#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5u s VAL 2 N 0.00 4.43 0.54 3.15 1.01 -1.26 -1.33 120.40 126.94 1b5u s VAL 2 Ca 0.00 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1b5u s VAL 2 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1b5u s VAL 2 CO 0.00 -0.34 1.11 -0.36 0.00 0.00 0.00 175.10 175.51 1b5u s PHE 3 N 1.50 2.74 0.29 5.22 0.40 -0.29 -5.00 117.98 122.84 1b5u s PHE 3 Ca 0.02 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.79 1b5u s PHE 3 Cb -0.21 -3.23 -0.07 0.00 0.51 0.00 0.00 43.02 40.02 1b5u s PHE 3 CO 0.05 -1.43 0.64 -1.21 0.70 0.00 0.00 175.22 173.97 1b5u s GLU 4 N -3.36 3.84 0.08 0.44 0.41 -1.26 -4.87 118.70 113.98 1b5u s GLU 4 Ca 0.71 0.39 -0.21 0.00 -0.41 0.00 0.00 54.97 55.45 1b5u s GLU 4 Cb -0.22 -2.54 -0.07 0.00 -1.78 0.00 0.00 34.13 29.51 1b5u s GLU 4 CO 0.27 0.20 1.34 -0.09 -0.49 0.00 0.00 175.26 176.50 1b5u h ARG 5 N 2.16 -0.28 0.00 1.61 2.43 -1.96 -1.72 114.38 116.62 1b5u h ARG 5 Ca -0.47 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1b5u h ARG 5 Cb 1.18 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1b5u h ARG 5 CO 0.67 -0.19 -0.27 0.00 -1.51 0.00 0.00 179.97 178.67 1b5u h GLU 7 N 0.00 0.37 -0.74 0.00 4.81 -1.87 -1.58 114.58 115.58 1b5u h GLU 7 Ca -0.00 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1b5u h GLU 7 Cb 0.52 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1b5u h GLU 7 CO 0.03 0.44 0.21 1.25 -0.73 0.00 0.00 179.01 180.22 1b5u h LEU 8 N 0.23 1.09 -0.48 1.64 5.85 -0.76 -1.75 115.31 121.13 1b5u h LEU 8 Ca 0.08 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1b5u h LEU 8 Cb 0.22 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1b5u h LEU 8 CO -0.00 1.02 0.30 0.00 -0.34 0.00 0.00 178.44 179.41 1b5u h ALA 9 N 1.11 0.61 -0.35 1.25 0.00 -1.09 0.34 119.26 121.14 1b5u h ALA 9 Ca 0.24 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1b5u h ALA 9 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1b5u h ALA 9 CO -0.00 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 179.06 1b5u h ARG 10 N 0.60 0.66 -0.33 0.00 3.08 -1.09 -2.06 114.38 115.24 1b5u h ARG 10 Ca 0.19 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1b5u h ARG 10 Cb -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1b5u h ARG 10 CO -0.07 0.81 0.04 1.15 -1.07 0.00 0.00 179.97 180.83 1b5u h THR 11 N 0.58 1.24 -0.62 2.04 2.02 -0.69 -1.88 112.91 115.60 1b5u h THR 11 Ca 0.09 -0.85 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 1b5u h THR 11 Cb 0.66 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1b5u h THR 11 CO 0.05 0.28 0.09 -0.07 0.37 0.00 0.00 175.52 176.23 1b5u h LEU 12 N 0.38 0.98 -0.67 2.58 3.38 -0.85 -1.92 115.31 119.19 1b5u h LEU 12 Ca 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1b5u h LEU 12 Cb 0.37 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1b5u h LEU 12 CO 0.01 0.99 0.29 0.50 0.09 0.00 0.00 178.44 180.31 1b5u h LYS 13 N 0.96 0.98 0.00 1.13 3.64 -1.18 -2.06 116.57 120.04 1b5u h LYS 13 Ca 0.19 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1b5u h LYS 13 Cb 0.43 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1b5u h LYS 13 CO 0.01 0.80 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.68 1b5u h ARG 14 N 0.93 0.00 -0.11 1.90 2.43 -0.98 -1.74 114.38 116.80 1b5u h ARG 14 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1b5u h ARG 14 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1b5u h ARG 14 CO -0.02 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 1b5u n LEU 15 N -4.11 1.04 -0.03 3.80 4.77 -0.75 -4.92 117.00 116.80 1b5u n LEU 15 Ca -0.02 -0.45 -0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1b5u n LEU 15 Cb 0.29 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1b5u n LEU 15 CO 0.36 0.22 -0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1b5u n GLY 16 N 0.98 0.36 0.11 -0.72 0.00 -0.66 -4.96 105.19 100.31 1b5u n GLY 16 Ca 0.14 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1b5u n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b5u h MET 17 N 0.00 0.00 -6.29 1.61 2.86 -1.57 -3.40 114.93 108.14 1b5u h MET 17 Ca -0.01 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.07 1b5u h MET 17 Cb 0.97 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 1b5u h MET 17 CO 0.01 0.00 1.24 0.34 1.06 0.00 0.00 176.91 179.55 1b5u s ASP 18 N -5.07 5.90 0.00 1.22 2.15 -1.26 -2.33 116.67 117.29 1b5u s ASP 18 Ca 0.03 1.00 0.00 0.00 0.43 0.00 0.00 52.55 54.01 1b5u s ASP 18 Cb 0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1b5u s ASP 18 CO 0.75 -1.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.61 1b5u n GLY 19 N 5.38 0.71 3.67 2.66 0.00 0.01 -4.89 105.19 112.74 1b5u n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1b5u n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b5u n TYR 20 N -2.48 2.55 -3.81 1.61 9.36 -0.98 -1.30 117.16 122.10 1b5u n TYR 20 Ca 0.00 -0.29 -0.30 0.00 3.32 0.00 0.00 57.90 60.63 1b5u n TYR 20 Cb 0.00 -2.78 0.01 0.00 -0.63 0.00 0.00 39.34 35.94 1b5u n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1b5u n ARG 21 N 6.89 -4.62 -1.01 2.98 5.12 -1.26 -1.16 116.66 123.60 1b5u n ARG 21 Ca 0.19 0.55 -0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1b5u n ARG 21 Cb 0.39 -5.37 -0.00 0.00 -1.16 0.00 0.00 32.46 26.32 1b5u n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b5u n GLY 22 N -1.52 0.45 3.48 -0.13 0.00 -0.42 -5.02 105.19 102.04 1b5u n GLY 22 Ca 0.03 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1b5u n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b5u s ILE 23 N -1.89 5.18 0.57 -0.61 1.01 -0.31 -4.91 121.20 120.24 1b5u s ILE 23 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 1b5u s ILE 23 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1b5u s ILE 23 CO 0.00 -0.16 1.27 0.00 0.00 0.00 0.00 174.94 176.05 1b5u s ALA 24 N 1.68 2.66 0.27 9.38 0.00 -1.26 -0.81 121.76 133.68 1b5u s ALA 24 Ca 0.05 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 1b5u s ALA 24 Cb -0.18 -3.50 0.59 0.00 0.00 0.00 0.00 23.12 20.02 1b5u s ALA 24 CO 0.10 -1.25 1.72 1.25 0.00 0.00 0.00 175.76 177.57 1b5u h LEU 25 N 1.16 0.32 -2.09 0.00 5.85 -1.90 -0.14 115.31 118.51 1b5u h LEU 25 Ca -0.51 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1b5u h LEU 25 Cb 1.30 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1b5u h LEU 25 CO 0.56 0.07 0.21 0.00 -0.34 0.00 0.00 178.44 178.95 1b5u h ALA 26 N 1.62 2.09 -0.13 1.25 0.00 -1.91 -1.03 119.26 121.16 1b5u h ALA 26 Ca 0.49 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.20 1b5u h ALA 26 Cb 0.82 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1b5u h ALA 26 CO -0.46 -0.35 -0.68 -0.91 0.00 0.00 0.00 179.25 176.86 1b5u h ASN 27 N 0.00 0.63 -0.09 0.00 2.35 -1.35 -1.28 115.58 115.85 1b5u h ASN 27 Ca 0.12 -0.39 -0.13 0.00 -0.55 0.00 0.00 56.30 55.35 1b5u h ASN 27 Cb 0.55 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1b5u h ASN 27 CO -0.00 1.13 -0.38 -0.50 -1.65 0.00 0.00 177.43 176.03 1b5u h TRP 28 N 0.39 0.71 -0.28 1.19 4.06 -1.22 -1.00 115.95 119.81 1b5u h TRP 28 Ca -0.02 -0.20 -0.04 0.00 2.06 0.00 0.00 58.89 60.68 1b5u h TRP 28 Cb 1.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.25 1b5u h TRP 28 CO 0.05 0.90 0.00 0.52 -3.56 0.00 0.00 178.44 176.35 1b5u h MET 29 N 0.50 0.49 -0.91 0.49 2.86 -1.24 -1.34 114.93 115.78 1b5u h MET 29 Ca 0.05 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1b5u h MET 29 Cb 0.89 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1b5u h MET 29 CO 0.08 0.64 0.54 0.00 1.06 0.00 0.00 176.91 179.23 1b5u h LEU 31 N 1.25 0.02 -1.05 0.00 5.85 -1.04 -2.23 115.31 118.12 1b5u h LEU 31 Ca 0.33 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1b5u h LEU 31 Cb -0.04 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1b5u h LEU 31 CO -0.06 0.17 0.20 0.00 -0.34 0.00 0.00 178.44 178.41 1b5u h ALA 32 N 0.86 1.24 -0.32 1.25 0.00 -1.05 -0.39 119.26 120.85 1b5u h ALA 32 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1b5u h ALA 32 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1b5u h ALA 32 CO -0.00 0.54 0.15 -0.22 0.00 0.00 0.00 179.25 179.72 1b5u h LYS 33 N 0.86 0.47 0.00 0.00 1.63 -0.96 -2.11 116.57 116.45 1b5u h LYS 33 Ca 0.20 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.76 1b5u h LYS 33 Cb 0.22 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1b5u h LYS 33 CO -0.01 0.44 -0.86 -1.49 -3.45 0.00 0.00 179.45 174.08 1b5u h TRP 34 N 0.38 0.00 0.05 1.91 4.06 -1.24 -1.46 115.95 119.64 1b5u h TRP 34 Ca 0.11 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.88 1b5u h TRP 34 Cb 0.14 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.31 1b5u h TRP 34 CO -0.01 0.76 -0.72 0.93 -3.56 0.00 0.00 178.44 175.83 1b5u h GLU 35 N 0.00 0.40 0.00 0.49 4.39 -1.07 -3.42 114.58 115.38 1b5u h GLU 35 Ca -0.04 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1b5u h GLU 35 Cb 1.61 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 1b5u h GLU 35 CO 0.09 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 1b5u n SER 36 N -4.15 0.14 -1.63 1.42 3.41 -0.85 -4.86 113.62 107.11 1b5u n SER 36 Ca -0.12 -0.65 -0.12 0.00 -0.26 0.00 0.00 58.87 57.72 1b5u n SER 36 Cb 0.75 0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1b5u n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b5u n GLY 37 N 0.09 -0.04 2.38 5.00 0.00 -0.55 -2.88 105.19 109.19 1b5u n GLY 37 Ca 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1b5u n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b5u n TYR 38 N -3.97 -0.90 -3.76 1.61 4.01 -1.12 -4.79 117.16 108.23 1b5u n TYR 38 Ca -0.09 0.04 -0.37 0.00 -0.16 0.00 0.00 57.90 57.32 1b5u n TYR 38 Cb 0.58 -3.51 -0.13 0.00 -0.31 0.00 0.00 39.34 35.98 1b5u n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1b5u s ASN 39 N -2.28 5.10 0.42 7.72 2.47 -1.14 -1.13 114.94 126.10 1b5u s ASN 39 Ca 0.03 -0.48 0.28 0.00 0.42 0.00 0.00 52.86 53.11 1b5u s ASN 39 Cb -0.01 -1.90 1.01 0.00 -1.45 0.00 0.00 41.25 38.90 1b5u s ASN 39 CO 0.03 -0.12 1.82 0.71 -3.72 0.00 0.00 177.10 175.82 1b5u h THR 40 N 5.71 0.00 -0.44 -5.21 1.35 -1.53 -3.11 112.91 109.67 1b5u h THR 40 Ca -0.35 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1b5u h THR 40 Cb 1.15 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1b5u h THR 40 CO 0.60 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.76 1b5u n ARG 41 N -2.79 2.43 -1.88 4.72 -4.01 -1.26 -4.14 116.66 109.73 1b5u n ARG 41 Ca 0.02 -2.18 -0.42 0.00 -1.04 0.00 0.00 57.85 54.24 1b5u n ARG 41 Cb 0.35 -1.50 -0.02 0.00 -3.04 0.00 0.00 32.46 28.24 1b5u n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b5u s ALA 42 N -1.43 3.73 0.02 2.89 0.00 -1.18 -4.80 121.76 120.99 1b5u s ALA 42 Ca 0.40 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.82 1b5u s ALA 42 Cb 0.22 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1b5u s ALA 42 CO 0.31 -0.87 -0.04 0.95 0.00 0.00 0.00 175.76 176.11 1b5u s THR 43 N 0.28 0.26 -0.17 0.00 -4.23 -1.26 -0.59 115.64 109.92 1b5u s THR 43 Ca 0.64 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1b5u s THR 43 Cb -0.45 -0.35 0.08 0.00 1.34 0.00 0.00 72.50 73.12 1b5u s THR 43 CO 0.42 -0.37 0.28 0.21 -0.54 0.00 0.00 174.62 174.63 1b5u s ASN 44 N -1.26 0.55 0.08 3.99 2.47 -0.71 -4.98 114.94 115.09 1b5u s ASN 44 Ca -0.11 0.36 -0.26 0.00 0.42 0.00 0.00 52.86 53.27 1b5u s ASN 44 Cb -0.08 0.73 -0.06 0.00 -1.45 0.00 0.00 41.25 40.39 1b5u s ASN 44 CO -0.00 -0.27 0.79 -0.47 -3.72 0.00 0.00 177.10 173.42 1b5u s TYR 45 N 2.43 3.79 -0.64 0.43 5.04 -1.26 -0.69 117.35 126.44 1b5u s TYR 45 Ca 0.04 1.55 -0.08 0.00 -2.44 0.00 0.00 57.07 56.14 1b5u s TYR 45 Cb -0.13 -2.83 0.17 0.00 0.35 0.00 0.00 41.96 39.51 1b5u s TYR 45 CO -0.11 0.32 0.51 -0.80 -1.34 0.00 0.00 175.55 174.14 1b5u s ASN 46 N -0.31 5.84 0.46 4.32 0.01 0.40 -4.93 114.94 120.73 1b5u s ASN 46 Ca 0.39 -2.54 0.21 0.00 -0.71 0.00 0.00 52.86 50.21 1b5u s ASN 46 Cb -0.21 -2.01 1.20 0.00 0.41 0.00 0.00 41.25 40.64 1b5u s ASN 46 CO 0.24 -0.52 1.91 0.00 -1.51 0.00 0.00 177.10 177.22 1b5u h ALA 47 N 7.67 2.34 -0.93 0.60 0.00 -1.96 0.19 119.26 127.18 1b5u h ALA 47 Ca -0.03 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1b5u h ALA 47 Cb 1.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1b5u h ALA 47 CO 0.77 -0.57 0.61 0.78 0.00 0.00 0.00 179.25 180.84 1b5u h GLY 48 N 0.26 1.33 0.00 0.00 0.00 -1.95 -3.30 103.07 99.43 1b5u h GLY 48 Ca 0.39 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1b5u h GLY 48 CO -0.09 0.40 0.00 2.09 0.00 0.00 0.00 176.54 178.94 1b5u n ASP 49 N -4.44 1.18 -1.42 0.19 5.75 -0.93 -5.01 116.55 111.87 1b5u n ASP 49 Ca 0.12 -1.55 -0.16 0.00 -0.01 0.00 0.00 54.79 53.19 1b5u n ASP 49 Cb 0.10 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.14 1b5u n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b5u n ARG 50 N -0.28 -1.14 -3.91 0.11 1.74 0.01 -4.79 116.66 108.40 1b5u n ARG 50 Ca 0.00 0.93 -0.21 0.00 -0.77 0.00 0.00 57.85 57.80 1b5u n ARG 50 Cb 0.31 -5.17 -0.04 0.00 -1.02 0.00 0.00 32.46 26.54 1b5u n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b5u s SER 51 N -2.63 5.35 0.01 0.55 1.04 -1.20 -4.51 113.70 112.30 1b5u s SER 51 Ca 0.00 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.04 1b5u s SER 51 Cb 0.00 -1.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.01 1b5u s SER 51 CO 0.00 -0.26 -0.11 -0.89 0.98 0.00 0.00 173.24 172.96 1b5u s THR 52 N -2.26 0.87 -0.16 2.02 2.01 -1.26 -0.46 115.64 116.41 1b5u s THR 52 Ca 0.38 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1b5u s THR 52 Cb -0.06 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1b5u s THR 52 CO 0.26 0.12 0.23 -1.81 -0.69 0.00 0.00 174.62 172.73 1b5u s ASP 53 N -0.58 6.37 -0.05 3.53 1.01 0.13 -1.14 116.67 125.94 1b5u s ASP 53 Ca 0.02 0.43 0.06 0.00 0.71 0.00 0.00 52.55 53.77 1b5u s ASP 53 Cb -0.05 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1b5u s ASP 53 CO 0.00 0.17 -0.23 -0.31 0.21 0.00 0.00 175.17 175.01 1b5u s TYR 54 N 0.22 2.23 0.00 4.23 2.02 0.42 -1.73 117.35 124.74 1b5u s TYR 54 Ca 0.14 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1b5u s TYR 54 Cb -0.12 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1b5u s TYR 54 CO 0.02 -0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1b5u n GLY 55 N 2.91 -2.10 0.32 0.71 0.00 0.24 -1.66 105.19 105.61 1b5u n GLY 55 Ca -0.17 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.54 1b5u n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5u h ILE 56 N 0.00 0.90 -0.19 -0.61 2.10 -1.71 -0.69 117.51 117.32 1b5u h ILE 56 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1b5u h ILE 56 Cb 0.00 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 36.49 1b5u h ILE 56 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 1b5u n PHE 57 N -4.47 0.22 -3.66 2.19 3.72 -1.26 -4.08 117.46 110.12 1b5u n PHE 57 Ca 0.04 -0.13 -0.30 0.00 -0.05 0.00 0.00 57.45 57.00 1b5u n PHE 57 Cb 0.31 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.89 1b5u n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b5u n GLN 58 N 1.18 -1.22 -2.88 -1.08 1.13 -0.27 -4.92 117.38 109.33 1b5u n GLN 58 Ca 0.14 0.50 -0.41 0.00 -1.94 0.00 0.00 57.00 55.29 1b5u n GLN 58 Cb 0.52 -4.11 -0.04 0.00 0.11 0.00 0.00 30.24 26.72 1b5u n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b5u s ILE 59 N -3.43 4.94 0.09 5.09 1.01 -0.66 -4.45 121.20 123.79 1b5u s ILE 59 Ca 0.45 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.53 1b5u s ILE 59 Cb -0.16 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 1b5u s ILE 59 CO 0.86 0.17 1.03 0.21 0.00 0.00 0.00 174.94 177.20 1b5u s ASN 60 N 0.95 7.36 0.17 3.58 3.84 -1.26 -0.44 114.94 129.14 1b5u s ASN 60 Ca 0.43 1.86 0.19 0.00 0.21 0.00 0.00 52.86 55.55 1b5u s ASN 60 Cb -0.19 -2.59 0.83 0.00 -0.55 0.00 0.00 41.25 38.75 1b5u s ASN 60 CO 0.21 -0.20 1.59 -1.54 -2.79 0.00 0.00 177.10 174.36 1b5u n SER 61 N 3.13 0.41 0.11 -4.21 3.41 -0.29 -2.01 113.62 114.17 1b5u n SER 61 Ca 0.04 0.61 -0.04 0.00 -0.26 0.00 0.00 58.87 59.23 1b5u n SER 61 Cb 0.49 -0.70 0.12 0.00 -0.26 0.00 0.00 64.21 63.86 1b5u n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1b5u h ARG 62 N 0.00 0.10 0.00 4.33 2.43 -1.84 -3.40 114.38 116.00 1b5u h ARG 62 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1b5u h ARG 62 Cb 0.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1b5u h ARG 62 CO 0.00 0.72 -0.87 0.66 -1.51 0.00 0.00 179.97 178.97 1b5u n TYR 63 N -3.79 0.00 -0.12 2.20 4.02 -1.18 -0.45 117.16 117.84 1b5u n TYR 63 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 1b5u n TYR 63 Cb 0.65 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.84 1b5u n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1b5u n TRP 64 N -1.88 0.06 -4.23 -0.72 7.02 -0.85 -0.98 117.44 115.87 1b5u n TRP 64 Ca 0.00 0.01 -0.13 0.00 -1.02 0.00 0.00 57.50 56.36 1b5u n TRP 64 Cb 0.43 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.21 1b5u n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b5u s ASN 66 N -3.14 5.79 0.00 0.00 2.47 -0.42 -4.52 114.94 115.13 1b5u s ASN 66 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1b5u s ASN 66 Cb 0.05 -2.05 0.01 0.00 -1.45 0.00 0.00 41.25 37.81 1b5u s ASN 66 CO 0.01 0.03 0.71 -0.90 -3.72 0.00 0.00 177.10 173.22 1b5u n ASP 67 N 4.53 1.43 0.00 -4.21 5.68 -1.26 -1.45 116.55 121.28 1b5u n ASP 67 Ca -0.15 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1b5u n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1b5u n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b5u n GLY 68 N -0.16 1.52 0.83 6.12 0.00 -1.26 -4.68 105.19 107.55 1b5u n GLY 68 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1b5u n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b5u n LYS 69 N -1.40 1.88 -3.31 1.61 2.85 -1.26 -4.93 118.16 113.60 1b5u n LYS 69 Ca 0.00 -1.81 -0.40 0.00 -1.05 0.00 0.00 58.31 55.05 1b5u n LYS 69 Cb 0.00 -1.38 -0.08 0.00 -0.65 0.00 0.00 35.03 32.92 1b5u n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b5u s THR 70 N -1.41 5.11 0.49 0.58 2.01 -1.26 -4.97 115.64 116.19 1b5u s THR 70 Ca 0.26 0.69 -0.24 0.00 0.31 0.00 0.00 61.69 62.71 1b5u s THR 70 Cb 0.17 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 1b5u s THR 70 CO 0.24 0.09 1.41 -2.65 -0.69 0.00 0.00 174.62 173.03 1b5u n PRO 71 N 5.46 2.04 -4.23 4.92 -0.02 -1.26 -3.30 135.00 138.61 1b5u n PRO 71 Ca -0.06 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 1b5u n PRO 71 Cb 0.50 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 1b5u n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b5u n GLY 72 N 0.64 -0.37 3.92 -1.23 0.00 -1.26 -4.92 105.19 101.97 1b5u n GLY 72 Ca 0.07 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1b5u n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5u s ALA 73 N -3.51 3.88 0.39 4.61 0.00 -1.21 -4.97 121.76 120.95 1b5u s ALA 73 Ca 0.55 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1b5u s ALA 73 Cb -0.30 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1b5u s ALA 73 CO 0.94 0.59 0.06 0.14 0.00 0.00 0.00 175.76 177.49 1b5u s VAL 74 N -1.73 2.23 -0.48 0.00 -7.23 0.40 -5.00 120.40 108.59 1b5u s VAL 74 Ca 0.38 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 1b5u s VAL 74 Cb -0.12 -2.94 0.25 0.00 0.56 0.00 0.00 36.38 34.13 1b5u s VAL 74 CO 0.28 -0.05 0.59 -3.20 -0.31 0.00 0.00 175.10 172.41 1b5u n ASN 75 N -1.04 1.38 0.26 4.85 5.15 -1.24 -3.88 115.26 120.74 1b5u n ASN 75 Ca -0.04 -2.94 0.09 0.00 -0.60 0.00 0.00 54.58 51.09 1b5u n ASN 75 Cb 0.65 -0.65 0.67 0.00 -0.53 0.00 0.00 39.78 39.92 1b5u n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b5u h ALA 76 N 4.10 1.87 -0.00 5.20 0.00 -1.06 -0.88 119.26 128.49 1b5u h ALA 76 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b5u h ALA 76 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1b5u h ALA 76 CO 0.59 0.04 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 1b5u n HIS 78 N -1.09 -1.93 -3.98 0.00 -0.00 -0.34 -4.98 115.22 102.89 1b5u n HIS 78 Ca 0.12 0.73 -0.09 0.00 -0.00 0.00 0.00 57.72 58.48 1b5u n HIS 78 Cb 0.30 -4.05 -0.10 0.00 -0.00 0.00 0.00 29.99 26.14 1b5u n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b5u s LEU 79 N -6.53 2.09 0.30 2.41 1.43 -1.26 -5.08 118.68 112.04 1b5u s LEU 79 Ca 0.16 -0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1b5u s LEU 79 Cb -0.05 0.37 -0.10 0.00 0.03 0.00 0.00 46.19 46.45 1b5u s LEU 79 CO 0.83 -0.47 0.91 -0.55 0.23 0.00 0.00 176.35 177.29 1b5u s SER 80 N -2.14 7.30 0.64 2.29 0.15 -1.26 -1.29 113.70 119.39 1b5u s SER 80 Ca -0.05 1.77 0.41 0.00 0.70 0.00 0.00 55.95 58.78 1b5u s SER 80 Cb -0.01 -2.55 2.23 0.00 -1.71 0.00 0.00 66.02 63.97 1b5u s SER 80 CO -0.05 -0.04 2.32 0.00 1.20 0.00 0.00 173.24 176.67 1b5u h SER 82 N 0.00 0.70 0.16 0.00 0.87 -1.91 -1.47 113.55 111.91 1b5u h SER 82 Ca -0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1b5u h SER 82 Cb 0.05 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1b5u h SER 82 CO 0.00 0.44 -0.03 0.00 -0.53 0.00 0.00 176.83 176.71 1b5u h ALA 83 N 1.59 1.24 -0.23 6.23 0.00 -1.61 -1.63 119.26 124.84 1b5u h ALA 83 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1b5u h ALA 83 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1b5u h ALA 83 CO -0.13 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1b5u n LEU 84 N -3.46 1.57 -0.39 0.00 4.77 -0.55 -3.49 117.00 115.44 1b5u n LEU 84 Ca -0.02 -0.72 0.04 0.00 -0.03 0.00 0.00 56.01 55.27 1b5u n LEU 84 Cb 0.13 -0.15 0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1b5u n LEU 84 CO 0.25 0.36 0.58 0.18 -1.33 0.00 0.00 177.39 177.43 1b5u n LEU 85 N 0.30 2.59 -4.89 2.23 4.77 -0.61 -3.48 117.00 117.90 1b5u n LEU 85 Ca 0.13 -2.05 -0.29 0.00 -0.03 0.00 0.00 56.01 53.77 1b5u n LEU 85 Cb 0.28 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1b5u n LEU 85 CO 0.10 0.64 0.70 -1.10 -1.33 0.00 0.00 177.39 176.40 1b5u s GLN 86 N -1.08 2.93 0.18 3.23 -0.21 -1.23 -4.57 119.66 118.90 1b5u s GLN 86 Ca 0.15 0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.95 1b5u s GLN 86 Cb 0.08 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 32.05 1b5u s GLN 86 CO 0.09 -0.93 1.41 -0.44 -2.12 0.00 0.00 175.29 173.30 1b5u h ASP 87 N -0.53 0.24 -3.48 5.90 3.32 -1.93 -3.41 116.42 116.52 1b5u h ASP 87 Ca -0.45 -0.18 -0.59 0.00 0.02 0.00 0.00 57.03 55.83 1b5u h ASP 87 Cb 1.25 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 1b5u h ASP 87 CO 0.63 0.97 0.65 0.21 -1.72 0.00 0.00 179.24 179.98 1b5u s ASN 88 N -6.91 6.71 -0.01 6.45 3.84 -1.26 -4.93 114.94 118.83 1b5u s ASN 88 Ca -0.03 0.63 0.05 0.00 0.21 0.00 0.00 52.86 53.72 1b5u s ASN 88 Cb 0.10 -2.48 0.15 0.00 -0.55 0.00 0.00 41.25 38.47 1b5u s ASN 88 CO 0.82 -0.89 1.05 2.30 -2.79 0.00 0.00 177.10 177.60 1b5u n ILE 89 N 6.02 0.28 -0.14 -5.21 -5.35 -1.26 -4.37 119.36 109.33 1b5u n ILE 89 Ca 0.08 -0.23 -0.04 0.00 -0.27 0.00 0.00 62.75 62.30 1b5u n ILE 89 Cb 0.48 -0.00 0.05 0.00 -1.74 0.00 0.00 39.64 38.43 1b5u n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b5u h ALA 90 N 3.13 0.49 -0.54 -1.28 0.00 -1.95 0.36 119.26 119.46 1b5u h ALA 90 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1b5u h ALA 90 Cb 0.33 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1b5u h ALA 90 CO 0.02 -0.32 -0.07 -0.44 0.00 0.00 0.00 179.25 178.44 1b5u h ASP 91 N 0.21 1.00 -0.92 0.00 3.32 -1.87 -1.75 116.42 116.41 1b5u h ASP 91 Ca 0.22 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1b5u h ASP 91 Cb 0.28 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1b5u h ASP 91 CO -0.30 1.10 0.61 0.00 -1.72 0.00 0.00 179.24 178.94 1b5u h ALA 92 N 0.93 1.18 -0.32 3.45 0.00 -1.67 -1.14 119.26 121.68 1b5u h ALA 92 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1b5u h ALA 92 Cb 0.63 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1b5u h ALA 92 CO 0.04 0.55 -0.07 0.28 0.00 0.00 0.00 179.25 180.06 1b5u h VAL 93 N 1.24 1.28 -0.96 0.00 2.07 -0.77 -0.55 116.25 118.55 1b5u h VAL 93 Ca 0.34 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1b5u h VAL 93 Cb -0.12 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1b5u h VAL 93 CO -0.08 0.36 0.63 0.00 0.02 0.00 0.00 177.57 178.50 1b5u h ALA 94 N 0.81 1.37 -0.13 1.67 0.00 -0.95 -0.76 119.26 121.28 1b5u h ALA 94 Ca 0.08 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1b5u h ALA 94 Cb 0.55 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1b5u h ALA 94 CO 0.03 0.54 -0.82 0.00 0.00 0.00 0.00 179.25 179.00 1b5u h ALA 96 N 0.52 1.56 -0.41 0.00 0.00 -0.76 0.20 119.26 120.37 1b5u h ALA 96 Ca -0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1b5u h ALA 96 Cb 1.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1b5u h ALA 96 CO 0.17 0.33 -0.10 0.87 0.00 0.00 0.00 179.25 180.53 1b5u h LYS 97 N 0.46 0.73 -0.31 0.00 1.57 -1.06 -2.58 116.57 115.38 1b5u h LYS 97 Ca 0.11 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1b5u h LYS 97 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1b5u h LYS 97 CO -0.01 0.81 0.02 -0.09 -0.57 0.00 0.00 179.45 179.61 1b5u h ARG 98 N 0.67 0.53 -0.46 3.15 9.65 -0.76 -2.89 114.38 124.28 1b5u h ARG 98 Ca 0.12 -0.16 0.07 0.00 -1.10 0.00 0.00 59.98 58.91 1b5u h ARG 98 Cb 0.55 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.02 1b5u h ARG 98 CO 0.03 0.66 0.10 0.28 2.80 0.00 0.00 179.97 183.84 1b5u h VAL 99 N 0.34 0.77 0.00 0.20 2.07 -0.81 -1.81 116.25 117.00 1b5u h VAL 99 Ca 0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1b5u h VAL 99 Cb 0.40 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1b5u h VAL 99 CO 0.01 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.98 1b5u n VAL 100 N -5.09 0.31 0.43 2.57 0.24 -0.99 -2.58 118.33 113.22 1b5u n VAL 100 Ca 0.04 0.08 0.13 0.00 -2.04 0.00 0.00 64.34 62.55 1b5u n VAL 100 Cb 0.21 -0.69 0.47 0.00 -1.47 0.00 0.00 33.84 32.36 1b5u n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b5u h ARG 101 N 0.00 0.00 -7.23 7.34 3.08 -1.10 -3.36 114.38 113.10 1b5u h ARG 101 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1b5u h ARG 101 Cb 0.26 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.37 1b5u h ARG 101 CO 0.00 0.00 0.38 -0.51 -1.07 0.00 0.00 179.97 178.77 1b5u s ASP 102 N -4.72 6.05 0.46 7.04 1.11 -1.06 -4.95 116.67 120.60 1b5u s ASP 102 Ca 0.06 1.67 0.29 0.00 0.18 0.00 0.00 52.55 54.75 1b5u s ASP 102 Cb 0.10 -2.51 1.36 0.00 1.07 0.00 0.00 42.92 42.94 1b5u s ASP 102 CO 0.50 -0.98 1.71 1.55 1.18 0.00 0.00 175.17 179.13 1b5u h PRO 103 N 0.37 0.16 0.00 8.23 0.13 -1.89 -1.18 132.00 137.82 1b5u h PRO 103 Ca -0.46 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1b5u h PRO 103 Cb 1.20 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1b5u h PRO 103 CO 0.59 0.11 -0.20 1.96 -0.23 0.00 0.00 178.00 180.23 1b5u h GLN 104 N 0.17 0.00 0.00 0.86 4.20 -1.91 -3.49 115.11 114.95 1b5u h GLN 104 Ca 0.69 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.40 1b5u h GLN 104 Cb 2.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.00 1b5u h GLN 104 CO -0.25 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 178.52 1b5u n GLY 105 N 0.01 1.93 0.33 3.46 0.00 -0.45 -2.05 105.19 108.43 1b5u n GLY 105 Ca -0.00 -0.52 0.21 0.00 0.00 0.00 0.00 46.02 45.71 1b5u n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5u h ILE 106 N 0.00 0.08 0.00 -0.61 6.09 -1.91 -2.03 117.51 119.13 1b5u h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1b5u h ILE 106 Cb 0.00 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1b5u h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1b5u n ARG 107 N -3.18 0.02 0.31 2.19 1.74 -0.87 -2.69 116.66 114.18 1b5u n ARG 107 Ca -0.03 0.34 0.19 0.00 -0.77 0.00 0.00 57.85 57.58 1b5u n ARG 107 Cb 0.09 -1.55 1.05 0.00 -1.02 0.00 0.00 32.46 31.04 1b5u n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b5u h ALA 108 N 2.34 1.29 -2.82 7.54 0.00 -1.50 -3.37 119.26 122.75 1b5u h ALA 108 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1b5u h ALA 108 Cb 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.79 1b5u h ALA 108 CO 0.00 -0.06 -0.52 -1.58 0.00 0.00 0.00 179.25 177.09 1b5u s TRP 109 N -4.36 3.20 0.45 0.00 0.51 -1.09 -4.97 118.94 112.69 1b5u s TRP 109 Ca -0.05 -0.26 0.12 0.00 -2.12 0.00 0.00 56.10 53.80 1b5u s TRP 109 Cb 0.14 -2.41 1.02 0.00 -0.81 0.00 0.00 33.47 31.41 1b5u s TRP 109 CO 0.46 -0.34 2.05 0.28 -0.51 0.00 0.00 176.95 178.88 1b5u h VAL 110 N 5.52 1.09 -0.17 4.03 2.07 -1.89 -1.59 116.25 125.30 1b5u h VAL 110 Ca -0.33 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1b5u h VAL 110 Cb 1.16 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1b5u h VAL 110 CO 0.61 0.11 0.07 0.00 0.02 0.00 0.00 177.57 178.38 1b5u h ALA 111 N 1.83 1.81 -0.45 1.67 0.00 -1.93 -1.77 119.26 120.42 1b5u h ALA 111 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1b5u h ALA 111 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1b5u h ALA 111 CO 0.00 0.16 0.08 2.35 0.00 0.00 0.00 179.25 181.83 1b5u h TRP 112 N 0.23 0.79 -0.54 0.00 7.01 -1.60 -0.51 115.95 121.32 1b5u h TRP 112 Ca 0.06 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1b5u h TRP 112 Cb 0.04 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1b5u h TRP 112 CO 0.00 0.75 0.28 0.00 -2.79 0.00 0.00 178.44 176.68 1b5u h ARG 113 N 0.61 0.77 -0.24 2.65 3.08 -1.37 0.89 114.38 120.76 1b5u h ARG 113 Ca 0.14 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1b5u h ARG 113 Cb 0.38 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1b5u h ARG 113 CO 0.01 0.61 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.43 1b5u h ASN 114 N 0.73 0.58 -0.00 7.04 2.35 -1.19 -3.35 115.58 121.73 1b5u h ASN 114 Ca 0.19 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1b5u h ASN 114 Cb 0.08 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1b5u h ASN 114 CO -0.03 0.90 -0.46 0.54 -1.65 0.00 0.00 177.43 176.74 1b5u n ARG 115 N -4.42 3.69 0.00 0.81 5.12 -0.22 -4.86 116.66 116.78 1b5u n ARG 115 Ca -0.04 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1b5u n ARG 115 Cb 0.39 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 1b5u n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b5u n GLN 117 N -2.55 2.07 -1.27 0.00 7.27 -0.39 -2.08 117.38 120.43 1b5u n GLN 117 Ca 0.00 0.74 -0.09 0.00 0.07 0.00 0.00 57.00 57.72 1b5u n GLN 117 Cb 0.49 -2.44 -0.04 0.00 2.41 0.00 0.00 30.24 30.66 1b5u n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1b5u n ASN 118 N 2.67 -5.08 -4.83 1.69 5.03 -1.26 -4.98 115.26 108.49 1b5u n ASN 118 Ca 0.14 0.23 -0.22 0.00 0.87 0.00 0.00 54.58 55.60 1b5u n ASN 118 Cb 0.30 -3.39 -0.04 0.00 -1.02 0.00 0.00 39.78 35.63 1b5u n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1b5u s ARG 119 N -2.57 2.44 -0.67 3.52 0.52 -0.88 -5.05 118.95 116.26 1b5u s ARG 119 Ca 0.00 -1.63 -0.24 0.00 -0.52 0.00 0.00 55.73 53.35 1b5u s ARG 119 Cb 0.00 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.27 1b5u s ARG 119 CO 0.00 -0.16 1.03 0.34 0.02 0.00 0.00 175.30 176.53 1b5u s ASP 120 N -4.06 6.18 0.00 0.23 2.15 -1.26 -4.85 116.67 115.06 1b5u s ASP 120 Ca 0.46 -0.82 0.21 0.00 0.43 0.00 0.00 52.55 52.82 1b5u s ASP 120 Cb -0.01 -2.45 0.53 0.00 -0.30 0.00 0.00 42.92 40.69 1b5u s ASP 120 CO 0.26 -1.51 1.45 1.33 -0.17 0.00 0.00 175.17 176.53 1b5u n VAL 121 N 6.04 0.50 -0.33 1.11 0.24 -1.26 -4.46 118.33 120.17 1b5u n VAL 121 Ca -0.02 -0.65 0.06 0.00 -2.04 0.00 0.00 64.34 61.69 1b5u n VAL 121 Cb 0.46 0.65 0.22 0.00 -1.47 0.00 0.00 33.84 33.71 1b5u n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b5u h ARG 122 N 3.58 0.86 -1.17 7.34 3.08 -1.93 -2.44 114.38 123.70 1b5u h ARG 122 Ca 0.00 -0.05 0.33 0.00 0.07 0.00 0.00 59.98 60.33 1b5u h ARG 122 Cb 0.80 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 1b5u h ARG 122 CO 0.00 0.57 0.82 -0.56 -1.07 0.00 0.00 179.97 179.73 1b5u h GLN 123 N 0.88 0.08 0.00 0.04 3.07 -1.97 -1.19 115.11 116.02 1b5u h GLN 123 Ca 0.47 -0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.16 1b5u h GLN 123 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 1b5u h GLN 123 CO -0.28 0.05 -0.24 1.88 0.09 0.00 0.00 178.83 180.33 1b5u h TYR 124 N 0.08 0.00 -0.00 0.06 0.05 -1.78 -3.26 116.97 112.12 1b5u h TYR 124 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 1b5u h TYR 124 Cb 2.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.88 1b5u h TYR 124 CO -0.00 0.24 -0.07 1.33 -1.05 0.00 0.00 178.16 178.60 1b5u n VAL 125 N -3.61 0.00 -1.78 -2.88 0.24 -0.50 -4.85 118.33 104.95 1b5u n VAL 125 Ca -0.01 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1b5u n VAL 125 Cb 0.37 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 1b5u n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1b5u s GLN 126 N -0.77 4.14 0.00 7.34 -1.52 -0.88 -2.41 119.66 125.56 1b5u s GLN 126 Ca 0.04 2.56 0.00 0.00 -1.95 0.00 0.00 55.36 56.01 1b5u s GLN 126 Cb 0.04 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 1b5u s GLN 126 CO 0.11 -0.69 0.00 0.41 -0.25 0.00 0.00 175.29 174.86 1b5u n GLY 127 N 3.45 0.89 0.02 3.09 0.00 -1.26 -4.91 105.19 106.46 1b5u n GLY 127 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1b5u n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5u n GLY 129 N 1.47 0.31 0.47 0.00 0.00 -1.26 -4.83 105.19 101.36 1b5u n GLY 129 Ca 0.07 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.38 1b5u n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65