 0.39 -1.62 120.40 129.00 1bkg s VAL 229 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1bkg s VAL 229 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1bkg s VAL 229 CO 0.08 0.56 0.10 -3.20 0.00 0.00 0.00 175.10 172.64 1bkg n ASN 230 N 2.74 -0.27 -3.57 3.32 2.85 0.09 -0.44 115.26 119.97 1bkg n ASN 230 Ca -0.18 -1.31 0.03 0.00 -0.11 0.00 0.00 54.58 53.02 1bkg n ASN 230 Cb 0.53 0.49 -0.00 0.00 1.24 0.00 0.00 39.78 42.03 1bkg n ASN 230 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1bkg s GLY 231 N -1.37 -0.48 0.10 8.20 0.00 -1.26 -1.63 107.32 110.88 1bkg s GLY 231 Ca 0.04 0.89 0.25 0.00 0.00 0.00 0.00 44.72 45.90 1bkg s GLY 231 CO 0.03 0.22 1.42 0.00 0.00 0.00 0.00 173.10 174.77 1bkg n ALA 232 N -0.50 2.95 -0.14 3.20 0.00 -1.02 -4.54 120.51 120.45 1bkg n ALA 232 Ca -0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1bkg n ALA 232 Cb 0.64 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 1bkg n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bkg h ALA 233 N 2.64 -0.74 0.17 0.00 0.00 -1.75 -2.50 119.26 117.08 1bkg h ALA 233 Ca 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1bkg h ALA 233 Cb 0.68 1.11 0.01 0.00 0.00 0.00 0.00 17.79 19.59 1bkg h ALA 233 CO 0.00 -1.03 -1.35 0.87 0.00 0.00 0.00 179.25 177.73 1bkg h LYS 234 N -0.38 0.35 -0.39 0.00 1.79 -1.80 -2.28 116.57 113.86 1bkg h LYS 234 Ca 0.08 -0.60 0.02 0.00 -2.18 0.00 0.00 60.65 57.97 1bkg h LYS 234 Cb 0.59 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 1bkg h LYS 234 CO -0.60 1.29 0.23 0.00 -1.08 0.00 0.00 179.45 179.29 1bkg h ALA 235 N 0.06 0.49 -0.34 3.86 0.00 -1.78 -3.25 119.26 118.30 1bkg h ALA 235 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bkg h ALA 235 Cb 1.89 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1bkg h ALA 235 CO 0.15 -0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.49 1bkg n PHE 236 N -4.86 0.71 -3.64 0.00 3.72 -0.94 -4.69 117.46 107.76 1bkg n PHE 236 Ca 0.01 -0.65 -0.21 0.00 -0.05 0.00 0.00 57.45 56.55 1bkg n PHE 236 Cb 0.06 -0.15 0.05 0.00 -0.94 0.00 0.00 39.48 38.50 1bkg n PHE 236 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bkg n ALA 237 N 0.17 -1.88 -2.03 4.37 0.00 -1.12 -4.23 120.51 115.81 1bkg n ALA 237 Ca 0.16 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1bkg n ALA 237 Cb 0.63 -2.66 0.02 0.00 0.00 0.00 0.00 19.45 17.44 1bkg n ALA 237 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bkg n MET 238 N -4.34 3.51 -0.19 0.00 2.81 -0.87 -3.58 117.12 114.46 1bkg n MET 238 Ca -0.23 -4.14 -0.07 0.00 -1.81 0.00 0.00 57.70 51.45 1bkg n MET 238 Cb 0.65 -2.28 0.02 0.00 -0.71 0.00 0.00 33.22 30.91 1bkg n MET 238 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1bkg h THR 239 N 2.14 1.17 0.00 2.03 1.35 -1.85 -2.52 112.91 115.22 1bkg h THR 239 Ca 0.38 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1bkg h THR 239 Cb 1.38 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1bkg h THR 239 CO 0.85 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.91 1bkg n GLY 240 N -1.09 -1.07 0.18 5.82 0.00 -1.26 -3.31 105.19 104.46 1bkg n GLY 240 Ca 0.03 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1bkg n GLY 240 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1bkg h TRP 241 N 0.00 0.00 -5.70 1.61 4.06 -1.84 -3.49 115.95 110.60 1bkg h TRP 241 Ca 0.00 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.66 1bkg h TRP 241 Cb 0.13 0.00 0.15 0.00 -1.00 0.00 0.00 29.16 28.44 1bkg h TRP 241 CO 0.00 0.00 -0.82 0.54 -3.56 0.00 0.00 178.44 174.60 1bkg n ARG 242 N -2.92 -1.86 -3.86 0.49 5.12 -1.21 -4.88 116.66 107.55 1bkg n ARG 242 Ca 0.03 0.79 -0.27 0.00 -1.93 0.00 0.00 57.85 56.48 1bkg n ARG 242 Cb 0.53 -5.26 -0.17 0.00 -1.16 0.00 0.00 32.46 26.39 1bkg n ARG 242 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1bkg s ILE 243 N -3.38 0.89 0.31 0.55 -1.09 -1.26 -2.78 121.20 114.44 1bkg s ILE 243 Ca 0.42 -0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.52 1bkg s ILE 243 Cb -0.09 -1.04 -0.06 0.00 -1.58 0.00 0.00 42.46 39.69 1bkg s ILE 243 CO 0.78 0.20 0.03 -0.83 -1.23 0.00 0.00 174.94 173.90 1bkg s GLY 244 N 1.74 1.98 0.11 6.18 0.00 0.39 -2.44 107.32 115.29 1bkg s GLY 244 Ca 0.03 -2.01 -0.13 0.00 0.00 0.00 0.00 44.72 42.61 1bkg s GLY 244 CO -0.07 -1.81 0.32 -2.52 0.00 0.00 0.00 173.10 169.02 1bkg s TYR 245 N -3.25 -0.07 0.09 1.90 -0.85 -0.64 -0.38 117.35 114.14 1bkg s TYR 245 Ca 0.34 -0.29 -0.20 0.00 -0.52 0.00 0.00 57.07 56.41 1bkg s TYR 245 Cb 0.08 0.14 0.05 0.00 0.38 0.00 0.00 41.96 42.60 1bkg s TYR 245 CO 0.14 -0.64 0.48 0.00 -1.52 0.00 0.00 175.55 174.01 1bkg s ALA 246 N -3.80 -1.20 0.05 9.51 0.00 -0.75 -0.74 121.76 124.83 1bkg s ALA 246 Ca 0.03 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1bkg s ALA 246 Cb 0.03 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1bkg s ALA 246 CO -0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 175.76 175.04 1bkg n GLY 248 N 0.14 -0.66 3.64 0.00 0.00 -1.02 -1.49 105.19 105.80 1bkg n GLY 248 Ca -0.14 -1.06 -0.51 0.00 0.00 0.00 0.00 46.02 44.32 1bkg n GLY 248 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bkg n PRO 249 N 0.00 1.57 -0.32 1.61 -0.02 -1.26 -4.76 135.00 131.83 1bkg n PRO 249 Ca 0.00 0.57 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 1bkg n PRO 249 Cb 0.00 -2.28 0.49 0.00 -0.02 0.00 0.00 33.50 31.69 1bkg n PRO 249 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1bkg h LYS 250 N 5.90 0.41 -0.29 -0.52 3.64 -1.91 -1.20 116.57 122.60 1bkg h LYS 250 Ca -0.47 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 58.73 1bkg h LYS 250 Cb 1.30 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1bkg h LYS 250 CO 0.86 0.27 -0.45 0.93 -2.27 0.00 0.00 179.45 178.79 1bkg h GLU 251 N 0.42 0.75 -0.28 1.90 4.39 -1.95 -0.67 114.58 119.14 1bkg h GLU 251 Ca 0.59 -0.42 -0.19 0.00 0.34 0.00 0.00 59.36 59.69 1bkg h GLU 251 Cb 1.45 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1bkg h GLU 251 CO -0.31 1.04 -0.56 0.28 -1.16 0.00 0.00 179.01 178.30 1bkg h VAL 252 N 0.60 1.27 -0.59 3.13 2.07 -1.62 -2.12 116.25 119.00 1bkg h VAL 252 Ca 0.04 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 1bkg h VAL 252 Cb 1.01 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1bkg h VAL 252 CO 0.10 0.57 0.26 0.40 0.02 0.00 0.00 177.57 178.92 1bkg h ILE 253 N 0.67 1.22 -0.05 4.57 1.08 -1.22 -0.58 117.51 123.20 1bkg h ILE 253 Ca 0.01 -0.64 -0.06 0.00 -0.39 0.00 0.00 64.86 63.78 1bkg h ILE 253 Cb 1.17 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1bkg h ILE 253 CO 0.12 0.25 -0.26 0.50 -0.69 0.00 0.00 178.15 178.08 1bkg h LYS 254 N 0.80 0.08 -0.15 2.37 3.64 -1.09 -1.91 116.57 120.31 1bkg h LYS 254 Ca 0.20 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.35 1bkg h LYS 254 Cb 0.15 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1bkg h LYS 254 CO -0.02 0.34 -0.74 0.00 -2.27 0.00 0.00 179.45 176.76 1bkg h ALA 255 N 1.66 0.41 -0.60 5.00 0.00 -0.66 -3.02 119.26 122.06 1bkg h ALA 255 Ca 0.01 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1bkg h ALA 255 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1bkg h ALA 255 CO 0.04 0.70 0.12 0.52 0.00 0.00 0.00 179.25 180.63 1bkg h MET 256 N 0.48 0.94 0.00 0.00 2.86 -0.62 -2.34 114.93 116.26 1bkg h MET 256 Ca -0.04 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1bkg h MET 256 Cb 1.35 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 1bkg h MET 256 CO 0.15 0.86 -0.09 0.00 1.06 0.00 0.00 176.91 178.88 1bkg h ALA 257 N 1.23 1.03 -0.08 6.32 0.00 -1.36 -2.16 119.26 124.24 1bkg h ALA 257 Ca 0.19 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1bkg h ALA 257 Cb 0.36 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bkg h ALA 257 CO 0.00 0.12 -0.81 1.03 0.00 0.00 0.00 179.25 179.60 1bkg h SER 258 N 0.00 0.85 -0.53 0.00 0.87 -1.30 -1.48 113.55 111.96 1bkg h SER 258 Ca -0.00 -0.68 -0.08 0.00 -1.23 0.00 0.00 61.79 59.80 1bkg h SER 258 Cb 0.59 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1bkg h SER 258 CO 0.01 1.40 0.03 0.58 -0.53 0.00 0.00 176.83 178.32 1bkg h VAL 259 N 0.36 1.26 -0.56 2.23 2.07 -1.21 -2.64 116.25 117.76 1bkg h VAL 259 Ca -0.08 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1bkg h VAL 259 Cb 1.46 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1bkg h VAL 259 CO 0.16 0.39 0.28 0.28 0.02 0.00 0.00 177.57 178.70 1bkg h SER 260 N 0.89 0.73 0.13 0.57 0.02 -1.31 -2.25 113.55 112.33 1bkg h SER 260 Ca 0.17 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1bkg h SER 260 Cb 0.49 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1bkg h SER 260 CO 0.02 0.64 -0.07 0.77 -1.14 0.00 0.00 176.83 177.05 1bkg h SER 261 N 0.76 0.00 -0.70 3.07 4.64 -0.91 0.17 113.55 120.58 1bkg h SER 261 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1bkg h SER 261 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1bkg h SER 261 CO -0.03 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1bkg n GLN 262 N -4.05 2.75 0.07 4.77 1.13 -1.00 -4.25 117.38 116.81 1bkg n GLN 262 Ca -0.03 -2.62 0.00 0.00 -1.94 0.00 0.00 57.00 52.41 1bkg n GLN 262 Cb 0.16 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.96 1bkg n GLN 262 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1bkg n SER 263 N 1.56 0.37 -0.23 1.08 3.41 -0.85 -4.97 113.62 113.99 1bkg n SER 263 Ca 0.24 0.21 0.03 0.00 -0.26 0.00 0.00 58.87 59.09 1bkg n SER 263 Cb 0.61 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.59 1bkg n SER 263 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1bkg n THR 264 N -3.20 0.08 0.00 6.66 -2.24 -0.53 -5.03 114.28 110.03 1bkg n THR 264 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1bkg n THR 264 Cb 0.00 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1bkg n THR 264 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bkg n THR 265 N 0.29 0.00 -3.50 4.28 -1.04 0.50 -4.67 114.28 110.14 1bkg n THR 265 Ca 0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 1bkg n THR 265 Cb 0.16 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.64 1bkg n THR 265 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1bkg s SER 266 N -0.94 -0.45 1.01 8.00 0.15 -1.26 -3.73 113.70 116.48 1bkg s SER 266 Ca 0.00 0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 1bkg s SER 266 Cb 0.00 0.44 0.19 0.00 -1.71 0.00 0.00 66.02 64.95 1bkg s SER 266 CO 0.00 -0.66 1.08 -2.84 1.20 0.00 0.00 173.24 172.02 1bkg s PRO 267 N -2.74 0.35 -0.27 5.44 0.02 -1.26 -4.89 135.00 131.64 1bkg s PRO 267 Ca 0.01 0.70 -0.41 0.00 0.02 0.00 0.00 61.00 61.32 1bkg s PRO 267 Cb -0.01 -1.71 -0.17 0.00 0.02 0.00 0.00 34.50 32.63 1bkg s PRO 267 CO -0.06 -2.83 1.63 -3.47 -0.33 0.00 0.00 177.00 171.94 1bkg n ASP 268 N -4.27 1.91 -0.35 2.53 -0.08 -1.26 -4.73 116.55 110.31 1bkg n ASP 268 Ca 0.05 1.11 -0.03 0.00 -1.51 0.00 0.00 54.79 54.41 1bkg n ASP 268 Cb 0.56 -1.08 0.09 0.00 2.34 0.00 0.00 41.12 43.04 1bkg n ASP 268 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1bkg h THR 269 N 4.84 1.25 -0.37 5.18 2.02 -1.87 -1.76 112.91 122.20 1bkg h THR 269 Ca -0.46 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 1bkg h THR 269 Cb 1.34 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1bkg h THR 269 CO 0.93 0.26 -0.02 0.40 0.37 0.00 0.00 175.52 177.46 1bkg h ILE 270 N 1.28 1.26 0.00 3.11 5.03 -1.91 -2.46 117.51 123.83 1bkg h ILE 270 Ca 0.34 -1.03 -0.03 0.00 -0.12 0.00 0.00 64.86 64.02 1bkg h ILE 270 Cb -0.08 1.18 -0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1bkg h ILE 270 CO -0.07 0.34 -0.15 0.00 -0.68 0.00 0.00 178.15 177.60 1bkg h ALA 271 N 0.86 1.44 -0.07 1.87 0.00 -1.84 -1.59 119.26 119.93 1bkg h ALA 271 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1bkg h ALA 271 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bkg h ALA 271 CO 0.02 0.18 -0.09 1.96 0.00 0.00 0.00 179.25 181.32 1bkg h GLN 272 N 0.00 0.19 -0.56 0.00 4.20 -0.92 -1.72 115.11 116.29 1bkg h GLN 272 Ca -0.00 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1bkg h GLN 272 Cb 0.33 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1bkg h GLN 272 CO 0.02 0.65 0.13 -1.49 -0.67 0.00 0.00 178.83 177.47 1bkg h TRP 273 N -0.25 0.91 -0.58 2.96 4.06 -1.20 -1.52 115.95 120.32 1bkg h TRP 273 Ca 0.01 -0.09 0.03 0.00 2.06 0.00 0.00 58.89 60.90 1bkg h TRP 273 Cb 0.63 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.49 1bkg h TRP 273 CO 0.10 0.76 0.34 0.00 -3.56 0.00 0.00 178.44 176.08 1bkg h ALA 274 N 1.30 0.75 -0.38 1.49 0.00 -1.22 -2.33 119.26 118.87 1bkg h ALA 274 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1bkg h ALA 274 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bkg h ALA 274 CO 0.00 0.06 -0.10 1.15 0.00 0.00 0.00 179.25 180.35 1bkg h THR 275 N 0.67 1.25 -0.96 0.00 2.02 -0.87 -2.21 112.91 112.81 1bkg h THR 275 Ca 0.24 -1.09 0.10 0.00 0.77 0.00 0.00 66.41 66.43 1bkg h THR 275 Cb 0.05 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1bkg h THR 275 CO -0.11 0.37 0.61 0.25 0.37 0.00 0.00 175.52 177.01 1bkg h LEU 276 N 0.61 0.89 -0.34 2.58 6.46 -0.74 -1.72 115.31 123.04 1bkg h LEU 276 Ca 0.11 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.82 1bkg h LEU 276 Cb 0.54 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1bkg h LEU 276 CO 0.03 0.50 -0.11 -0.08 -0.62 0.00 0.00 178.44 178.17 1bkg h GLU 277 N 0.97 0.68 -0.52 1.25 4.57 -1.17 -1.25 114.58 119.12 1bkg h GLU 277 Ca 0.45 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1bkg h GLU 277 Cb 0.42 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1bkg h GLU 277 CO -0.21 0.86 0.35 0.00 -1.18 0.00 0.00 179.01 178.82 1bkg h ALA 278 N 0.80 1.69 0.18 2.92 0.00 -1.07 -0.50 119.26 123.28 1bkg h ALA 278 Ca 0.08 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 1bkg h ALA 278 Cb 0.62 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1bkg h ALA 278 CO 0.04 0.27 -1.59 -0.07 0.00 0.00 0.00 179.25 177.91 1bkg h LEU 279 N 0.65 0.60 0.05 0.00 3.38 -1.16 -3.39 115.31 115.44 1bkg h LEU 279 Ca 0.20 -0.78 -0.26 0.00 0.09 0.00 0.00 57.88 57.13 1bkg h LEU 279 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1bkg h LEU 279 CO -0.05 1.64 -1.34 0.71 0.09 0.00 0.00 178.44 179.49 1bkg h THR 280 N 0.10 1.33 -1.18 0.22 1.35 -1.09 -3.39 112.91 110.25 1bkg h THR 280 Ca -0.28 -3.04 -0.71 0.00 -0.55 0.00 0.00 66.41 61.83 1bkg h THR 280 Cb 2.09 2.74 -0.11 0.00 -1.73 0.00 0.00 68.15 71.13 1bkg h THR 280 CO 0.20 0.81 2.08 -3.20 -0.25 0.00 0.00 175.52 175.17 1bkg n ASN 281 N -3.34 4.88 -0.27 5.36 2.85 -0.21 -4.80 115.26 119.74 1bkg n ASN 281 Ca -0.10 -2.95 -0.05 0.00 -0.11 0.00 0.00 54.58 51.38 1bkg n ASN 281 Cb 1.00 -1.65 0.10 0.00 1.24 0.00 0.00 39.78 40.47 1bkg n ASN 281 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1bkg h GLN 282 N 6.98 1.14 -0.13 1.20 4.20 -1.84 -2.34 115.11 124.32 1bkg h GLN 282 Ca 0.42 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 1bkg h GLN 282 Cb 0.81 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1bkg h GLN 282 CO 1.48 0.92 0.07 1.49 -0.67 0.00 0.00 178.83 182.12 1bkg h GLU 283 N 1.11 0.18 -0.33 1.46 4.81 -1.97 -0.29 114.58 119.54 1bkg h GLU 283 Ca 0.26 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1bkg h GLU 283 Cb 0.20 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1bkg h GLU 283 CO -0.02 0.19 -0.07 0.00 -0.73 0.00 0.00 179.01 178.38 1bkg h ALA 284 N 0.98 0.46 -0.27 2.92 0.00 -1.96 -2.54 119.26 118.85 1bkg h ALA 284 Ca 0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1bkg h ALA 284 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bkg h ALA 284 CO -0.01 0.28 -0.42 0.77 0.00 0.00 0.00 179.25 179.88 1bkg h SER 285 N 0.42 0.83 -0.64 0.00 0.02 -1.41 -2.66 113.55 110.10 1bkg h SER 285 Ca 0.09 -0.52 0.06 0.00 -0.84 0.00 0.00 61.79 60.58 1bkg h SER 285 Cb 0.56 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1bkg h SER 285 CO 0.03 1.18 0.42 -0.09 -1.14 0.00 0.00 176.83 177.24 1bkg h ARG 286 N 0.49 0.63 -0.37 3.45 2.43 -1.05 -0.15 114.38 119.81 1bkg h ARG 286 Ca 0.02 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1bkg h ARG 286 Cb 1.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1bkg h ARG 286 CO 0.10 0.42 -0.11 0.00 -1.51 0.00 0.00 179.97 178.86 1bkg h ALA 287 N 1.65 0.52 0.03 2.80 0.00 -1.27 -1.70 119.26 121.28 1bkg h ALA 287 Ca 0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bkg h ALA 287 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bkg h ALA 287 CO -0.08 0.39 -0.01 0.35 0.00 0.00 0.00 179.25 179.90 1bkg h PHE 288 N 0.53 -0.04 -0.76 0.00 3.57 -0.94 -2.48 116.94 116.82 1bkg h PHE 288 Ca 0.09 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.68 1bkg h PHE 288 Cb 0.64 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1bkg h PHE 288 CO 0.05 0.20 0.41 0.28 -2.23 0.00 0.00 178.31 177.02 1bkg h VAL 289 N -0.27 0.87 -0.57 1.41 2.07 -1.02 -0.13 116.25 118.61 1bkg h VAL 289 Ca -0.00 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1bkg h VAL 289 Cb 0.25 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1bkg h VAL 289 CO 0.01 0.12 0.14 -0.33 0.02 0.00 0.00 177.57 177.53 1bkg h GLU 290 N 0.68 0.91 -0.45 1.57 4.39 -1.28 -1.65 114.58 118.76 1bkg h GLU 290 Ca 0.37 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1bkg h GLU 290 Cb 0.37 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1bkg h GLU 290 CO -0.26 0.85 0.05 1.98 -1.16 0.00 0.00 179.01 180.46 1bkg h MET 291 N 0.82 0.76 -0.26 2.33 4.05 -0.82 -2.87 114.93 118.93 1bkg h MET 291 Ca 0.18 -0.22 -0.10 0.00 -0.28 0.00 0.00 59.70 59.29 1bkg h MET 291 Cb 0.34 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1bkg h MET 291 CO 0.00 0.79 -0.21 0.00 0.23 0.00 0.00 176.91 177.72 1bkg h ALA 292 N 0.93 0.38 -0.39 0.39 0.00 -0.98 -3.04 119.26 116.55 1bkg h ALA 292 Ca 0.13 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1bkg h ALA 292 Cb 0.42 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1bkg h ALA 292 CO 0.01 0.33 0.11 -0.09 0.00 0.00 0.00 179.25 179.61 1bkg h ARG 293 N 0.33 0.24 0.00 0.00 2.43 -1.31 -1.08 114.38 115.00 1bkg h ARG 293 Ca 0.05 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1bkg h ARG 293 Cb 0.76 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1bkg h ARG 293 CO 0.06 0.16 -0.27 0.93 -1.51 0.00 0.00 179.97 179.33 1bkg h GLU 294 N 0.25 0.00 -0.28 0.20 4.39 -1.57 0.52 114.58 118.09 1bkg h GLU 294 Ca 0.18 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.73 1bkg h GLU 294 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1bkg h GLU 294 CO -0.21 0.27 -0.44 0.00 -1.16 0.00 0.00 179.01 177.47 1bkg h ALA 295 N 1.73 0.43 -0.36 3.43 0.00 -1.20 -1.74 119.26 121.55 1bkg h ALA 295 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1bkg h ALA 295 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bkg h ALA 295 CO 0.04 0.56 -0.10 1.88 0.00 0.00 0.00 179.25 181.63 1bkg h TYR 296 N 0.55 0.78 -0.53 0.00 0.05 -0.90 -1.80 116.97 115.11 1bkg h TYR 296 Ca 0.02 -0.17 0.05 0.00 0.05 0.00 0.00 58.73 58.68 1bkg h TYR 296 Cb 1.04 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 38.54 1bkg h TYR 296 CO 0.08 0.85 0.27 -0.09 -1.05 0.00 0.00 178.16 178.22 1bkg h ARG 297 N 0.48 0.52 -0.36 4.88 2.43 -0.87 0.26 114.38 121.72 1bkg h ARG 297 Ca 0.09 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1bkg h ARG 297 Cb 0.61 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1bkg h ARG 297 CO 0.04 0.34 0.10 -0.09 -1.51 0.00 0.00 179.97 178.84 1bkg h ARG 298 N 0.53 0.52 0.06 0.20 2.43 -1.15 -1.93 114.38 115.03 1bkg h ARG 298 Ca 0.23 -0.08 -0.24 0.00 -0.81 0.00 0.00 59.98 59.09 1bkg h ARG 298 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1bkg h ARG 298 CO -0.16 0.47 -1.07 0.00 -1.51 0.00 0.00 179.97 177.70 1bkg h ARG 299 N 0.51 0.20 0.79 0.20 3.08 -0.33 -2.75 114.38 116.08 1bkg h ARG 299 Ca 0.12 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1bkg h ARG 299 Cb 0.18 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.34 1bkg h ARG 299 CO -0.01 1.09 -0.38 -0.09 -1.07 0.00 0.00 179.97 179.52 1bkg h ARG 300 N 0.07 -1.02 -0.92 0.04 2.43 0.00 -1.32 114.38 113.67 1bkg h ARG 300 Ca -0.08 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1bkg h ARG 300 Cb 1.78 0.23 -0.09 0.00 -0.42 0.00 0.00 29.97 31.47 1bkg h ARG 300 CO 0.17 -0.67 0.53 -0.44 -1.51 0.00 0.00 179.97 178.05 1bkg h ASP 301 N -1.13 0.72 0.07 -3.80 3.32 -1.46 0.26 116.42 114.40 1bkg h ASP 301 Ca -0.11 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1bkg h ASP 301 Cb 0.82 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1bkg h ASP 301 CO 0.18 0.33 -0.03 0.25 -1.72 0.00 0.00 179.24 178.25 1bkg h LEU 302 N 0.78 -0.08 0.42 1.55 6.46 -1.34 -1.66 115.31 121.45 1bkg h LEU 302 Ca 0.49 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 1bkg h LEU 302 Cb 0.62 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1bkg h LEU 302 CO -0.32 0.01 -0.21 0.25 -0.62 0.00 0.00 178.44 177.55 1bkg h LEU 303 N -0.16 -0.51 -0.93 2.25 6.46 -0.15 -2.73 115.31 119.54 1bkg h LEU 303 Ca -0.01 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1bkg h LEU 303 Cb 0.13 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 1bkg h LEU 303 CO 0.02 -0.35 0.59 -0.07 -0.62 0.00 0.00 178.44 178.00 1bkg h LEU 304 N -0.58 0.95 -0.96 2.25 3.38 -0.98 -1.40 115.31 117.98 1bkg h LEU 304 Ca -0.06 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1bkg h LEU 304 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1bkg h LEU 304 CO 0.09 0.62 0.15 -0.33 0.09 0.00 0.00 178.44 179.05 1bkg h GLU 305 N 1.09 0.91 -0.26 1.13 5.08 -1.25 -1.45 114.58 119.82 1bkg h GLU 305 Ca 0.40 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1bkg h GLU 305 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bkg h GLU 305 CO -0.16 0.81 -0.39 0.78 -1.00 0.00 0.00 179.01 179.05 1bkg h GLY 306 N 1.01 0.66 0.63 -3.84 0.00 -1.02 -1.91 103.07 98.60 1bkg h GLY 306 Ca 0.19 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1bkg h GLY 306 CO -0.00 0.59 -0.02 1.41 0.00 0.00 0.00 176.54 178.52 1bkg h LEU 307 N 0.50 0.09 -0.79 3.11 3.38 -1.02 -2.31 115.31 118.27 1bkg h LEU 307 Ca 0.05 -0.41 0.15 0.00 0.09 0.00 0.00 57.88 57.76 1bkg h LEU 307 Cb 0.89 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1bkg h LEU 307 CO 0.08 0.48 0.34 0.74 0.09 0.00 0.00 178.44 180.17 1bkg h THR 308 N -0.30 0.66 -0.02 0.22 2.02 -1.19 0.12 112.91 114.41 1bkg h THR 308 Ca 0.01 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 1bkg h THR 308 Cb 0.44 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1bkg h THR 308 CO 0.01 0.09 -0.38 0.00 0.37 0.00 0.00 175.52 175.60 1bkg h ALA 309 N 1.57 1.33 -0.00 6.16 0.00 -1.25 -2.30 119.26 124.77 1bkg h ALA 309 Ca 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bkg h ALA 309 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1bkg h ALA 309 CO -0.41 0.49 -0.21 1.28 0.00 0.00 0.00 179.25 180.41 1bkg n LEU 310 N -4.08 0.65 0.00 0.00 4.77 0.23 -4.94 117.00 113.64 1bkg n LEU 310 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1bkg n LEU 310 Cb 0.42 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1bkg n LEU 310 CO 0.39 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1bkg n GLY 311 N 1.34 0.38 3.77 -0.72 0.00 -0.15 -5.04 105.19 104.76 1bkg n GLY 311 Ca 0.12 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1bkg n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkg s LEU 312 N 0.00 4.15 0.27 0.99 1.43 -0.83 -4.99 118.68 119.70 1bkg s LEU 312 Ca 0.00 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 1bkg s LEU 312 Cb 0.00 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1bkg s LEU 312 CO 0.00 0.29 0.62 -0.54 0.23 0.00 0.00 176.35 176.94 1bkg s LYS 313 N -0.29 3.85 -0.29 1.70 -0.14 -1.26 -4.12 119.74 119.19 1bkg s LYS 313 Ca 0.10 0.39 -0.17 0.00 -1.36 0.00 0.00 55.97 54.93 1bkg s LYS 313 Cb -0.12 -2.57 0.16 0.00 -1.68 0.00 0.00 37.83 33.63 1bkg s LYS 313 CO 0.01 0.24 1.06 0.00 -0.76 0.00 0.00 175.35 175.91 1bkg s ALA 314 N -1.91 -2.35 0.11 5.17 0.00 -1.26 -1.05 121.76 120.47 1bkg s ALA 314 Ca 0.49 2.12 -0.31 0.00 0.00 0.00 0.00 51.96 54.26 1bkg s ALA 314 Cb -0.11 -1.77 -0.07 0.00 0.00 0.00 0.00 23.12 21.17 1bkg s ALA 314 CO 0.21 -0.32 1.33 0.08 0.00 0.00 0.00 175.76 177.05 1bkg s VAL 315 N 1.16 3.47 -0.34 0.00 1.01 -1.26 -4.94 120.40 119.51 1bkg s VAL 315 Ca -0.08 1.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 1bkg s VAL 315 Cb -0.03 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1bkg s VAL 315 CO -0.13 0.10 1.94 -0.60 0.00 0.00 0.00 175.10 176.40 1bkg s ARG 316 N 0.91 3.14 0.43 2.72 3.52 -1.26 -4.73 118.95 123.68 1bkg s ARG 316 Ca 0.62 1.49 -0.25 0.00 -0.13 0.00 0.00 55.73 57.46 1bkg s ARG 316 Cb -0.35 -4.28 -0.08 0.00 -1.56 0.00 0.00 34.95 28.68 1bkg s ARG 316 CO 0.31 -2.09 1.22 -1.25 -0.81 0.00 0.00 175.30 172.68 1bkg s PRO 317 N 6.12 3.88 0.00 5.12 0.04 -1.26 -4.95 135.00 143.94 1bkg s PRO 317 Ca 0.84 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.89 1bkg s PRO 317 Cb -0.24 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.76 1bkg s PRO 317 CO 0.32 -0.50 0.70 0.43 0.04 0.00 0.00 177.00 177.99 1bkg n SER 318 N -0.15 1.52 -3.08 6.66 7.64 -0.45 -4.93 113.62 120.82 1bkg n SER 318 Ca 0.05 -1.26 -0.07 0.00 1.01 0.00 0.00 58.87 58.60 1bkg n SER 318 Cb 0.46 -0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.68 1bkg n SER 318 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bkg s GLY 319 N -0.52 0.28 0.00 0.23 0.00 -0.72 -0.63 107.32 105.96 1bkg s GLY 319 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1bkg s GLY 319 CO 0.08 0.50 0.00 0.00 0.00 0.00 0.00 173.10 173.68 1bkg n ALA 320 N -0.58 0.00 -2.59 3.20 0.00 0.10 -4.48 120.51 116.16 1bkg n ALA 320 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1bkg n ALA 320 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.08 1bkg n ALA 320 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bkg n PHE 321 N -0.99 1.81 -4.29 0.00 1.16 -1.26 -4.89 117.46 109.01 1bkg n PHE 321 Ca 0.00 -2.59 -0.16 0.00 -1.87 0.00 0.00 57.45 52.83 1bkg n PHE 321 Cb 0.00 -0.28 -0.10 0.00 -1.61 0.00 0.00 39.48 37.49 1bkg n PHE 321 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1bkg s TYR 322 N -3.46 1.47 -0.07 2.97 2.02 -1.26 -2.04 117.35 116.98 1bkg s TYR 322 Ca 0.34 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1bkg s TYR 322 Cb 0.40 -0.71 0.04 0.00 -0.40 0.00 0.00 41.96 41.29 1bkg s TYR 322 CO -0.03 0.21 0.16 0.08 -1.57 0.00 0.00 175.55 174.40 1bkg s VAL 323 N -3.13 -0.04 -0.33 0.71 1.01 -0.22 -4.37 120.40 114.04 1bkg s VAL 323 Ca 0.19 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1bkg s VAL 323 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 1bkg s VAL 323 CO 0.03 0.06 0.45 -0.76 0.00 0.00 0.00 175.10 174.89 1bkg s LEU 324 N 1.04 4.30 -0.19 3.92 1.43 -1.26 -0.77 118.68 127.14 1bkg s LEU 324 Ca -0.08 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1bkg s LEU 324 Cb -0.10 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1bkg s LEU 324 CO -0.05 -0.38 0.06 -0.32 0.23 0.00 0.00 176.35 175.89 1bkg s MET 325 N 2.23 3.93 -0.20 1.70 -2.45 0.11 -4.00 119.30 120.61 1bkg s MET 325 Ca 0.16 -0.37 -0.29 0.00 -1.25 0.00 0.00 55.69 53.95 1bkg s MET 325 Cb -0.16 -3.22 -0.02 0.00 1.25 0.00 0.00 34.83 32.68 1bkg s MET 325 CO 0.12 0.22 1.53 0.34 1.05 0.00 0.00 175.02 178.28 1bkg s ASP 326 N 0.52 6.52 -0.06 1.11 -1.08 -0.22 -1.42 116.67 122.06 1bkg s ASP 326 Ca 0.03 1.64 0.13 0.00 -0.52 0.00 0.00 52.55 53.83 1bkg s ASP 326 Cb -0.13 -2.53 0.47 0.00 -1.46 0.00 0.00 42.92 39.27 1bkg s ASP 326 CO 0.01 -1.13 1.34 0.35 0.52 0.00 0.00 175.17 176.26 1bkg n THR 327 N 6.14 1.09 -0.24 1.71 -2.24 -0.73 -4.27 114.28 115.75 1bkg n THR 327 Ca 0.17 -0.75 0.03 0.00 -2.27 0.00 0.00 64.05 61.23 1bkg n THR 327 Cb 0.45 0.07 0.16 0.00 -2.10 0.00 0.00 70.33 68.90 1bkg n THR 327 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1bkg h SER 328 N 2.76 0.28 0.05 3.42 0.02 -1.75 -0.83 113.55 117.50 1bkg h SER 328 Ca 0.00 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1bkg h SER 328 Cb 0.96 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 1bkg h SER 328 CO 0.12 0.13 -0.02 -0.65 -1.14 0.00 0.00 176.83 175.27 1bkg h PRO 329 N 0.45 0.00 0.13 3.45 0.11 -1.94 -3.16 132.00 131.04 1bkg h PRO 329 Ca 0.37 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.12 1bkg h PRO 329 Cb 0.52 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1bkg h PRO 329 CO -0.36 0.02 -1.98 0.82 -0.21 0.00 0.00 178.00 176.29 1bkg h ILE 330 N 0.00 0.64 -2.75 4.15 2.04 -1.53 -3.49 117.51 116.56 1bkg h ILE 330 Ca -0.00 -2.35 0.10 0.00 1.00 0.00 0.00 64.86 63.61 1bkg h ILE 330 Cb 0.06 2.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 1bkg h ILE 330 CO 0.00 0.90 0.34 0.00 0.00 0.00 0.00 178.15 179.39 1bkg s ALA 331 N -2.56 -1.33 -0.55 1.87 0.00 -0.63 -4.89 121.76 113.68 1bkg s ALA 331 Ca -0.22 -0.22 0.25 0.00 0.00 0.00 0.00 51.96 51.78 1bkg s ALA 331 Cb 0.07 0.76 0.89 0.00 0.00 0.00 0.00 23.12 24.83 1bkg s ALA 331 CO 0.78 -1.04 1.76 -1.00 0.00 0.00 0.00 175.76 176.25 1bkg h PRO 332 N 2.00 0.00 -3.12 0.00 0.13 -1.84 -3.35 132.00 125.82 1bkg h PRO 332 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1bkg h PRO 332 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 1bkg h PRO 332 CO 0.27 0.00 -0.11 0.16 -0.23 0.00 0.00 178.00 178.09 1bkg s ASP 333 N -4.63 -0.26 0.40 1.44 -4.77 -1.26 -4.95 116.67 102.64 1bkg s ASP 333 Ca 0.07 -0.07 0.12 0.00 -3.30 0.00 0.00 52.55 49.36 1bkg s ASP 333 Cb 0.10 0.43 0.93 0.00 -1.09 0.00 0.00 42.92 43.30 1bkg s ASP 333 CO 0.52 -0.70 1.93 -0.33 0.70 0.00 0.00 175.17 177.29 1bkg h GLU 334 N 2.91 0.53 -0.08 2.11 3.07 -1.87 0.85 114.58 122.09 1bkg h GLU 334 Ca -0.32 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.49 1bkg h GLU 334 Cb 1.21 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1bkg h GLU 334 CO 0.44 0.35 -0.05 0.28 -1.40 0.00 0.00 179.01 178.63 1bkg h VAL 335 N 0.54 1.33 -0.41 3.13 2.07 -1.97 0.12 116.25 121.07 1bkg h VAL 335 Ca 0.35 -1.09 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 1bkg h VAL 335 Cb 0.63 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1bkg h VAL 335 CO -0.12 0.30 -0.17 -0.09 0.02 0.00 0.00 177.57 177.51 1bkg h ARG 336 N -0.21 0.76 -0.55 1.57 9.65 -1.90 -1.95 114.38 121.74 1bkg h ARG 336 Ca 0.02 -0.28 -0.05 0.00 -1.10 0.00 0.00 59.98 58.57 1bkg h ARG 336 Cb 0.51 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1bkg h ARG 336 CO 0.01 0.88 0.16 0.00 2.80 0.00 0.00 179.97 183.82 1bkg h ALA 337 N 1.13 0.73 0.00 2.80 0.00 -0.79 -1.58 119.26 121.55 1bkg h ALA 337 Ca 0.11 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1bkg h ALA 337 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bkg h ALA 337 CO 0.05 0.41 -0.36 0.00 0.00 0.00 0.00 179.25 179.34 1bkg h ALA 338 N 1.03 1.33 -0.25 0.00 0.00 -0.55 -2.36 119.26 118.46 1bkg h ALA 338 Ca 0.18 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1bkg h ALA 338 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bkg h ALA 338 CO -0.00 0.45 -0.12 0.93 0.00 0.00 0.00 179.25 180.51 1bkg h GLU 339 N 0.00 0.52 -0.57 0.00 5.08 -0.70 -2.11 114.58 116.80 1bkg h GLU 339 Ca -0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1bkg h GLU 339 Cb 0.67 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1bkg h GLU 339 CO 0.05 0.78 0.27 0.00 -1.00 0.00 0.00 179.01 179.11 1bkg h ARG 340 N 0.25 0.82 -0.72 2.33 3.08 -1.07 -2.46 114.38 116.61 1bkg h ARG 340 Ca 0.06 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1bkg h ARG 340 Cb 0.62 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1bkg h ARG 340 CO 0.04 0.67 0.31 -0.07 -1.07 0.00 0.00 179.97 179.85 1bkg h LEU 341 N 0.77 0.98 -0.52 3.04 3.38 -1.41 -1.09 115.31 120.45 1bkg h LEU 341 Ca 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1bkg h LEU 341 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1bkg h LEU 341 CO -0.02 0.87 0.29 0.25 0.09 0.00 0.00 178.44 179.91 1bkg h LEU 342 N 1.03 0.66 -1.42 1.67 6.46 -0.94 0.73 115.31 123.49 1bkg h LEU 342 Ca 0.24 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1bkg h LEU 342 Cb 0.18 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1bkg h LEU 342 CO -0.02 0.56 -0.27 -0.08 -0.62 0.00 0.00 178.44 178.01 1bkg h GLU 343 N 0.70 0.00 -0.00 1.25 4.81 -1.10 -1.28 114.58 118.95 1bkg h GLU 343 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1bkg h GLU 343 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1bkg h GLU 343 CO -0.03 0.27 0.00 0.00 -0.73 0.00 0.00 179.01 178.52 1bkg n ALA 344 N -2.35 2.64 -0.42 2.92 0.00 -0.19 -4.87 120.51 118.24 1bkg n ALA 344 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1bkg n ALA 344 Cb 0.37 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1bkg n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 345 N 0.90 0.74 2.89 0.00 0.00 -0.48 -4.86 105.19 104.38 1bkg n GLY 345 Ca 0.19 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1bkg n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bkg s VAL 346 N -2.00 0.87 -0.25 1.61 1.01 0.07 -0.89 120.40 120.82 1bkg s VAL 346 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1bkg s VAL 346 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1bkg s VAL 346 CO 0.00 0.33 0.29 0.00 0.00 0.00 0.00 175.10 175.72 1bkg s ALA 347 N 1.56 3.57 0.32 5.51 0.00 -0.32 -2.28 121.76 130.12 1bkg s ALA 347 Ca 0.01 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1bkg s ALA 347 Cb -0.13 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 1bkg s ALA 347 CO -0.05 -0.44 -0.01 0.14 0.00 0.00 0.00 175.76 175.39 1bkg s VAL 348 N 1.59 1.61 -0.30 0.00 -7.23 -1.26 -1.33 120.40 113.47 1bkg s VAL 348 Ca 0.13 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 1bkg s VAL 348 Cb -0.15 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1bkg s VAL 348 CO 0.08 -0.14 0.18 -0.69 -0.31 0.00 0.00 175.10 174.23 1bkg s VAL 349 N -3.01 4.99 0.52 1.32 1.01 -1.12 -4.94 120.40 119.17 1bkg s VAL 349 Ca 0.33 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 1bkg s VAL 349 Cb 0.06 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1bkg s VAL 349 CO 0.15 0.13 1.36 -2.16 0.00 0.00 0.00 175.10 174.57 1bkg s PRO 350 N 1.69 3.31 0.00 2.72 0.04 -1.26 -0.55 135.00 140.95 1bkg s PRO 350 Ca 0.06 2.24 0.25 0.00 0.04 0.00 0.00 61.00 63.59 1bkg s PRO 350 Cb -0.17 -2.36 1.49 0.00 0.04 0.00 0.00 34.50 33.51 1bkg s PRO 350 CO 0.09 -1.06 1.88 0.41 0.04 0.00 0.00 177.00 178.36 1bkg n GLY 351 N 0.68 -0.86 0.28 0.56 0.00 -0.35 -4.36 105.19 101.14 1bkg n GLY 351 Ca 0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1bkg n GLY 351 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bkg h THR 352 N 0.00 0.00 0.00 2.61 2.02 -1.80 0.60 112.91 116.33 1bkg h THR 352 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1bkg h THR 352 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1bkg h THR 352 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 1bkg n ASP 353 N -4.37 0.19 -0.26 4.18 8.00 -1.26 -0.81 116.55 122.21 1bkg n ASP 353 Ca -0.02 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1bkg n ASP 353 Cb 0.21 -0.59 0.29 0.00 -0.02 0.00 0.00 41.12 41.01 1bkg n ASP 353 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bkg n PHE 354 N -1.72 0.00 -1.31 1.24 3.72 -0.38 -4.47 117.46 114.54 1bkg n PHE 354 Ca 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.33 1bkg n PHE 354 Cb 0.14 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 1bkg n PHE 354 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bkg n ALA 355 N -0.65 -0.14 -3.04 4.37 0.00 0.01 -1.40 120.51 119.65 1bkg n ALA 355 Ca 0.11 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 1bkg n ALA 355 Cb 0.37 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1bkg n ALA 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bkg n ALA 356 N 0.99 5.08 -1.75 0.00 0.00 0.06 -4.66 120.51 120.24 1bkg n ALA 356 Ca -0.09 -4.80 -0.36 0.00 0.00 0.00 0.00 53.44 48.20 1bkg n ALA 356 Cb 0.30 -2.17 0.02 0.00 0.00 0.00 0.00 19.45 17.61 1bkg n ALA 356 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1bkg s PHE 357 N -2.82 2.47 0.00 0.00 0.08 -1.26 -2.68 117.98 113.78 1bkg s PHE 357 Ca 0.32 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.90 1bkg s PHE 357 Cb 0.07 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 1bkg s PHE 357 CO 0.09 -2.03 0.00 0.41 -0.10 0.00 0.00 175.22 173.59 1bkg n GLY 358 N 0.39 0.73 3.44 4.36 0.00 -1.26 -4.98 105.19 107.87 1bkg n GLY 358 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1bkg n GLY 358 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bkg s HIS 359 N -3.17 1.96 0.02 1.61 3.76 -1.09 -1.77 115.29 116.60 1bkg s HIS 359 Ca 0.00 -0.82 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 1bkg s HIS 359 Cb 0.00 -1.21 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1bkg s HIS 359 CO 0.00 0.16 -0.04 0.54 -0.85 0.00 0.00 174.74 174.55 1bkg s VAL 360 N -3.14 0.28 -0.23 -0.90 0.11 -0.50 -1.21 120.40 114.80 1bkg s VAL 360 Ca 0.32 -0.63 -0.10 0.00 -2.93 0.00 0.00 61.98 58.64 1bkg s VAL 360 Cb 0.06 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1bkg s VAL 360 CO 0.13 -0.23 0.15 -0.60 -3.33 0.00 0.00 175.10 171.22 1bkg s ARG 361 N -0.92 4.07 0.10 1.54 3.52 0.29 -0.71 118.95 126.83 1bkg s ARG 361 Ca -0.07 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 1bkg s ARG 361 Cb -0.06 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1bkg s ARG 361 CO -0.00 0.10 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.07 1bkg s LEU 362 N 0.94 3.42 -0.10 -0.88 1.43 0.05 -2.81 118.68 120.72 1bkg s LEU 362 Ca 0.07 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1bkg s LEU 362 Cb -0.13 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1bkg s LEU 362 CO 0.03 0.17 -0.21 -0.44 0.23 0.00 0.00 176.35 176.13 1bkg s SER 363 N -2.33 2.86 -0.65 2.29 0.01 -0.44 -1.06 113.70 114.37 1bkg s SER 363 Ca 0.25 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1bkg s SER 363 Cb -0.12 -1.31 0.44 0.00 0.21 0.00 0.00 66.02 65.24 1bkg s SER 363 CO 0.18 0.12 1.94 0.00 0.41 0.00 0.00 173.24 175.88 1bkg n TYR 364 N 3.72 3.16 -1.51 2.43 0.18 -0.87 -4.57 117.16 119.71 1bkg n TYR 364 Ca -0.20 -2.87 -0.35 0.00 1.88 0.00 0.00 57.90 56.36 1bkg n TYR 364 Cb 0.52 -1.29 0.07 0.00 -0.38 0.00 0.00 39.34 38.26 1bkg n TYR 364 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1bkg n ALA 365 N -0.84 6.26 -2.28 -3.48 0.00 -1.26 -4.82 120.51 114.08 1bkg n ALA 365 Ca 0.60 -3.64 -0.18 0.00 0.00 0.00 0.00 53.44 50.22 1bkg n ALA 365 Cb 0.64 -1.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 1bkg n ALA 365 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bkg s THR 366 N -4.87 0.10 0.73 0.00 -4.23 -1.26 -4.03 115.64 102.07 1bkg s THR 366 Ca 0.61 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.97 1bkg s THR 366 Cb 0.49 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.86 1bkg s THR 366 CO -0.09 0.00 1.16 -1.54 -0.54 0.00 0.00 174.62 173.61 1bkg n SER 367 N -1.06 1.19 0.21 3.99 3.41 -1.26 -4.82 113.62 115.29 1bkg n SER 367 Ca 0.04 0.69 0.06 0.00 -0.26 0.00 0.00 58.87 59.41 1bkg n SER 367 Cb 0.64 -1.49 0.56 0.00 -0.26 0.00 0.00 64.21 63.66 1bkg n SER 367 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bkg h GLU 368 N -0.22 0.07 -0.39 4.33 5.08 -1.98 -1.67 114.58 119.79 1bkg h GLU 368 Ca -0.48 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1bkg h GLU 368 Cb 1.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1bkg h GLU 368 CO 0.49 0.12 0.07 1.49 -1.00 0.00 0.00 179.01 180.18 1bkg h GLU 369 N 0.07 0.63 -0.51 2.33 4.81 -1.99 -0.89 114.58 119.02 1bkg h GLU 369 Ca 0.02 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1bkg h GLU 369 Cb 0.13 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1bkg h GLU 369 CO 0.01 0.68 0.25 -0.91 -0.73 0.00 0.00 179.01 178.30 1bkg h ASN 370 N 0.48 0.67 -0.16 1.04 2.35 -1.67 0.10 115.58 118.40 1bkg h ASN 370 Ca 0.12 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1bkg h ASN 370 Cb 0.35 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1bkg h ASN 370 CO 0.01 0.62 0.08 -0.07 -1.65 0.00 0.00 177.43 176.41 1bkg h LEU 371 N 0.68 0.12 -0.77 1.61 3.38 -1.25 0.15 115.31 119.24 1bkg h LEU 371 Ca 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1bkg h LEU 371 Cb 0.12 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1bkg h LEU 371 CO -0.02 0.09 0.42 0.03 0.09 0.00 0.00 178.44 179.05 1bkg h ARG 372 N 0.17 1.08 -0.78 1.13 3.08 -0.97 -0.48 114.38 117.60 1bkg h ARG 372 Ca 0.06 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1bkg h ARG 372 Cb 0.01 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 1bkg h ARG 372 CO -0.04 0.81 0.29 -0.22 -1.07 0.00 0.00 179.97 179.74 1bkg h LYS 373 N 1.07 1.19 -0.45 0.04 3.64 -0.35 -2.37 116.57 119.34 1bkg h LYS 373 Ca 0.27 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1bkg h LYS 373 Cb 0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1bkg h LYS 373 CO -0.04 0.97 -0.24 0.00 -2.27 0.00 0.00 179.45 177.87 1bkg h ALA 374 N 1.16 0.63 0.00 5.00 0.00 -0.16 -2.86 119.26 123.03 1bkg h ALA 374 Ca 0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1bkg h ALA 374 Cb 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bkg h ALA 374 CO -0.02 0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 179.73 1bkg h LEU 375 N 0.80 0.00 -0.13 0.00 3.38 -0.77 -1.25 115.31 117.34 1bkg h LEU 375 Ca 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1bkg h LEU 375 Cb 0.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1bkg h LEU 375 CO 0.07 0.07 -0.58 -0.33 0.09 0.00 0.00 178.44 177.76 1bkg h GLU 376 N 0.00 0.62 -0.06 1.13 5.08 -1.21 -2.70 114.58 117.44 1bkg h GLU 376 Ca -0.00 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 1bkg h GLU 376 Cb 0.16 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1bkg h GLU 376 CO 0.01 1.11 -0.43 0.00 -1.00 0.00 0.00 179.01 178.70 1bkg h ARG 377 N 0.27 0.13 -0.38 2.33 3.08 -1.31 -2.01 114.38 116.50 1bkg h ARG 377 Ca -0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1bkg h ARG 377 Cb 1.21 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1bkg h ARG 377 CO 0.12 0.55 0.15 0.74 -1.07 0.00 0.00 179.97 180.45 1bkg h PHE 378 N 0.11 0.58 0.15 3.04 0.04 -1.26 -2.02 116.94 117.59 1bkg h PHE 378 Ca 0.01 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1bkg h PHE 378 Cb 0.81 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.75 1bkg h PHE 378 CO 0.01 0.53 -0.47 0.00 -0.60 0.00 0.00 178.31 177.77 1bkg h ALA 379 N 0.99 -0.88 -0.26 2.45 0.00 -1.06 -1.83 119.26 118.67 1bkg h ALA 379 Ca 0.13 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1bkg h ALA 379 Cb 0.19 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1bkg h ALA 379 CO -0.01 -1.06 0.17 0.07 0.00 0.00 0.00 179.25 178.42 1bkg h ARG 380 N -0.73 0.19 -0.59 0.00 0.11 -1.23 -0.24 114.38 111.89 1bkg h ARG 380 Ca 0.00 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 1bkg h ARG 380 Cb 0.73 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.74 1bkg h ARG 380 CO -0.25 0.12 0.17 0.28 0.10 0.00 0.00 179.97 180.40 1bkg h VAL 381 N 0.19 1.23 -0.01 0.08 2.07 -0.60 -3.52 116.25 115.70 1bkg h VAL 381 Ca 0.11 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1bkg h VAL 381 Cb 0.20 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1bkg h VAL 381 CO -0.02 0.31 0.00 0.18 0.02 0.00 0.00 177.57 178.06