#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3blg n ILE 2 N 0.00 0.00 -2.48 -0.08 5.41 -1.26 -4.95 119.36 115.99 3blg n ILE 2 Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 3blg n ILE 2 Cb 0.00 -0.77 -0.02 0.00 -0.71 0.00 0.00 39.64 38.14 3blg n ILE 2 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3blg s VAL 3 N -1.95 4.37 -2.86 1.39 1.01 -1.26 -4.89 120.40 116.21 3blg s VAL 3 Ca 0.00 1.66 0.23 0.00 0.00 0.00 0.00 61.98 63.88 3blg s VAL 3 Cb 0.00 -4.07 0.21 0.00 0.00 0.00 0.00 36.38 32.52 3blg s VAL 3 CO 0.00 -0.11 1.26 0.35 0.00 0.00 0.00 175.10 176.60 3blg n THR 4 N 5.19 0.06 -4.02 3.92 -2.24 -1.26 -4.91 114.28 111.02 3blg n THR 4 Ca 0.13 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 3blg n THR 4 Cb 0.45 1.42 -0.14 0.00 -2.10 0.00 0.00 70.33 69.97 3blg n THR 4 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3blg s GLN 5 N -1.89 3.41 0.03 -0.78 0.74 -1.26 -5.10 119.66 114.81 3blg s GLN 5 Ca 0.29 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 55.09 3blg s GLN 5 Cb 0.20 -2.98 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 3blg s GLN 5 CO 0.29 -0.13 -0.04 0.95 -0.55 0.00 0.00 175.29 175.81 3blg s THR 6 N 1.29 0.27 -0.22 -0.34 -4.23 -1.25 -4.26 115.64 106.90 3blg s THR 6 Ca 0.04 -1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 59.14 3blg s THR 6 Cb -0.14 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.11 3blg s THR 6 CO -0.02 -0.54 1.38 -0.04 -0.54 0.00 0.00 174.62 174.86 3blg s MET 7 N -1.89 4.00 -0.23 3.99 -1.94 -0.68 -4.87 119.30 117.68 3blg s MET 7 Ca -0.10 1.53 -0.29 0.00 -1.71 0.00 0.00 55.69 55.11 3blg s MET 7 Cb -0.07 -3.89 0.01 0.00 2.01 0.00 0.00 34.83 32.89 3blg s MET 7 CO -0.02 -1.02 1.05 0.15 -0.01 0.00 0.00 175.02 175.18 3blg s LYS 8 N 4.07 4.25 -0.25 2.03 1.02 -1.26 -3.98 119.74 125.63 3blg s LYS 8 Ca 0.60 1.37 -0.01 0.00 0.02 0.00 0.00 55.97 57.96 3blg s LYS 8 Cb -0.21 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 3blg s LYS 8 CO 0.22 -0.64 0.21 0.41 -0.92 0.00 0.00 175.35 174.64 3blg n GLY 9 N 3.35 0.34 3.72 -3.33 0.00 -1.26 -5.01 105.19 103.00 3blg n GLY 9 Ca 0.12 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3blg n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3blg s LEU 10 N -3.19 4.42 -0.58 0.99 2.96 -1.26 -4.98 118.68 117.05 3blg s LEU 10 Ca 0.04 1.92 -0.09 0.00 -0.22 0.00 0.00 54.13 55.78 3blg s LEU 10 Cb -0.01 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.25 3blg s LEU 10 CO 0.16 -0.30 0.46 -0.62 -1.32 0.00 0.00 176.35 174.73 3blg s ASP 11 N 0.59 5.85 0.57 3.68 -1.08 -1.26 -4.93 116.67 120.09 3blg s ASP 11 Ca 0.53 -2.27 0.34 0.00 -0.52 0.00 0.00 52.55 50.64 3blg s ASP 11 Cb -0.27 -2.03 1.87 0.00 -1.46 0.00 0.00 42.92 41.03 3blg s ASP 11 CO 0.31 -0.61 2.04 -0.29 0.52 0.00 0.00 175.17 177.14 3blg h ILE 12 N 5.66 0.00 -0.04 4.11 6.09 -1.93 -1.62 117.51 129.77 3blg h ILE 12 Ca -0.11 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 63.18 3blg h ILE 12 Cb 1.04 0.76 -0.00 0.00 0.47 0.00 0.00 36.82 39.09 3blg h ILE 12 CO 0.82 0.00 -0.83 1.56 -3.07 0.00 0.00 178.15 176.63 3blg h GLN 13 N 0.00 0.42 0.00 2.19 1.08 -1.95 -3.23 115.11 113.62 3blg h GLN 13 Ca 0.00 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 3blg h GLN 13 Cb 0.21 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3blg h GLN 13 CO 0.00 1.04 0.00 1.63 -0.95 0.00 0.00 178.83 180.55 3blg n LYS 14 N -3.80 0.22 -0.22 1.46 5.02 -0.61 -2.64 118.16 117.60 3blg n LYS 14 Ca -0.05 0.37 0.08 0.00 -2.02 0.00 0.00 58.31 56.68 3blg n LYS 14 Cb 0.77 -1.86 0.22 0.00 -0.02 0.00 0.00 35.03 34.14 3blg n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3blg n VAL 15 N -2.27 0.59 -1.59 -0.18 0.24 -1.22 -4.88 118.33 109.02 3blg n VAL 15 Ca 0.03 -0.61 -0.33 0.00 -2.04 0.00 0.00 64.34 61.40 3blg n VAL 15 Cb 0.29 0.34 0.07 0.00 -1.47 0.00 0.00 33.84 33.07 3blg n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3blg s ALA 16 N -1.41 2.34 0.00 2.33 0.00 -1.08 -4.69 121.76 119.25 3blg s ALA 16 Ca 0.32 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3blg s ALA 16 Cb 0.17 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3blg s ALA 16 CO 0.22 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 174.89 3blg n GLY 17 N -0.45 -0.40 3.76 0.00 0.00 -0.06 -4.92 105.19 103.12 3blg n GLY 17 Ca 0.11 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 3blg n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3blg s THR 18 N 0.00 4.61 0.08 2.61 -4.23 -1.26 -0.64 115.64 116.81 3blg s THR 18 Ca 0.00 1.59 0.02 0.00 -1.18 0.00 0.00 61.69 62.12 3blg s THR 18 Cb 0.00 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 3blg s THR 18 CO 0.00 0.44 -0.07 0.26 -0.54 0.00 0.00 174.62 174.72 3blg s TRP 19 N -0.56 0.80 -0.08 3.99 0.52 -1.09 -4.71 118.94 117.81 3blg s TRP 19 Ca 0.36 -0.79 0.03 0.00 0.02 0.00 0.00 56.10 55.72 3blg s TRP 19 Cb -0.21 -0.47 0.00 0.00 -1.15 0.00 0.00 33.47 31.64 3blg s TRP 19 CO 0.23 -0.14 -0.19 0.71 0.02 0.00 0.00 176.95 177.59 3blg s TYR 20 N -2.95 2.04 -1.01 -1.98 1.51 0.63 -4.22 117.35 111.37 3blg s TYR 20 Ca 0.05 -0.78 -0.23 0.00 -1.01 0.00 0.00 57.07 55.10 3blg s TYR 20 Cb 0.01 -1.40 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3blg s TYR 20 CO -0.03 -0.33 1.56 -1.12 -1.11 0.00 0.00 175.55 174.52 3blg s SER 21 N 0.41 6.25 0.19 2.29 0.01 -1.26 -0.86 113.70 120.74 3blg s SER 21 Ca -0.15 -1.36 -0.01 0.00 1.31 0.00 0.00 55.95 55.74 3blg s SER 21 Cb -0.16 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.62 3blg s SER 21 CO 0.06 -1.73 1.49 0.25 0.41 0.00 0.00 173.24 173.72 3blg h LEU 22 N 13.76 0.51 -7.38 2.44 5.85 -1.62 -3.45 115.31 125.43 3blg h LEU 22 Ca 0.19 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 3blg h LEU 22 Cb 1.00 -0.15 -0.19 0.00 0.37 0.00 0.00 40.66 41.69 3blg h LEU 22 CO 1.39 1.01 -0.14 0.00 -0.34 0.00 0.00 178.44 180.36 3blg s ALA 23 N -3.83 -1.03 -0.01 1.25 0.00 -1.20 -1.34 121.76 115.60 3blg s ALA 23 Ca -0.06 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 3blg s ALA 23 Cb 0.11 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3blg s ALA 23 CO 0.83 -0.34 0.12 0.00 0.00 0.00 0.00 175.76 176.38 3blg s MET 24 N -1.64 0.37 0.02 0.00 0.23 -0.67 -1.11 119.30 116.51 3blg s MET 24 Ca -0.11 -0.24 -0.04 0.00 -1.03 0.00 0.00 55.69 54.27 3blg s MET 24 Cb -0.03 0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.42 3blg s MET 24 CO 0.03 -0.08 0.06 0.00 -2.03 0.00 0.00 175.02 173.00 3blg s ALA 25 N -0.95 -0.05 0.14 3.16 0.00 0.32 -0.72 121.76 123.67 3blg s ALA 25 Ca -0.10 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 3blg s ALA 25 Cb -0.06 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 3blg s ALA 25 CO 0.01 -0.24 0.27 0.00 0.00 0.00 0.00 175.76 175.80 3blg s ALA 26 N -1.98 -0.11 -0.79 0.00 0.00 -0.92 0.30 121.76 118.26 3blg s ALA 26 Ca -0.11 -0.77 0.26 0.00 0.00 0.00 0.00 51.96 51.35 3blg s ALA 26 Cb -0.05 0.75 0.79 0.00 0.00 0.00 0.00 23.12 24.61 3blg s ALA 26 CO -0.02 -0.61 1.70 -1.13 0.00 0.00 0.00 175.76 175.70 3blg n SER 27 N -0.17 0.60 -4.02 0.00 3.41 -0.57 -0.22 113.62 112.65 3blg n SER 27 Ca -0.10 0.42 -0.25 0.00 -0.26 0.00 0.00 58.87 58.68 3blg n SER 27 Cb 0.63 -0.48 -0.17 0.00 -0.26 0.00 0.00 64.21 63.93 3blg n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3blg s ASP 28 N -4.04 1.90 0.26 4.04 -1.08 -1.26 -4.08 116.67 112.41 3blg s ASP 28 Ca 0.11 -0.32 -0.03 0.00 -0.52 0.00 0.00 52.55 51.79 3blg s ASP 28 Cb 0.14 -0.86 0.40 0.00 -1.46 0.00 0.00 42.92 41.14 3blg s ASP 28 CO 0.61 0.02 1.87 0.40 0.52 0.00 0.00 175.17 178.59 3blg h ILE 29 N 5.99 1.06 0.00 4.11 2.04 -1.85 -1.27 117.51 127.58 3blg h ILE 29 Ca -0.30 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3blg h ILE 29 Cb 1.18 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3blg h ILE 29 CO 0.47 0.20 0.00 -1.54 0.00 0.00 0.00 178.15 177.28 3blg n SER 30 N -4.55 0.36 0.19 1.72 3.41 -1.26 -0.74 113.62 112.75 3blg n SER 30 Ca 0.15 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 3blg n SER 30 Cb 0.20 -0.67 0.24 0.00 -0.26 0.00 0.00 64.21 63.73 3blg n SER 30 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3blg h LEU 31 N 0.00 0.00 -0.86 1.04 4.07 -1.65 -3.34 115.31 114.57 3blg h LEU 31 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3blg h LEU 31 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3blg h LEU 31 CO 0.00 0.28 0.00 0.18 -1.08 0.00 0.00 178.44 177.82 3blg n LEU 32 N -3.26 0.57 0.00 1.67 4.77 -1.05 -2.92 117.00 116.78 3blg n LEU 32 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3blg n LEU 32 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3blg n LEU 32 CO 0.36 0.14 0.07 0.47 -1.33 0.00 0.00 177.39 177.10 3blg n ASP 33 N -0.06 0.00 -4.79 -1.43 8.00 0.08 -4.77 116.55 113.57 3blg n ASP 33 Ca 0.00 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.42 3blg n ASP 33 Cb 0.21 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.41 3blg n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3blg s ALA 34 N -2.05 4.05 0.35 2.24 0.00 -1.26 -4.97 121.76 120.12 3blg s ALA 34 Ca 0.00 -1.88 0.29 0.00 0.00 0.00 0.00 51.96 50.37 3blg s ALA 34 Cb 0.00 -1.82 1.41 0.00 0.00 0.00 0.00 23.12 22.71 3blg s ALA 34 CO 0.00 -1.26 2.04 0.37 0.00 0.00 0.00 175.76 176.91 3blg h GLN 35 N -0.29 0.00 -0.07 0.00 5.75 -1.98 -2.20 115.11 116.31 3blg h GLN 35 Ca -0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 3blg h GLN 35 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 3blg h GLN 35 CO 0.40 0.12 0.00 -1.13 -2.65 0.00 0.00 178.83 175.57 3blg n SER 36 N -3.50 1.73 -4.67 -0.69 3.41 -1.26 -4.42 113.62 104.22 3blg n SER 36 Ca -0.01 -1.61 -0.44 0.00 -0.26 0.00 0.00 58.87 56.54 3blg n SER 36 Cb 0.27 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 3blg n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3blg n ALA 37 N 0.35 0.92 -0.31 7.33 0.00 -0.83 -4.90 120.51 123.08 3blg n ALA 37 Ca 0.18 0.39 0.13 0.00 0.00 0.00 0.00 53.44 54.14 3blg n ALA 37 Cb 0.37 -2.22 0.37 0.00 0.00 0.00 0.00 19.45 17.98 3blg n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3blg h PRO 38 N 3.09 0.67 -0.64 0.00 0.13 -1.84 -2.31 132.00 131.12 3blg h PRO 38 Ca -0.45 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.38 3blg h PRO 38 Cb 1.29 -0.15 -0.15 0.00 0.13 0.00 0.00 31.00 32.11 3blg h PRO 38 CO 0.67 0.45 0.24 1.28 -0.23 0.00 0.00 178.00 180.41 3blg n LEU 39 N -4.62 5.43 -4.36 1.56 4.77 -1.15 -4.76 117.00 113.87 3blg n LEU 39 Ca 0.20 -3.46 -0.45 0.00 -0.03 0.00 0.00 56.01 52.27 3blg n LEU 39 Cb 0.54 -0.71 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3blg n LEU 39 CO 0.27 0.98 0.88 -0.60 -1.33 0.00 0.00 177.39 177.59 3blg s ARG 40 N -3.13 4.15 0.09 3.23 6.06 -0.87 -4.86 118.95 123.62 3blg s ARG 40 Ca 0.51 -3.06 0.09 0.00 -2.50 0.00 0.00 55.73 50.77 3blg s ARG 40 Cb 0.43 -4.65 -0.04 0.00 0.06 0.00 0.00 34.95 30.76 3blg s ARG 40 CO 0.08 -1.34 -0.21 0.14 -2.50 0.00 0.00 175.30 171.47 3blg s VAL 41 N -0.65 2.59 -0.20 7.11 -7.23 -1.26 -4.61 120.40 116.15 3blg s VAL 41 Ca 0.32 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 3blg s VAL 41 Cb -0.09 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3blg s VAL 41 CO -0.07 0.21 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.51 3blg s TYR 42 N -1.01 2.88 0.24 2.82 2.02 -0.26 -4.94 117.35 119.09 3blg s TYR 42 Ca 0.15 -1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 55.34 3blg s TYR 42 Cb -0.10 -2.02 -0.09 0.00 -0.40 0.00 0.00 41.96 39.34 3blg s TYR 42 CO 0.07 -0.65 1.22 0.08 -1.57 0.00 0.00 175.55 174.70 3blg s VAL 43 N 1.38 3.31 -0.06 0.71 1.01 -1.26 -0.52 120.40 124.96 3blg s VAL 43 Ca 0.05 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 3blg s VAL 43 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3blg s VAL 43 CO -0.07 0.23 -0.06 -0.62 0.00 0.00 0.00 175.10 174.57 3blg n GLU 44 N 1.89 0.15 -3.63 2.72 -0.58 0.12 -4.21 120.64 117.10 3blg n GLU 44 Ca 0.03 0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.66 3blg n GLU 44 Cb 0.44 -1.01 -0.07 0.00 -0.57 0.00 0.00 31.44 30.22 3blg n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3blg s GLU 45 N -2.12 0.82 -0.15 3.49 2.12 -1.09 -2.67 118.70 119.10 3blg s GLU 45 Ca -0.09 0.74 -0.00 0.00 0.36 0.00 0.00 54.97 55.98 3blg s GLU 45 Cb 0.03 0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.80 3blg s GLU 45 CO 0.14 -0.14 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.08 3blg s LEU 46 N -0.03 2.68 -0.36 2.70 1.43 0.19 -1.51 118.68 123.79 3blg s LEU 46 Ca -0.03 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3blg s LEU 46 Cb -0.04 -1.61 0.11 0.00 0.03 0.00 0.00 46.19 44.68 3blg s LEU 46 CO 0.03 0.13 0.12 -0.54 0.23 0.00 0.00 176.35 176.32 3blg s LYS 47 N 0.58 1.15 -0.03 1.70 1.02 0.52 -0.88 119.74 123.79 3blg s LYS 47 Ca -0.08 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.00 3blg s LYS 47 Cb -0.16 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 3blg s LYS 47 CO 0.03 -1.02 1.33 -1.25 -0.92 0.00 0.00 175.35 173.53 3blg s PRO 48 N 1.01 4.30 0.53 -1.68 0.04 -1.26 -0.16 135.00 137.78 3blg s PRO 48 Ca 0.12 1.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 3blg s PRO 48 Cb -0.20 -3.60 -0.07 0.00 0.04 0.00 0.00 34.50 30.67 3blg s PRO 48 CO -0.13 -0.55 0.99 0.95 0.04 0.00 0.00 177.00 178.30 3blg s THR 49 N 2.47 4.57 0.51 1.26 -4.23 -0.69 -4.93 115.64 114.61 3blg s THR 49 Ca 0.61 1.14 0.18 0.00 -1.18 0.00 0.00 61.69 62.44 3blg s THR 49 Cb -0.28 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.12 3blg s THR 49 CO 0.24 -0.77 2.09 1.55 -0.54 0.00 0.00 174.62 177.19 3blg h PRO 50 N 0.71 0.06 0.00 3.99 0.13 -1.95 -1.95 132.00 132.99 3blg h PRO 50 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3blg h PRO 50 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3blg h PRO 50 CO 0.62 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 3blg n GLU 51 N -4.49 0.11 0.00 0.86 1.02 -1.26 -4.86 120.64 112.03 3blg n GLU 51 Ca 0.02 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3blg n GLU 51 Cb 0.25 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3blg n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3blg n GLY 52 N -0.73 2.19 3.08 0.62 0.00 -0.73 -5.01 105.19 104.61 3blg n GLY 52 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3blg n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3blg n ASP 53 N 0.00 -2.64 -3.78 1.61 8.00 -1.26 -4.46 116.55 114.02 3blg n ASP 53 Ca 0.00 -1.01 -0.16 0.00 0.71 0.00 0.00 54.79 54.34 3blg n ASP 53 Cb 0.00 -0.91 -0.16 0.00 -0.02 0.00 0.00 41.12 40.03 3blg n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3blg s LEU 54 N 0.00 1.08 -0.16 0.64 2.96 0.41 -1.70 118.68 121.91 3blg s LEU 54 Ca 0.63 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 54.42 3blg s LEU 54 Cb -0.08 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 3blg s LEU 54 CO 0.50 -0.12 0.33 -1.61 -1.32 0.00 0.00 176.35 174.12 3blg s GLU 55 N 1.09 4.26 -0.14 1.98 2.02 0.77 -0.28 118.70 128.39 3blg s GLU 55 Ca -0.09 0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.06 3blg s GLU 55 Cb -0.13 -3.45 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 3blg s GLU 55 CO -0.03 0.18 -0.18 0.42 0.02 0.00 0.00 175.26 175.68 3blg s ILE 56 N 0.63 2.52 -0.21 -1.63 1.01 0.12 -0.36 121.20 123.29 3blg s ILE 56 Ca 0.18 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 3blg s ILE 56 Cb -0.13 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 3blg s ILE 56 CO 0.05 0.53 -0.02 -0.76 0.00 0.00 0.00 174.94 174.75 3blg s LEU 57 N 0.64 3.09 0.10 2.97 1.02 -0.57 -0.61 118.68 125.34 3blg s LEU 57 Ca -0.09 -0.29 0.01 0.00 0.02 0.00 0.00 54.13 53.78 3blg s LEU 57 Cb -0.16 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 3blg s LEU 57 CO 0.02 0.02 -0.05 -1.48 0.02 0.00 0.00 176.35 174.88 3blg s LEU 58 N 1.25 2.45 0.07 1.79 0.05 -0.41 -0.71 118.68 123.16 3blg s LEU 58 Ca 0.03 -1.03 0.04 0.00 0.05 0.00 0.00 54.13 53.22 3blg s LEU 58 Cb -0.14 -0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 43.91 3blg s LEU 58 CO 0.00 -0.49 0.01 -1.10 -0.55 0.00 0.00 176.35 174.22 3blg s GLN 59 N -3.85 2.66 -0.25 1.48 -0.21 0.33 -0.24 119.66 119.57 3blg s GLN 59 Ca 0.13 -0.76 -0.18 0.00 0.02 0.00 0.00 55.36 54.57 3blg s GLN 59 Cb 0.06 -2.60 0.07 0.00 1.00 0.00 0.00 33.01 31.53 3blg s GLN 59 CO -0.04 0.56 0.63 0.21 -2.12 0.00 0.00 175.29 174.53 3blg s LYS 60 N -2.14 0.68 -0.52 2.91 2.20 0.14 -1.10 119.74 121.91 3blg s LYS 60 Ca 0.25 1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 56.58 3blg s LYS 60 Cb -0.12 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.45 3blg s LYS 60 CO 0.17 -0.12 1.22 -0.46 -0.36 0.00 0.00 175.35 175.80 3blg s TRP 61 N 1.01 2.62 0.00 4.03 -0.11 -1.26 -0.30 118.94 124.93 3blg s TRP 61 Ca -0.05 0.56 0.00 0.00 1.22 0.00 0.00 56.10 57.82 3blg s TRP 61 Cb -0.05 -4.46 0.00 0.00 -1.50 0.00 0.00 33.47 27.46 3blg s TRP 61 CO -0.09 -1.56 0.00 -1.91 -4.62 0.00 0.00 176.95 168.77 3blg n GLU 62 N 8.22 0.00 0.00 5.86 2.13 -1.13 -4.63 120.64 131.09 3blg n GLU 62 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3blg n GLU 62 Cb 0.49 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 32.16 3blg n GLU 62 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3blg n ASN 63 N -0.25 0.00 -2.28 4.31 5.03 -1.26 -4.85 115.26 115.97 3blg n ASN 63 Ca 0.00 0.27 -0.02 0.00 0.87 0.00 0.00 54.58 55.70 3blg n ASN 63 Cb 0.00 -0.12 0.07 0.00 -1.02 0.00 0.00 39.78 38.71 3blg n ASN 63 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3blg n ASP 64 N -0.86 -0.63 -3.67 6.41 2.03 -1.26 -5.10 116.55 113.47 3blg n ASP 64 Ca 0.00 -2.12 -0.15 0.00 0.52 0.00 0.00 54.79 53.04 3blg n ASP 64 Cb 0.00 0.32 -0.08 0.00 -0.72 0.00 0.00 41.12 40.64 3blg n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3blg s GLU 65 N -0.65 0.77 -0.68 -0.67 -1.05 -1.26 -5.11 118.70 110.06 3blg s GLU 65 Ca 0.12 0.18 -0.26 0.00 -0.15 0.00 0.00 54.97 54.86 3blg s GLU 65 Cb 0.33 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.36 3blg s GLU 65 CO -0.09 -0.20 1.79 0.00 0.95 0.00 0.00 175.26 177.71 3blg s ALA 67 N 8.72 3.45 -0.23 0.00 0.00 0.59 -4.85 121.76 129.44 3blg s ALA 67 Ca 0.63 0.08 -0.08 0.00 0.00 0.00 0.00 51.96 52.59 3blg s ALA 67 Cb -0.11 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3blg s ALA 67 CO 0.16 0.36 0.08 -0.65 0.00 0.00 0.00 175.76 175.72 3blg s GLN 68 N -2.03 3.79 0.11 0.00 -0.21 -1.26 0.27 119.66 120.33 3blg s GLN 68 Ca 0.42 -0.42 0.10 0.00 0.02 0.00 0.00 55.36 55.48 3blg s GLN 68 Cb -0.16 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 3blg s GLN 68 CO 0.20 -0.03 -0.25 0.15 -2.12 0.00 0.00 175.29 173.24 3blg s LYS 69 N 1.21 1.56 -0.24 2.91 1.02 0.67 -4.99 119.74 121.87 3blg s LYS 69 Ca 0.05 -1.26 -0.01 0.00 0.02 0.00 0.00 55.97 54.76 3blg s LYS 69 Cb -0.14 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 3blg s LYS 69 CO 0.04 0.47 -0.07 0.21 -0.92 0.00 0.00 175.35 175.08 3blg s LYS 70 N -1.87 2.85 0.11 1.68 2.20 -1.26 -1.29 119.74 122.17 3blg s LYS 70 Ca 0.14 -0.96 0.07 0.00 -0.36 0.00 0.00 55.97 54.86 3blg s LYS 70 Cb -0.10 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 3blg s LYS 70 CO 0.06 -0.38 -0.10 0.42 -0.36 0.00 0.00 175.35 174.99 3blg s ILE 71 N 1.32 3.35 -0.06 5.43 1.01 0.22 -4.99 121.20 127.48 3blg s ILE 71 Ca 0.01 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 59.38 3blg s ILE 71 Cb -0.16 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.73 3blg s ILE 71 CO -0.05 0.09 -0.18 -0.51 0.00 0.00 0.00 174.94 174.29 3blg s ILE 72 N -1.26 1.55 -0.31 2.92 2.07 -1.26 0.16 121.20 125.06 3blg s ILE 72 Ca 0.22 -0.75 -0.07 0.00 -1.41 0.00 0.00 60.65 58.63 3blg s ILE 72 Cb -0.11 -1.35 0.02 0.00 0.13 0.00 0.00 42.46 41.15 3blg s ILE 72 CO 0.14 0.45 0.10 0.00 -1.91 0.00 0.00 174.94 173.71 3blg s ALA 73 N 0.27 3.07 0.18 1.50 0.00 0.61 -4.57 121.76 122.81 3blg s ALA 73 Ca -0.10 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 3blg s ALA 73 Cb -0.14 -2.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.68 3blg s ALA 73 CO 0.04 -1.10 0.95 -1.21 0.00 0.00 0.00 175.76 174.45 3blg s GLU 74 N 1.47 4.78 0.94 0.00 2.02 0.11 -0.44 118.70 127.58 3blg s GLU 74 Ca 0.01 1.47 -0.12 0.00 0.02 0.00 0.00 54.97 56.35 3blg s GLU 74 Cb -0.18 -3.33 0.15 0.00 0.10 0.00 0.00 34.13 30.87 3blg s GLU 74 CO 0.03 0.37 1.11 -1.59 0.02 0.00 0.00 175.26 175.19 3blg s LYS 75 N -0.59 0.92 0.00 1.61 -2.85 -1.26 -0.78 119.74 116.79 3blg s LYS 75 Ca 0.44 0.49 0.00 0.00 -1.00 0.00 0.00 55.97 55.90 3blg s LYS 75 Cb -0.25 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 3blg s LYS 75 CO 0.31 -2.39 0.00 0.25 0.10 0.00 0.00 175.35 173.62 3blg n THR 76 N -3.93 0.00 0.00 3.79 -2.24 -1.21 -4.76 114.28 105.92 3blg n THR 76 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3blg n THR 76 Cb 0.58 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.11 3blg n THR 76 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3blg h LYS 77 N 0.00 0.52 -5.43 -0.78 1.57 -1.98 -3.39 116.57 107.08 3blg h LYS 77 Ca 0.00 -0.10 -0.60 0.00 -1.87 0.00 0.00 60.65 58.07 3blg h LYS 77 Cb 0.00 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.12 3blg h LYS 77 CO 0.00 0.54 -0.21 0.42 -0.57 0.00 0.00 179.45 179.62 3blg s ILE 78 N -5.01 5.21 -0.70 1.86 1.09 -1.26 -4.98 121.20 117.41 3blg s ILE 78 Ca -0.08 0.69 0.13 0.00 -1.10 0.00 0.00 60.65 60.30 3blg s ILE 78 Cb 0.16 -3.72 0.13 0.00 -1.06 0.00 0.00 42.46 37.96 3blg s ILE 78 CO 0.76 0.27 1.40 -0.81 -0.10 0.00 0.00 174.94 176.46 3blg n PRO 79 N 4.38 0.07 0.00 2.79 -0.04 -1.26 -2.36 135.00 138.58 3blg n PRO 79 Ca -0.09 0.46 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 3blg n PRO 79 Cb 0.51 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 3blg n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3blg n ALA 80 N -1.62 3.38 -2.71 0.55 0.00 -1.26 -4.77 120.51 114.09 3blg n ALA 80 Ca 0.01 -0.57 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 3blg n ALA 80 Cb 0.09 -0.65 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 3blg n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3blg s VAL 81 N -2.15 3.87 0.03 0.00 1.01 -1.00 -1.05 120.40 121.12 3blg s VAL 81 Ca 0.15 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3blg s VAL 81 Cb 0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3blg s VAL 81 CO 0.48 0.57 -0.08 -0.36 0.00 0.00 0.00 175.10 175.72 3blg s PHE 82 N -0.50 0.68 0.03 5.22 0.40 0.62 -3.36 117.98 121.07 3blg s PHE 82 Ca 0.08 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 3blg s PHE 82 Cb -0.12 -0.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 3blg s PHE 82 CO 0.02 -0.06 0.05 0.15 0.70 0.00 0.00 175.22 176.08 3blg s LYS 83 N -1.30 2.88 -0.05 0.44 1.02 0.04 -0.01 119.74 122.76 3blg s LYS 83 Ca -0.07 -0.61 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 3blg s LYS 83 Cb -0.08 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 3blg s LYS 83 CO 0.00 0.61 -0.01 0.96 -0.92 0.00 0.00 175.35 176.00 3blg s ILE 84 N -1.21 0.31 -1.20 2.17 -4.36 0.49 -0.71 121.20 116.68 3blg s ILE 84 Ca 0.23 0.07 -0.05 0.00 -0.26 0.00 0.00 60.65 60.65 3blg s ILE 84 Cb -0.12 -0.42 0.21 0.00 1.25 0.00 0.00 42.46 43.38 3blg s ILE 84 CO 0.15 0.20 2.02 -0.67 0.24 0.00 0.00 174.94 176.88 3blg n ASP 85 N 4.52 7.13 0.00 4.36 2.03 -1.26 -4.45 116.55 128.88 3blg n ASP 85 Ca -0.18 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 51.80 3blg n ASP 85 Cb 0.50 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 3blg n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3blg n ALA 86 N 1.54 0.00 -2.26 -1.67 0.00 -1.26 -5.08 120.51 111.77 3blg n ALA 86 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 3blg n ALA 86 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 3blg n ALA 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3blg s LEU 87 N 0.00 4.28 0.00 0.00 1.98 -1.26 -4.78 118.68 118.89 3blg s LEU 87 Ca 0.00 1.99 0.00 0.00 -2.89 0.00 0.00 54.13 53.23 3blg s LEU 87 Cb 0.00 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.30 3blg s LEU 87 CO 0.00 -0.76 0.00 0.59 -1.89 0.00 0.00 176.35 174.29 3blg n ASN 88 N 6.06 0.00 -2.42 3.68 5.03 -1.26 -4.40 115.26 121.96 3blg n ASN 88 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 3blg n ASN 88 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 3blg n ASN 88 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3blg n GLU 89 N 0.00 -0.77 0.00 3.52 1.02 -1.26 -4.98 120.64 118.17 3blg n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3blg n GLU 89 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3blg n GLU 89 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3blg n ASN 90 N -2.95 0.00 -4.87 1.62 0.23 -1.06 -4.57 115.26 103.67 3blg n ASN 90 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.68 3blg n ASN 90 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 3blg n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3blg s LYS 91 N -0.53 3.57 -0.14 -3.83 1.02 -0.96 -0.38 119.74 118.48 3blg s LYS 91 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 55.97 55.98 3blg s LYS 91 Cb 0.00 -3.20 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 3blg s LYS 91 CO 0.00 0.74 -0.14 0.08 -0.92 0.00 0.00 175.35 175.11 3blg s VAL 92 N -0.99 1.56 -0.08 3.17 1.01 0.99 -1.42 120.40 124.64 3blg s VAL 92 Ca 0.17 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3blg s VAL 92 Cb -0.13 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3blg s VAL 92 CO 0.06 0.46 -0.19 -0.76 0.00 0.00 0.00 175.10 174.67 3blg s LEU 93 N 1.40 2.43 -0.36 3.92 1.02 -0.79 -0.27 118.68 126.03 3blg s LEU 93 Ca 0.03 -0.38 -0.15 0.00 0.02 0.00 0.00 54.13 53.64 3blg s LEU 93 Cb -0.13 -1.49 -0.00 0.00 0.02 0.00 0.00 46.19 44.58 3blg s LEU 93 CO -0.09 0.23 0.36 -0.69 0.02 0.00 0.00 176.35 176.19 3blg s VAL 94 N -0.08 5.17 -0.04 -1.59 1.01 -0.22 -1.81 120.40 122.84 3blg s VAL 94 Ca -0.04 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 3blg s VAL 94 Cb -0.14 -3.86 -0.27 0.00 0.00 0.00 0.00 36.38 32.11 3blg s VAL 94 CO 0.04 -0.16 0.98 -0.07 0.00 0.00 0.00 175.10 175.88 3blg h LEU 95 N 8.78 0.40 -7.38 3.92 3.38 -1.08 -1.82 115.31 121.52 3blg h LEU 95 Ca -0.29 -0.86 0.05 0.00 0.09 0.00 0.00 57.88 56.87 3blg h LEU 95 Cb 1.14 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 3blg h LEU 95 CO 0.71 1.22 0.29 -0.62 0.09 0.00 0.00 178.44 180.13 3blg s ASP 96 N -6.71 -0.40 0.00 -0.43 2.15 -1.22 -2.69 116.67 107.37 3blg s ASP 96 Ca -0.14 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.61 3blg s ASP 96 Cb 0.01 0.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 3blg s ASP 96 CO 0.80 -1.02 0.00 1.07 -0.17 0.00 0.00 175.17 175.84 3blg n THR 97 N -0.39 0.00 -0.21 1.71 5.66 -1.26 -2.33 114.28 117.46 3blg n THR 97 Ca -0.11 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 60.97 3blg n THR 97 Cb 0.62 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.61 3blg n THR 97 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3blg n ASP 98 N 0.00 3.24 0.00 1.09 5.75 -1.23 -5.00 116.55 120.40 3blg n ASP 98 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3blg n ASP 98 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 3blg n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3blg n TYR 99 N 0.90 0.00 -0.01 2.11 4.01 -1.26 -4.50 117.16 118.41 3blg n TYR 99 Ca 0.16 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.94 3blg n TYR 99 Cb 0.49 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.39 3blg n TYR 99 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3blg n LYS 100 N 0.00 0.65 0.02 -0.72 2.85 -1.26 -4.83 118.16 114.87 3blg n LYS 100 Ca 0.00 -0.04 -0.02 0.00 -1.05 0.00 0.00 58.31 57.20 3blg n LYS 100 Cb 0.00 -1.61 -0.01 0.00 -0.65 0.00 0.00 35.03 32.76 3blg n LYS 100 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3blg n LYS 101 N -2.53 0.10 -4.48 -1.58 5.02 -1.26 -4.65 118.16 108.78 3blg n LYS 101 Ca -0.11 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 55.99 3blg n LYS 101 Cb 0.74 -0.68 -0.10 0.00 -0.02 0.00 0.00 35.03 34.98 3blg n LYS 101 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3blg s TYR 102 N -2.17 1.87 -0.28 2.13 1.13 -1.26 -0.22 117.35 118.56 3blg s TYR 102 Ca -0.06 -1.09 -0.16 0.00 -1.41 0.00 0.00 57.07 54.36 3blg s TYR 102 Cb 0.01 -1.23 0.09 0.00 -1.10 0.00 0.00 41.96 39.72 3blg s TYR 102 CO 0.08 -0.11 0.70 -1.17 -2.51 0.00 0.00 175.55 172.54 3blg s LEU 103 N -3.54 -0.93 -0.14 -3.49 0.20 0.70 -3.48 118.68 108.00 3blg s LEU 103 Ca 0.31 1.48 0.02 0.00 0.69 0.00 0.00 54.13 56.63 3blg s LEU 103 Cb 0.06 2.35 0.01 0.00 -0.43 0.00 0.00 46.19 48.18 3blg s LEU 103 CO 0.14 -0.23 -0.21 -0.76 -0.29 0.00 0.00 176.35 175.00 3blg s LEU 104 N 1.67 2.14 0.24 -0.68 1.43 -0.98 0.78 118.68 123.28 3blg s LEU 104 Ca -0.10 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3blg s LEU 104 Cb -0.05 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3blg s LEU 104 CO -0.20 0.08 0.05 0.72 0.23 0.00 0.00 176.35 177.24 3blg s PHE 105 N 0.80 1.52 -0.14 0.29 -0.12 -1.06 -0.69 117.98 118.59 3blg s PHE 105 Ca -0.07 -1.07 -0.08 0.00 -0.05 0.00 0.00 56.93 55.66 3blg s PHE 105 Cb -0.16 -0.89 0.05 0.00 -0.63 0.00 0.00 43.02 41.39 3blg s PHE 105 CO -0.01 -0.21 0.33 0.00 -0.05 0.00 0.00 175.22 175.27 3blg s MET 107 N 1.20 3.73 -0.08 0.00 -1.94 0.68 -1.88 119.30 121.00 3blg s MET 107 Ca -0.08 0.12 -0.07 0.00 -1.71 0.00 0.00 55.69 53.94 3blg s MET 107 Cb -0.09 -2.80 0.02 0.00 2.01 0.00 0.00 34.83 33.97 3blg s MET 107 CO -0.09 0.43 0.20 -2.00 -0.01 0.00 0.00 175.02 173.55 3blg s GLU 108 N -2.56 0.24 0.02 2.03 2.12 -0.51 -2.36 118.70 117.67 3blg s GLU 108 Ca 0.42 0.29 -0.18 0.00 0.36 0.00 0.00 54.97 55.86 3blg s GLU 108 Cb -0.12 0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.32 3blg s GLU 108 CO 0.22 -0.03 0.50 1.21 -0.54 0.00 0.00 175.26 176.62 3blg s ASN 109 N 0.12 6.92 0.03 -1.70 3.84 -0.98 -2.26 114.94 120.91 3blg s ASN 109 Ca -0.00 1.09 -0.27 0.00 0.21 0.00 0.00 52.86 53.89 3blg s ASN 109 Cb -0.02 -2.31 -0.17 0.00 -0.55 0.00 0.00 41.25 38.20 3blg s ASN 109 CO 0.00 0.24 1.35 0.28 -2.79 0.00 0.00 177.10 176.19 3blg h SER 110 N 4.96 -0.51 0.05 -4.21 0.02 -1.93 -2.43 113.55 109.50 3blg h SER 110 Ca -0.49 -0.08 -0.23 0.00 -0.84 0.00 0.00 61.79 60.15 3blg h SER 110 Cb 1.21 0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.90 3blg h SER 110 CO 0.65 -0.20 -0.92 0.00 -1.14 0.00 0.00 176.83 175.22 3blg h ALA 111 N -0.38 0.05 -2.20 3.77 0.00 -1.99 -3.37 119.26 115.13 3blg h ALA 111 Ca -0.06 -0.67 -0.61 0.00 0.00 0.00 0.00 54.91 53.57 3blg h ALA 111 Cb 0.56 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.00 3blg h ALA 111 CO 0.10 0.53 -0.53 -0.85 0.00 0.00 0.00 179.25 178.50 3blg n GLU 112 N -4.00 2.97 -0.10 0.00 0.28 -1.26 -4.91 120.64 113.62 3blg n GLU 112 Ca -0.12 -4.76 -0.10 0.00 -0.16 0.00 0.00 57.16 52.02 3blg n GLU 112 Cb 0.83 -2.26 -0.03 0.00 1.43 0.00 0.00 31.44 31.41 3blg n GLU 112 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3blg h PRO 113 N 3.69 0.50 0.00 3.44 0.13 -1.61 -1.13 132.00 137.02 3blg h PRO 113 Ca 0.18 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 3blg h PRO 113 Cb 0.58 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3blg h PRO 113 CO 0.85 0.59 -0.17 0.93 -0.23 0.00 0.00 178.00 179.98 3blg h GLU 114 N 0.33 0.00 -0.04 0.86 4.39 -1.91 0.61 114.58 118.83 3blg h GLU 114 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3blg h GLU 114 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3blg h GLU 114 CO 0.00 0.17 0.00 1.04 -1.16 0.00 0.00 179.01 179.06 3blg n GLN 115 N -4.20 1.58 -2.89 2.33 3.00 -0.97 -4.43 117.38 111.79 3blg n GLN 115 Ca -0.02 -0.84 -0.13 0.00 -0.01 0.00 0.00 57.00 56.00 3blg n GLN 115 Cb 0.24 -1.47 0.02 0.00 0.00 0.00 0.00 30.24 29.04 3blg n GLN 115 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3blg n SER 116 N 0.03 -1.77 -3.97 1.08 7.64 0.17 -4.89 113.62 111.91 3blg n SER 116 Ca 0.19 -3.20 -0.29 0.00 1.01 0.00 0.00 58.87 56.58 3blg n SER 116 Cb 0.31 1.05 -0.16 0.00 -1.01 0.00 0.00 64.21 64.40 3blg n SER 116 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3blg s LEU 117 N -1.21 1.72 -0.01 -3.43 2.96 -0.98 -2.32 118.68 115.41 3blg s LEU 117 Ca 0.32 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3blg s LEU 117 Cb 0.23 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 3blg s LEU 117 CO -0.17 -0.11 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.90 3blg s VAL 118 N 1.53 1.26 0.05 1.68 1.01 -1.00 -1.51 120.40 123.42 3blg s VAL 118 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3blg s VAL 118 Cb -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3blg s VAL 118 CO -0.09 0.34 -0.07 0.00 0.00 0.00 0.00 175.10 175.28 3blg s GLN 120 N -1.97 0.69 -0.33 0.00 -0.21 -0.53 -0.52 119.66 116.80 3blg s GLN 120 Ca -0.07 -1.25 0.02 0.00 0.02 0.00 0.00 55.36 54.07 3blg s GLN 120 Cb -0.07 0.05 0.09 0.00 1.00 0.00 0.00 33.01 34.08 3blg s GLN 120 CO -0.01 -0.07 0.03 0.00 -2.12 0.00 0.00 175.29 173.11 3blg s LEU 122 N 1.03 4.40 0.14 0.00 1.43 0.23 -1.46 118.68 124.46 3blg s LEU 122 Ca 0.03 0.94 0.09 0.00 -1.03 0.00 0.00 54.13 54.16 3blg s LEU 122 Cb -0.20 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 3blg s LEU 122 CO -0.06 0.18 -0.20 0.68 0.23 0.00 0.00 176.35 177.18 3blg s VAL 123 N -0.35 1.84 0.22 -1.59 -7.23 -0.04 -0.22 120.40 113.04 3blg s VAL 123 Ca 0.25 -1.77 0.08 0.00 -1.81 0.00 0.00 61.98 58.72 3blg s VAL 123 Cb -0.16 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 3blg s VAL 123 CO 0.13 -0.18 1.50 0.03 -0.31 0.00 0.00 175.10 176.27 3blg h ARG 124 N 3.60 0.06 -6.10 4.82 2.47 -0.86 0.18 114.38 118.55 3blg h ARG 124 Ca -0.44 -0.06 -0.55 0.00 -1.26 0.00 0.00 59.98 57.67 3blg h ARG 124 Cb 1.19 0.01 -0.19 0.00 -1.65 0.00 0.00 29.97 29.34 3blg h ARG 124 CO 0.46 0.76 -0.80 0.95 0.56 0.00 0.00 179.97 181.90 3blg s THR 125 N -3.40 1.85 -1.06 2.04 -4.23 -1.26 -4.78 115.64 104.81 3blg s THR 125 Ca -0.01 -1.81 -0.18 0.00 -1.18 0.00 0.00 61.69 58.50 3blg s THR 125 Cb 0.12 -1.79 -0.08 0.00 1.34 0.00 0.00 72.50 72.09 3blg s THR 125 CO 0.79 -0.21 2.07 -0.81 -0.54 0.00 0.00 174.62 175.92 3blg n PRO 126 N 0.55 2.08 -3.96 3.99 -0.04 -1.26 -4.80 135.00 131.56 3blg n PRO 126 Ca -0.15 -2.13 -0.10 0.00 -0.04 0.00 0.00 63.50 61.09 3blg n PRO 126 Cb 0.56 -3.04 -0.11 0.00 -0.04 0.00 0.00 33.50 30.86 3blg n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3blg s GLU 127 N 4.19 0.26 -0.57 0.54 2.02 -1.26 -4.73 118.70 119.16 3blg s GLU 127 Ca 0.53 -0.49 -0.28 0.00 0.02 0.00 0.00 54.97 54.75 3blg s GLU 127 Cb 0.14 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.50 3blg s GLU 127 CO 0.03 -0.04 1.15 0.08 0.02 0.00 0.00 175.26 176.50 3blg s VAL 128 N -1.20 4.09 -0.46 2.63 1.01 -1.26 -4.98 120.40 120.23 3blg s VAL 128 Ca -0.13 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 3blg s VAL 128 Cb -0.08 -4.69 0.04 0.00 0.00 0.00 0.00 36.38 31.65 3blg s VAL 128 CO -0.01 -1.27 0.55 -0.62 0.00 0.00 0.00 175.10 173.75 3blg s ASP 129 N 2.89 6.24 0.25 3.32 -1.08 -1.26 -4.97 116.67 122.05 3blg s ASP 129 Ca 0.42 -0.69 -0.05 0.00 -0.52 0.00 0.00 52.55 51.70 3blg s ASP 129 Cb -0.08 -2.27 0.27 0.00 -1.46 0.00 0.00 42.92 39.38 3blg s ASP 129 CO 0.25 -0.74 1.82 0.44 0.52 0.00 0.00 175.17 177.47 3blg h ASP 130 N 8.86 0.99 0.06 -0.34 3.32 -1.99 -2.23 116.42 125.09 3blg h ASP 130 Ca -0.27 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.56 3blg h ASP 130 Cb 1.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3blg h ASP 130 CO 0.88 0.87 -0.28 -0.33 -1.72 0.00 0.00 179.24 178.66 3blg h GLU 131 N 1.06 0.34 -0.17 3.56 5.08 -1.99 -1.78 114.58 120.69 3blg h GLU 131 Ca 0.25 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 3blg h GLU 131 Cb 0.18 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.42 3blg h GLU 131 CO -0.02 0.60 -0.77 0.00 -1.00 0.00 0.00 179.01 177.82 3blg h ALA 132 N 1.40 0.32 0.00 3.43 0.00 -1.93 -2.34 119.26 120.14 3blg h ALA 132 Ca 0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3blg h ALA 132 Cb 0.66 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3blg h ALA 132 CO 0.05 0.68 -0.23 -0.07 0.00 0.00 0.00 179.25 179.68 3blg h LEU 133 N 0.56 0.00 0.10 0.00 3.38 -1.28 -0.72 115.31 117.35 3blg h LEU 133 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3blg h LEU 133 Cb 1.40 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.16 3blg h LEU 133 CO 0.16 0.23 -0.62 -0.08 0.09 0.00 0.00 178.44 178.21 3blg h GLU 134 N 0.00 0.25 -0.12 1.13 4.81 -1.28 -2.02 114.58 117.35 3blg h GLU 134 Ca -0.00 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3blg h GLU 134 Cb 0.65 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3blg h GLU 134 CO 0.03 1.18 -0.13 0.87 -0.73 0.00 0.00 179.01 180.23 3blg h LYS 135 N -0.48 0.19 0.32 1.92 1.57 -1.29 -0.36 116.57 118.45 3blg h LYS 135 Ca -0.11 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3blg h LYS 135 Cb 1.48 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3blg h LYS 135 CO 0.12 0.32 -0.16 0.35 -0.57 0.00 0.00 179.45 179.51 3blg h PHE 136 N 0.18 -0.40 -0.87 -1.35 3.57 -1.17 -2.05 116.94 114.84 3blg h PHE 136 Ca 0.04 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.70 3blg h PHE 136 Cb 0.34 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 3blg h PHE 136 CO 0.00 -0.06 0.57 -0.44 -2.23 0.00 0.00 178.31 176.15 3blg h ASP 137 N -0.87 0.52 0.84 0.41 3.32 -1.12 -2.14 116.42 117.39 3blg h ASP 137 Ca -0.04 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3blg h ASP 137 Cb 0.52 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.02 3blg h ASP 137 CO 0.07 0.24 -0.41 0.11 -1.72 0.00 0.00 179.24 177.54 3blg h LYS 138 N 0.54 -1.09 0.00 3.56 1.57 -0.98 -2.13 116.57 118.04 3blg h LYS 138 Ca 0.45 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3blg h LYS 138 Cb 0.91 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3blg h LYS 138 CO -0.19 -0.73 0.02 0.00 -0.57 0.00 0.00 179.45 177.99 3blg n ALA 139 N -2.62 0.97 0.89 3.86 0.00 -0.78 -1.45 120.51 121.38 3blg n ALA 139 Ca -0.14 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.45 3blg n ALA 139 Cb 0.45 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 3blg n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3blg n LEU 140 N -1.70 0.96 -0.28 0.00 4.32 -0.86 -4.43 117.00 115.01 3blg n LEU 140 Ca -0.00 -0.52 0.06 0.00 -0.02 0.00 0.00 56.01 55.53 3blg n LEU 140 Cb 0.03 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.12 3blg n LEU 140 CO 0.03 0.23 1.24 0.11 -1.22 0.00 0.00 177.39 177.77 3blg h LYS 141 N 0.17 0.87 -0.00 3.23 1.57 -0.58 -2.11 116.57 119.71 3blg h LYS 141 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3blg h LYS 141 Cb 0.46 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3blg h LYS 141 CO 0.00 0.58 -0.20 0.00 -0.57 0.00 0.00 179.45 179.25 3blg n ALA 142 N -2.41 2.93 -2.79 3.86 0.00 -1.26 -4.91 120.51 115.94 3blg n ALA 142 Ca 0.14 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 3blg n ALA 142 Cb 0.27 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 3blg n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3blg s LEU 143 N -2.63 4.26 -1.41 0.00 1.43 -0.80 -5.01 118.68 114.52 3blg s LEU 143 Ca 0.23 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 3blg s LEU 143 Cb 0.19 -3.15 0.07 0.00 0.03 0.00 0.00 46.19 43.34 3blg s LEU 143 CO 0.53 0.02 2.13 -0.81 0.23 0.00 0.00 176.35 178.45 3blg n PRO 144 N -0.36 3.05 -3.56 1.29 -0.04 -1.26 -4.97 135.00 129.15 3blg n PRO 144 Ca -0.04 -2.84 -0.34 0.00 -0.04 0.00 0.00 63.50 60.23 3blg n PRO 144 Cb 0.53 -3.20 -0.05 0.00 -0.04 0.00 0.00 33.50 30.73 3blg n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3blg s MET 145 N 2.52 3.76 0.00 0.54 -1.94 -1.26 -4.14 119.30 118.77 3blg s MET 145 Ca 0.45 0.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 3blg s MET 145 Cb 0.13 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 34.02 3blg s MET 145 CO -0.06 0.53 0.07 0.72 -0.01 0.00 0.00 175.02 176.27 3blg n HIS 146 N 0.73 0.00 -3.82 -0.03 8.25 0.70 -4.92 115.22 116.13 3blg n HIS 146 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 3blg n HIS 146 Cb 0.52 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 3blg n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3blg s ILE 147 N -0.62 0.01 -0.07 1.59 2.07 -1.13 -4.74 121.20 118.31 3blg s ILE 147 Ca 0.00 -0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 3blg s ILE 147 Cb 0.00 -0.29 0.04 0.00 0.13 0.00 0.00 42.46 42.35 3blg s ILE 147 CO 0.00 -0.05 0.14 -0.60 -1.91 0.00 0.00 174.94 172.52 3blg s ARG 148 N -0.11 0.02 0.12 3.50 3.52 -1.26 -2.16 118.95 122.58 3blg s ARG 148 Ca -0.02 0.51 0.08 0.00 -0.13 0.00 0.00 55.73 56.16 3blg s ARG 148 Cb -0.02 -0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.03 3blg s ARG 148 CO 0.00 -0.30 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.59 3blg s LEU 149 N 2.15 3.01 0.02 -0.88 1.43 0.11 -4.99 118.68 119.51 3blg s LEU 149 Ca 0.02 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3blg s LEU 149 Cb -0.12 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3blg s LEU 149 CO -0.05 0.16 -0.00 -0.55 0.23 0.00 0.00 176.35 176.14 3blg s SER 150 N -2.31 0.19 0.18 2.29 0.15 -1.26 -1.67 113.70 111.26 3blg s SER 150 Ca 0.22 -0.41 0.11 0.00 0.70 0.00 0.00 55.95 56.57 3blg s SER 150 Cb -0.11 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 3blg s SER 150 CO 0.14 -0.28 -0.24 -0.36 1.20 0.00 0.00 173.24 173.70 3blg s PHE 151 N -1.31 2.23 0.34 3.44 0.08 -0.45 -5.00 117.98 117.31 3blg s PHE 151 Ca -0.14 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.57 3blg s PHE 151 Cb -0.09 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.22 3blg s PHE 151 CO -0.01 0.45 0.50 0.54 -0.10 0.00 0.00 175.22 176.60 3blg s ASN 152 N -2.54 6.09 0.21 1.36 6.03 -1.26 -4.93 114.94 119.89 3blg s ASN 152 Ca 0.19 0.08 -0.14 0.00 -1.03 0.00 0.00 52.86 51.96 3blg s ASN 152 Cb -0.08 -1.59 0.23 0.00 -3.03 0.00 0.00 41.25 36.78 3blg s ASN 152 CO 0.09 -0.37 1.62 -0.65 -2.03 0.00 0.00 177.10 175.76 3blg h PRO 153 N 0.84 -0.02 -0.80 3.55 0.11 -1.94 -0.12 132.00 133.61 3blg h PRO 153 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3blg h PRO 153 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3blg h PRO 153 CO 0.57 -0.01 0.48 1.79 -0.21 0.00 0.00 178.00 180.62 3blg h THR 154 N -0.02 1.23 -0.46 -1.15 1.35 -1.96 -1.46 112.91 110.44 3blg h THR 154 Ca 0.30 -0.51 -0.11 0.00 -0.55 0.00 0.00 66.41 65.54 3blg h THR 154 Cb 0.48 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 3blg h THR 154 CO -0.66 0.24 -0.14 1.56 -0.25 0.00 0.00 175.52 176.27 3blg h GLN 155 N 1.11 0.87 -0.31 4.72 4.20 -1.45 -2.89 115.11 121.35 3blg h GLN 155 Ca 0.29 -0.32 0.06 0.00 0.06 0.00 0.00 58.65 58.74 3blg h GLN 155 Cb -0.03 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3blg h GLN 155 CO -0.05 0.95 0.22 -0.07 -0.67 0.00 0.00 178.83 179.21 3blg h LEU 156 N 0.77 0.13 -0.25 1.46 3.38 0.02 -1.95 115.31 118.87 3blg h LEU 156 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3blg h LEU 156 Cb 0.66 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3blg h LEU 156 CO 0.05 0.08 -0.12 -0.62 0.09 0.00 0.00 178.44 177.92 3blg n GLU 157 N -4.47 0.69 -3.47 1.13 -0.58 -1.09 -4.85 120.64 108.00 3blg n GLU 157 Ca 0.04 -0.25 -0.35 0.00 -0.42 0.00 0.00 57.16 56.18 3blg n GLU 157 Cb 0.29 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 3blg n GLU 157 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3blg s GLU 158 N -2.48 3.87 0.20 3.49 8.01 -0.73 -5.02 118.70 126.04 3blg s GLU 158 Ca 0.28 0.33 -0.31 0.00 0.01 0.00 0.00 54.97 55.29 3blg s GLU 158 Cb 0.20 -2.97 -0.10 0.00 -4.31 0.00 0.00 34.13 26.95 3blg s GLU 158 CO 0.48 0.52 1.47 -0.65 0.01 0.00 0.00 175.26 177.09 3blg s GLN 159 N -1.92 4.26 -1.06 1.61 -0.21 -1.26 -1.32 119.66 119.75 3blg s GLN 159 Ca 0.35 2.28 0.00 0.00 0.02 0.00 0.00 55.36 58.01 3blg s GLN 159 Cb -0.14 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.72 3blg s GLN 159 CO 0.18 -0.48 0.00 0.00 -2.12 0.00 0.00 175.29 172.88 3blg n HIS 161 N -2.40 -1.94 1.85 0.00 8.25 -0.44 -5.03 115.22 115.51 3blg n HIS 161 Ca -0.10 0.77 0.15 0.00 -0.26 0.00 0.00 57.72 58.29 3blg n HIS 161 Cb 0.48 -4.18 0.82 0.00 1.12 0.00 0.00 29.99 28.24 3blg n HIS 161 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09