#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 2.73 0.00 2.12 0.52 -1.26 -5.10 118.95 117.96 1bkg s ARG 2 Ca 0.00 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1bkg s ARG 2 Cb 0.00 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.77 1bkg s ARG 2 CO 0.00 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.39 1bkg n GLY 3 N -1.87 4.55 3.84 -3.53 0.00 -1.26 -5.12 105.19 101.81 1bkg n GLY 3 Ca 0.08 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 3.36 0.83 0.99 1.43 -1.26 -5.04 118.68 118.99 1bkg s LEU 4 Ca 0.00 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 1bkg s LEU 4 Cb 0.00 -4.50 0.09 0.00 0.03 0.00 0.00 46.19 41.81 1bkg s LEU 4 CO 0.00 -0.96 1.09 -0.94 0.23 0.00 0.00 176.35 175.77 1bkg s SER 5 N -3.57 4.16 0.07 2.29 1.04 -1.26 -4.93 113.70 111.50 1bkg s SER 5 Ca 0.58 1.47 -0.17 0.00 0.48 0.00 0.00 55.95 58.31 1bkg s SER 5 Cb -0.12 -2.19 -0.11 0.00 0.10 0.00 0.00 66.02 63.70 1bkg s SER 5 CO 0.45 -2.20 1.38 -0.09 0.98 0.00 0.00 173.24 173.76 1bkg h ARG 6 N -1.25 0.55 -0.96 4.02 2.43 -1.98 -2.45 114.38 114.74 1bkg h ARG 6 Ca -0.47 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 58.41 1bkg h ARG 6 Cb 1.26 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 1bkg h ARG 6 CO 0.56 0.88 0.64 0.07 -1.51 0.00 0.00 179.97 180.61 1bkg h ARG 7 N 0.23 1.26 0.00 0.20 0.11 -1.96 -0.17 114.38 114.04 1bkg h ARG 7 Ca 0.03 -0.08 -0.10 0.00 0.10 0.00 0.00 59.98 59.94 1bkg h ARG 7 Cb 0.79 -0.28 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 1bkg h ARG 7 CO 0.06 0.83 -0.48 -0.24 0.10 0.00 0.00 179.97 180.24 1bkg h VAL 8 N 1.29 0.98 0.00 0.08 3.04 -1.94 -2.58 116.25 117.13 1bkg h VAL 8 Ca 0.36 -1.91 -0.09 0.00 -1.01 0.00 0.00 66.70 64.05 1bkg h VAL 8 Cb -0.14 2.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1bkg h VAL 8 CO -0.08 0.47 -0.42 1.56 -1.01 0.00 0.00 177.57 178.09 1bkg h GLN 9 N 0.00 0.00 0.00 4.17 4.20 -0.66 -3.20 115.11 119.62 1bkg h GLN 9 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1bkg h GLN 9 Cb 1.12 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 1bkg h GLN 9 CO 0.06 0.42 -1.18 0.00 -0.67 0.00 0.00 178.83 177.46 1bkg h ALA 10 N 1.58 0.54 -2.81 3.87 0.00 -0.93 -3.47 119.26 118.04 1bkg h ALA 10 Ca -0.00 -1.01 -0.52 0.00 0.00 0.00 0.00 54.91 53.37 1bkg h ALA 10 Cb 1.09 0.08 0.05 0.00 0.00 0.00 0.00 17.79 19.01 1bkg h ALA 10 CO 0.05 1.24 0.63 1.41 0.00 0.00 0.00 179.25 182.59 1bkg s MET 11 N -2.73 4.39 -0.24 0.00 -2.45 -0.99 -5.03 119.30 112.26 1bkg s MET 11 Ca -0.01 2.13 -0.12 0.00 -1.25 0.00 0.00 55.69 56.44 1bkg s MET 11 Cb 0.09 -3.12 -0.05 0.00 1.25 0.00 0.00 34.83 33.00 1bkg s MET 11 CO 0.81 -0.17 0.23 0.15 1.05 0.00 0.00 175.02 177.10 1bkg s LYS 12 N -1.21 4.08 0.49 4.11 1.02 -1.26 -5.00 119.74 121.96 1bkg s LYS 12 Ca 0.51 -0.14 -0.21 0.00 0.02 0.00 0.00 55.97 56.15 1bkg s LYS 12 Cb -0.38 -3.56 -0.07 0.00 -0.52 0.00 0.00 37.83 33.30 1bkg s LYS 12 CO 0.47 -0.01 1.11 -1.25 -0.92 0.00 0.00 175.35 174.75 1bkg s PRO 13 N 1.27 3.68 -0.36 -1.68 0.04 -1.26 -4.82 135.00 131.87 1bkg s PRO 13 Ca 0.11 1.60 -0.33 0.00 0.04 0.00 0.00 61.00 62.42 1bkg s PRO 13 Cb -0.14 -2.22 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 1bkg s PRO 13 CO 0.06 -0.58 1.24 0.45 0.04 0.00 0.00 177.00 178.22 1bkg n SER 14 N -0.81 0.79 0.02 6.66 2.88 -1.26 -4.86 113.62 117.03 1bkg n SER 14 Ca 0.09 0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 58.27 1bkg n SER 14 Cb 0.50 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 4.30 0.52 -0.47 -1.46 0.00 -1.94 -1.91 119.26 118.30 1bkg h ALA 15 Ca -0.25 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 1bkg h ALA 15 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bkg h ALA 15 CO 0.72 0.72 -0.15 1.79 0.00 0.00 0.00 179.25 182.34 1bkg h THR 16 N 0.39 1.27 -0.47 0.00 1.35 -1.98 -1.56 112.91 111.90 1bkg h THR 16 Ca -0.03 -1.29 -0.01 0.00 -0.55 0.00 0.00 66.41 64.53 1bkg h THR 16 Cb 1.30 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1bkg h THR 16 CO 0.13 0.45 0.25 0.58 -0.25 0.00 0.00 175.52 176.67 1bkg h VAL 17 N 0.78 1.18 -0.27 6.82 2.07 -1.93 -2.36 116.25 122.53 1bkg h VAL 17 Ca 0.11 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1bkg h VAL 17 Cb 0.71 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1bkg h VAL 17 CO 0.05 0.19 0.15 0.00 0.02 0.00 0.00 177.57 177.99 1bkg h ALA 18 N 1.09 0.34 0.00 1.67 0.00 -1.17 -2.34 119.26 118.86 1bkg h ALA 18 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1bkg h ALA 18 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bkg h ALA 18 CO -0.02 -0.14 -0.18 -0.39 0.00 0.00 0.00 179.25 178.52 1bkg h VAL 19 N 0.33 0.53 -0.18 0.00 -1.51 -1.19 -2.63 116.25 111.60 1bkg h VAL 19 Ca 0.10 -0.87 -0.15 0.00 -1.23 0.00 0.00 66.70 64.54 1bkg h VAL 19 Cb 0.04 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1bkg h VAL 19 CO -0.02 0.17 -0.49 0.78 -1.23 0.00 0.00 177.57 176.79 1bkg h ASN 20 N 0.00 0.75 -0.69 4.19 2.35 -1.11 -2.42 115.58 118.64 1bkg h ASN 20 Ca -0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1bkg h ASN 20 Cb 0.58 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1bkg h ASN 20 CO 0.02 1.19 0.43 0.00 -1.65 0.00 0.00 177.43 177.42 1bkg h ALA 21 N 0.57 0.87 -0.37 -0.83 0.00 -1.16 -0.83 119.26 117.52 1bkg h ALA 21 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1bkg h ALA 21 Cb 1.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1bkg h ALA 21 CO 0.11 0.33 0.17 -0.22 0.00 0.00 0.00 179.25 179.63 1bkg h LYS 22 N 0.93 0.54 0.00 0.00 3.11 -1.44 0.15 116.57 119.86 1bkg h LYS 22 Ca 0.25 -0.09 -0.08 0.00 -2.81 0.00 0.00 60.65 57.93 1bkg h LYS 22 Cb -0.06 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 1bkg h LYS 22 CO -0.05 0.50 -0.36 0.00 -2.81 0.00 0.00 179.45 176.73 1bkg h ALA 23 N 1.01 1.24 0.12 5.00 0.00 -1.22 -1.44 119.26 123.97 1bkg h ALA 23 Ca 0.13 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 1bkg h ALA 23 Cb 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1bkg h ALA 23 CO -0.01 0.45 -1.22 1.25 0.00 0.00 0.00 179.25 179.72 1bkg h LEU 24 N 0.00 0.63 -0.86 0.00 5.85 -0.68 -3.18 115.31 117.08 1bkg h LEU 24 Ca -0.00 -0.61 -0.12 0.00 0.84 0.00 0.00 57.88 57.99 1bkg h LEU 24 Cb 0.71 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1bkg h LEU 24 CO 0.05 1.45 -0.56 1.05 -0.34 0.00 0.00 178.44 180.08 1bkg h GLU 25 N 0.17 0.00 -0.33 1.25 4.11 -0.45 -2.90 114.58 116.44 1bkg h GLU 25 Ca -0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.18 1bkg h GLU 25 Cb 1.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.14 1bkg h GLU 25 CO 0.22 0.56 -0.17 -0.07 0.07 0.00 0.00 179.01 179.62 1bkg h LEU 26 N 0.00 0.59 -1.01 3.06 3.38 -1.31 -2.43 115.31 117.58 1bkg h LEU 26 Ca -0.01 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1bkg h LEU 26 Cb 1.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1bkg h LEU 26 CO 0.07 0.78 -0.35 0.03 0.09 0.00 0.00 178.44 179.06 1bkg h ARG 27 N 0.54 0.00 -0.13 1.13 3.08 -1.49 -1.93 114.38 115.58 1bkg h ARG 27 Ca 0.09 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 1bkg h ARG 27 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1bkg h ARG 27 CO 0.04 0.35 -0.58 0.00 -1.07 0.00 0.00 179.97 178.71 1bkg h ARG 28 N 0.00 0.41 0.00 0.04 2.47 -1.34 -1.69 114.38 114.28 1bkg h ARG 28 Ca -0.00 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1bkg h ARG 28 Cb 0.85 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1bkg h ARG 28 CO 0.05 0.88 0.00 1.04 0.56 0.00 0.00 179.97 182.49 1bkg n GLN 29 N -3.92 0.31 -0.66 0.04 1.13 -0.84 -4.78 117.38 108.65 1bkg n GLN 29 Ca -0.03 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1bkg n GLN 29 Cb 0.61 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 -0.24 0.78 3.74 1.08 0.00 -0.64 -5.02 105.19 104.90 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 -2.91 2.98 -1.08 1.61 1.01 -0.78 -4.95 120.40 116.28 1bkg s VAL 31 Ca 0.00 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 1bkg s VAL 31 Cb 0.00 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.98 1bkg s VAL 31 CO 0.00 0.13 1.36 -0.62 0.00 0.00 0.00 175.10 175.97 1bkg s ASP 32 N 0.26 6.78 0.09 3.32 2.15 -1.26 -4.27 116.67 123.74 1bkg s ASP 32 Ca 0.57 -2.33 0.07 0.00 0.43 0.00 0.00 52.55 51.29 1bkg s ASP 32 Cb -0.39 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 39.75 1bkg s ASP 32 CO 0.41 -1.04 -0.19 -1.48 -0.17 0.00 0.00 175.17 172.71 1bkg s LEU 33 N 2.85 2.29 -0.29 -1.34 0.05 -1.26 -4.76 118.68 116.22 1bkg s LEU 33 Ca 0.41 -0.66 -0.12 0.00 0.05 0.00 0.00 54.13 53.81 1bkg s LEU 33 Cb -0.02 -0.76 -0.04 0.00 -2.05 0.00 0.00 46.19 43.31 1bkg s LEU 33 CO -0.04 0.01 0.23 -0.69 -0.55 0.00 0.00 176.35 175.31 1bkg s VAL 34 N -1.20 5.28 -0.25 1.48 1.01 -0.16 -4.99 120.40 121.58 1bkg s VAL 34 Ca 0.04 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1bkg s VAL 34 Cb -0.10 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1bkg s VAL 34 CO 0.04 0.19 0.49 0.00 0.00 0.00 0.00 175.10 175.82 1bkg s ALA 35 N 1.81 3.58 -0.26 5.51 0.00 -1.26 -1.27 121.76 129.87 1bkg s ALA 35 Ca 0.08 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.53 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 5.37 3.67 -0.01 0.00 4.77 -0.40 -4.67 117.00 125.73 1bkg n LEU 36 Ca -0.05 -4.05 0.10 0.00 -0.03 0.00 0.00 56.01 51.98 1bkg n LEU 36 Cb 0.50 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 40.91 1bkg n LEU 36 CO 0.40 1.51 -0.46 0.35 -1.33 0.00 0.00 177.39 177.86 1bkg n THR 37 N -1.04 0.00 -1.74 -5.08 -2.24 -1.25 -1.45 114.28 101.49 1bkg n THR 37 Ca 0.29 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1bkg n THR 37 Cb 0.84 0.43 -0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.90 1.85 -1.79 6.98 0.00 -1.26 -4.93 120.51 119.46 1bkg n ALA 38 Ca -0.01 0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.71 1bkg n ALA 38 Cb 0.44 -2.34 0.12 0.00 0.00 0.00 0.00 19.45 17.67 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 0.73 5.74 3.13 0.00 0.00 -1.26 -4.73 105.19 108.80 1bkg n GLY 39 Ca 0.03 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.41 0.42 0.55 1.61 -1.05 -1.26 -5.03 118.70 110.53 1bkg s GLU 40 Ca 0.44 -0.06 -0.20 0.00 -0.15 0.00 0.00 54.97 55.00 1bkg s GLU 40 Cb 0.39 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 34.20 1bkg s GLU 40 CO -0.02 -0.09 0.92 -2.30 0.95 0.00 0.00 175.26 174.72 1bkg n PRO 41 N 2.06 0.99 0.07 -4.83 -0.02 -1.26 -4.90 135.00 127.11 1bkg n PRO 41 Ca -0.18 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 1bkg n PRO 41 Cb 0.57 -2.08 0.13 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.76 0.00 -4.09 2.55 2.03 -1.99 -3.46 116.42 112.22 1bkg h ASP 42 Ca -0.47 -0.18 -0.48 0.00 -0.73 0.00 0.00 57.03 55.17 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 0.09 0.40 -0.36 -1.03 0.00 0.00 179.24 178.86 1bkg s PHE 43 N -3.21 2.89 0.75 4.15 0.08 -1.26 -5.04 117.98 116.35 1bkg s PHE 43 Ca 0.05 1.56 -0.09 0.00 0.12 0.00 0.00 56.93 58.57 1bkg s PHE 43 Cb 0.13 -3.13 0.08 0.00 -0.57 0.00 0.00 43.02 39.52 1bkg s PHE 43 CO 0.74 -1.10 1.08 0.34 -0.10 0.00 0.00 175.22 176.18 1bkg s ASP 44 N -2.02 4.59 0.21 1.36 -1.08 -1.26 -4.85 116.67 113.62 1bkg s ASP 44 Ca 0.69 0.51 -0.30 0.00 -0.52 0.00 0.00 52.55 52.92 1bkg s ASP 44 Cb -0.19 -1.06 -0.08 0.00 -1.46 0.00 0.00 42.92 40.13 1bkg s ASP 44 CO 0.24 -1.77 1.10 0.42 0.52 0.00 0.00 175.17 175.68 1bkg s THR 45 N -3.38 3.72 0.54 1.71 -4.23 -1.24 -4.82 115.64 107.94 1bkg s THR 45 Ca 0.62 1.56 -0.19 0.00 -1.18 0.00 0.00 61.69 62.49 1bkg s THR 45 Cb -0.10 -4.00 -0.09 0.00 1.34 0.00 0.00 72.50 69.66 1bkg s THR 45 CO 0.46 0.30 0.69 -0.81 -0.54 0.00 0.00 174.62 174.73 1bkg n PRO 46 N 1.98 0.72 -0.36 3.99 -0.04 -1.26 -4.79 135.00 135.24 1bkg n PRO 46 Ca 0.01 0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.76 1bkg n PRO 46 Cb 0.46 -1.83 0.15 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.54 1.14 -0.66 0.54 4.39 -1.99 -2.34 114.58 116.19 1bkg h GLU 47 Ca -0.45 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.24 1bkg h GLU 47 Cb 1.38 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1bkg h GLU 47 CO 0.50 0.75 0.44 1.12 -1.16 0.00 0.00 179.01 180.66 1bkg h HIS 48 N 1.17 0.69 -0.33 4.33 2.07 -1.98 0.41 115.15 121.52 1bkg h HIS 48 Ca 0.41 0.02 -0.13 0.00 -2.85 0.00 0.00 60.37 57.82 1bkg h HIS 48 Cb 0.11 -0.23 -0.01 0.00 2.57 0.00 0.00 27.41 29.85 1bkg h HIS 48 CO -0.01 0.37 -0.31 0.28 -3.07 0.00 0.00 177.93 175.20 1bkg h VAL 49 N 0.69 1.29 -0.63 6.12 2.07 -1.74 -1.81 116.25 122.23 1bkg h VAL 49 Ca 0.28 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1bkg h VAL 49 Cb 0.24 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1bkg h VAL 49 CO -0.09 0.48 0.20 0.11 0.02 0.00 0.00 177.57 178.29 1bkg h LYS 50 N 0.56 0.95 -0.62 1.57 1.57 -1.03 -2.32 116.57 117.25 1bkg h LYS 50 Ca 0.05 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1bkg h LYS 50 Cb 0.89 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1bkg h LYS 50 CO 0.08 0.82 0.17 0.93 -0.57 0.00 0.00 179.45 180.87 1bkg h GLU 51 N 0.92 0.98 -0.28 3.15 4.39 -0.74 -0.63 114.58 122.38 1bkg h GLU 51 Ca 0.21 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1bkg h GLU 51 Cb 0.26 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1bkg h GLU 51 CO -0.01 0.88 0.16 0.00 -1.16 0.00 0.00 179.01 178.88 1bkg h ALA 52 N 1.05 1.76 -0.12 3.43 0.00 -0.91 0.12 119.26 124.58 1bkg h ALA 52 Ca 0.20 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1bkg h ALA 52 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bkg h ALA 52 CO -0.00 0.21 -0.23 0.00 0.00 0.00 0.00 179.25 179.23 1bkg h ALA 53 N 1.80 0.19 -0.51 0.00 0.00 -0.83 -2.09 119.26 117.82 1bkg h ALA 53 Ca 0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1bkg h ALA 53 Cb -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bkg h ALA 53 CO -0.02 0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.52 1bkg h ARG 54 N -0.04 0.77 -0.48 0.00 3.08 -0.41 -0.22 114.38 117.08 1bkg h ARG 54 Ca 0.01 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1bkg h ARG 54 Cb 0.81 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1bkg h ARG 54 CO 0.05 0.69 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.45 1bkg h ARG 55 N 0.75 0.87 -0.24 0.04 2.43 -0.77 -1.21 114.38 116.26 1bkg h ARG 55 Ca 0.17 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1bkg h ARG 55 Cb 0.26 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1bkg h ARG 55 CO -0.00 0.93 -0.08 0.00 -1.51 0.00 0.00 179.97 179.31 1bkg h ALA 56 N 1.09 0.33 -0.35 2.80 0.00 -0.63 -1.62 119.26 120.89 1bkg h ALA 56 Ca 0.13 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1bkg h ALA 56 Cb 0.62 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1bkg h ALA 56 CO 0.04 0.16 0.02 -0.07 0.00 0.00 0.00 179.25 179.40 1bkg h LEU 57 N 0.21 -0.10 -1.27 0.00 3.38 -0.87 -2.06 115.31 114.60 1bkg h LEU 57 Ca 0.06 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1bkg h LEU 57 Cb 0.56 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1bkg h LEU 57 CO 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 178.44 178.47 1bkg h ALA 58 N 1.29 1.40 -0.07 1.53 0.00 -1.11 -2.36 119.26 119.94 1bkg h ALA 58 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bkg h ALA 58 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bkg h ALA 58 CO -0.27 0.42 0.00 1.04 0.00 0.00 0.00 179.25 180.44 1bkg n GLN 59 N -4.26 1.29 -2.29 0.00 6.02 -0.62 -4.92 117.38 112.60 1bkg n GLN 59 Ca 0.00 -0.44 -0.11 0.00 -0.01 0.00 0.00 57.00 56.44 1bkg n GLN 59 Cb 0.27 -1.31 -0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 0.90 -0.08 2.75 1.08 0.00 -0.89 -4.92 105.19 104.03 1bkg n GLY 60 Ca 0.14 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.16 3.81 -0.03 1.61 5.02 -0.83 -4.52 118.16 121.05 1bkg n LYS 61 Ca -0.12 -3.42 0.04 0.00 -2.02 0.00 0.00 58.31 52.79 1bkg n LYS 61 Cb 0.60 -2.87 0.06 0.00 -0.02 0.00 0.00 35.03 32.79 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 3.06 1.36 -2.80 -0.18 -2.24 -1.26 -4.10 114.28 108.12 1bkg n THR 62 Ca 0.47 -1.52 -0.21 0.00 -2.27 0.00 0.00 64.05 60.52 1bkg n THR 62 Cb 0.33 0.19 0.06 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.77 2.21 0.38 -0.78 -0.14 -1.26 -4.99 119.74 113.39 1bkg s LYS 63 Ca 0.13 -1.23 -0.28 0.00 -1.36 0.00 0.00 55.97 53.24 1bkg s LYS 63 Cb 0.12 -2.52 -0.10 0.00 -1.68 0.00 0.00 37.83 33.64 1bkg s LYS 63 CO 0.01 -0.95 1.42 0.71 -0.76 0.00 0.00 175.35 175.78 1bkg s TYR 64 N -2.80 2.69 0.27 3.18 2.02 -1.26 -4.70 117.35 116.75 1bkg s TYR 64 Ca 0.61 1.26 0.06 0.00 -0.37 0.00 0.00 57.07 58.64 1bkg s TYR 64 Cb -0.07 -3.89 -0.03 0.00 -0.40 0.00 0.00 41.96 37.57 1bkg s TYR 64 CO 0.40 -2.63 0.28 0.00 -1.57 0.00 0.00 175.55 172.03 1bkg s ALA 65 N -1.15 3.78 0.74 3.71 0.00 -1.26 -5.09 121.76 122.48 1bkg s ALA 65 Ca 0.54 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 1bkg s ALA 65 Cb -0.44 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.29 1bkg s ALA 65 CO 0.58 0.19 1.18 -2.14 0.00 0.00 0.00 175.76 175.57 1bkg s PRO 66 N -3.93 2.16 0.39 0.00 0.02 -1.26 -4.54 135.00 127.83 1bkg s PRO 66 Ca 0.35 1.64 0.15 0.00 0.02 0.00 0.00 61.00 63.16 1bkg s PRO 66 Cb -0.08 -1.85 0.99 0.00 0.02 0.00 0.00 34.50 33.58 1bkg s PRO 66 CO 0.27 -1.79 1.83 -1.35 -0.33 0.00 0.00 177.00 175.62 1bkg h PRO 67 N -0.43 0.49 -0.00 5.54 0.11 -1.89 0.60 132.00 136.43 1bkg h PRO 67 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1bkg h PRO 67 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bkg h PRO 67 CO 0.50 0.33 -0.37 0.00 -0.21 0.00 0.00 178.00 178.24 1bkg n ALA 68 N -2.47 3.28 0.00 -0.75 0.00 -1.26 -4.74 120.51 114.57 1bkg n ALA 68 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1bkg n ALA 68 Cb 0.68 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.45 2.75 3.75 0.00 0.00 0.20 -1.33 105.19 112.02 1bkg n GLY 69 Ca 0.08 -1.99 -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 -2.75 2.39 0.31 -0.61 -4.36 -1.26 -4.39 121.20 110.53 1bkg s ILE 70 Ca 0.00 0.34 0.07 0.00 -0.26 0.00 0.00 60.65 60.80 1bkg s ILE 70 Cb 0.00 -3.21 0.31 0.00 1.25 0.00 0.00 42.46 40.80 1bkg s ILE 70 CO 0.00 0.06 1.69 -0.65 0.24 0.00 0.00 174.94 176.27 1bkg h PRO 71 N 4.65 0.37 -0.72 0.37 0.11 -1.97 -0.41 132.00 134.40 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 0.76 0.25 0.44 0.93 -0.21 0.00 0.00 178.00 180.17 1bkg h GLU 72 N 0.38 0.83 -0.30 1.05 3.07 -2.00 -1.05 114.58 116.57 1bkg h GLU 72 Ca 0.62 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 59.27 1bkg h GLU 72 Cb 1.25 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1bkg h GLU 72 CO -0.56 0.55 -0.44 1.25 -1.40 0.00 0.00 179.01 178.41 1bkg h LEU 73 N 0.85 0.82 -1.33 1.33 6.46 -1.44 -2.60 115.31 119.39 1bkg h LEU 73 Ca 0.30 -0.39 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1bkg h LEU 73 Cb 0.07 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 1bkg h LEU 73 CO -0.13 1.14 0.10 0.03 -0.62 0.00 0.00 178.44 178.96 1bkg h ARG 74 N 0.61 0.55 -0.20 1.25 3.08 -0.99 0.19 114.38 118.88 1bkg h ARG 74 Ca 0.04 -0.09 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1bkg h ARG 74 Cb 1.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1bkg h ARG 74 CO 0.09 0.50 -0.61 0.93 -1.07 0.00 0.00 179.97 179.82 1bkg h GLU 75 N 0.54 0.68 -0.03 0.04 5.08 -1.10 -1.15 114.58 118.65 1bkg h GLU 75 Ca 0.13 -0.47 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 1bkg h GLU 75 Cb 0.20 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1bkg h GLU 75 CO -0.00 1.09 -0.53 0.00 -1.00 0.00 0.00 179.01 178.56 1bkg h ALA 76 N 0.80 1.06 -0.25 3.43 0.00 -1.02 -2.40 119.26 120.89 1bkg h ALA 76 Ca -0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1bkg h ALA 76 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1bkg h ALA 76 CO 0.12 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.83 1bkg h LEU 77 N 0.07 0.56 -0.79 0.00 4.07 -0.37 0.08 115.31 118.92 1bkg h LEU 77 Ca -0.00 -0.42 0.06 0.00 0.08 0.00 0.00 57.88 57.59 1bkg h LEU 77 Cb 0.96 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.49 1bkg h LEU 77 CO 0.07 0.86 0.48 0.00 -1.08 0.00 0.00 178.44 178.77 1bkg h ALA 78 N 0.72 1.07 -0.49 1.53 0.00 -1.06 -1.01 119.26 120.01 1bkg h ALA 78 Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1bkg h ALA 78 Cb 0.66 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1bkg h ALA 78 CO 0.04 0.21 -0.15 1.49 0.00 0.00 0.00 179.25 180.84 1bkg h GLU 79 N 0.88 0.95 -0.08 0.00 4.57 -1.22 -1.98 114.58 117.71 1bkg h GLU 79 Ca 0.34 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1bkg h GLU 79 Cb 0.15 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1bkg h GLU 79 CO -0.17 1.03 -0.03 -0.22 -1.18 0.00 0.00 179.01 178.44 1bkg h LYS 80 N 0.84 0.16 -0.34 1.92 3.11 -0.44 0.28 116.57 122.10 1bkg h LYS 80 Ca 0.13 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.86 1bkg h LYS 80 Cb 0.70 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.91 1bkg h LYS 80 CO 0.05 0.51 0.04 0.74 -2.81 0.00 0.00 179.45 177.98 1bkg h PHE 81 N -0.21 0.52 0.30 1.91 0.04 -1.21 0.42 116.94 118.71 1bkg h PHE 81 Ca 0.02 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1bkg h PHE 81 Cb 0.46 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1bkg h PHE 81 CO 0.06 0.49 -0.14 -0.09 -0.60 0.00 0.00 178.31 178.03 1bkg h ARG 82 N 0.49 -0.38 -0.00 1.51 2.43 -1.31 -1.93 114.38 115.18 1bkg h ARG 82 Ca 0.11 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1bkg h ARG 82 Cb 0.26 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1bkg h ARG 82 CO 0.00 -0.15 0.00 -0.09 -1.51 0.00 0.00 179.97 178.23 1bkg h ARG 83 N -1.05 0.01 0.00 0.20 2.43 -0.34 -2.24 114.38 113.39 1bkg h ARG 83 Ca -0.04 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 1bkg h ARG 83 Cb 0.41 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1bkg h ARG 83 CO 0.07 0.20 -1.04 0.93 -1.51 0.00 0.00 179.97 178.61 1bkg h GLU 84 N -0.19 0.00 0.00 0.20 5.08 -0.32 -3.41 114.58 115.94 1bkg h GLU 84 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bkg h GLU 84 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1bkg h GLU 84 CO -0.00 0.58 -0.41 0.09 -1.00 0.00 0.00 179.01 178.27 1bkg n ASN 85 N -3.15 1.21 0.00 1.42 5.03 -0.80 -5.02 115.26 113.96 1bkg n ASN 85 Ca -0.04 -0.43 0.00 0.00 0.87 0.00 0.00 54.58 54.98 1bkg n ASN 85 Cb 0.86 1.04 0.00 0.00 -1.02 0.00 0.00 39.78 40.66 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 1.40 0.72 3.77 7.41 0.00 -0.80 -4.51 105.19 113.18 1bkg n GLY 86 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 4.53 -0.87 0.99 1.02 -0.82 -4.78 118.68 118.75 1bkg s LEU 87 Ca 0.00 1.83 -0.02 0.00 0.02 0.00 0.00 54.13 55.96 1bkg s LEU 87 Cb 0.00 -3.66 0.34 0.00 0.02 0.00 0.00 46.19 42.89 1bkg s LEU 87 CO 0.00 0.10 2.01 -1.20 0.02 0.00 0.00 176.35 177.28 1bkg n SER 88 N 1.19 7.50 -4.92 2.29 7.64 -1.26 -3.35 113.62 122.71 1bkg n SER 88 Ca -0.02 -3.81 -0.26 0.00 1.01 0.00 0.00 58.87 55.79 1bkg n SER 88 Cb 0.48 -1.09 0.05 0.00 -1.01 0.00 0.00 64.21 62.65 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 -4.93 3.00 0.34 0.44 -7.23 -1.26 -5.11 120.40 105.65 1bkg s VAL 89 Ca 0.50 -0.12 0.08 0.00 -1.81 0.00 0.00 61.98 60.63 1bkg s VAL 89 Cb 0.40 -3.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.04 1bkg s VAL 89 CO -0.38 -0.25 -0.07 0.42 -0.31 0.00 0.00 175.10 174.52 1bkg s THR 90 N -3.11 2.04 0.44 5.32 -4.23 -1.26 -4.92 115.64 109.92 1bkg s THR 90 Ca 0.57 -2.15 0.14 0.00 -1.18 0.00 0.00 61.69 59.06 1bkg s THR 90 Cb -0.11 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.40 1bkg s THR 90 CO 0.45 -0.19 2.00 -0.65 -0.54 0.00 0.00 174.62 175.69 1bkg h PRO 91 N 2.05 0.37 0.00 3.99 0.11 -1.92 -0.79 132.00 135.80 1bkg h PRO 91 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1bkg h PRO 91 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bkg h PRO 91 CO 0.71 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 179.14 1bkg n GLU 92 N -4.47 0.17 -1.02 1.05 4.71 -1.26 -1.89 120.64 117.93 1bkg n GLU 92 Ca 0.08 0.48 -0.13 0.00 -0.01 0.00 0.00 57.16 57.59 1bkg n GLU 92 Cb 0.34 -1.88 0.18 0.00 -1.01 0.00 0.00 31.44 29.06 1bkg n GLU 92 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1bkg n GLU 93 N -2.21 2.08 -4.17 3.49 1.02 -0.31 -4.83 120.64 115.71 1bkg n GLU 93 Ca 0.01 -3.21 -0.18 0.00 -0.02 0.00 0.00 57.16 53.76 1bkg n GLU 93 Cb 0.17 -1.97 -0.12 0.00 -0.02 0.00 0.00 31.44 29.51 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 -3.44 1.08 -0.08 2.62 2.01 -0.79 -2.50 115.64 114.54 1bkg s THR 94 Ca 0.49 -1.34 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 1bkg s THR 94 Cb 0.43 -1.09 0.04 0.00 0.01 0.00 0.00 72.50 71.89 1bkg s THR 94 CO 0.03 -0.27 0.41 -0.51 -0.69 0.00 0.00 174.62 173.58 1bkg s ILE 95 N -1.41 0.03 -0.11 1.82 2.07 -0.49 -4.98 121.20 118.12 1bkg s ILE 95 Ca -0.01 -0.22 -0.01 0.00 -1.41 0.00 0.00 60.65 59.00 1bkg s ILE 95 Cb -0.09 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1bkg s ILE 95 CO 0.02 -0.12 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.17 1bkg s VAL 96 N -0.67 3.63 0.27 4.00 1.01 -0.44 -1.81 120.40 126.39 1bkg s VAL 96 Ca -0.08 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1bkg s VAL 96 Cb -0.04 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1bkg s VAL 96 CO 0.03 0.55 0.08 0.42 0.00 0.00 0.00 175.10 176.18 1bkg s THR 97 N -0.19 0.77 -1.22 3.92 -4.23 0.39 -4.56 115.64 110.52 1bkg s THR 97 Ca 0.02 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 1bkg s THR 97 Cb -0.13 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1bkg s THR 97 CO 0.03 -0.04 1.94 0.52 -0.54 0.00 0.00 174.62 176.53 1bkg n VAL 98 N -0.51 3.00 0.00 2.29 0.31 -1.26 -0.55 118.33 121.61 1bkg n VAL 98 Ca -0.01 -2.91 0.00 0.00 -0.01 0.00 0.00 64.34 61.40 1bkg n VAL 98 Cb 0.66 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 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 4.98 -0.76 0.25 2.92 0.00 -1.15 -3.73 105.19 107.69 1bkg n GLY 99 Ca 0.49 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 1.09 -0.02 0.00 -1.80 -2.91 103.07 99.43 1bkg h GLY 100 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1bkg h GLY 100 CO 0.00 0.00 0.38 1.70 0.00 0.00 0.00 176.54 178.62 1bkg h LYS 101 N 0.00 1.17 0.00 4.80 3.64 -1.92 -1.90 116.57 122.36 1bkg h LYS 101 Ca -0.00 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1bkg h LYS 101 Cb 0.43 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1bkg h LYS 101 CO 0.02 0.90 -0.13 0.37 -2.27 0.00 0.00 179.45 178.35 1bkg h GLN 102 N 1.15 0.00 -0.22 1.90 4.15 -1.60 -0.06 115.11 120.43 1bkg h GLN 102 Ca 0.28 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 1bkg h GLN 102 Cb 0.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1bkg h GLN 102 CO -0.03 0.13 -0.02 0.00 -1.93 0.00 0.00 178.83 176.97 1bkg h ALA 103 N 1.87 0.30 -0.20 3.38 0.00 -1.34 -0.94 119.26 122.34 1bkg h ALA 103 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 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 0.05 -0.05 -0.07 0.00 0.00 0.00 179.25 179.20 1bkg h LEU 104 N 0.16 0.39 0.03 0.00 3.38 -1.20 -1.32 115.31 116.74 1bkg h LEU 104 Ca 0.06 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1bkg h LEU 104 Cb 0.45 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1bkg h LEU 104 CO 0.02 0.67 -0.01 0.15 0.09 0.00 0.00 178.44 179.35 1bkg h PHE 105 N 0.10 -0.04 -0.07 1.13 3.04 -1.01 -1.97 116.94 118.13 1bkg h PHE 105 Ca 0.05 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1bkg h PHE 105 Cb 0.50 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1bkg h PHE 105 CO 0.05 0.01 -0.15 -0.91 -2.02 0.00 0.00 178.31 175.29 1bkg h ASN 106 N -0.07 0.10 0.68 0.41 -0.26 -1.19 -2.19 115.58 113.06 1bkg h ASN 106 Ca -0.00 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1bkg h ASN 106 Cb 0.06 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1bkg h ASN 106 CO 0.01 0.27 -0.37 0.25 -1.06 0.00 0.00 177.43 176.52 1bkg h LEU 107 N 0.11 -0.90 -1.20 1.61 6.46 -0.74 -2.15 115.31 118.49 1bkg h LEU 107 Ca 0.02 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.91 1bkg h LEU 107 Cb 0.33 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.45 1bkg h LEU 107 CO 0.02 -0.59 0.57 -0.26 -0.62 0.00 0.00 178.44 177.56 1bkg h PHE 108 N -0.96 0.96 0.00 1.25 0.04 -1.29 0.13 116.94 117.07 1bkg h PHE 108 Ca -0.09 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1bkg h PHE 108 Cb 0.76 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1bkg h PHE 108 CO 0.00 0.47 -0.11 1.96 -0.60 0.00 0.00 178.31 180.03 1bkg h GLN 109 N 0.92 0.00 0.00 1.51 1.08 -1.33 -1.71 115.11 115.58 1bkg h GLN 109 Ca 0.39 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.59 1bkg h GLN 109 Cb 0.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1bkg h GLN 109 CO -0.16 0.11 -1.19 0.00 -0.95 0.00 0.00 178.83 176.64 1bkg n ALA 110 N -2.20 2.55 -0.03 3.87 0.00 0.37 -4.46 120.51 120.61 1bkg n ALA 110 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1bkg n ALA 110 Cb 0.29 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.61 0.00 -3.84 0.00 -5.35 -0.69 -5.03 119.36 101.84 1bkg n ILE 111 Ca -0.01 -0.48 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 1bkg n ILE 111 Cb 0.56 1.03 -0.12 0.00 -1.74 0.00 0.00 39.64 39.37 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 -0.71 3.54 0.07 7.28 1.43 -0.66 -5.04 118.68 124.59 1bkg s LEU 112 Ca 0.00 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1bkg s LEU 112 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1bkg s LEU 112 CO 0.00 0.02 0.13 -1.81 0.23 0.00 0.00 176.35 174.91 1bkg s ASP 113 N 1.30 5.83 0.14 2.29 1.01 -1.26 -4.85 116.67 121.12 1bkg s ASP 113 Ca 0.05 0.10 -0.35 0.00 0.71 0.00 0.00 52.55 53.06 1bkg s ASP 113 Cb -0.15 -1.66 -0.15 0.00 1.01 0.00 0.00 42.92 41.97 1bkg s ASP 113 CO 0.04 0.18 1.42 -2.65 0.21 0.00 0.00 175.17 174.36 1bkg n PRO 114 N 0.43 1.63 0.00 8.23 -0.02 -1.26 -1.39 135.00 142.62 1bkg n PRO 114 Ca -0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1bkg n PRO 114 Cb 0.51 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.78 1.91 3.76 -1.23 0.00 -0.30 -4.97 105.19 107.14 1bkg n GLY 115 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.59 6.69 0.04 1.61 1.01 -0.48 -4.60 116.67 119.35 1bkg s ASP 116 Ca 0.00 2.73 -0.07 0.00 0.71 0.00 0.00 52.55 55.92 1bkg s ASP 116 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1bkg s ASP 116 CO 0.00 -0.62 0.32 -1.61 0.21 0.00 0.00 175.17 173.47 1bkg s GLU 117 N -1.47 3.63 -0.12 8.23 2.02 -0.60 -0.66 118.70 129.74 1bkg s GLU 117 Ca 0.52 -0.02 -0.01 0.00 0.02 0.00 0.00 54.97 55.49 1bkg s GLU 117 Cb -0.41 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 30.82 1bkg s GLU 117 CO 0.52 0.60 -0.06 0.08 0.02 0.00 0.00 175.26 176.42 1bkg s VAL 118 N -1.37 0.96 -0.03 2.63 1.01 -0.31 -0.36 120.40 122.93 1bkg s VAL 118 Ca 0.31 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1bkg s VAL 118 Cb -0.13 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1bkg s VAL 118 CO 0.18 0.31 0.97 -0.63 0.00 0.00 0.00 175.10 175.93 1bkg s ILE 119 N 1.73 4.85 -0.09 2.22 1.01 -0.56 -1.34 121.20 129.02 1bkg s ILE 119 Ca 0.04 2.03 0.03 0.00 0.00 0.00 0.00 60.65 62.74 1bkg s ILE 119 Cb -0.13 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 38.04 1bkg s ILE 119 CO -0.08 0.12 -0.16 -0.69 0.00 0.00 0.00 174.94 174.13 1bkg s VAL 120 N 1.30 1.51 -0.24 2.92 1.01 -0.09 -1.52 120.40 125.29 1bkg s VAL 120 Ca 0.50 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 1bkg s VAL 120 Cb -0.20 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1bkg s VAL 120 CO 0.25 0.44 0.70 -0.76 0.00 0.00 0.00 175.10 175.72 1bkg s LEU 121 N 0.68 4.08 0.03 3.92 1.43 -1.26 -1.80 118.68 125.76 1bkg s LEU 121 Ca -0.13 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1bkg s LEU 121 Cb -0.16 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 1bkg s LEU 121 CO 0.04 -0.40 0.21 -0.94 0.23 0.00 0.00 176.35 175.48 1bkg s SER 122 N 1.39 6.39 0.23 2.29 1.04 -0.78 -3.50 113.70 120.75 1bkg s SER 122 Ca 0.29 0.35 -0.31 0.00 0.48 0.00 0.00 55.95 56.76 1bkg s SER 122 Cb -0.15 -2.00 -0.12 0.00 0.10 0.00 0.00 66.02 63.85 1bkg s SER 122 CO 0.08 0.21 1.67 -2.84 0.98 0.00 0.00 173.24 173.35 1bkg s PRO 123 N -2.19 4.14 0.28 4.02 0.02 -1.26 -1.63 135.00 138.37 1bkg s PRO 123 Ca 0.31 2.57 0.11 0.00 0.02 0.00 0.00 61.00 64.02 1bkg s PRO 123 Cb -0.13 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 1bkg s PRO 123 CO 0.22 -0.70 -0.15 1.52 -0.33 0.00 0.00 177.00 177.56 1bkg s TYR 124 N 0.86 2.39 0.10 6.54 -0.85 -0.54 -4.61 117.35 121.24 1bkg s TYR 124 Ca 0.71 -0.30 -0.31 0.00 -0.52 0.00 0.00 57.07 56.65 1bkg s TYR 124 Cb -0.48 -1.04 -0.08 0.00 0.38 0.00 0.00 41.96 40.74 1bkg s TYR 124 CO 0.36 0.70 1.39 -0.46 -1.52 0.00 0.00 175.55 176.02 1bkg s TRP 125 N -2.47 3.18 0.16 -3.49 -0.00 -1.22 -4.43 118.94 110.68 1bkg s TRP 125 Ca 0.30 0.93 0.08 0.00 -0.00 0.00 0.00 56.10 57.42 1bkg s TRP 125 Cb -0.05 -3.68 0.58 0.00 -0.00 0.00 0.00 33.47 30.32 1bkg s TRP 125 CO 0.16 -2.39 0.72 0.28 -0.00 0.00 0.00 176.95 175.73 1bkg n VAL 126 N 4.06 -0.19 0.17 5.86 0.31 -1.26 -1.82 118.33 125.46 1bkg n VAL 126 Ca 0.12 0.94 0.06 0.00 -0.01 0.00 0.00 64.34 65.45 1bkg n VAL 126 Cb 0.43 -1.50 0.09 0.00 -0.91 0.00 0.00 33.84 31.94 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 0.01 4.52 0.02 -1.93 -3.38 113.55 112.80 1bkg h SER 127 Ca 0.37 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 1bkg h SER 127 Cb 0.96 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1bkg h SER 127 CO -0.36 0.32 -0.22 1.88 -1.14 0.00 0.00 176.83 177.30 1bkg h TYR 128 N 0.00 -0.58 -0.88 3.45 0.05 -1.74 -0.34 116.97 116.93 1bkg h TYR 128 Ca -0.00 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1bkg h TYR 128 Cb 1.23 0.26 -0.04 0.00 1.01 0.00 0.00 36.73 39.18 1bkg h TYR 128 CO 0.00 -0.31 0.55 -1.35 -1.05 0.00 0.00 178.16 176.00 1bkg h PRO 129 N -0.36 1.18 -0.48 4.88 0.11 -1.78 -1.49 132.00 134.08 1bkg h PRO 129 Ca 0.06 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1bkg h PRO 129 Cb 0.43 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1bkg h PRO 129 CO -0.19 0.82 0.10 0.93 -0.21 0.00 0.00 178.00 179.45 1bkg h GLU 130 N 1.20 0.77 -0.47 1.05 4.39 -1.67 -2.39 114.58 117.47 1bkg h GLU 130 Ca 0.32 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 1bkg h GLU 130 Cb -0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1bkg h GLU 130 CO -0.06 0.77 -0.23 0.52 -1.16 0.00 0.00 179.01 178.85 1bkg h MET 131 N 0.65 0.97 -0.05 2.33 2.86 -0.87 -2.06 114.93 118.77 1bkg h MET 131 Ca 0.15 -0.42 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1bkg h MET 131 Cb 0.35 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1bkg h MET 131 CO 0.00 1.09 0.01 0.28 1.06 0.00 0.00 176.91 179.35 1bkg h VAL 132 N 0.84 0.98 -0.12 -2.22 2.07 -1.16 -2.91 116.25 113.73 1bkg h VAL 132 Ca 0.11 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.49 1bkg h VAL 132 Cb 0.80 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1bkg h VAL 132 CO 0.07 0.01 -0.48 0.03 0.02 0.00 0.00 177.57 177.21 1bkg h ARG 133 N 0.03 0.30 0.00 1.57 3.08 -1.46 -1.21 114.38 116.70 1bkg h ARG 133 Ca 0.02 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1bkg h ARG 133 Cb 0.01 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1bkg h ARG 133 CO -0.03 0.72 -0.09 0.35 -1.07 0.00 0.00 179.97 179.86 1bkg h PHE 134 N 0.24 0.00 -0.01 3.04 3.57 -1.29 0.21 116.94 122.71 1bkg h PHE 134 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1bkg h PHE 134 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1bkg h PHE 134 CO 0.02 0.09 -0.13 0.00 -2.23 0.00 0.00 178.31 176.06 1bkg n ALA 135 N -2.36 2.82 -0.07 2.41 0.00 -1.05 -4.94 120.51 117.32 1bkg n ALA 135 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1bkg n ALA 135 Cb 0.18 -1.13 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 1.26 0.55 3.95 0.00 0.00 0.06 -4.50 105.19 106.52 1bkg n GLY 136 Ca 0.15 0.00 -0.27 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 -1.10 1.76 -0.10 -0.02 0.00 -0.48 -1.15 107.32 106.23 1bkg s GLY 137 Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.40 1bkg s GLY 137 CO 0.00 -0.70 -0.21 0.14 0.00 0.00 0.00 173.10 172.33 1bkg s VAL 138 N -3.56 2.32 -0.22 1.40 1.01 0.17 -4.03 120.40 117.49 1bkg s VAL 138 Ca 0.70 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 1bkg s VAL 138 Cb -0.05 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1bkg s VAL 138 CO 0.49 0.55 0.74 -0.69 0.00 0.00 0.00 175.10 176.20 1bkg s VAL 139 N 0.23 4.92 -0.31 2.92 1.01 -1.26 -1.16 120.40 126.75 1bkg s VAL 139 Ca -0.14 1.40 -0.06 0.00 0.00 0.00 0.00 61.98 63.18 1bkg s VAL 139 Cb -0.17 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1bkg s VAL 139 CO 0.07 0.02 0.08 -0.69 0.00 0.00 0.00 175.10 174.58 1bkg s VAL 140 N 2.38 3.86 -0.03 2.92 1.01 -0.45 -4.95 120.40 125.14 1bkg s VAL 140 Ca 0.32 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1bkg s VAL 140 Cb -0.16 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1bkg s VAL 140 CO 0.09 0.01 0.54 -1.61 0.00 0.00 0.00 175.10 174.14 1bkg s GLU 141 N 1.46 4.26 -0.14 2.72 2.02 -1.26 -0.92 118.70 126.85 1bkg s GLU 141 Ca 0.01 0.63 0.02 0.00 0.02 0.00 0.00 54.97 55.65 1bkg s GLU 141 Cb -0.18 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.72 1bkg s GLU 141 CO 0.02 0.38 -0.21 0.08 0.02 0.00 0.00 175.26 175.55 1bkg s VAL 142 N -0.16 2.02 0.28 2.63 1.01 -0.74 -4.95 120.40 120.49 1bkg s VAL 142 Ca 0.29 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1bkg s VAL 142 Cb -0.17 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1bkg s VAL 142 CO 0.15 0.54 1.03 -0.70 0.00 0.00 0.00 175.10 176.13 1bkg s GLU 143 N 0.91 4.67 -0.09 2.72 2.12 -1.26 -1.86 118.70 125.91 1bkg s GLU 143 Ca -0.05 1.65 0.03 0.00 0.36 0.00 0.00 54.97 56.96 1bkg s GLU 143 Cb -0.15 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 1bkg s GLU 143 CO -0.04 0.29 -0.18 0.99 -0.54 0.00 0.00 175.26 175.78 1bkg s THR 144 N -1.24 2.65 -0.08 -1.70 2.01 -0.65 -4.81 115.64 111.82 1bkg s THR 144 Ca 0.45 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1bkg s THR 144 Cb -0.28 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1bkg s THR 144 CO 0.36 0.56 0.05 -0.76 -0.69 0.00 0.00 174.62 174.14 1bkg s LEU 145 N -0.05 3.85 0.32 4.42 1.43 -1.26 -4.62 118.68 122.78 1bkg s LEU 145 Ca -0.05 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1bkg s LEU 145 Cb -0.14 -1.96 0.55 0.00 0.03 0.00 0.00 46.19 44.68 1bkg s LEU 145 CO 0.04 0.37 1.89 1.55 0.23 0.00 0.00 176.35 180.44 1bkg h PRO 146 N 4.95 0.68 0.00 1.29 0.13 -1.96 0.19 132.00 137.27 1bkg h PRO 146 Ca -0.52 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1bkg h PRO 146 Cb 1.20 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.22 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 -4.32 0.16 -0.46 0.86 0.28 -1.26 -0.31 120.64 115.60 1bkg n GLU 147 Ca 0.03 0.41 0.08 0.00 -0.16 0.00 0.00 57.16 57.53 1bkg n GLU 147 Cb 0.19 -1.82 0.26 0.00 1.43 0.00 0.00 31.44 31.50 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 -2.13 3.10 -1.50 3.44 1.02 0.06 -4.94 120.64 119.70 1bkg n GLU 148 Ca 0.02 -2.78 -0.14 0.00 -0.02 0.00 0.00 57.16 54.24 1bkg n GLU 148 Cb 0.21 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 29.76 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 -0.26 1.33 2.41 0.62 0.00 0.57 -2.72 105.19 107.14 1bkg n GLY 149 Ca 0.21 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.72 -0.61 -3.78 1.61 3.72 0.43 -4.83 117.46 111.28 1bkg n PHE 150 Ca -0.15 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.90 1bkg n PHE 150 Cb 0.49 -3.49 -0.07 0.00 -0.94 0.00 0.00 39.48 35.46 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 -2.85 5.44 0.37 -4.37 1.01 -1.10 -4.87 120.40 114.03 1bkg s VAL 151 Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 1bkg s VAL 151 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 1bkg s VAL 151 CO 0.00 0.51 1.21 -2.16 0.00 0.00 0.00 175.10 174.66 1bkg s PRO 152 N -0.19 4.19 -0.46 2.72 0.04 -1.26 -4.62 135.00 135.42 1bkg s PRO 152 Ca 0.11 1.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 1bkg s PRO 152 Cb -0.12 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1bkg s PRO 152 CO 0.01 -0.24 0.47 0.34 0.04 0.00 0.00 177.00 177.62 1bkg s ASP 153 N -0.88 6.19 0.11 6.66 -1.08 -1.26 -4.95 116.67 121.46 1bkg s ASP 153 Ca 0.53 -0.92 0.05 0.00 -0.52 0.00 0.00 52.55 51.70 1bkg s ASP 153 Cb -0.34 -2.23 0.29 0.00 -1.46 0.00 0.00 42.92 39.18 1bkg s ASP 153 CO 0.44 -0.68 1.05 -0.81 0.52 0.00 0.00 175.17 175.69 1bkg n PRO 154 N 5.63 0.04 0.13 4.34 -0.04 -1.26 -1.39 135.00 142.44 1bkg n PRO 154 Ca -0.09 0.44 -0.24 0.00 -0.04 0.00 0.00 63.50 63.57 1bkg n PRO 154 Cb 0.46 -1.77 -0.16 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.50 -0.08 0.54 4.57 -1.99 -2.01 114.58 116.11 1bkg h GLU 155 Ca 0.00 -0.85 -0.06 0.00 -1.18 0.00 0.00 59.36 57.27 1bkg h GLU 155 Cb 0.31 0.32 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1bkg h GLU 155 CO 0.00 1.41 -0.24 0.00 -1.18 0.00 0.00 179.01 179.00 1bkg h ARG 156 N 0.14 0.13 -0.26 1.92 3.08 -1.64 -2.55 114.38 115.18 1bkg h ARG 156 Ca -0.28 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.57 1bkg h ARG 156 Cb 2.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.19 1bkg h ARG 156 CO 0.25 0.36 -0.46 0.28 -1.07 0.00 0.00 179.97 179.33 1bkg h VAL 157 N 0.12 1.29 -0.51 2.04 2.07 -1.50 -3.15 116.25 116.62 1bkg h VAL 157 Ca 0.02 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 1bkg h VAL 157 Cb 0.49 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1bkg h VAL 157 CO 0.03 0.53 0.21 -0.09 0.02 0.00 0.00 177.57 178.27 1bkg h ARG 158 N 0.53 0.72 0.00 1.57 2.43 -1.01 -1.88 114.38 116.75 1bkg h ARG 158 Ca 0.02 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1bkg h ARG 158 Cb 1.07 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1bkg h ARG 158 CO 0.10 0.59 0.00 0.54 -1.51 0.00 0.00 179.97 179.70 1bkg n ARG 159 N -4.35 0.39 0.00 0.20 1.74 -0.99 -2.27 116.66 111.38 1bkg n ARG 159 Ca 0.04 0.07 0.07 0.00 -0.77 0.00 0.00 57.85 57.27 1bkg n ARG 159 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.18 3.10 -1.87 7.54 0.00 -0.71 -4.96 120.51 122.43 1bkg n ALA 160 Ca 0.11 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 1bkg n ALA 160 Cb 0.12 -0.53 -0.04 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 -1.80 3.67 0.30 0.00 1.01 -0.96 -4.98 121.20 118.44 1bkg s ILE 161 Ca 0.13 1.59 0.05 0.00 0.00 0.00 0.00 60.65 62.42 1bkg s ILE 161 Cb 0.12 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1bkg s ILE 161 CO 0.38 0.34 0.25 0.42 0.00 0.00 0.00 174.94 176.33 1bkg s THR 162 N -0.82 0.00 0.08 2.92 -4.23 -1.26 -5.02 115.64 107.32 1bkg s THR 162 Ca 0.46 -1.99 0.33 0.00 -1.18 0.00 0.00 61.69 59.31 1bkg s THR 162 Cb -0.31 -2.50 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 2.24 0.00 0.00 3.99 0.11 -1.99 -2.30 132.00 134.05 1bkg h PRO 163 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1bkg h PRO 163 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1bkg h PRO 163 CO 0.40 0.00 -0.38 0.54 -0.21 0.00 0.00 178.00 178.35 1bkg n ARG 164 N -2.76 0.09 -1.64 1.05 1.74 -1.26 -4.91 116.66 108.97 1bkg n ARG 164 Ca -0.00 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.67 1bkg n ARG 164 Cb 0.17 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.69 0.60 -0.08 0.55 -1.04 -0.87 -1.55 114.28 110.19 1bkg n THR 165 Ca 0.05 -0.24 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 1bkg n THR 165 Cb 0.37 -2.30 -0.12 0.00 -1.82 0.00 0.00 70.33 66.45 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 7.80 1.35 -3.75 -2.82 3.00 0.52 -4.77 118.16 119.49 1bkg n LYS 166 Ca 0.24 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.46 1bkg n LYS 166 Cb 0.40 -1.40 -0.05 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 -2.38 -0.72 -0.04 3.14 0.00 -1.18 -1.66 121.76 118.91 1bkg s ALA 167 Ca -0.09 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1bkg s ALA 167 Cb 0.05 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1bkg s ALA 167 CO 0.63 -0.71 -0.03 -1.17 0.00 0.00 0.00 175.76 174.48 1bkg s LEU 168 N -2.87 1.24 -0.27 0.00 2.96 0.06 -1.50 118.68 118.30 1bkg s LEU 168 Ca 0.08 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1bkg s LEU 168 Cb 0.01 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.28 1bkg s LEU 168 CO -0.06 -0.08 0.11 -0.69 -1.32 0.00 0.00 176.35 174.32 1bkg s VAL 169 N 1.02 4.54 -0.04 1.68 1.01 -0.57 -1.00 120.40 127.03 1bkg s VAL 169 Ca -0.10 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1bkg s VAL 169 Cb -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1bkg s VAL 169 CO -0.01 0.27 -0.09 0.68 0.00 0.00 0.00 175.10 175.95 1bkg s VAL 170 N 1.64 3.53 -0.28 2.92 -7.23 -0.01 -4.19 120.40 116.77 1bkg s VAL 170 Ca 0.06 -0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1bkg s VAL 170 Cb -0.16 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.42 1bkg s VAL 170 CO 0.05 0.54 0.10 0.21 -0.31 0.00 0.00 175.10 175.69 1bkg s ASN 171 N -0.97 3.63 -0.07 4.85 3.04 -1.26 -0.91 114.94 123.25 1bkg s ASN 171 Ca 0.13 -1.36 -0.03 0.00 0.04 0.00 0.00 52.86 51.65 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 0.03 -0.41 0.14 -0.55 -3.04 0.00 0.00 177.10 173.26 1bkg s SER 172 N 1.87 0.41 0.55 -4.21 0.15 -1.20 -3.15 113.70 108.12 1bkg s SER 172 Ca 0.08 0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.79 1bkg s SER 172 Cb -0.17 0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1bkg s SER 172 CO -0.27 -0.20 1.28 -2.65 1.20 0.00 0.00 173.24 172.60 1bkg n PRO 173 N 4.82 1.52 -3.42 5.44 -0.02 -1.26 -4.63 135.00 137.46 1bkg n PRO 173 Ca -0.14 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 1bkg n PRO 173 Cb 0.51 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.98 6.80 -0.12 2.55 3.84 -0.14 -4.62 114.94 122.27 1bkg s ASN 174 Ca 0.73 1.01 0.03 0.00 0.21 0.00 0.00 52.86 54.84 1bkg s ASN 174 Cb -0.42 -2.26 0.01 0.00 -0.55 0.00 0.00 41.25 38.02 1bkg s ASN 174 CO 0.49 0.16 -0.21 0.21 -2.79 0.00 0.00 177.10 174.96 1bkg s ASN 175 N -1.60 2.92 0.00 -4.21 3.84 -1.26 -0.29 114.94 114.34 1bkg s ASN 175 Ca 0.34 -0.55 0.27 0.00 0.21 0.00 0.00 52.86 53.14 1bkg s ASN 175 Cb -0.15 -1.34 0.87 0.00 -0.55 0.00 0.00 41.25 40.08 1bkg s ASN 175 CO 0.18 0.09 1.64 -0.81 -2.79 0.00 0.00 177.10 175.41 1bkg n PRO 176 N 3.93 0.87 0.16 0.43 -0.04 -1.26 -3.45 135.00 135.64 1bkg n PRO 176 Ca -0.20 -0.47 0.03 0.00 -0.04 0.00 0.00 63.50 62.82 1bkg n PRO 176 Cb 0.52 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.15 1.00 0.00 0.52 1.35 -1.88 -3.36 112.91 111.70 1bkg h THR 177 Ca 0.00 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1bkg h THR 177 Cb 0.47 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1bkg h THR 177 CO 0.00 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1bkg n GLY 178 N 0.67 0.62 3.79 5.82 0.00 0.60 -4.57 105.19 112.13 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 -2.62 2.88 -0.22 4.61 0.00 -1.26 -1.28 121.76 123.86 1bkg s ALA 179 Ca 0.00 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1bkg s ALA 179 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.90 1bkg s ALA 179 CO 0.00 -0.33 -0.14 0.08 0.00 0.00 0.00 175.76 175.37 1bkg s VAL 180 N -1.94 2.03 0.25 0.00 1.01 -1.26 -0.97 120.40 119.52 1bkg s VAL 180 Ca 0.67 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 1bkg s VAL 180 Cb -0.17 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 1bkg s VAL 180 CO 0.21 0.20 1.05 -0.31 0.00 0.00 0.00 175.10 176.25 1bkg s TYR 181 N 1.22 3.70 0.59 5.22 2.02 -1.26 -5.03 117.35 123.81 1bkg s TYR 181 Ca -0.03 1.75 -0.18 0.00 -0.37 0.00 0.00 57.07 58.24 1bkg s TYR 181 Cb -0.17 -3.19 -0.04 0.00 -0.40 0.00 0.00 41.96 38.16 1bkg s TYR 181 CO -0.08 -0.26 1.16 -2.14 -1.57 0.00 0.00 175.55 172.66 1bkg s PRO 182 N -1.19 3.05 0.28 -1.71 0.02 -1.26 -4.80 135.00 129.40 1bkg s PRO 182 Ca 0.44 1.68 0.03 0.00 0.02 0.00 0.00 61.00 63.17 1bkg s PRO 182 Cb -0.30 -1.96 0.67 0.00 0.02 0.00 0.00 34.50 32.94 1bkg s PRO 182 CO 0.37 -1.11 1.73 -0.22 -0.33 0.00 0.00 177.00 177.44 1bkg h LYS 183 N 0.82 0.50 -0.25 5.54 3.64 -1.96 -1.54 116.57 123.33 1bkg h LYS 183 Ca -0.50 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1bkg h LYS 183 Cb 1.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1bkg h LYS 183 CO 0.55 0.33 0.14 0.93 -2.27 0.00 0.00 179.45 179.14 1bkg h GLU 184 N 0.52 0.28 -0.72 1.90 3.07 -1.99 -0.33 114.58 117.31 1bkg h GLU 184 Ca 0.53 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.31 1bkg h GLU 184 Cb 0.92 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 1bkg h GLU 184 CO -0.45 0.19 0.21 0.28 -1.40 0.00 0.00 179.01 177.83 1bkg h VAL 185 N 0.29 1.26 -0.44 3.13 2.07 -1.68 -1.62 116.25 119.26 1bkg h VAL 185 Ca 0.10 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 1bkg h VAL 185 Cb 0.01 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1bkg h VAL 185 CO -0.05 0.36 -0.18 -0.07 0.02 0.00 0.00 177.57 177.64 1bkg h LEU 186 N 1.07 0.85 -0.76 2.57 4.07 -1.13 -1.45 115.31 120.54 1bkg h LEU 186 Ca 0.23 -0.30 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1bkg h LEU 186 Cb 0.32 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1bkg h LEU 186 CO -0.00 1.02 0.09 -0.33 -1.08 0.00 0.00 178.44 178.13 1bkg h GLU 187 N 0.74 1.03 -0.30 1.13 5.08 -0.81 -1.62 114.58 119.83 1bkg h GLU 187 Ca 0.11 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1bkg h GLU 187 Cb 0.71 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1bkg h GLU 187 CO 0.05 0.95 0.14 0.00 -1.00 0.00 0.00 179.01 179.16 1bkg h ALA 188 N 1.12 0.39 -0.53 3.43 0.00 -0.99 -1.26 119.26 121.42 1bkg h ALA 188 Ca 0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1bkg h ALA 188 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bkg h ALA 188 CO 0.01 -0.05 0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1bkg h LEU 189 N 0.35 0.86 -1.17 0.00 3.38 -1.16 -2.35 115.31 115.22 1bkg h LEU 189 Ca 0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1bkg h LEU 189 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1bkg h LEU 189 CO -0.01 0.91 -0.00 0.00 0.09 0.00 0.00 178.44 179.43 1bkg h ALA 190 N 1.18 1.32 -0.25 1.53 0.00 -0.99 -2.47 119.26 119.58 1bkg h ALA 190 Ca 0.16 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1bkg h ALA 190 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bkg h ALA 190 CO 0.02 0.47 -0.39 0.00 0.00 0.00 0.00 179.25 179.34 1bkg h ARG 191 N 0.55 0.57 -0.77 0.00 2.47 -0.88 -2.81 114.38 113.51 1bkg h ARG 191 Ca 0.12 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.52 1bkg h ARG 191 Cb 0.36 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.64 1bkg h ARG 191 CO 0.01 0.87 0.36 -0.07 0.56 0.00 0.00 179.97 181.70 1bkg h LEU 192 N 0.47 1.01 -0.84 3.04 3.38 -0.97 0.32 115.31 121.73 1bkg h LEU 192 Ca 0.04 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1bkg h LEU 192 Cb 0.89 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1bkg h LEU 192 CO 0.08 0.86 -0.04 0.00 0.09 0.00 0.00 178.44 179.44 1bkg h ALA 193 N 1.29 1.03 -0.07 1.53 0.00 -1.35 0.12 119.26 121.81 1bkg h ALA 193 Ca 0.26 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1bkg h ALA 193 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bkg h ALA 193 CO -0.03 0.60 -0.24 0.28 0.00 0.00 0.00 179.25 179.85 1bkg h VAL 194 N 0.76 1.43 -0.49 0.00 2.07 -1.21 0.11 116.25 118.92 1bkg h VAL 194 Ca 0.14 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 1bkg h VAL 194 Cb 0.51 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1bkg h VAL 194 CO 0.03 0.46 0.28 -0.08 0.02 0.00 0.00 177.57 178.28 1bkg h GLU 195 N -0.21 0.68 -0.20 1.57 4.81 -0.80 -2.99 114.58 117.44 1bkg h GLU 195 Ca -0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1bkg h GLU 195 Cb 0.87 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1bkg h GLU 195 CO 0.05 0.52 0.00 0.72 -0.73 0.00 0.00 179.01 179.57 1bkg n HIS 196 N -4.67 0.23 -3.24 0.92 8.25 0.39 -5.02 115.22 112.08 1bkg n HIS 196 Ca 0.02 -0.12 -0.09 0.00 -0.26 0.00 0.00 57.72 57.27 1bkg n HIS 196 Cb 0.07 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 1.21 -7.01 -3.82 0.41 2.03 0.21 -5.01 116.55 104.56 1bkg n ASP 197 Ca 0.17 -0.39 -0.13 0.00 0.52 0.00 0.00 54.79 54.96 1bkg n ASP 197 Cb 0.56 -4.72 -0.07 0.00 -0.72 0.00 0.00 41.12 36.17 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 -3.13 0.97 0.08 -0.67 -0.12 -0.11 -4.97 117.98 110.02 1bkg s PHE 198 Ca 0.14 -1.20 -0.22 0.00 -0.05 0.00 0.00 56.93 55.61 1bkg s PHE 198 Cb -0.03 -0.24 -0.07 0.00 -0.63 0.00 0.00 43.02 42.05 1bkg s PHE 198 CO 0.77 -0.89 0.65 0.71 -0.05 0.00 0.00 175.22 176.42 1bkg s TYR 199 N -3.78 3.80 -0.22 3.49 2.02 -0.67 -4.63 117.35 117.37 1bkg s TYR 199 Ca 0.32 1.38 -0.08 0.00 -0.37 0.00 0.00 57.07 58.32 1bkg s TYR 199 Cb 0.02 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 1bkg s TYR 199 CO 0.15 0.48 0.08 -1.17 -1.57 0.00 0.00 175.55 173.51 1bkg s LEU 200 N -0.79 3.65 -0.37 -1.29 0.20 0.28 -0.76 118.68 119.60 1bkg s LEU 200 Ca 0.32 -0.06 -0.05 0.00 0.69 0.00 0.00 54.13 55.04 1bkg s LEU 200 Cb -0.20 -1.96 0.07 0.00 -0.43 0.00 0.00 46.19 43.68 1bkg s LEU 200 CO 0.21 0.06 0.14 -0.69 -0.29 0.00 0.00 176.35 175.78 1bkg s VAL 201 N 1.06 3.50 -0.39 1.68 1.01 -0.17 -0.69 120.40 126.39 1bkg s VAL 201 Ca 0.04 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.32 1bkg s VAL 201 Cb -0.14 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1bkg s VAL 201 CO 0.03 -0.41 0.25 -0.55 0.00 0.00 0.00 175.10 174.43 1bkg s SER 202 N 1.66 5.92 -0.60 3.32 0.15 -0.28 -0.83 113.70 123.05 1bkg s SER 202 Ca 0.02 -0.96 -0.21 0.00 0.70 0.00 0.00 55.95 55.51 1bkg s SER 202 Cb -0.21 -2.09 0.08 0.00 -1.71 0.00 0.00 66.02 62.09 1bkg s SER 202 CO -0.01 -0.42 0.80 -0.62 1.20 0.00 0.00 173.24 174.19 1bkg s ASP 203 N 1.62 6.19 -0.20 5.45 2.15 -0.08 -0.40 116.67 131.40 1bkg s ASP 203 Ca 0.03 -1.14 0.16 0.00 0.43 0.00 0.00 52.55 52.04 1bkg s ASP 203 Cb -0.19 -2.35 0.61 0.00 -0.30 0.00 0.00 42.92 40.69 1bkg s ASP 203 CO 0.08 -1.21 1.51 -0.62 -0.17 0.00 0.00 175.17 174.77 1bkg n GLU 204 N 6.87 3.45 -0.19 4.34 1.02 0.52 -3.25 120.64 133.41 1bkg n GLU 204 Ca -0.06 -2.94 0.30 0.00 -0.02 0.00 0.00 57.16 54.43 1bkg n GLU 204 Cb 0.44 -1.96 0.72 0.00 -0.02 0.00 0.00 31.44 30.62 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 2.38 0.45 -0.38 -3.67 -0.00 -1.90 -0.16 117.51 114.23 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 1.60 0.49 0.00 0.00 -0.00 0.00 0.00 36.82 38.91 1bkg h ILE 205 CO 0.30 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 177.23 1bkg n TYR 206 N -4.10 1.14 -0.23 0.16 4.01 -1.26 -4.46 117.16 112.42 1bkg n TYR 206 Ca 0.19 -0.42 0.22 0.00 -0.16 0.00 0.00 57.90 57.73 1bkg n TYR 206 Cb 1.03 -0.28 0.57 0.00 -0.31 0.00 0.00 39.34 40.35 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 2.54 0.29 0.00 -0.72 4.11 -1.30 -2.10 114.58 117.38 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 1.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1bkg h GLU 207 CO 0.24 0.19 -0.54 0.72 0.07 0.00 0.00 179.01 179.69 1bkg n HIS 208 N -4.46 0.11 -2.89 2.06 8.25 -1.26 -4.30 115.22 112.73 1bkg n HIS 208 Ca 0.19 0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.26 1bkg n HIS 208 Cb 0.78 -0.33 0.01 0.00 1.12 0.00 0.00 29.99 31.56 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 -1.63 6.60 -4.24 2.41 4.77 -0.79 -4.90 117.00 119.23 1bkg n LEU 209 Ca 0.05 -5.19 -0.32 0.00 -0.03 0.00 0.00 56.01 50.52 1bkg n LEU 209 Cb 0.36 -1.28 -0.17 0.00 -2.33 0.00 0.00 43.42 40.00 1bkg n LEU 209 CO 0.35 1.72 -0.56 -0.22 -1.33 0.00 0.00 177.39 177.35 1bkg s LEU 210 N -2.78 2.09 -0.12 2.23 2.96 -1.26 0.02 118.68 121.81 1bkg s LEU 210 Ca 0.33 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1bkg s LEU 210 Cb 0.07 -1.40 -0.11 0.00 0.50 0.00 0.00 46.19 45.25 1bkg s LEU 210 CO 0.07 0.19 -0.04 -1.22 -1.32 0.00 0.00 176.35 174.03 1bkg n TYR 211 N 3.34 0.00 -4.26 5.38 4.01 -0.12 -4.98 117.16 120.52 1bkg n TYR 211 Ca -0.18 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.38 1bkg n TYR 211 Cb 0.53 -0.52 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 1bkg n TYR 211 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1bkg s GLU 212 N -2.26 0.61 0.69 -0.72 1.03 -1.21 -5.09 118.70 111.75 1bkg s GLU 212 Ca -0.12 -0.33 0.00 0.00 0.03 0.00 0.00 54.97 54.55 1bkg s GLU 212 Cb 0.04 -0.57 0.00 0.00 -0.80 0.00 0.00 34.13 32.80 1bkg s GLU 212 CO 0.38 0.15 0.00 0.41 -1.33 0.00 0.00 175.26 174.87 1bkg n GLY 213 N 2.72 -1.84 3.15 -3.83 0.00 -1.26 -4.87 105.19 99.26 1bkg n GLY 213 Ca -0.14 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 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 0.77 -0.29 1.61 2.02 -1.26 -5.10 118.70 116.45 1bkg s GLU 214 Ca 0.00 -0.99 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 1bkg s GLU 214 Cb 0.00 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.61 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 -1.73 3.23 -0.12 1.61 5.65 -1.26 -4.85 115.29 117.83 1bkg s HIS 215 Ca -0.01 0.67 -0.02 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 -0.04 0.12 -0.65 0.00 0.00 174.74 173.74 1bkg s PHE 216 N 2.60 3.02 -0.35 3.88 5.36 -1.26 -5.06 117.98 126.17 1bkg s PHE 216 Ca 0.26 -0.13 -0.13 0.00 -0.96 0.00 0.00 56.93 55.97 1bkg s PHE 216 Cb -0.15 -1.85 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1bkg s PHE 216 CO 0.11 0.15 0.26 -1.12 -1.46 0.00 0.00 175.22 173.16 1bkg s SER 217 N -0.20 6.08 0.60 6.13 0.01 -1.26 -4.95 113.70 120.11 1bkg s SER 217 Ca 0.03 -0.46 0.30 0.00 1.31 0.00 0.00 55.95 57.14 1bkg s SER 217 Cb -0.13 -2.15 1.76 0.00 0.21 0.00 0.00 66.02 65.72 1bkg s SER 217 CO 0.02 -0.27 2.17 -0.65 0.41 0.00 0.00 173.24 174.92 1bkg h PRO 218 N 8.50 0.00 0.00 12.44 0.11 -1.95 -1.86 132.00 149.25 1bkg h PRO 218 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 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 0.65 0.00 0.08 0.41 -0.21 0.00 0.00 178.00 178.93 1bkg n GLY 219 N -1.35 -0.79 0.23 -0.55 0.00 -1.26 -0.93 105.19 100.53 1bkg n GLY 219 Ca -0.00 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 0.80 0.09 1.61 3.08 -1.64 -3.08 114.38 115.24 1bkg h ARG 220 Ca 0.00 -0.63 -0.15 0.00 0.07 0.00 0.00 59.98 59.28 1bkg h ARG 220 Cb 0.17 0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.36 1bkg h ARG 220 CO 0.00 1.24 -0.63 0.28 -1.07 0.00 0.00 179.97 179.79 1bkg h VAL 221 N 0.55 1.54 -2.29 2.04 2.07 -1.24 -3.40 116.25 115.53 1bkg h VAL 221 Ca -0.04 -2.40 -0.60 0.00 0.82 0.00 0.00 66.70 64.48 1bkg h VAL 221 Cb 1.37 3.11 -0.41 0.00 -1.52 0.00 0.00 31.29 33.83 1bkg h VAL 221 CO 0.15 0.67 -0.68 0.00 0.02 0.00 0.00 177.57 177.73 1bkg n ALA 222 N -2.64 3.69 0.16 1.67 0.00 -0.95 -4.97 120.51 117.46 1bkg n ALA 222 Ca -0.12 -4.47 0.08 0.00 0.00 0.00 0.00 53.44 48.93 1bkg n ALA 222 Cb 0.73 -0.90 0.59 0.00 0.00 0.00 0.00 19.45 19.87 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 4.36 0.15 -0.03 0.00 0.13 -1.76 -1.81 132.00 133.04 1bkg h PRO 223 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1bkg h PRO 223 Cb 0.72 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1bkg h PRO 223 CO 0.75 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 179.01 1bkg n GLU 224 N -4.51 1.88 -0.00 0.86 1.02 -1.26 -4.04 120.64 114.59 1bkg n GLU 224 Ca 0.00 -1.28 0.03 0.00 -0.02 0.00 0.00 57.16 55.89 1bkg n GLU 224 Cb 0.14 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 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 0.55 0.00 -3.89 -0.32 8.25 -0.97 -4.75 115.22 114.09 1bkg n HIS 225 Ca 0.17 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.27 1bkg n HIS 225 Cb 0.43 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.80 5.46 -0.24 1.59 2.01 -0.72 -0.56 115.64 121.39 1bkg s THR 226 Ca 0.01 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1bkg s THR 226 Cb 0.05 -3.38 0.06 0.00 0.01 0.00 0.00 72.50 69.23 1bkg s THR 226 CO 0.26 0.61 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.95 1bkg s LEU 227 N -0.94 2.88 -0.21 4.42 1.43 0.13 -4.12 118.68 122.27 1bkg s LEU 227 Ca 0.15 -1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 51.88 1bkg s LEU 227 Cb -0.12 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1bkg s LEU 227 CO 0.04 -0.19 0.38 -0.89 0.23 0.00 0.00 176.35 175.91 1bkg s THR 228 N 1.27 5.21 -0.09 5.49 2.01 -0.50 -1.12 115.64 127.90 1bkg s THR 228 Ca -0.06 0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1bkg s THR 228 Cb -0.19 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1bkg s THR 228 CO -0.06 0.25 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.32 1bkg s VAL 229 N 1.37 3.38 0.07 3.82 1.01 0.47 -1.51 120.40 129.00 1bkg s VAL 229 Ca 0.18 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1bkg s VAL 229 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1bkg s VAL 229 CO 0.08 0.57 0.10 -3.20 0.00 0.00 0.00 175.10 172.65 1bkg n ASN 230 N 2.69 -0.30 -3.58 3.32 2.85 0.19 -0.35 115.26 120.07 1bkg n ASN 230 Ca -0.18 -1.33 0.02 0.00 -0.11 0.00 0.00 54.58 52.99 1bkg n ASN 230 Cb 0.53 0.53 -0.00 0.00 1.24 0.00 0.00 39.78 42.07 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 -1.39 -0.45 0.09 8.20 0.00 -1.26 -1.67 107.32 110.84 1bkg s GLY 231 Ca 0.05 0.95 0.25 0.00 0.00 0.00 0.00 44.72 45.97 1bkg s GLY 231 CO 0.03 0.20 1.52 0.00 0.00 0.00 0.00 173.10 174.85 1bkg n ALA 232 N -0.45 2.85 -0.13 3.20 0.00 -1.00 -4.52 120.51 120.46 1bkg n ALA 232 Ca -0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1bkg n ALA 232 Cb 0.63 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 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 2.70 -0.59 0.17 0.00 0.00 -1.75 -2.54 119.26 117.25 1bkg h ALA 233 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1bkg h ALA 233 Cb 0.65 1.00 0.01 0.00 0.00 0.00 0.00 17.79 19.45 1bkg h ALA 233 CO 0.00 -0.95 -1.53 0.87 0.00 0.00 0.00 179.25 177.64 1bkg h LYS 234 N -0.36 0.35 -0.36 0.00 1.79 -1.80 -2.52 116.57 113.67 1bkg h LYS 234 Ca 0.11 -0.60 0.01 0.00 -2.18 0.00 0.00 60.65 58.00 1bkg h LYS 234 Cb 0.59 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1bkg h LYS 234 CO -0.59 1.29 0.21 0.00 -1.08 0.00 0.00 179.45 179.28 1bkg h ALA 235 N 0.06 0.45 -0.35 3.86 0.00 -1.78 -3.26 119.26 118.24 1bkg h ALA 235 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bkg h ALA 235 Cb 1.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1bkg h ALA 235 CO 0.14 -0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.45 1bkg n PHE 236 N -4.88 0.75 -3.69 0.00 3.72 -0.96 -4.69 117.46 107.71 1bkg n PHE 236 Ca 0.00 -0.65 -0.22 0.00 -0.05 0.00 0.00 57.45 56.53 1bkg n PHE 236 Cb 0.05 -0.15 0.04 0.00 -0.94 0.00 0.00 39.48 38.48 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 0.21 -1.86 -2.04 4.37 0.00 -1.14 -4.26 120.51 115.79 1bkg n ALA 237 Ca 0.17 -0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 1bkg n ALA 237 Cb 0.65 -2.61 0.02 0.00 0.00 0.00 0.00 19.45 17.50 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 -4.36 3.48 -0.18 0.00 2.81 -0.96 -3.64 117.12 114.26 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 30.90 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 -1.86 -2.69 112.91 115.06 1bkg h THR 239 Ca 0.38 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1bkg h THR 239 Cb 1.32 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1bkg h THR 239 CO 0.87 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 1bkg n GLY 240 N -1.07 -1.08 0.17 5.82 0.00 -1.26 -3.30 105.19 104.48 1bkg n GLY 240 Ca 0.03 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.71 1.61 4.06 -1.86 -3.49 115.95 110.56 1bkg h TRP 241 Ca 0.00 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.68 1bkg h TRP 241 Cb 0.15 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 28.44 1bkg h TRP 241 CO 0.00 0.00 -0.75 0.54 -3.56 0.00 0.00 178.44 174.67 1bkg n ARG 242 N -2.84 -1.77 -3.86 0.49 5.12 -1.21 -4.88 116.66 107.71 1bkg n ARG 242 Ca 0.03 0.85 -0.26 0.00 -1.93 0.00 0.00 57.85 56.54 1bkg n ARG 242 Cb 0.52 -5.19 -0.17 0.00 -1.16 0.00 0.00 32.46 26.46 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 -3.33 0.87 0.31 0.55 -1.09 -1.26 -2.93 121.20 114.31 1bkg s ILE 243 Ca 0.37 -0.32 0.05 0.00 -2.23 0.00 0.00 60.65 58.52 1bkg s ILE 243 Cb -0.08 -1.00 -0.06 0.00 -1.58 0.00 0.00 42.46 39.74 1bkg s ILE 243 CO 0.78 0.23 0.01 -0.83 -1.23 0.00 0.00 174.94 173.90 1bkg s GLY 244 N 1.76 1.97 0.10 6.18 0.00 0.29 -2.38 107.32 115.23 1bkg s GLY 244 Ca 0.03 -2.00 -0.13 0.00 0.00 0.00 0.00 44.72 42.62 1bkg s GLY 244 CO -0.07 -1.82 0.31 -2.52 0.00 0.00 0.00 173.10 168.99 1bkg s TYR 245 N -3.19 -0.06 0.08 1.90 -0.85 -0.67 -0.46 117.35 114.10 1bkg s TYR 245 Ca 0.33 -0.27 -0.19 0.00 -0.52 0.00 0.00 57.07 56.43 1bkg s TYR 245 Cb 0.07 0.12 0.04 0.00 0.38 0.00 0.00 41.96 42.57 1bkg s TYR 245 CO 0.14 -0.62 0.45 0.00 -1.52 0.00 0.00 175.55 174.01 1bkg s ALA 246 N -3.64 -1.12 0.05 9.51 0.00 -0.75 -0.64 121.76 125.18 1bkg s ALA 246 Ca 0.02 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1bkg s ALA 246 Cb 0.03 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1bkg s ALA 246 CO -0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 175.76 175.06 1bkg n GLY 248 N 0.10 -0.60 3.65 0.00 0.00 -1.04 -1.41 105.19 105.88 1bkg n GLY 248 Ca -0.14 -1.08 -0.50 0.00 0.00 0.00 0.00 46.02 44.30 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 1.65 -0.32 1.61 -0.02 -1.26 -4.76 135.00 131.90 1bkg n PRO 249 Ca 0.00 0.60 0.24 0.00 -2.02 0.00 0.00 63.50 62.32 1bkg n PRO 249 Cb 0.00 -2.32 0.54 0.00 -0.02 0.00 0.00 33.50 31.70 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 6.31 0.33 -0.22 -0.52 3.64 -1.91 -1.56 116.57 122.63 1bkg h LYS 250 Ca -0.47 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.72 1bkg h LYS 250 Cb 1.30 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1bkg h LYS 250 CO 0.88 0.22 -0.55 0.93 -2.27 0.00 0.00 179.45 178.65 1bkg h GLU 251 N 0.34 0.66 -0.25 1.90 4.39 -1.95 -0.89 114.58 118.79 1bkg h GLU 251 Ca 0.59 -0.42 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 1bkg h GLU 251 Cb 1.61 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1bkg h GLU 251 CO -0.26 1.04 -0.48 0.28 -1.16 0.00 0.00 179.01 178.42 1bkg h VAL 252 N 0.51 1.30 -0.58 3.13 2.07 -1.68 -2.05 116.25 118.94 1bkg h VAL 252 Ca 0.01 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1bkg h VAL 252 Cb 1.11 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1bkg h VAL 252 CO 0.11 0.54 0.36 0.40 0.02 0.00 0.00 177.57 179.00 1bkg h ILE 253 N 0.51 1.17 -0.05 4.57 1.08 -1.26 -0.83 117.51 122.70 1bkg h ILE 253 Ca 0.01 -0.35 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1bkg h ILE 253 Cb 1.09 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1bkg h ILE 253 CO 0.11 0.17 -0.23 0.50 -0.69 0.00 0.00 178.15 178.01 1bkg h LYS 254 N 0.79 0.08 -0.15 2.37 3.64 -1.12 -1.67 116.57 120.50 1bkg h LYS 254 Ca 0.21 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.37 1bkg h LYS 254 Cb -0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1bkg h LYS 254 CO -0.04 0.31 -0.72 0.00 -2.27 0.00 0.00 179.45 176.73 1bkg h ALA 255 N 1.70 0.44 -0.62 5.00 0.00 -0.59 -3.01 119.26 122.19 1bkg h ALA 255 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1bkg h ALA 255 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1bkg h ALA 255 CO 0.03 0.71 0.11 0.52 0.00 0.00 0.00 179.25 180.62 1bkg h MET 256 N 0.47 1.00 0.00 0.00 2.86 -0.47 -2.24 114.93 116.56 1bkg h MET 256 Ca -0.03 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1bkg h MET 256 Cb 1.32 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1bkg h MET 256 CO 0.14 0.91 -0.05 0.00 1.06 0.00 0.00 176.91 178.97 1bkg h ALA 257 N 1.17 1.02 -0.03 6.32 0.00 -1.32 -2.13 119.26 124.30 1bkg h ALA 257 Ca 0.19 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 1bkg h ALA 257 Cb 0.39 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1bkg h ALA 257 CO 0.01 0.06 -0.93 1.03 0.00 0.00 0.00 179.25 179.42 1bkg h SER 258 N 0.00 0.87 -0.52 0.00 0.87 -1.28 -1.78 113.55 111.71 1bkg h SER 258 Ca -0.00 -0.72 -0.08 0.00 -1.23 0.00 0.00 61.79 59.76 1bkg h SER 258 Cb 0.55 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1bkg h SER 258 CO 0.01 1.47 0.03 0.58 -0.53 0.00 0.00 176.83 178.38 1bkg h VAL 259 N 0.35 1.25 -0.57 2.23 2.07 -1.18 -2.63 116.25 117.77 1bkg h VAL 259 Ca -0.11 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1bkg h VAL 259 Cb 1.59 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1bkg h VAL 259 CO 0.18 0.38 0.30 0.28 0.02 0.00 0.00 177.57 178.73 1bkg h SER 260 N 0.87 0.72 0.26 0.57 0.02 -1.32 -2.34 113.55 112.34 1bkg h SER 260 Ca 0.17 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1bkg h SER 260 Cb 0.47 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1bkg h SER 260 CO 0.02 0.62 -0.10 0.77 -1.14 0.00 0.00 176.83 177.00 1bkg h SER 261 N 0.77 0.00 -0.66 3.07 4.64 -0.95 0.12 113.55 120.53 1bkg h SER 261 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1bkg h SER 261 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1bkg h SER 261 CO -0.03 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1bkg n GLN 262 N -3.78 2.89 0.07 4.77 1.13 -1.00 -4.28 117.38 117.19 1bkg n GLN 262 Ca -0.02 -2.60 0.00 0.00 -1.94 0.00 0.00 57.00 52.44 1bkg n GLN 262 Cb 0.21 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 1.38 0.32 -0.26 1.08 3.41 -0.85 -4.96 113.62 113.73 1bkg n SER 263 Ca 0.23 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 59.09 1bkg n SER 263 Cb 0.63 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.64 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 -3.18 0.07 0.00 6.66 -2.24 -0.49 -5.02 114.28 110.07 1bkg n THR 264 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1bkg n THR 264 Cb 0.00 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.33 0.00 -3.50 4.28 -1.04 0.29 -4.68 114.28 109.96 1bkg n THR 265 Ca 0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.96 1bkg n THR 265 Cb 0.17 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.66 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 -0.40 -0.39 0.99 8.00 0.15 -1.26 -3.74 113.70 117.05 1bkg s SER 266 Ca 0.00 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.59 1bkg s SER 266 Cb 0.00 0.40 0.19 0.00 -1.71 0.00 0.00 66.02 64.89 1bkg s SER 266 CO 0.00 -0.62 1.09 -2.84 1.20 0.00 0.00 173.24 172.06 1bkg s PRO 267 N -2.92 0.47 -0.27 5.44 0.02 -1.26 -4.90 135.00 131.58 1bkg s PRO 267 Ca 0.03 0.63 -0.41 0.00 0.02 0.00 0.00 61.00 61.27 1bkg s PRO 267 Cb -0.01 -1.73 -0.17 0.00 0.02 0.00 0.00 34.50 32.61 1bkg s PRO 267 CO -0.08 -2.73 1.60 -3.47 -0.33 0.00 0.00 177.00 171.99 1bkg n ASP 268 N -4.19 1.78 -0.31 2.53 -0.08 -1.26 -4.71 116.55 110.30 1bkg n ASP 268 Ca 0.05 1.12 -0.05 0.00 -1.51 0.00 0.00 54.79 54.41 1bkg n ASP 268 Cb 0.56 -1.06 0.08 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 4.73 1.25 -0.41 5.18 2.02 -1.87 -1.78 112.91 122.03 1bkg h THR 269 Ca -0.46 -0.65 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 1bkg h THR 269 Cb 1.34 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1bkg h THR 269 CO 0.92 0.29 -0.00 0.40 0.37 0.00 0.00 175.52 177.49 1bkg h ILE 270 N 1.18 1.26 0.00 3.11 5.03 -1.91 -2.40 117.51 123.78 1bkg h ILE 270 Ca 0.29 -1.02 -0.03 0.00 -0.12 0.00 0.00 64.86 63.98 1bkg h ILE 270 Cb 0.06 1.11 -0.00 0.00 -3.03 0.00 0.00 36.82 34.95 1bkg h ILE 270 CO -0.04 0.35 -0.16 0.00 -0.68 0.00 0.00 178.15 177.61 1bkg h ALA 271 N 0.89 1.51 -0.16 1.87 0.00 -1.85 -1.45 119.26 120.06 1bkg h ALA 271 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1bkg h ALA 271 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bkg h ALA 271 CO 0.02 0.20 -0.17 1.96 0.00 0.00 0.00 179.25 181.26 1bkg h GLN 272 N 0.00 0.40 -0.44 0.00 4.20 -0.86 -1.92 115.11 116.50 1bkg h GLN 272 Ca -0.00 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 1bkg h GLN 272 Cb 0.33 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1bkg h GLN 272 CO 0.02 0.78 -0.07 -1.49 -0.67 0.00 0.00 178.83 177.40 1bkg h TRP 273 N 0.04 0.84 -0.67 2.96 4.06 -1.12 -1.43 115.95 120.63 1bkg h TRP 273 Ca 0.02 -0.14 0.03 0.00 2.06 0.00 0.00 58.89 60.86 1bkg h TRP 273 Cb 0.71 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 1bkg h TRP 273 CO 0.08 0.82 0.42 0.00 -3.56 0.00 0.00 178.44 176.20 1bkg h ALA 274 N 1.21 0.87 -0.35 1.49 0.00 -1.20 -2.43 119.26 118.85 1bkg h ALA 274 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1bkg h ALA 274 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bkg h ALA 274 CO 0.03 0.20 -0.21 1.15 0.00 0.00 0.00 179.25 180.42 1bkg h THR 275 N 0.83 1.27 -0.96 0.00 2.02 -0.87 -2.39 112.91 112.81 1bkg h THR 275 Ca 0.27 -1.27 0.12 0.00 0.77 0.00 0.00 66.41 66.30 1bkg h THR 275 Cb 0.00 1.22 -0.09 0.00 -1.74 0.00 0.00 68.15 67.55 1bkg h THR 275 CO -0.10 0.42 0.59 0.25 0.37 0.00 0.00 175.52 177.05 1bkg h LEU 276 N 0.60 0.85 -0.43 2.58 6.46 -0.79 -1.69 115.31 122.89 1bkg h LEU 276 Ca 0.09 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.82 1bkg h LEU 276 Cb 0.68 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1bkg h LEU 276 CO 0.05 0.44 -0.04 -0.08 -0.62 0.00 0.00 178.44 178.19 1bkg h GLU 277 N 0.92 0.78 -0.56 1.25 4.57 -1.20 -0.82 114.58 119.52 1bkg h GLU 277 Ca 0.48 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1bkg h GLU 277 Cb 0.51 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1bkg h GLU 277 CO -0.28 0.88 0.37 0.00 -1.18 0.00 0.00 179.01 178.80 1bkg h ALA 278 N 0.88 1.60 0.20 2.92 0.00 -1.06 -0.98 119.26 122.82 1bkg h ALA 278 Ca 0.12 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 1bkg h ALA 278 Cb 0.55 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1bkg h ALA 278 CO 0.03 0.37 -1.61 -0.07 0.00 0.00 0.00 179.25 177.97 1bkg h LEU 279 N 0.76 0.67 0.03 0.00 3.38 -1.13 -3.39 115.31 115.64 1bkg h LEU 279 Ca 0.21 -0.87 -0.25 0.00 0.09 0.00 0.00 57.88 57.06 1bkg h LEU 279 Cb -0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1bkg h LEU 279 CO -0.04 1.71 -1.29 0.71 0.09 0.00 0.00 178.44 179.62 1bkg h THR 280 N 0.12 1.38 -1.31 0.22 1.35 -1.06 -3.39 112.91 110.22 1bkg h THR 280 Ca -0.29 -3.11 -0.72 0.00 -0.55 0.00 0.00 66.41 61.74 1bkg h THR 280 Cb 2.12 2.73 -0.12 0.00 -1.73 0.00 0.00 68.15 71.14 1bkg h THR 280 CO 0.22 0.82 1.99 -3.20 -0.25 0.00 0.00 175.52 175.10 1bkg n ASN 281 N -3.30 4.93 -0.32 5.36 2.85 -0.38 -4.80 115.26 119.60 1bkg n ASN 281 Ca -0.08 -2.96 -0.05 0.00 -0.11 0.00 0.00 54.58 51.39 1bkg n ASN 281 Cb 0.99 -1.63 0.08 0.00 1.24 0.00 0.00 39.78 40.46 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 6.92 1.23 -0.20 1.20 4.20 -1.84 -2.24 115.11 124.38 1bkg h GLN 282 Ca 0.41 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1bkg h GLN 282 Cb 0.80 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1bkg h GLN 282 CO 1.46 0.92 0.12 1.49 -0.67 0.00 0.00 178.83 182.15 1bkg h GLU 283 N 1.22 0.27 -0.30 1.46 4.81 -1.97 -0.08 114.58 119.98 1bkg h GLU 283 Ca 0.30 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 1bkg h GLU 283 Cb 0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1bkg h GLU 283 CO -0.04 0.23 -0.16 0.00 -0.73 0.00 0.00 179.01 178.31 1bkg h ALA 284 N 1.02 0.42 -0.27 2.92 0.00 -1.96 -2.63 119.26 118.77 1bkg h ALA 284 Ca 0.07 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1bkg h ALA 284 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1bkg h ALA 284 CO -0.01 0.33 -0.39 0.77 0.00 0.00 0.00 179.25 179.94 1bkg h SER 285 N 0.39 0.80 -0.54 0.00 0.02 -1.38 -2.67 113.55 110.17 1bkg h SER 285 Ca 0.07 -0.51 0.05 0.00 -0.84 0.00 0.00 61.79 60.56 1bkg h SER 285 Cb 0.68 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1bkg h SER 285 CO 0.05 1.16 0.36 -0.09 -1.14 0.00 0.00 176.83 177.16 1bkg h ARG 286 N 0.47 0.52 -0.35 3.45 2.43 -1.03 -0.09 114.38 119.77 1bkg h ARG 286 Ca 0.03 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1bkg h ARG 286 Cb 0.98 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1bkg h ARG 286 CO 0.09 0.34 -0.07 0.00 -1.51 0.00 0.00 179.97 178.82 1bkg h ALA 287 N 1.70 0.48 0.02 2.80 0.00 -1.28 -1.75 119.26 121.23 1bkg h ALA 287 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bkg h ALA 287 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bkg h ALA 287 CO -0.06 0.32 -0.01 0.35 0.00 0.00 0.00 179.25 179.84 1bkg h PHE 288 N 0.46 -0.03 -0.85 0.00 3.57 -0.91 -2.47 116.94 116.71 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 0.57 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 1bkg h PHE 288 CO 0.05 0.22 0.51 0.28 -2.23 0.00 0.00 178.31 177.14 1bkg h VAL 289 N -0.28 0.95 -0.53 1.41 2.07 -1.02 -0.18 116.25 118.67 1bkg h VAL 289 Ca -0.00 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1bkg h VAL 289 Cb 0.26 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1bkg h VAL 289 CO 0.00 0.16 0.11 -0.33 0.02 0.00 0.00 177.57 177.53 1bkg h GLU 290 N 0.87 0.87 -0.45 1.57 4.39 -1.29 -1.76 114.58 118.78 1bkg h GLU 290 Ca 0.40 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 1bkg h GLU 290 Cb 0.32 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1bkg h GLU 290 CO -0.23 0.83 0.02 1.98 -1.16 0.00 0.00 179.01 180.46 1bkg h MET 291 N 0.76 0.77 -0.29 2.33 4.05 -0.83 -2.86 114.93 118.86 1bkg h MET 291 Ca 0.17 -0.23 -0.11 0.00 -0.28 0.00 0.00 59.70 59.24 1bkg h MET 291 Cb 0.37 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1bkg h MET 291 CO 0.01 0.82 -0.23 0.00 0.23 0.00 0.00 176.91 177.74 1bkg h ALA 292 N 0.92 0.43 -0.40 0.39 0.00 -1.00 -3.03 119.26 116.56 1bkg h ALA 292 Ca 0.13 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1bkg h ALA 292 Cb 0.46 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1bkg h ALA 292 CO 0.02 0.40 0.11 -0.09 0.00 0.00 0.00 179.25 179.69 1bkg h ARG 293 N 0.43 0.25 0.00 0.00 2.43 -1.32 -0.88 114.38 115.29 1bkg h ARG 293 Ca 0.05 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1bkg h ARG 293 Cb 0.79 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1bkg h ARG 293 CO 0.06 0.17 -0.29 0.93 -1.51 0.00 0.00 179.97 179.33 1bkg h GLU 294 N 0.26 0.00 -0.25 0.20 4.39 -1.56 0.22 114.58 117.84 1bkg h GLU 294 Ca 0.19 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.74 1bkg h GLU 294 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1bkg h GLU 294 CO -0.22 0.29 -0.45 0.00 -1.16 0.00 0.00 179.01 177.47 1bkg h ALA 295 N 1.71 0.39 -0.34 3.43 0.00 -1.19 -1.75 119.26 121.51 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 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1bkg h ALA 295 CO 0.04 0.53 -0.09 1.88 0.00 0.00 0.00 179.25 181.61 1bkg h TYR 296 N 0.48 0.74 -0.49 0.00 0.05 -0.84 -1.90 116.97 115.01 1bkg h TYR 296 Ca 0.01 -0.16 0.05 0.00 0.05 0.00 0.00 58.73 58.68 1bkg h TYR 296 Cb 1.05 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.56 1bkg h TYR 296 CO 0.08 0.83 0.23 -0.09 -1.05 0.00 0.00 178.16 178.16 1bkg h ARG 297 N 0.45 0.44 -0.26 4.88 2.43 -0.95 0.37 114.38 121.74 1bkg h ARG 297 Ca 0.09 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1bkg h ARG 297 Cb 0.59 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1bkg h ARG 297 CO 0.03 0.29 0.10 -0.09 -1.51 0.00 0.00 179.97 178.79 1bkg h ARG 298 N 0.45 0.37 0.11 0.20 2.43 -1.17 -1.91 114.38 114.86 1bkg h ARG 298 Ca 0.22 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 59.08 1bkg h ARG 298 Cb 0.15 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1bkg h ARG 298 CO -0.17 0.32 -1.23 0.00 -1.51 0.00 0.00 179.97 177.38 1bkg h ARG 299 N 0.37 0.24 0.85 0.20 3.08 -0.32 -2.82 114.38 115.99 1bkg h ARG 299 Ca 0.09 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 1bkg h ARG 299 Cb 0.10 0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1bkg h ARG 299 CO -0.01 1.19 -0.41 -0.09 -1.07 0.00 0.00 179.97 179.58 1bkg h ARG 300 N 0.07 -1.11 -0.95 0.04 2.43 0.19 -1.01 114.38 114.03 1bkg h ARG 300 Ca -0.12 0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.28 1bkg h ARG 300 Cb 1.95 0.25 -0.10 0.00 -0.42 0.00 0.00 29.97 31.66 1bkg h ARG 300 CO 0.19 -0.74 0.56 -0.44 -1.51 0.00 0.00 179.97 178.04 1bkg h ASP 301 N -1.16 0.75 0.21 -3.80 5.19 -1.46 0.03 116.42 116.18 1bkg h ASP 301 Ca -0.12 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1bkg h ASP 301 Cb 0.88 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1bkg h ASP 301 CO 0.19 0.32 -0.10 0.25 -3.12 0.00 0.00 179.24 176.78 1bkg h LEU 302 N 0.79 -0.24 0.44 1.55 6.46 -1.27 -1.82 115.31 121.21 1bkg h LEU 302 Ca 0.52 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.21 1bkg h LEU 302 Cb 0.70 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1bkg h LEU 302 CO -0.34 -0.11 -0.27 0.25 -0.62 0.00 0.00 178.44 177.35 1bkg h LEU 303 N -0.36 -0.67 -1.07 2.25 6.46 -0.13 -2.64 115.31 119.14 1bkg h LEU 303 Ca -0.03 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1bkg h LEU 303 Cb 0.28 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 1bkg h LEU 303 CO 0.05 -0.43 0.62 -0.07 -0.62 0.00 0.00 178.44 178.00 1bkg h LEU 304 N -0.67 0.99 -0.96 2.25 3.38 -1.03 -1.10 115.31 118.16 1bkg h LEU 304 Ca -0.05 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1bkg h LEU 304 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1bkg h LEU 304 CO 0.05 0.63 0.03 -0.33 0.09 0.00 0.00 178.44 178.91 1bkg h GLU 305 N 1.12 0.78 -0.36 1.13 5.08 -1.25 -1.49 114.58 119.58 1bkg h GLU 305 Ca 0.41 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1bkg h GLU 305 Cb 0.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1bkg h GLU 305 CO -0.16 0.77 -0.32 0.78 -1.00 0.00 0.00 179.01 179.08 1bkg h GLY 306 N 0.96 0.88 0.72 -3.84 0.00 -0.89 -1.71 103.07 99.20 1bkg h GLY 306 Ca 0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1bkg h GLY 306 CO 0.01 0.76 -0.01 1.41 0.00 0.00 0.00 176.54 178.72 1bkg h LEU 307 N 0.68 0.14 -0.73 3.11 3.38 -1.02 -2.17 115.31 118.70 1bkg h LEU 307 Ca 0.07 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.83 1bkg h LEU 307 Cb 0.87 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1bkg h LEU 307 CO 0.08 0.44 0.32 0.74 0.09 0.00 0.00 178.44 180.10 1bkg h THR 308 N -0.17 0.73 0.00 0.22 2.02 -1.20 0.10 112.91 114.61 1bkg h THR 308 Ca 0.02 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1bkg h THR 308 Cb 0.37 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1bkg h THR 308 CO 0.01 0.09 -0.31 0.00 0.37 0.00 0.00 175.52 175.68 1bkg h ALA 309 N 1.50 1.44 -0.00 6.16 0.00 -1.17 -2.10 119.26 125.09 1bkg h ALA 309 Ca 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bkg h ALA 309 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bkg h ALA 309 CO -0.35 0.39 -0.24 1.28 0.00 0.00 0.00 179.25 180.32 1bkg n LEU 310 N -4.10 0.67 0.00 0.00 4.77 0.17 -4.94 117.00 113.57 1bkg n LEU 310 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1bkg n LEU 310 Cb 0.36 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1bkg n LEU 310 CO 0.38 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1bkg n GLY 311 N 1.37 0.42 3.76 -0.72 0.00 -0.16 -5.04 105.19 104.81 1bkg n GLY 311 Ca 0.11 -0.96 -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 4.25 0.28 0.99 1.43 -0.71 -4.99 118.68 119.92 1bkg s LEU 312 Ca 0.00 0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 53.20 1bkg s LEU 312 Cb 0.00 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 1bkg s LEU 312 CO 0.00 0.21 0.81 -0.54 0.23 0.00 0.00 176.35 177.06 1bkg s LYS 313 N 0.11 4.34 -0.29 1.70 1.02 -1.26 -4.13 119.74 121.23 1bkg s LYS 313 Ca 0.10 1.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.95 1bkg s LYS 313 Cb -0.11 -2.77 0.15 0.00 -0.52 0.00 0.00 37.83 34.57 1bkg s LYS 313 CO -0.00 0.31 0.98 0.00 -0.92 0.00 0.00 175.35 175.72 1bkg s ALA 314 N -1.63 -2.30 0.09 5.17 0.00 -1.26 -0.57 121.76 121.26 1bkg s ALA 314 Ca 0.47 2.20 -0.31 0.00 0.00 0.00 0.00 51.96 54.32 1bkg s ALA 314 Cb -0.16 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.16 1bkg s ALA 314 CO 0.21 -0.38 1.35 0.08 0.00 0.00 0.00 175.76 177.03 1bkg s VAL 315 N 1.40 3.49 -0.08 0.00 1.01 -1.26 -4.94 120.40 120.02 1bkg s VAL 315 Ca -0.09 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1bkg s VAL 315 Cb -0.04 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1bkg s VAL 315 CO -0.15 0.07 1.75 -0.60 0.00 0.00 0.00 175.10 176.17 1bkg s ARG 316 N 1.22 4.02 0.41 2.72 3.52 -1.26 -4.72 118.95 124.86 1bkg s ARG 316 Ca 0.63 2.15 -0.24 0.00 -0.13 0.00 0.00 55.73 58.15 1bkg s ARG 316 Cb -0.35 -4.06 -0.09 0.00 -1.56 0.00 0.00 34.95 28.90 1bkg s ARG 316 CO 0.30 -1.05 1.05 -1.25 -0.81 0.00 0.00 175.30 173.54 1bkg s PRO 317 N 4.41 4.11 0.00 5.12 0.04 -1.26 -4.91 135.00 142.50 1bkg s PRO 317 Ca 0.78 1.51 0.04 0.00 0.04 0.00 0.00 61.00 63.36 1bkg s PRO 317 Cb -0.33 -2.49 0.03 0.00 0.04 0.00 0.00 34.50 31.75 1bkg s PRO 317 CO 0.32 -0.19 0.65 0.43 0.04 0.00 0.00 177.00 178.25 1bkg n SER 318 N -0.19 1.37 -3.10 6.66 7.64 -0.41 -4.94 113.62 120.66 1bkg n SER 318 Ca 0.06 -1.20 -0.07 0.00 1.01 0.00 0.00 58.87 58.66 1bkg n SER 318 Cb 0.50 -0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.36 0.27 0.00 0.23 0.00 -0.70 -0.95 107.32 105.82 1bkg s GLY 319 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1bkg s GLY 319 CO 0.05 0.37 0.00 0.00 0.00 0.00 0.00 173.10 173.52 1bkg n ALA 320 N -0.57 0.00 -2.60 3.20 0.00 0.10 -4.47 120.51 116.18 1bkg n ALA 320 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1bkg n ALA 320 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.02 1.84 -4.24 0.00 1.16 -1.26 -4.90 117.46 109.04 1bkg n PHE 321 Ca 0.00 -2.72 -0.15 0.00 -1.87 0.00 0.00 57.45 52.71 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 -3.37 1.26 -0.05 2.97 2.02 -1.26 -2.18 117.35 116.74 1bkg s TYR 322 Ca 0.34 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 1bkg s TYR 322 Cb 0.42 -0.65 0.03 0.00 -0.40 0.00 0.00 41.96 41.36 1bkg s TYR 322 CO -0.03 0.08 0.11 0.08 -1.57 0.00 0.00 175.55 174.22 1bkg s VAL 323 N -3.02 -0.04 -0.34 0.71 1.01 -0.19 -4.31 120.40 114.21 1bkg s VAL 323 Ca 0.14 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1bkg s VAL 323 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1bkg s VAL 323 CO 0.01 0.07 0.49 -0.76 0.00 0.00 0.00 175.10 174.90 1bkg s LEU 324 N 0.96 4.34 -0.19 3.92 1.43 -1.26 -0.77 118.68 127.12 1bkg s LEU 324 Ca -0.08 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1bkg s LEU 324 Cb -0.10 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1bkg s LEU 324 CO -0.04 -0.44 0.07 -0.32 0.23 0.00 0.00 176.35 175.85 1bkg s MET 325 N 2.32 3.98 -0.20 1.70 -2.45 0.08 -4.03 119.30 120.71 1bkg s MET 325 Ca 0.18 -0.34 -0.29 0.00 -1.25 0.00 0.00 55.69 53.99 1bkg s MET 325 Cb -0.16 -3.25 -0.02 0.00 1.25 0.00 0.00 34.83 32.65 1bkg s MET 325 CO 0.13 0.24 1.49 0.34 1.05 0.00 0.00 175.02 178.28 1bkg s ASP 326 N 0.46 6.59 -0.08 1.11 -1.08 0.26 -1.34 116.67 122.58 1bkg s ASP 326 Ca 0.04 1.66 0.13 0.00 -0.52 0.00 0.00 52.55 53.85 1bkg s ASP 326 Cb -0.12 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.32 1bkg s ASP 326 CO 0.00 -1.07 1.38 0.35 0.52 0.00 0.00 175.17 176.35 1bkg n THR 327 N 6.02 1.32 -0.23 1.71 -2.24 -0.65 -4.29 114.28 115.91 1bkg n THR 327 Ca 0.17 -0.84 0.02 0.00 -2.27 0.00 0.00 64.05 61.13 1bkg n THR 327 Cb 0.45 -0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.81 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 2.91 0.31 0.09 3.42 0.02 -1.74 -1.06 113.55 117.51 1bkg h SER 328 Ca 0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1bkg h SER 328 Cb 1.12 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1bkg h SER 328 CO 0.18 0.17 -0.05 -0.65 -1.14 0.00 0.00 176.83 175.34 1bkg h PRO 329 N 0.48 0.00 0.15 3.45 0.11 -1.95 -3.19 132.00 131.06 1bkg h PRO 329 Ca 0.35 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.10 1bkg h PRO 329 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1bkg h PRO 329 CO -0.32 0.05 -1.89 0.82 -0.21 0.00 0.00 178.00 176.45 1bkg h ILE 330 N 0.00 0.75 -2.72 4.15 2.04 -1.57 -3.49 117.51 116.67 1bkg h ILE 330 Ca -0.00 -2.40 0.10 0.00 1.00 0.00 0.00 64.86 63.56 1bkg h ILE 330 Cb 0.11 2.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1bkg h ILE 330 CO 0.01 0.88 0.36 0.00 0.00 0.00 0.00 178.15 179.39 1bkg s ALA 331 N -2.56 -1.34 -0.54 1.87 0.00 -0.67 -4.89 121.76 113.62 1bkg s ALA 331 Ca -0.20 -0.22 0.26 0.00 0.00 0.00 0.00 51.96 51.79 1bkg s ALA 331 Cb 0.06 0.74 0.88 0.00 0.00 0.00 0.00 23.12 24.80 1bkg s ALA 331 CO 0.80 -1.04 1.76 -1.00 0.00 0.00 0.00 175.76 176.28 1bkg h PRO 332 N 2.00 0.00 -3.17 0.00 0.13 -1.84 -3.35 132.00 125.77 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 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1bkg h PRO 332 CO 0.28 0.00 -0.10 0.16 -0.23 0.00 0.00 178.00 178.10 1bkg s ASP 333 N -4.68 -0.25 0.41 1.44 -4.77 -1.26 -4.94 116.67 102.62 1bkg s ASP 333 Ca 0.07 -0.12 0.11 0.00 -3.30 0.00 0.00 52.55 49.31 1bkg s ASP 333 Cb 0.10 0.44 0.94 0.00 -1.09 0.00 0.00 42.92 43.31 1bkg s ASP 333 CO 0.52 -0.73 1.97 -0.33 0.70 0.00 0.00 175.17 177.31 1bkg h GLU 334 N 2.79 0.50 -0.08 2.11 3.07 -1.86 0.11 114.58 121.22 1bkg h GLU 334 Ca -0.32 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.48 1bkg h GLU 334 Cb 1.22 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1bkg h GLU 334 CO 0.45 0.33 -0.06 0.28 -1.40 0.00 0.00 179.01 178.62 1bkg h VAL 335 N 0.52 1.34 -0.36 3.13 2.07 -1.97 0.15 116.25 121.14 1bkg h VAL 335 Ca 0.29 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1bkg h VAL 335 Cb 0.45 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1bkg h VAL 335 CO -0.09 0.32 -0.22 -0.09 0.02 0.00 0.00 177.57 177.51 1bkg h ARG 336 N -0.22 0.69 -0.56 1.57 9.65 -1.90 -1.84 114.38 121.78 1bkg h ARG 336 Ca 0.02 -0.27 -0.07 0.00 -1.10 0.00 0.00 59.98 58.55 1bkg h ARG 336 Cb 0.53 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1bkg h ARG 336 CO 0.02 0.85 0.06 0.00 2.80 0.00 0.00 179.97 183.70 1bkg h ALA 337 N 1.15 0.75 0.00 2.80 0.00 -0.73 -1.36 119.26 121.86 1bkg h ALA 337 Ca 0.09 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1bkg h ALA 337 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bkg h ALA 337 CO 0.05 0.53 -0.38 0.00 0.00 0.00 0.00 179.25 179.45 1bkg h ALA 338 N 0.99 1.34 -0.23 0.00 0.00 -0.46 -2.35 119.26 118.53 1bkg h ALA 338 Ca 0.17 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1bkg h ALA 338 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1bkg h ALA 338 CO 0.02 0.47 -0.11 0.93 0.00 0.00 0.00 179.25 180.57 1bkg h GLU 339 N 0.00 0.49 -0.63 0.00 5.08 -0.68 -1.95 114.58 116.88 1bkg h GLU 339 Ca -0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1bkg h GLU 339 Cb 0.69 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1bkg h GLU 339 CO 0.05 0.75 0.35 0.00 -1.00 0.00 0.00 179.01 179.16 1bkg h ARG 340 N 0.20 0.87 -0.68 2.33 3.08 -1.01 -1.83 114.38 117.34 1bkg h ARG 340 Ca 0.05 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1bkg h ARG 340 Cb 0.60 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1bkg h ARG 340 CO 0.03 0.65 0.26 -0.07 -1.07 0.00 0.00 179.97 179.78 1bkg h LEU 341 N 0.85 0.95 -0.98 3.04 3.38 -1.39 -0.77 115.31 120.39 1bkg h LEU 341 Ca 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1bkg h LEU 341 Cb 0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1bkg h LEU 341 CO -0.04 0.87 0.44 0.25 0.09 0.00 0.00 178.44 180.06 1bkg h LEU 342 N 0.97 1.04 -1.91 1.67 6.46 -0.95 0.58 115.31 123.17 1bkg h LEU 342 Ca 0.22 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1bkg h LEU 342 Cb 0.23 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1bkg h LEU 342 CO -0.02 0.84 0.00 -0.33 -0.62 0.00 0.00 178.44 178.32 1bkg h GLU 343 N 1.16 0.00 -0.29 1.25 5.08 -0.60 -1.17 114.58 120.01 1bkg h GLU 343 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1bkg h GLU 343 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1bkg h GLU 343 CO -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.97 1bkg n ALA 344 N -2.08 2.44 -0.44 3.43 0.00 -0.14 -4.95 120.51 118.77 1bkg n ALA 344 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1bkg n ALA 344 Cb 0.24 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.44 0.73 2.91 0.00 0.00 -0.44 -4.86 105.19 104.97 1bkg n GLY 345 Ca 0.18 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 0.99 -0.24 1.61 1.01 0.01 -0.99 120.40 120.79 1bkg s VAL 346 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1bkg s VAL 346 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1bkg s VAL 346 CO 0.00 0.36 0.35 0.00 0.00 0.00 0.00 175.10 175.81 1bkg s ALA 347 N 1.63 3.57 0.34 5.51 0.00 -0.40 -2.34 121.76 130.07 1bkg s ALA 347 Ca 0.03 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1bkg s ALA 347 Cb -0.13 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.31 1bkg s ALA 347 CO -0.07 -0.43 -0.00 0.14 0.00 0.00 0.00 175.76 175.39 1bkg s VAL 348 N 1.59 1.63 -0.32 0.00 -7.23 -1.26 -1.28 120.40 113.53 1bkg s VAL 348 Ca 0.16 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 1bkg s VAL 348 Cb -0.15 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 1bkg s VAL 348 CO 0.08 -0.11 0.19 -0.69 -0.31 0.00 0.00 175.10 174.27 1bkg s VAL 349 N -3.00 4.96 0.52 1.32 1.01 -1.12 -4.93 120.40 119.16 1bkg s VAL 349 Ca 0.34 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1bkg s VAL 349 Cb 0.07 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 1bkg s VAL 349 CO 0.15 0.07 1.36 -2.16 0.00 0.00 0.00 175.10 174.52 1bkg s PRO 350 N 1.68 3.27 0.00 2.72 0.04 -1.26 -0.46 135.00 140.99 1bkg s PRO 350 Ca 0.06 2.24 0.26 0.00 0.04 0.00 0.00 61.00 63.59 1bkg s PRO 350 Cb -0.17 -2.34 1.55 0.00 0.04 0.00 0.00 34.50 33.58 1bkg s PRO 350 CO 0.08 -1.08 1.94 0.41 0.04 0.00 0.00 177.00 178.39 1bkg n GLY 351 N 0.68 -0.89 0.34 0.56 0.00 -0.52 -4.36 105.19 101.00 1bkg n GLY 351 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.49 112.91 116.22 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 -4.73 0.09 -0.34 4.18 8.00 -1.26 -0.95 116.55 121.55 1bkg n ASP 353 Ca -0.02 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.13 1bkg n ASP 353 Cb 0.25 -0.54 0.32 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.60 0.00 -1.34 1.24 3.72 -0.31 -4.48 117.46 114.69 1bkg n PHE 354 Ca 0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.34 1bkg n PHE 354 Cb 0.16 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.39 -0.15 -3.02 4.37 0.00 -0.12 -1.46 120.51 119.72 1bkg n ALA 355 Ca 0.12 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 1bkg n ALA 355 Cb 0.38 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.00 5.13 -1.76 0.00 0.00 0.01 -4.63 120.51 120.25 1bkg n ALA 356 Ca -0.10 -4.80 -0.36 0.00 0.00 0.00 0.00 53.44 48.19 1bkg n ALA 356 Cb 0.33 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.60 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 -2.85 2.49 0.00 0.00 0.08 -1.26 -2.62 117.98 113.82 1bkg s PHE 357 Ca 0.32 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.89 1bkg s PHE 357 Cb 0.07 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 1bkg s PHE 357 CO 0.09 -2.02 0.00 0.41 -0.10 0.00 0.00 175.22 173.60 1bkg n GLY 358 N 0.42 0.75 3.46 4.36 0.00 -1.26 -4.98 105.19 107.93 1bkg n GLY 358 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.24 2.03 0.02 1.61 3.76 -1.08 -1.63 115.29 116.76 1bkg s HIS 359 Ca 0.00 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.16 1bkg s HIS 359 Cb 0.00 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.44 1bkg s HIS 359 CO 0.00 0.23 -0.05 0.54 -0.85 0.00 0.00 174.74 174.62 1bkg s VAL 360 N -3.04 0.31 -0.23 -0.90 0.11 -0.45 -1.44 120.40 114.76 1bkg s VAL 360 Ca 0.32 -0.61 -0.10 0.00 -2.93 0.00 0.00 61.98 58.66 1bkg s VAL 360 Cb 0.06 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1bkg s VAL 360 CO 0.14 -0.20 0.14 -0.60 -3.33 0.00 0.00 175.10 171.25 1bkg s ARG 361 N -0.87 4.07 0.10 1.54 3.52 0.40 -0.74 118.95 126.97 1bkg s ARG 361 Ca -0.06 -0.27 0.05 0.00 -0.13 0.00 0.00 55.73 55.32 1bkg s ARG 361 Cb -0.06 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1bkg s ARG 361 CO -0.00 0.12 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.08 1bkg s LEU 362 N 0.88 3.39 -0.10 -0.88 1.43 0.05 -2.78 118.68 120.68 1bkg s LEU 362 Ca 0.07 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1bkg s LEU 362 Cb -0.13 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1bkg s LEU 362 CO 0.03 0.17 -0.20 -0.44 0.23 0.00 0.00 176.35 176.14 1bkg s SER 363 N -2.33 2.71 -0.65 2.29 0.01 -0.53 -1.02 113.70 114.19 1bkg s SER 363 Ca 0.25 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 1bkg s SER 363 Cb -0.11 -1.24 0.44 0.00 0.21 0.00 0.00 66.02 65.31 1bkg s SER 363 CO 0.18 0.10 1.94 0.00 0.41 0.00 0.00 173.24 175.87 1bkg n TYR 364 N 3.75 3.16 -1.38 2.43 0.18 -0.93 -4.55 117.16 119.83 1bkg n TYR 364 Ca -0.20 -2.88 -0.35 0.00 1.88 0.00 0.00 57.90 56.35 1bkg n TYR 364 Cb 0.52 -1.30 0.08 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 -0.85 6.30 -2.27 -3.48 0.00 -1.26 -4.82 120.51 114.13 1bkg n ALA 365 Ca 0.60 -3.51 -0.16 0.00 0.00 0.00 0.00 53.44 50.36 1bkg n ALA 365 Cb 0.64 -1.73 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 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 -4.83 0.12 0.68 0.00 -4.23 -1.26 -4.05 115.64 102.07 1bkg s THR 366 Ca 0.64 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.98 1bkg s THR 366 Cb 0.50 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 1bkg s THR 366 CO -0.02 0.00 1.01 -1.54 -0.54 0.00 0.00 174.62 173.53 1bkg n SER 367 N -0.84 0.75 0.25 3.99 3.41 -1.26 -4.81 113.62 115.11 1bkg n SER 367 Ca 0.03 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.44 1bkg n SER 367 Cb 0.65 -1.42 0.60 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.02 0.00 -0.38 4.33 5.08 -1.98 -1.71 114.58 119.94 1bkg h GLU 368 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1bkg h GLU 368 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1bkg h GLU 368 CO 0.49 0.05 0.08 1.49 -1.00 0.00 0.00 179.01 180.12 1bkg h GLU 369 N 0.00 0.62 -0.57 2.33 4.81 -1.99 -0.96 114.58 118.83 1bkg h GLU 369 Ca -0.00 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1bkg h GLU 369 Cb 0.09 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1bkg h GLU 369 CO 0.01 0.66 0.25 -0.91 -0.73 0.00 0.00 179.01 178.29 1bkg h ASN 370 N 0.48 0.76 -0.23 1.04 2.35 -1.68 0.11 115.58 118.41 1bkg h ASN 370 Ca 0.12 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1bkg h ASN 370 Cb 0.33 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1bkg h ASN 370 CO 0.00 0.70 0.15 -0.07 -1.65 0.00 0.00 177.43 176.56 1bkg h LEU 371 N 0.77 0.27 -0.75 1.61 3.38 -1.24 0.14 115.31 119.49 1bkg h LEU 371 Ca 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1bkg h LEU 371 Cb 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1bkg h LEU 371 CO -0.02 0.21 0.37 0.03 0.09 0.00 0.00 178.44 179.12 1bkg h ARG 372 N 0.30 1.07 -0.71 1.13 3.08 -0.98 -0.69 114.38 117.58 1bkg h ARG 372 Ca 0.08 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1bkg h ARG 372 Cb -0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1bkg h ARG 372 CO -0.02 0.83 0.30 -0.22 -1.07 0.00 0.00 179.97 179.80 1bkg h LYS 373 N 1.05 1.05 -0.47 0.04 3.64 -0.34 -2.45 116.57 119.08 1bkg h LYS 373 Ca 0.26 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1bkg h LYS 373 Cb 0.11 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1bkg h LYS 373 CO -0.03 0.85 -0.04 0.00 -2.27 0.00 0.00 179.45 177.96 1bkg h ALA 374 N 1.14 0.64 0.00 5.00 0.00 -0.22 -2.73 119.26 123.09 1bkg h ALA 374 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bkg h ALA 374 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bkg h ALA 374 CO -0.02 0.47 -0.03 -0.07 0.00 0.00 0.00 179.25 179.60 1bkg h LEU 375 N 0.70 0.00 -0.11 0.00 3.38 -0.84 -0.86 115.31 117.58 1bkg h LEU 375 Ca 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1bkg h LEU 375 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1bkg h LEU 375 CO 0.03 0.03 -0.66 -0.33 0.09 0.00 0.00 178.44 177.61 1bkg h GLU 376 N 0.00 0.63 -0.10 1.13 5.08 -1.14 -2.74 114.58 117.45 1bkg h GLU 376 Ca -0.00 -0.54 -0.11 0.00 -1.00 0.00 0.00 59.36 57.71 1bkg h GLU 376 Cb 0.08 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1bkg h GLU 376 CO 0.00 1.16 -0.42 0.00 -1.00 0.00 0.00 179.01 178.75 1bkg h ARG 377 N 0.29 0.22 -0.44 2.33 3.08 -1.26 -2.11 114.38 116.50 1bkg h ARG 377 Ca -0.05 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1bkg h ARG 377 Cb 1.30 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1bkg h ARG 377 CO 0.13 0.61 0.20 0.74 -1.07 0.00 0.00 179.97 180.58 1bkg h PHE 378 N 0.19 0.65 0.22 3.04 0.04 -1.20 -1.96 116.94 117.91 1bkg h PHE 378 Ca 0.02 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1bkg h PHE 378 Cb 0.83 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 1bkg h PHE 378 CO 0.01 0.54 -0.51 0.00 -0.60 0.00 0.00 178.31 177.75 1bkg h ALA 379 N 1.04 -0.99 -0.26 2.45 0.00 -1.11 -1.93 119.26 118.46 1bkg h ALA 379 Ca 0.15 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1bkg h ALA 379 Cb 0.15 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bkg h ALA 379 CO -0.02 -1.12 0.18 0.07 0.00 0.00 0.00 179.25 178.36 1bkg h ARG 380 N -0.80 0.11 -0.49 0.00 0.11 -1.22 -0.02 114.38 112.06 1bkg h ARG 380 Ca -0.01 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 1bkg h ARG 380 Cb 0.78 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.81 1bkg h ARG 380 CO -0.23 0.07 0.05 0.28 0.10 0.00 0.00 179.97 180.24 1bkg h VAL 381 N 0.11 1.23 -0.01 0.08 2.07 -0.65 -3.52 116.25 115.57 1bkg h VAL 381 Ca 0.12 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1bkg h VAL 381 Cb 0.32 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1bkg h VAL 381 CO -0.01 0.33 0.00 0.18 0.02 0.00 0.00 177.57 178.08