#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubz s VAL 2 N 0.00 3.34 0.56 0.58 1.01 -1.26 -0.96 120.40 123.66 1ubz s VAL 2 Ca 0.00 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 60.50 1ubz s VAL 2 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1ubz s VAL 2 CO 0.00 -0.15 1.12 -0.36 0.00 0.00 0.00 175.10 175.70 1ubz s PHE 3 N 1.31 2.70 0.37 5.22 0.08 -0.28 -5.00 117.98 122.39 1ubz s PHE 3 Ca -0.03 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.49 1ubz s PHE 3 Cb -0.20 -3.24 -0.05 0.00 -0.57 0.00 0.00 43.02 38.95 1ubz s PHE 3 CO 0.01 -1.51 0.68 -1.21 -0.10 0.00 0.00 175.22 173.08 1ubz s GLU 4 N -3.42 3.68 0.09 0.44 2.02 -1.26 -4.83 118.70 115.41 1ubz s GLU 4 Ca 0.71 0.22 -0.24 0.00 0.02 0.00 0.00 54.97 55.69 1ubz s GLU 4 Cb -0.22 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.43 1ubz s GLU 4 CO 0.29 0.04 1.39 -0.09 0.02 0.00 0.00 175.26 176.91 1ubz h ARG 5 N 1.24 -0.31 0.00 1.61 2.43 -1.96 -0.71 114.38 116.68 1ubz h ARG 5 Ca -0.47 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 1ubz h ARG 5 Cb 1.19 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1ubz h ARG 5 CO 0.64 -0.21 -0.34 0.00 -1.51 0.00 0.00 179.97 178.55 1ubz h GLU 7 N 0.00 0.93 -0.27 0.00 4.81 -1.89 -1.87 114.58 116.29 1ubz h GLU 7 Ca -0.00 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1ubz h GLU 7 Cb 0.62 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ubz h GLU 7 CO 0.04 0.78 -0.00 1.25 -0.73 0.00 0.00 179.01 180.36 1ubz h LEU 8 N 0.87 0.47 -0.56 1.64 5.85 -0.57 -2.22 115.31 120.78 1ubz h LEU 8 Ca 0.21 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1ubz h LEU 8 Cb 0.20 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1ubz h LEU 8 CO -0.02 0.66 0.22 0.00 -0.34 0.00 0.00 178.44 178.96 1ubz h ALA 9 N 0.82 0.71 -0.35 1.25 0.00 -0.92 0.20 119.26 120.96 1ubz h ALA 9 Ca 0.08 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1ubz h ALA 9 Cb 0.43 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ubz h ALA 9 CO 0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 179.25 178.80 1ubz h ARG 10 N 0.41 0.74 -0.69 0.00 3.08 -1.34 -1.67 114.38 114.89 1ubz h ARG 10 Ca 0.27 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1ubz h ARG 10 Cb 0.30 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1ubz h ARG 10 CO -0.26 0.93 0.27 1.15 -1.07 0.00 0.00 179.97 180.99 1ubz h THR 11 N 0.63 1.25 -0.08 2.04 2.02 -0.66 -0.82 112.91 117.29 1ubz h THR 11 Ca 0.08 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 66.34 1ubz h THR 11 Cb 0.79 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1ubz h THR 11 CO 0.07 0.31 -0.60 -0.07 0.37 0.00 0.00 175.52 175.59 1ubz h LEU 12 N 0.99 0.32 -0.24 2.58 3.38 -0.95 -2.24 115.31 119.15 1ubz h LEU 12 Ca 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ubz h LEU 12 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ubz h LEU 12 CO -0.02 0.84 0.04 0.50 0.09 0.00 0.00 178.44 179.90 1ubz h LYS 13 N 0.21 0.39 -0.54 1.13 3.64 -0.78 -1.64 116.57 118.97 1ubz h LYS 13 Ca -0.01 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1ubz h LYS 13 Cb 1.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1ubz h LYS 13 CO 0.10 0.52 0.36 0.00 -2.27 0.00 0.00 179.45 178.16 1ubz h ARG 14 N 0.20 0.61 -0.69 1.90 3.08 -1.06 -1.91 114.38 116.51 1ubz h ARG 14 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ubz h ARG 14 Cb 0.32 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1ubz h ARG 14 CO 0.00 0.40 0.00 1.28 -1.07 0.00 0.00 179.97 180.58 1ubz n LEU 15 N -4.47 1.94 -1.16 3.04 4.77 -0.85 -4.90 117.00 115.37 1ubz n LEU 15 Ca 0.06 -0.98 -0.12 0.00 -0.03 0.00 0.00 56.01 54.94 1ubz n LEU 15 Cb 0.14 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1ubz n LEU 15 CO 0.35 0.33 -0.14 0.61 -1.33 0.00 0.00 177.39 177.21 1ubz n GLY 16 N 0.36 0.61 0.17 -0.72 0.00 -0.72 -4.94 105.19 99.95 1ubz n GLY 16 Ca 0.07 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1ubz n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ubz h MET 17 N 0.00 0.00 -6.07 1.61 2.86 -1.48 -3.39 114.93 108.46 1ubz h MET 17 Ca -0.27 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.84 1ubz h MET 17 Cb 1.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 1ubz h MET 17 CO 0.35 0.14 1.35 0.34 1.06 0.00 0.00 176.91 180.16 1ubz s ASP 18 N -6.03 5.47 0.00 1.22 -1.08 -1.26 -2.35 116.67 112.64 1ubz s ASP 18 Ca 0.04 0.87 0.00 0.00 -0.52 0.00 0.00 52.55 52.93 1ubz s ASP 18 Cb 0.07 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1ubz s ASP 18 CO 0.73 -2.12 0.00 0.61 0.52 0.00 0.00 175.17 174.90 1ubz n GLY 19 N 5.60 0.66 3.62 2.66 0.00 0.16 -4.90 105.19 113.00 1ubz n GLY 19 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1ubz n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ubz s TYR 20 N -2.13 1.71 -1.45 1.61 5.04 -0.99 -1.73 117.35 119.41 1ubz s TYR 20 Ca 0.00 0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.93 1ubz s TYR 20 Cb 0.00 -4.03 0.03 0.00 0.35 0.00 0.00 41.96 38.30 1ubz s TYR 20 CO 0.00 -3.64 0.93 0.54 -1.34 0.00 0.00 175.55 172.04 1ubz n ARG 21 N 8.01 -6.32 -0.48 4.97 5.12 -1.26 -2.11 116.66 124.58 1ubz n ARG 21 Ca 0.22 0.79 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1ubz n ARG 21 Cb 0.45 -5.74 0.00 0.00 -1.16 0.00 0.00 32.46 26.00 1ubz n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ubz n GLY 22 N -1.76 1.70 3.63 -0.13 0.00 -0.70 -5.01 105.19 102.91 1ubz n GLY 22 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1ubz n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubz s ILE 23 N -3.36 4.97 0.68 -0.61 1.01 -0.90 -4.85 121.20 118.15 1ubz s ILE 23 Ca 0.00 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.70 1ubz s ILE 23 Cb 0.00 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1ubz s ILE 23 CO 0.00 0.01 1.07 -0.94 0.00 0.00 0.00 174.94 175.08 1ubz s SER 24 N 1.46 5.31 0.26 3.58 1.04 -1.26 0.38 113.70 124.47 1ubz s SER 24 Ca 0.27 1.72 -0.02 0.00 0.48 0.00 0.00 55.95 58.39 1ubz s SER 24 Cb -0.15 -2.51 0.41 0.00 0.10 0.00 0.00 66.02 63.87 1ubz s SER 24 CO 0.08 -1.49 1.87 0.25 0.98 0.00 0.00 173.24 174.93 1ubz h LEU 25 N -0.49 0.99 -0.76 2.42 5.85 -1.91 -1.93 115.31 119.49 1ubz h LEU 25 Ca -0.45 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.35 1ubz h LEU 25 Cb 1.22 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1ubz h LEU 25 CO 0.56 0.62 0.45 0.00 -0.34 0.00 0.00 178.44 179.73 1ubz h ALA 26 N 1.46 1.02 -0.68 1.25 0.00 -1.92 0.28 119.26 120.67 1ubz h ALA 26 Ca 0.43 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1ubz h ALA 26 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ubz h ALA 26 CO -0.19 0.17 0.25 -0.91 0.00 0.00 0.00 179.25 178.58 1ubz h ASN 27 N 0.84 0.93 -0.26 0.00 2.35 -1.64 0.14 115.58 117.93 1ubz h ASN 27 Ca 0.33 -0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 1ubz h ASN 27 Cb 0.15 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1ubz h ASN 27 CO -0.17 0.84 -0.42 -0.50 -1.65 0.00 0.00 177.43 175.53 1ubz h TRP 28 N 0.98 0.93 -0.34 1.19 4.06 -0.88 -2.17 115.95 119.72 1ubz h TRP 28 Ca 0.23 -0.32 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1ubz h TRP 28 Cb 0.22 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1ubz h TRP 28 CO 0.02 1.10 0.18 0.52 -3.56 0.00 0.00 178.44 176.71 1ubz h MET 29 N 0.48 0.48 -0.52 0.49 2.86 -0.30 0.10 114.93 118.52 1ubz h MET 29 Ca 0.02 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1ubz h MET 29 Cb 1.02 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1ubz h MET 29 CO 0.10 0.40 0.27 0.00 1.06 0.00 0.00 176.91 178.74 1ubz h LEU 31 N 0.52 -0.17 -0.73 0.00 7.12 -0.94 -2.22 115.31 118.89 1ubz h LEU 31 Ca 0.23 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.23 1ubz h LEU 31 Cb 0.13 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 1ubz h LEU 31 CO -0.16 -0.10 0.36 0.00 -0.13 0.00 0.00 178.44 178.41 1ubz h ALA 32 N 0.80 0.94 0.01 1.25 0.00 -0.52 -0.25 119.26 121.49 1ubz h ALA 32 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ubz h ALA 32 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ubz h ALA 32 CO -0.03 0.49 -0.08 -0.22 0.00 0.00 0.00 179.25 179.42 1ubz h LYS 33 N 1.01 -0.14 0.00 0.00 3.11 -0.60 -1.24 116.57 118.72 1ubz h LYS 33 Ca 0.25 0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.95 1ubz h LYS 33 Cb 0.11 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1ubz h LYS 33 CO -0.03 -0.09 -0.70 -1.49 -2.81 0.00 0.00 179.45 174.33 1ubz h TRP 34 N -0.14 0.00 0.09 1.91 4.06 -1.24 0.63 115.95 121.26 1ubz h TRP 34 Ca 0.03 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.84 1ubz h TRP 34 Cb 0.18 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1ubz h TRP 34 CO -0.14 0.70 -0.58 0.93 -3.56 0.00 0.00 178.44 175.78 1ubz h GLU 35 N 0.00 0.24 0.00 0.49 4.39 -0.99 -3.43 114.58 115.29 1ubz h GLU 35 Ca -0.01 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1ubz h GLU 35 Cb 1.28 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1ubz h GLU 35 CO 0.09 1.15 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 1ubz n SER 36 N -4.26 0.25 -1.41 1.42 3.41 -0.51 -4.89 113.62 107.63 1ubz n SER 36 Ca -0.12 -0.61 -0.12 0.00 -0.26 0.00 0.00 58.87 57.76 1ubz n SER 36 Cb 0.71 0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 64.97 1ubz n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ubz n GLY 37 N 0.31 -0.11 2.34 5.00 0.00 0.21 -2.40 105.19 110.54 1ubz n GLY 37 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1ubz n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ubz n TYR 38 N -4.01 -0.28 -3.72 1.61 0.53 -1.18 -4.79 117.16 105.33 1ubz n TYR 38 Ca -0.13 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.38 1ubz n TYR 38 Cb 0.60 -2.68 -0.12 0.00 -1.03 0.00 0.00 39.34 36.11 1ubz n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ubz s ASN 39 N -2.65 5.29 0.55 7.72 3.84 -1.01 -1.12 114.94 127.55 1ubz s ASN 39 Ca 0.00 -0.20 0.34 0.00 0.21 0.00 0.00 52.86 53.21 1ubz s ASN 39 Cb 0.00 -1.96 1.44 0.00 -0.55 0.00 0.00 41.25 40.19 1ubz s ASN 39 CO 0.00 -0.05 2.01 0.71 -2.79 0.00 0.00 177.10 176.98 1ubz h THR 40 N 5.53 0.00 -0.36 -5.21 1.35 -1.37 -3.01 112.91 109.84 1ubz h THR 40 Ca -0.37 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1ubz h THR 40 Cb 1.18 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1ubz h THR 40 CO 0.58 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.39 1ubz n ARG 41 N -3.04 2.43 -1.95 4.72 1.74 -1.26 -3.91 116.66 115.38 1ubz n ARG 41 Ca 0.00 -2.16 -0.41 0.00 -0.77 0.00 0.00 57.85 54.51 1ubz n ARG 41 Cb 0.28 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1ubz n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ubz s ALA 42 N -1.54 3.58 -0.06 7.54 0.00 -1.17 -4.79 121.76 125.31 1ubz s ALA 42 Ca 0.38 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.72 1ubz s ALA 42 Cb 0.22 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1ubz s ALA 42 CO 0.31 -0.84 0.15 0.95 0.00 0.00 0.00 175.76 176.33 1ubz s THR 43 N -0.76 -0.03 -0.16 0.00 -4.23 -1.26 -0.37 115.64 108.83 1ubz s THR 43 Ca 0.54 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 1ubz s THR 43 Cb -0.43 -0.24 0.05 0.00 1.34 0.00 0.00 72.50 73.21 1ubz s THR 43 CO 0.54 0.05 -0.02 0.20 -0.54 0.00 0.00 174.62 174.84 1ubz s ASN 44 N 0.81 2.74 0.02 3.99 0.02 -0.24 -4.95 114.94 117.34 1ubz s ASN 44 Ca -0.06 -0.65 -0.22 0.00 -1.02 0.00 0.00 52.86 50.90 1ubz s ASN 44 Cb -0.08 -0.79 -0.05 0.00 0.02 0.00 0.00 41.25 40.35 1ubz s ASN 44 CO -0.04 -0.22 0.66 -0.47 0.02 0.00 0.00 177.10 177.05 1ubz s TYR 45 N 1.72 3.71 -0.47 2.20 6.04 -1.26 0.38 117.35 129.67 1ubz s TYR 45 Ca 0.00 1.31 -0.08 0.00 0.04 0.00 0.00 57.07 58.35 1ubz s TYR 45 Cb -0.15 -2.69 0.12 0.00 -1.04 0.00 0.00 41.96 38.20 1ubz s TYR 45 CO -0.07 0.33 0.33 1.21 -1.54 0.00 0.00 175.55 175.81 1ubz s ASN 46 N -0.19 5.64 0.57 4.32 3.84 0.13 -4.95 114.94 124.30 1ubz s ASN 46 Ca 0.34 -1.98 0.33 0.00 0.21 0.00 0.00 52.86 51.76 1ubz s ASN 46 Cb -0.19 -1.98 1.72 0.00 -0.55 0.00 0.00 41.25 40.25 1ubz s ASN 46 CO 0.20 -0.66 2.15 0.00 -2.79 0.00 0.00 177.10 176.00 1ubz h ALA 47 N 8.33 1.17 0.11 1.71 0.00 -1.95 0.71 119.26 129.35 1ubz h ALA 47 Ca -0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ubz h ALA 47 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ubz h ALA 47 CO 0.83 0.07 -0.05 0.78 0.00 0.00 0.00 179.25 180.88 1ubz h GLY 48 N 0.80 -0.15 -2.13 0.00 0.00 -1.94 -3.29 103.07 96.35 1ubz h GLY 48 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ubz h GLY 48 CO 0.01 -0.06 0.00 2.09 0.00 0.00 0.00 176.54 178.58 1ubz n ASP 49 N -5.01 3.40 -1.92 0.19 3.85 -1.18 -4.97 116.55 110.91 1ubz n ASP 49 Ca -0.09 -1.95 -0.21 0.00 -0.71 0.00 0.00 54.79 51.83 1ubz n ASP 49 Cb 0.20 -0.30 -0.06 0.00 -1.35 0.00 0.00 41.12 39.62 1ubz n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ubz n ARG 50 N 1.30 -1.55 -3.85 0.11 1.74 0.23 -4.71 116.66 109.92 1ubz n ARG 50 Ca 0.18 1.15 -0.22 0.00 -0.77 0.00 0.00 57.85 58.20 1ubz n ARG 50 Cb 0.55 -5.65 -0.04 0.00 -1.02 0.00 0.00 32.46 26.31 1ubz n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ubz s SER 51 N -2.49 5.11 -0.00 0.55 1.04 -1.10 -4.50 113.70 112.30 1ubz s SER 51 Ca 0.00 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.86 1ubz s SER 51 Cb 0.00 -0.86 -0.01 0.00 0.10 0.00 0.00 66.02 65.25 1ubz s SER 51 CO 0.00 -0.38 -0.10 -0.89 0.98 0.00 0.00 173.24 172.85 1ubz s THR 52 N -2.36 0.78 -0.19 2.02 2.01 -1.26 0.18 115.64 116.82 1ubz s THR 52 Ca 0.41 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1ubz s THR 52 Cb -0.05 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1ubz s THR 52 CO 0.26 0.19 0.21 -1.81 -0.69 0.00 0.00 174.62 172.77 1ubz s ASP 53 N -0.32 6.30 -0.05 3.53 -0.00 0.16 -1.59 116.67 124.70 1ubz s ASP 53 Ca 0.03 0.34 0.04 0.00 -0.00 0.00 0.00 52.55 52.97 1ubz s ASP 53 Cb -0.04 -2.14 -0.02 0.00 -0.00 0.00 0.00 42.92 40.72 1ubz s ASP 53 CO -0.00 0.12 -0.16 -0.31 -0.00 0.00 0.00 175.17 174.83 1ubz s TYR 54 N 0.51 2.67 0.00 4.23 2.02 0.52 -1.08 117.35 126.22 1ubz s TYR 54 Ca 0.12 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1ubz s TYR 54 Cb -0.12 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1ubz s TYR 54 CO 0.01 0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.55 1ubz n GLY 55 N 2.37 -0.93 0.38 0.71 0.00 0.51 -1.25 105.19 106.98 1ubz n GLY 55 Ca -0.17 -1.14 0.15 0.00 0.00 0.00 0.00 46.02 44.86 1ubz n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ubz h ILE 56 N 0.00 0.75 -0.03 -0.61 -0.00 -1.65 -0.97 117.51 115.01 1ubz h ILE 56 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 64.86 64.65 1ubz h ILE 56 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 36.82 36.90 1ubz h ILE 56 CO 0.00 0.11 -0.04 0.49 -0.00 0.00 0.00 178.15 178.71 1ubz n PHE 57 N -4.59 0.00 -3.74 2.19 0.99 -1.26 -3.97 117.46 107.08 1ubz n PHE 57 Ca 0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.35 1ubz n PHE 57 Cb 0.57 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 39.08 1ubz n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ubz n GLN 58 N 1.17 -1.92 -2.95 -1.08 1.13 -0.37 -4.94 117.38 108.42 1ubz n GLN 58 Ca 0.13 0.46 -0.39 0.00 -1.94 0.00 0.00 57.00 55.26 1ubz n GLN 58 Cb 0.57 -4.28 -0.06 0.00 0.11 0.00 0.00 30.24 26.57 1ubz n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ubz s ILE 59 N -3.58 4.34 -0.05 5.09 1.01 -0.38 -4.35 121.20 123.28 1ubz s ILE 59 Ca 0.35 1.71 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 1ubz s ILE 59 Cb -0.12 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1ubz s ILE 59 CO 0.86 0.45 1.09 0.21 0.00 0.00 0.00 174.94 177.55 1ubz s ASN 60 N -1.25 7.18 0.00 3.58 3.84 -1.26 -0.35 114.94 126.68 1ubz s ASN 60 Ca 0.38 1.70 0.20 0.00 0.21 0.00 0.00 52.86 55.34 1ubz s ASN 60 Cb -0.22 -2.56 0.88 0.00 -0.55 0.00 0.00 41.25 38.80 1ubz s ASN 60 CO 0.26 -0.47 1.62 -1.54 -2.79 0.00 0.00 177.10 174.19 1ubz n SER 61 N 4.79 0.00 0.11 -4.21 3.41 -0.62 -0.80 113.62 116.29 1ubz n SER 61 Ca 0.09 0.35 -0.23 0.00 -0.26 0.00 0.00 58.87 58.82 1ubz n SER 61 Cb 0.48 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.84 1ubz n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ubz h ARG 62 N 0.00 0.47 0.00 4.33 2.43 -1.84 -3.41 114.38 116.36 1ubz h ARG 62 Ca 0.00 -0.77 -0.36 0.00 -0.81 0.00 0.00 59.98 58.04 1ubz h ARG 62 Cb 0.29 0.28 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1ubz h ARG 62 CO 0.00 1.36 -2.27 0.66 -1.51 0.00 0.00 179.97 178.21 1ubz n TYR 63 N -3.88 0.00 -0.08 2.20 4.02 -1.13 -1.35 117.16 116.94 1ubz n TYR 63 Ca -0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.52 1ubz n TYR 63 Cb 0.99 -0.83 -0.12 0.00 -0.02 0.00 0.00 39.34 39.35 1ubz n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ubz n TRP 64 N -3.64 0.62 -4.34 -0.72 7.02 0.02 -0.96 117.44 115.44 1ubz n TRP 64 Ca -0.43 0.17 -0.19 0.00 -1.02 0.00 0.00 57.50 56.03 1ubz n TRP 64 Cb 0.86 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 28.57 1ubz n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ubz s ASN 66 N -3.14 5.29 0.00 0.00 3.84 -0.34 -4.38 114.94 116.21 1ubz s ASN 66 Ca 0.21 -0.27 0.11 0.00 0.21 0.00 0.00 52.86 53.12 1ubz s ASN 66 Cb -0.02 -1.95 0.21 0.00 -0.55 0.00 0.00 41.25 38.94 1ubz s ASN 66 CO 0.07 -0.07 1.08 -0.90 -2.79 0.00 0.00 177.10 174.49 1ubz n ASP 67 N 4.95 2.50 0.00 -4.21 5.68 -1.26 -2.24 116.55 121.97 1ubz n ASP 67 Ca -0.15 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1ubz n ASP 67 Cb 0.51 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1ubz n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ubz n GLY 68 N 0.61 0.78 0.02 6.12 0.00 -1.26 -4.77 105.19 106.69 1ubz n GLY 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ubz n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ubz n LYS 69 N -2.00 2.22 -3.89 1.61 2.85 -1.26 -5.02 118.16 112.67 1ubz n LYS 69 Ca 0.00 -1.32 -0.36 0.00 -1.05 0.00 0.00 58.31 55.58 1ubz n LYS 69 Cb 0.00 -1.01 -0.13 0.00 -0.65 0.00 0.00 35.03 33.24 1ubz n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ubz s THR 70 N -0.81 3.92 0.75 0.58 2.01 -1.26 -4.95 115.64 115.89 1ubz s THR 70 Ca 0.01 -0.31 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 1ubz s THR 70 Cb 0.00 -2.81 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1ubz s THR 70 CO 0.00 0.39 1.20 -2.84 -0.69 0.00 0.00 174.62 172.69 1ubz s PRO 71 N 1.40 2.00 0.00 4.92 0.02 -1.26 -3.06 135.00 139.01 1ubz s PRO 71 Ca 0.05 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.80 1ubz s PRO 71 Cb -0.15 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1ubz s PRO 71 CO 0.01 -1.94 0.00 0.41 -0.33 0.00 0.00 177.00 175.15 1ubz n GLY 72 N 0.36 0.25 3.56 0.52 0.00 -1.26 -4.87 105.19 103.75 1ubz n GLY 72 Ca 0.13 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.65 1ubz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubz n ALA 73 N 0.97 -1.22 0.09 4.61 0.00 -1.17 -4.89 120.51 118.90 1ubz n ALA 73 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.94 1ubz n ALA 73 Cb 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1ubz n ALA 73 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ubz n VAL 74 N 1.59 0.00 -3.83 0.00 0.24 -0.46 -5.01 118.33 110.87 1ubz n VAL 74 Ca 0.16 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.34 61.80 1ubz n VAL 74 Cb 0.22 0.82 0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1ubz n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ubz n ASN 75 N -1.24 -4.34 0.11 -1.34 5.15 -1.03 -4.86 115.26 107.72 1ubz n ASN 75 Ca 0.00 -1.10 0.11 0.00 -0.60 0.00 0.00 54.58 53.00 1ubz n ASN 75 Cb 0.06 -2.87 0.47 0.00 -0.53 0.00 0.00 39.78 36.90 1ubz n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ubz n ALA 76 N -4.44 1.67 1.02 5.20 0.00 -0.14 -1.75 120.51 122.08 1ubz n ALA 76 Ca -0.13 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1ubz n ALA 76 Cb 0.60 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.69 1ubz n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubz n HIS 78 N -0.95 -1.91 -4.04 0.00 -0.00 -0.72 -4.96 115.22 102.65 1ubz n HIS 78 Ca 0.07 0.72 -0.08 0.00 -0.00 0.00 0.00 57.72 58.43 1ubz n HIS 78 Cb 0.38 -4.00 -0.10 0.00 -0.00 0.00 0.00 29.99 26.27 1ubz n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ubz s LEU 79 N -6.56 2.33 0.05 2.41 1.43 -1.26 -5.07 118.68 112.01 1ubz s LEU 79 Ca 0.17 -0.79 -0.24 0.00 -1.03 0.00 0.00 54.13 52.24 1ubz s LEU 79 Cb -0.05 0.22 -0.06 0.00 0.03 0.00 0.00 46.19 46.33 1ubz s LEU 79 CO 0.83 -0.49 0.73 -0.55 0.23 0.00 0.00 176.35 177.10 1ubz s SER 80 N -2.37 7.19 0.55 2.29 0.15 -1.26 -1.20 113.70 119.05 1ubz s SER 80 Ca -0.02 1.42 0.37 0.00 0.70 0.00 0.00 55.95 58.42 1ubz s SER 80 Cb 0.01 -2.45 1.99 0.00 -1.71 0.00 0.00 66.02 63.86 1ubz s SER 80 CO -0.07 0.06 2.12 0.00 1.20 0.00 0.00 173.24 176.55 1ubz h SER 82 N 0.00 0.00 0.33 0.00 4.64 -1.91 -1.94 113.55 114.66 1ubz h SER 82 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ubz h SER 82 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ubz h SER 82 CO 0.00 0.34 -0.04 0.00 -0.87 0.00 0.00 176.83 176.26 1ubz h ALA 83 N 1.66 1.14 -0.20 5.18 0.00 -1.12 0.11 119.26 126.02 1ubz h ALA 83 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ubz h ALA 83 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ubz h ALA 83 CO 0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1ubz n LEU 84 N -3.32 1.75 -0.37 0.00 4.32 -0.73 -3.54 117.00 115.11 1ubz n LEU 84 Ca -0.02 -0.75 0.04 0.00 -0.02 0.00 0.00 56.01 55.26 1ubz n LEU 84 Cb 0.17 -0.13 0.10 0.00 -1.62 0.00 0.00 43.42 41.95 1ubz n LEU 84 CO 0.25 0.38 0.58 0.18 -1.22 0.00 0.00 177.39 177.56 1ubz n LEU 85 N 0.39 2.62 -4.88 2.23 4.32 0.02 -3.34 117.00 118.36 1ubz n LEU 85 Ca 0.16 -2.20 -0.31 0.00 -0.02 0.00 0.00 56.01 53.64 1ubz n LEU 85 Cb 0.33 -0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 41.90 1ubz n LEU 85 CO 0.12 0.63 0.34 -1.10 -1.22 0.00 0.00 177.39 176.17 1ubz s GLN 86 N -1.36 3.80 0.19 3.23 -0.21 -1.23 -4.58 119.66 119.50 1ubz s GLN 86 Ca 0.17 0.37 -0.08 0.00 0.02 0.00 0.00 55.36 55.84 1ubz s GLN 86 Cb 0.11 -2.51 0.11 0.00 1.00 0.00 0.00 33.01 31.73 1ubz s GLN 86 CO 0.08 0.13 1.66 -0.44 -2.12 0.00 0.00 175.29 174.60 1ubz h ASP 87 N 1.82 1.01 -2.98 5.90 5.19 -1.92 -3.40 116.42 122.04 1ubz h ASP 87 Ca -0.47 -0.28 -0.57 0.00 -0.62 0.00 0.00 57.03 55.09 1ubz h ASP 87 Cb 1.18 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.38 1ubz h ASP 87 CO 0.66 1.06 0.98 0.21 -3.12 0.00 0.00 179.24 179.03 1ubz s ASN 88 N -6.59 6.71 0.00 6.45 3.84 -1.26 -4.90 114.94 119.20 1ubz s ASN 88 Ca -0.11 1.48 0.15 0.00 0.21 0.00 0.00 52.86 54.58 1ubz s ASN 88 Cb 0.14 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.73 1ubz s ASN 88 CO 0.85 -1.00 1.35 2.30 -2.79 0.00 0.00 177.10 177.81 1ubz n ILE 89 N 5.94 0.55 -0.26 -5.21 -5.35 -1.26 -4.36 119.36 109.41 1ubz n ILE 89 Ca 0.15 -0.57 0.02 0.00 -0.27 0.00 0.00 62.75 62.09 1ubz n ILE 89 Cb 0.46 0.32 0.15 0.00 -1.74 0.00 0.00 39.64 38.83 1ubz n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubz h ALA 90 N 3.85 1.03 0.70 -1.28 0.00 -1.96 0.14 119.26 121.75 1ubz h ALA 90 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ubz h ALA 90 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ubz h ALA 90 CO 0.00 -0.06 -0.47 0.38 0.00 0.00 0.00 179.25 179.10 1ubz h ASP 91 N 0.60 -1.20 -0.81 0.00 2.03 -1.88 0.28 116.42 115.44 1ubz h ASP 91 Ca 0.37 0.07 0.09 0.00 -0.73 0.00 0.00 57.03 56.83 1ubz h ASP 91 Cb 0.42 0.36 -0.06 0.00 -0.83 0.00 0.00 39.33 39.23 1ubz h ASP 91 CO -0.29 -0.70 0.53 0.00 -1.03 0.00 0.00 179.24 177.74 1ubz h ALA 92 N -0.98 1.70 -0.34 4.15 0.00 -1.69 -1.86 119.26 120.25 1ubz h ALA 92 Ca -0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ubz h ALA 92 Cb 0.91 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ubz h ALA 92 CO 0.07 0.14 -0.15 0.28 0.00 0.00 0.00 179.25 179.59 1ubz h VAL 93 N 0.80 1.29 -0.77 0.00 2.07 -0.49 0.31 116.25 119.45 1ubz h VAL 93 Ca 0.37 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1ubz h VAL 93 Cb 0.38 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1ubz h VAL 93 CO -0.14 0.41 0.43 0.00 0.02 0.00 0.00 177.57 178.28 1ubz h ALA 94 N 0.78 1.30 -0.19 1.67 0.00 -0.17 -1.72 119.26 120.93 1ubz h ALA 94 Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1ubz h ALA 94 Cb 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ubz h ALA 94 CO 0.05 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 179.46 1ubz h ALA 96 N 0.59 1.92 -0.25 0.00 0.00 -0.58 0.40 119.26 121.33 1ubz h ALA 96 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1ubz h ALA 96 Cb 1.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ubz h ALA 96 CO 0.09 0.07 -0.48 0.87 0.00 0.00 0.00 179.25 179.80 1ubz h LYS 97 N 0.05 0.68 0.04 0.00 1.57 -1.20 -1.84 116.57 115.87 1ubz h LYS 97 Ca 0.01 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1ubz h LYS 97 Cb 0.06 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ubz h LYS 97 CO 0.00 1.01 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.78 1ubz h ARG 98 N 0.54 -0.05 -0.65 3.15 9.65 -0.57 -2.99 114.38 123.45 1ubz h ARG 98 Ca 0.03 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.04 1ubz h ARG 98 Cb 1.03 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 29.53 1ubz h ARG 98 CO 0.10 0.17 0.12 0.28 2.80 0.00 0.00 179.97 183.44 1ubz h VAL 99 N -0.27 0.58 0.00 0.20 2.07 -0.90 -1.80 116.25 116.12 1ubz h VAL 99 Ca -0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ubz h VAL 99 Cb 0.25 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1ubz h VAL 99 CO 0.01 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.97 1ubz n VAL 100 N -5.16 0.18 0.52 2.57 0.24 -0.70 -2.72 118.33 113.26 1ubz n VAL 100 Ca 0.11 0.05 0.06 0.00 -2.04 0.00 0.00 64.34 62.51 1ubz n VAL 100 Cb 0.37 -0.73 0.19 0.00 -1.47 0.00 0.00 33.84 32.20 1ubz n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ubz n ARG 101 N -1.12 2.23 -2.88 7.34 1.74 -0.68 -4.23 116.66 119.06 1ubz n ARG 101 Ca 0.12 -1.55 -0.25 0.00 -0.77 0.00 0.00 57.85 55.40 1ubz n ARG 101 Cb 0.10 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.09 1ubz n ARG 101 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ubz s GLU 102 N -1.56 3.27 0.27 5.56 0.41 -1.10 -4.97 118.70 120.58 1ubz s GLU 102 Ca 0.28 -0.18 -0.01 0.00 -0.41 0.00 0.00 54.97 54.65 1ubz s GLU 102 Cb 0.16 -2.48 0.61 0.00 -1.78 0.00 0.00 34.13 30.64 1ubz s GLU 102 CO 0.17 -0.23 1.63 -1.35 -0.49 0.00 0.00 175.26 174.99 1ubz h PRO 103 N 0.33 0.14 -0.00 0.39 0.11 -1.91 -1.52 132.00 129.55 1ubz h PRO 103 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ubz h PRO 103 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ubz h PRO 103 CO 0.60 0.09 -0.07 0.00 -0.21 0.00 0.00 178.00 178.41 1ubz n GLN 104 N -5.30 0.12 0.00 1.05 10.64 -1.26 -5.00 117.38 117.63 1ubz n GLN 104 Ca 0.19 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 1ubz n GLN 104 Cb 0.61 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1ubz n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ubz n GLY 105 N 1.45 3.36 0.03 2.61 0.00 -0.58 -1.88 105.19 110.18 1ubz n GLY 105 Ca 0.09 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1ubz n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ubz n ILE 106 N 0.00 1.26 0.83 -0.61 3.06 -1.26 -2.11 119.36 120.54 1ubz n ILE 106 Ca 0.00 0.35 0.08 0.00 -2.50 0.00 0.00 62.75 60.68 1ubz n ILE 106 Cb 0.00 -1.20 0.44 0.00 0.54 0.00 0.00 39.64 39.42 1ubz n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1ubz n ARG 107 N -1.64 0.27 0.25 9.51 1.74 -0.79 -2.31 116.66 123.70 1ubz n ARG 107 Ca 0.02 0.11 0.17 0.00 -0.77 0.00 0.00 57.85 57.39 1ubz n ARG 107 Cb 0.12 -1.50 0.83 0.00 -1.02 0.00 0.00 32.46 30.89 1ubz n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ubz h ALA 108 N 2.83 1.00 -3.15 7.54 0.00 -1.62 -3.37 119.26 122.51 1ubz h ALA 108 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1ubz h ALA 108 Cb 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.61 1ubz h ALA 108 CO 0.00 0.00 -0.56 -1.58 0.00 0.00 0.00 179.25 177.11 1ubz s TRP 109 N -3.76 3.49 -0.78 0.00 0.51 -0.98 -4.98 118.94 112.45 1ubz s TRP 109 Ca -0.01 -2.17 0.18 0.00 -2.12 0.00 0.00 56.10 51.98 1ubz s TRP 109 Cb 0.10 -2.97 0.77 0.00 -0.81 0.00 0.00 33.47 30.55 1ubz s TRP 109 CO 0.41 -0.92 1.57 1.33 -0.51 0.00 0.00 176.95 178.82 1ubz n VAL 110 N 4.65 0.94 0.21 4.03 0.24 -1.26 -1.44 118.33 125.71 1ubz n VAL 110 Ca -0.06 0.24 0.09 0.00 -2.04 0.00 0.00 64.34 62.58 1ubz n VAL 110 Cb 0.42 -1.07 0.45 0.00 -1.47 0.00 0.00 33.84 32.16 1ubz n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ubz h ALA 111 N 2.40 1.05 -0.13 2.33 0.00 -1.94 0.29 119.26 123.25 1ubz h ALA 111 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1ubz h ALA 111 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ubz h ALA 111 CO 0.00 0.33 -0.32 2.35 0.00 0.00 0.00 179.25 181.61 1ubz h TRP 112 N 0.00 0.57 0.10 0.00 7.01 -1.58 0.36 115.95 122.41 1ubz h TRP 112 Ca -0.00 -0.22 0.01 0.00 2.11 0.00 0.00 58.89 60.79 1ubz h TRP 112 Cb 0.75 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 1ubz h TRP 112 CO 0.00 0.94 -0.18 0.00 -2.79 0.00 0.00 178.44 176.41 1ubz h ARG 113 N 0.04 -0.34 -0.42 2.65 3.08 -1.24 0.42 114.38 118.57 1ubz h ARG 113 Ca -0.00 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1ubz h ARG 113 Cb 0.93 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1ubz h ARG 113 CO 0.07 -0.22 0.04 -0.91 -1.07 0.00 0.00 179.97 177.88 1ubz h ASN 114 N -0.35 0.70 -0.01 7.04 2.35 -0.43 -3.30 115.58 121.57 1ubz h ASN 114 Ca 0.03 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1ubz h ASN 114 Cb 0.37 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ubz h ASN 114 CO -0.10 0.80 -0.13 0.54 -1.65 0.00 0.00 177.43 176.89 1ubz n ARG 115 N -4.46 1.46 0.00 0.81 5.12 0.11 -4.82 116.66 114.88 1ubz n ARG 115 Ca -0.00 -0.83 0.00 0.00 -1.93 0.00 0.00 57.85 55.09 1ubz n ARG 115 Cb 0.26 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 1ubz n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ubz s GLN 117 N -1.76 4.12 -1.45 0.00 0.74 0.32 -2.89 119.66 118.74 1ubz s GLN 117 Ca 0.00 2.58 -0.06 0.00 0.05 0.00 0.00 55.36 57.93 1ubz s GLN 117 Cb 0.00 -3.03 0.01 0.00 1.10 0.00 0.00 33.01 31.09 1ubz s GLN 117 CO 0.00 -0.65 0.82 0.09 -0.55 0.00 0.00 175.29 174.99 1ubz n ASN 118 N 2.46 -6.16 -3.87 6.67 3.02 -1.26 -4.95 115.26 111.17 1ubz n ASN 118 Ca 0.09 -0.38 -0.11 0.00 -0.03 0.00 0.00 54.58 54.16 1ubz n ASN 118 Cb 0.37 -4.90 -0.09 0.00 -0.61 0.00 0.00 39.78 34.55 1ubz n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ubz s ARG 119 N -5.91 0.60 -0.23 3.52 0.52 -1.14 -5.11 118.95 111.19 1ubz s ARG 119 Ca 0.40 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.76 1ubz s ARG 119 Cb -0.18 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1ubz s ARG 119 CO 0.50 -0.16 1.11 0.34 0.02 0.00 0.00 175.30 177.11 1ubz s ASP 120 N -1.83 7.03 0.00 0.23 3.68 -1.26 -4.89 116.67 119.63 1ubz s ASP 120 Ca -0.09 1.41 0.12 0.00 2.13 0.00 0.00 52.55 56.12 1ubz s ASP 120 Cb -0.03 -2.54 0.28 0.00 -1.45 0.00 0.00 42.92 39.18 1ubz s ASP 120 CO -0.02 -0.73 1.19 1.33 0.13 0.00 0.00 175.17 177.07 1ubz n VAL 121 N 5.44 0.77 0.25 1.11 0.24 -1.26 -4.58 118.33 120.30 1ubz n VAL 121 Ca 0.13 -0.89 0.11 0.00 -2.04 0.00 0.00 64.34 61.65 1ubz n VAL 121 Cb 0.46 0.67 0.53 0.00 -1.47 0.00 0.00 33.84 34.03 1ubz n VAL 121 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ubz n ARG 122 N 0.64 0.15 0.26 7.34 5.12 -1.26 -1.55 116.66 127.36 1ubz n ARG 122 Ca 0.12 0.55 0.10 0.00 -1.93 0.00 0.00 57.85 56.69 1ubz n ARG 122 Cb 0.41 -1.91 0.71 0.00 -1.16 0.00 0.00 32.46 30.52 1ubz n ARG 122 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 1ubz h GLN 123 N 0.00 0.00 0.00 5.56 -0.00 -1.96 -2.09 115.11 116.62 1ubz h GLN 123 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1ubz h GLN 123 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.62 1ubz h GLN 123 CO 0.00 0.06 -0.07 1.88 -0.00 0.00 0.00 178.83 180.70 1ubz h TYR 124 N 0.00 0.00 -0.05 0.06 0.05 -1.61 -3.08 116.97 112.33 1ubz h TYR 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ubz h TYR 124 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1ubz h TYR 124 CO 0.00 0.07 0.00 1.33 -1.05 0.00 0.00 178.16 178.51 1ubz n VAL 125 N -3.22 0.15 -1.97 -2.88 0.24 -0.81 -4.81 118.33 105.03 1ubz n VAL 125 Ca 0.00 -0.58 -0.42 0.00 -2.04 0.00 0.00 64.34 61.31 1ubz n VAL 125 Cb 0.32 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 1ubz n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ubz s GLN 126 N -0.77 4.24 0.00 7.34 -1.52 -1.05 -2.52 119.66 125.38 1ubz s GLN 126 Ca 0.11 2.33 0.00 0.00 -1.95 0.00 0.00 55.36 55.85 1ubz s GLN 126 Cb 0.08 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 1ubz s GLN 126 CO 0.11 -0.53 0.00 0.41 -0.25 0.00 0.00 175.29 175.03 1ubz n GLY 127 N 3.17 0.94 0.04 3.09 0.00 -1.26 -4.88 105.19 106.29 1ubz n GLY 127 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1ubz n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubz n GLY 129 N 1.41 -0.00 0.00 0.00 0.00 -1.26 -4.84 105.19 100.50 1ubz n GLY 129 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ubz n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65