#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb5 s VAL 2 N 0.00 3.97 0.53 0.58 1.01 -1.26 -0.95 120.40 124.27 1bb5 s VAL 2 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1bb5 s VAL 2 Cb 0.00 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 1bb5 s VAL 2 CO 0.00 0.14 1.06 -0.36 0.00 0.00 0.00 175.10 175.94 1bb5 s PHE 3 N 1.51 2.93 0.24 5.22 0.40 -0.28 -4.99 117.98 123.01 1bb5 s PHE 3 Ca 0.03 1.55 -0.16 0.00 -0.60 0.00 0.00 56.93 57.75 1bb5 s PHE 3 Cb -0.17 -3.09 -0.08 0.00 0.51 0.00 0.00 43.02 40.19 1bb5 s PHE 3 CO 0.02 -1.05 0.68 -2.00 0.70 0.00 0.00 175.22 173.57 1bb5 s GLU 4 N -3.49 4.08 0.03 0.44 -6.30 -1.26 -4.85 118.70 107.35 1bb5 s GLU 4 Ca 0.67 0.68 -0.07 0.00 -2.50 0.00 0.00 54.97 53.75 1bb5 s GLU 4 Cb -0.18 -2.72 -0.02 0.00 0.00 0.00 0.00 34.13 31.22 1bb5 s GLU 4 CO 0.26 0.32 1.12 -0.09 0.02 0.00 0.00 175.26 176.90 1bb5 h ARG 5 N 2.97 -0.04 0.00 4.30 2.43 -1.96 -1.22 114.38 120.87 1bb5 h ARG 5 Ca -0.48 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1bb5 h ARG 5 Cb 1.18 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1bb5 h ARG 5 CO 0.66 -0.02 -0.06 0.00 -1.51 0.00 0.00 179.97 179.03 1bb5 h GLU 7 N 0.00 0.69 -0.26 0.00 4.81 -1.75 -1.46 114.58 116.61 1bb5 h GLU 7 Ca -0.00 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1bb5 h GLU 7 Cb 0.12 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1bb5 h GLU 7 CO 0.01 0.64 0.00 1.25 -0.73 0.00 0.00 179.01 180.18 1bb5 h LEU 8 N 0.60 0.45 -0.77 1.64 6.46 -0.43 -2.15 115.31 121.11 1bb5 h LEU 8 Ca 0.15 -0.30 0.11 0.00 -0.12 0.00 0.00 57.88 57.72 1bb5 h LEU 8 Cb 0.21 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 39.94 1bb5 h LEU 8 CO -0.01 0.64 0.39 0.00 -0.62 0.00 0.00 178.44 178.84 1bb5 h ALA 9 N 0.82 1.10 -0.30 1.25 0.00 -1.05 0.37 119.26 121.46 1bb5 h ALA 9 Ca 0.07 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1bb5 h ALA 9 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1bb5 h ALA 9 CO 0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 179.25 178.85 1bb5 h ARG 10 N 0.63 0.70 -0.37 0.00 3.08 -1.18 -2.13 114.38 115.11 1bb5 h ARG 10 Ca 0.40 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1bb5 h ARG 10 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1bb5 h ARG 10 CO -0.30 0.95 -0.09 1.15 -1.07 0.00 0.00 179.97 180.61 1bb5 h THR 11 N 0.58 1.28 -0.49 2.04 2.02 -0.60 -1.37 112.91 116.36 1bb5 h THR 11 Ca 0.06 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 1bb5 h THR 11 Cb 0.89 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1bb5 h THR 11 CO 0.08 0.38 0.04 -0.07 0.37 0.00 0.00 175.52 176.33 1bb5 h LEU 12 N 0.51 0.82 -0.73 2.58 3.38 -0.94 -1.47 115.31 119.46 1bb5 h LEU 12 Ca 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1bb5 h LEU 12 Cb 0.60 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1bb5 h LEU 12 CO 0.04 0.90 0.38 0.50 0.09 0.00 0.00 178.44 180.35 1bb5 h LYS 13 N 0.71 1.02 0.00 1.13 3.64 -1.34 -0.33 116.57 121.40 1bb5 h LYS 13 Ca 0.14 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1bb5 h LYS 13 Cb 0.45 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1bb5 h LYS 13 CO 0.02 0.77 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.70 1bb5 h ARG 14 N 1.01 0.00 -0.65 1.90 2.43 -1.00 -2.42 114.38 115.64 1bb5 h ARG 14 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1bb5 h ARG 14 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1bb5 h ARG 14 CO -0.04 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 179.89 1bb5 n LEU 15 N -3.77 4.84 -0.99 3.80 4.77 -0.58 -4.93 117.00 120.15 1bb5 n LEU 15 Ca -0.02 -2.46 -0.08 0.00 -0.03 0.00 0.00 56.01 53.43 1bb5 n LEU 15 Cb 0.29 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1bb5 n LEU 15 CO 0.33 0.57 -0.09 0.61 -1.33 0.00 0.00 177.39 177.49 1bb5 n GLY 16 N 0.57 0.07 0.12 -0.72 0.00 -0.91 -4.96 105.19 99.35 1bb5 n GLY 16 Ca 0.23 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1bb5 n GLY 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1bb5 h MET 17 N -0.09 0.33 -5.37 1.61 4.05 -1.26 -3.40 114.93 110.80 1bb5 h MET 17 Ca -0.19 -0.56 -0.28 0.00 -0.28 0.00 0.00 59.70 58.38 1bb5 h MET 17 Cb 1.14 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 32.13 1bb5 h MET 17 CO 0.23 1.23 1.08 -3.47 0.23 0.00 0.00 176.91 176.21 1bb5 n ASP 18 N -3.54 1.48 0.00 1.39 -0.08 -1.26 -1.26 116.55 113.27 1bb5 n ASP 18 Ca -0.15 -0.81 0.00 0.00 -1.51 0.00 0.00 54.79 52.32 1bb5 n ASP 18 Cb 1.05 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 43.09 1bb5 n ASP 18 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bb5 n GLY 19 N 6.31 0.77 3.68 0.27 0.00 0.15 -4.89 105.19 111.48 1bb5 n GLY 19 Ca 0.48 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 1bb5 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bb5 n TYR 20 N -2.44 2.55 -2.36 1.61 9.36 -0.39 -0.63 117.16 124.86 1bb5 n TYR 20 Ca 0.00 -0.17 -0.16 0.00 3.32 0.00 0.00 57.90 60.89 1bb5 n TYR 20 Cb 0.00 -2.73 -0.01 0.00 -0.63 0.00 0.00 39.34 35.96 1bb5 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bb5 n ARG 21 N 6.09 -1.94 -0.91 2.98 3.00 -1.26 -0.37 116.66 124.26 1bb5 n ARG 21 Ca 0.19 0.80 0.00 0.00 -0.01 0.00 0.00 57.85 58.83 1bb5 n ARG 21 Cb 0.37 -5.41 0.00 0.00 0.00 0.00 0.00 32.46 27.42 1bb5 n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bb5 n GLY 22 N -0.86 0.81 3.68 -0.13 0.00 0.20 -5.03 105.19 103.86 1bb5 n GLY 22 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1bb5 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bb5 s ILE 23 N -3.19 5.26 0.70 -0.61 1.01 0.50 -4.88 121.20 119.99 1bb5 s ILE 23 Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 1bb5 s ILE 23 Cb 0.00 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1bb5 s ILE 23 CO 0.00 0.30 1.08 -0.94 0.00 0.00 0.00 174.94 175.38 1bb5 s SER 24 N 0.91 5.07 0.24 3.58 1.04 -1.26 -0.68 113.70 122.60 1bb5 s SER 24 Ca 0.16 1.80 -0.06 0.00 0.48 0.00 0.00 55.95 58.33 1bb5 s SER 24 Cb -0.14 -2.52 0.24 0.00 0.10 0.00 0.00 66.02 63.69 1bb5 s SER 24 CO 0.06 -1.65 1.88 0.25 0.98 0.00 0.00 173.24 174.76 1bb5 h LEU 25 N -0.54 1.13 -1.09 2.42 5.85 -1.90 -1.68 115.31 119.50 1bb5 h LEU 25 Ca -0.45 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 1bb5 h LEU 25 Cb 1.23 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1bb5 h LEU 25 CO 0.54 0.88 0.49 0.00 -0.34 0.00 0.00 178.44 180.02 1bb5 h ALA 26 N 1.31 1.32 -0.45 1.25 0.00 -1.93 0.49 119.26 121.25 1bb5 h ALA 26 Ca 0.33 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1bb5 h ALA 26 Cb -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1bb5 h ALA 26 CO -0.06 0.59 -0.08 -0.91 0.00 0.00 0.00 179.25 178.79 1bb5 h ASN 27 N 1.14 0.85 -0.55 0.00 2.35 -1.69 0.16 115.58 117.84 1bb5 h ASN 27 Ca 0.30 -0.35 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1bb5 h ASN 27 Cb -0.04 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1bb5 h ASN 27 CO -0.06 0.99 0.04 -0.50 -1.65 0.00 0.00 177.43 176.26 1bb5 h TRP 28 N 0.68 1.05 -0.45 1.19 -0.00 -0.50 -1.05 115.95 116.88 1bb5 h TRP 28 Ca 0.12 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 1bb5 h TRP 28 Cb 0.61 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.46 1bb5 h TRP 28 CO 0.05 0.92 0.18 0.52 -0.00 0.00 0.00 178.44 180.11 1bb5 h MET 29 N 0.91 0.66 -0.58 0.49 2.86 0.23 -0.95 114.93 118.55 1bb5 h MET 29 Ca 0.17 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1bb5 h MET 29 Cb 0.48 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1bb5 h MET 29 CO 0.02 0.60 0.22 0.00 1.06 0.00 0.00 176.91 178.82 1bb5 h LEU 31 N 0.80 -0.09 -0.83 0.00 6.46 -0.89 -1.66 115.31 119.10 1bb5 h LEU 31 Ca 0.19 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1bb5 h LEU 31 Cb 0.21 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1bb5 h LEU 31 CO -0.01 -0.03 0.09 0.00 -0.62 0.00 0.00 178.44 177.86 1bb5 h ALA 32 N 1.08 1.04 0.34 1.25 0.00 -1.04 0.21 119.26 122.14 1bb5 h ALA 32 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1bb5 h ALA 32 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1bb5 h ALA 32 CO -0.09 0.62 -0.22 -0.22 0.00 0.00 0.00 179.25 179.34 1bb5 h LYS 33 N 0.91 -0.52 0.00 0.00 3.11 -0.94 -1.77 116.57 117.36 1bb5 h LYS 33 Ca 0.18 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1bb5 h LYS 33 Cb 0.40 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 1bb5 h LYS 33 CO 0.01 -0.35 -0.01 -1.49 -2.81 0.00 0.00 179.45 174.81 1bb5 h TRP 34 N -0.54 0.00 0.13 1.91 4.06 -1.25 0.11 115.95 120.38 1bb5 h TRP 34 Ca -0.03 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.66 1bb5 h TRP 34 Cb 0.45 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1bb5 h TRP 34 CO -0.10 0.00 -1.25 0.93 -3.56 0.00 0.00 178.44 174.46 1bb5 h GLU 35 N 0.00 0.28 0.00 0.49 4.39 -0.88 -3.44 114.58 115.42 1bb5 h GLU 35 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1bb5 h GLU 35 Cb 0.85 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1bb5 h GLU 35 CO 0.00 1.23 0.00 -1.13 -1.16 0.00 0.00 179.01 177.95 1bb5 n SER 36 N -3.96 0.11 -0.96 1.42 3.41 -0.71 -4.85 113.62 108.07 1bb5 n SER 36 Ca -0.21 -0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 57.75 1bb5 n SER 36 Cb 0.89 0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.94 1bb5 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bb5 n GLY 37 N 0.10 0.06 2.37 5.00 0.00 0.37 -2.66 105.19 110.42 1bb5 n GLY 37 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 1bb5 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bb5 n TYR 38 N -3.95 -0.32 -3.52 1.61 4.01 -1.14 -4.77 117.16 109.08 1bb5 n TYR 38 Ca -0.10 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.23 1bb5 n TYR 38 Cb 0.56 -2.85 -0.10 0.00 -0.31 0.00 0.00 39.34 36.64 1bb5 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1bb5 s ASN 39 N -2.61 6.00 0.31 7.72 2.47 -1.09 -1.13 114.94 126.62 1bb5 s ASN 39 Ca 0.00 -0.70 0.25 0.00 0.42 0.00 0.00 52.86 52.83 1bb5 s ASN 39 Cb 0.00 -2.12 1.09 0.00 -1.45 0.00 0.00 41.25 38.76 1bb5 s ASN 39 CO 0.00 -0.34 1.75 0.71 -3.72 0.00 0.00 177.10 175.50 1bb5 h THR 40 N 5.61 0.00 -0.39 -5.21 1.35 -1.36 -2.71 112.91 110.20 1bb5 h THR 40 Ca -0.29 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1bb5 h THR 40 Cb 1.13 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1bb5 h THR 40 CO 0.68 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.49 1bb5 n ARG 41 N -2.37 2.48 -2.06 4.72 1.74 -1.26 -4.12 116.66 115.78 1bb5 n ARG 41 Ca 0.01 -2.24 -0.41 0.00 -0.77 0.00 0.00 57.85 54.44 1bb5 n ARG 41 Cb 0.21 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1bb5 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb5 s ALA 42 N -1.50 3.62 0.00 7.54 0.00 -1.03 -4.82 121.76 125.57 1bb5 s ALA 42 Ca 0.39 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1bb5 s ALA 42 Cb 0.23 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1bb5 s ALA 42 CO 0.32 -0.69 -0.02 0.95 0.00 0.00 0.00 175.76 176.32 1bb5 s THR 43 N 0.24 0.11 -0.15 0.00 -4.23 -1.26 -0.75 115.64 109.61 1bb5 s THR 43 Ca 0.60 -0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 1bb5 s THR 43 Cb -0.40 -0.13 0.04 0.00 1.34 0.00 0.00 72.50 73.35 1bb5 s THR 43 CO 0.40 -0.06 -0.01 0.21 -0.54 0.00 0.00 174.62 174.62 1bb5 s ASN 44 N -0.28 2.51 -0.05 3.99 2.47 -0.48 -4.94 114.94 118.15 1bb5 s ASN 44 Ca -0.02 -0.55 -0.26 0.00 0.42 0.00 0.00 52.86 52.45 1bb5 s ASN 44 Cb -0.02 -0.67 -0.03 0.00 -1.45 0.00 0.00 41.25 39.07 1bb5 s ASN 44 CO -0.00 -0.23 0.81 -0.47 -3.72 0.00 0.00 177.10 173.49 1bb5 s TYR 45 N 1.80 3.60 -0.53 0.43 5.04 -1.26 -0.58 117.35 125.84 1bb5 s TYR 45 Ca 0.01 1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 55.96 1bb5 s TYR 45 Cb -0.15 -2.93 0.14 0.00 0.35 0.00 0.00 41.96 39.37 1bb5 s TYR 45 CO -0.07 0.03 0.42 -0.80 -1.34 0.00 0.00 175.55 173.79 1bb5 s ASN 46 N 0.90 5.82 0.47 4.32 0.01 0.78 -4.94 114.94 122.29 1bb5 s ASN 46 Ca 0.43 -2.09 0.24 0.00 -0.71 0.00 0.00 52.86 50.73 1bb5 s ASN 46 Cb -0.19 -2.04 1.28 0.00 0.41 0.00 0.00 41.25 40.72 1bb5 s ASN 46 CO 0.21 -0.66 1.87 0.00 -1.51 0.00 0.00 177.10 177.01 1bb5 h ALA 47 N 8.27 2.51 -0.03 0.60 0.00 -1.94 -0.23 119.26 128.44 1bb5 h ALA 47 Ca -0.16 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bb5 h ALA 47 Cb 1.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1bb5 h ALA 47 CO 0.85 -0.79 -0.17 0.78 0.00 0.00 0.00 179.25 179.91 1bb5 h GLY 48 N 0.21 -1.37 -1.97 0.00 0.00 -1.94 -3.21 103.07 94.79 1bb5 h GLY 48 Ca 0.46 0.65 0.00 0.00 0.00 0.00 0.00 47.33 48.44 1bb5 h GLY 48 CO -0.10 -0.46 0.00 2.09 0.00 0.00 0.00 176.54 178.07 1bb5 n ASP 49 N -3.47 3.40 -1.11 0.19 5.68 -1.17 -4.96 116.55 115.11 1bb5 n ASP 49 Ca -0.02 -1.98 -0.14 0.00 -0.50 0.00 0.00 54.79 52.14 1bb5 n ASP 49 Cb 0.12 -0.34 -0.06 0.00 -1.14 0.00 0.00 41.12 39.70 1bb5 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1bb5 n ARG 50 N 1.09 -1.10 -3.09 0.11 1.74 -0.11 -4.50 116.66 110.81 1bb5 n ARG 50 Ca 0.18 1.00 -0.23 0.00 -0.77 0.00 0.00 57.85 58.03 1bb5 n ARG 50 Cb 0.52 -5.15 0.01 0.00 -1.02 0.00 0.00 32.46 26.81 1bb5 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1bb5 s SER 51 N -2.78 5.93 0.02 0.55 1.04 -1.19 -4.50 113.70 112.77 1bb5 s SER 51 Ca 0.00 0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.76 1bb5 s SER 51 Cb 0.00 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.49 1bb5 s SER 51 CO 0.00 -0.61 -0.13 -0.89 0.98 0.00 0.00 173.24 172.60 1bb5 s THR 52 N -2.49 1.01 -0.21 2.02 2.01 -1.26 -0.16 115.64 116.57 1bb5 s THR 52 Ca 0.47 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 1bb5 s THR 52 Cb -0.10 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1bb5 s THR 52 CO 0.37 0.06 0.20 -1.81 -0.69 0.00 0.00 174.62 172.75 1bb5 s ASP 53 N -0.89 6.25 -0.03 3.53 1.01 0.25 -1.32 116.67 125.47 1bb5 s ASP 53 Ca 0.02 0.28 0.04 0.00 0.71 0.00 0.00 52.55 53.60 1bb5 s ASP 53 Cb -0.07 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 1bb5 s ASP 53 CO 0.01 0.10 -0.14 -0.31 0.21 0.00 0.00 175.17 175.04 1bb5 s TYR 54 N 0.72 2.71 0.01 4.23 1.51 0.21 -1.38 117.35 125.35 1bb5 s TYR 54 Ca 0.11 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1bb5 s TYR 54 Cb -0.13 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1bb5 s TYR 54 CO 0.02 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.10 1bb5 n GLY 55 N 2.07 -1.82 0.30 0.71 0.00 0.07 -1.21 105.19 105.32 1bb5 n GLY 55 Ca -0.17 -1.32 0.14 0.00 0.00 0.00 0.00 46.02 44.67 1bb5 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bb5 h ILE 56 N -0.03 0.63 -0.08 -0.61 2.10 -1.69 -1.36 117.51 116.47 1bb5 h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1bb5 h ILE 56 Cb 0.03 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1bb5 h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1bb5 n PHE 57 N -4.00 0.09 -3.76 2.19 3.72 -1.26 -4.12 117.46 110.31 1bb5 n PHE 57 Ca -0.02 -0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 1bb5 n PHE 57 Cb 0.13 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1bb5 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bb5 n GLN 58 N 0.91 -2.17 -2.78 -1.08 1.13 -0.51 -4.92 117.38 107.95 1bb5 n GLN 58 Ca 0.10 0.46 -0.41 0.00 -1.94 0.00 0.00 57.00 55.21 1bb5 n GLN 58 Cb 0.41 -4.34 -0.03 0.00 0.11 0.00 0.00 30.24 26.39 1bb5 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bb5 s ILE 59 N -3.62 4.91 0.17 5.09 1.01 -0.35 -4.40 121.20 124.02 1bb5 s ILE 59 Ca 0.30 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.57 1bb5 s ILE 59 Cb -0.11 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 1bb5 s ILE 59 CO 0.86 0.18 1.13 0.21 0.00 0.00 0.00 174.94 177.32 1bb5 s ASN 60 N 0.96 7.21 0.00 3.58 3.84 -1.26 -0.62 114.94 128.65 1bb5 s ASN 60 Ca 0.49 2.12 0.22 0.00 0.21 0.00 0.00 52.86 55.90 1bb5 s ASN 60 Cb -0.20 -2.60 1.07 0.00 -0.55 0.00 0.00 41.25 38.96 1bb5 s ASN 60 CO 0.26 -0.27 1.71 -1.54 -2.79 0.00 0.00 177.10 174.47 1bb5 n SER 61 N 2.46 0.00 0.08 -4.21 3.41 -0.43 -1.94 113.62 113.00 1bb5 n SER 61 Ca 0.03 0.12 -0.20 0.00 -0.26 0.00 0.00 58.87 58.56 1bb5 n SER 61 Cb 0.46 -0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 1bb5 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bb5 h ARG 62 N 0.00 0.35 0.00 4.33 2.43 -1.85 -3.41 114.38 116.22 1bb5 h ARG 62 Ca 0.00 -0.59 -0.12 0.00 -0.81 0.00 0.00 59.98 58.46 1bb5 h ARG 62 Cb 0.25 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1bb5 h ARG 62 CO 0.00 1.24 -1.59 0.66 -1.51 0.00 0.00 179.97 178.77 1bb5 n TYR 63 N -3.55 0.00 -0.06 2.20 4.01 -1.22 0.40 117.16 118.94 1bb5 n TYR 63 Ca -0.19 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.44 1bb5 n TYR 63 Cb 1.06 -0.39 -0.05 0.00 -0.31 0.00 0.00 39.34 39.65 1bb5 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1bb5 n TRP 64 N -2.19 0.00 -4.43 -0.72 7.02 -0.82 -1.09 117.44 115.23 1bb5 n TRP 64 Ca -0.11 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.15 1bb5 n TRP 64 Cb 0.63 -0.47 -0.10 0.00 -2.42 0.00 0.00 31.31 28.95 1bb5 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bb5 s ASN 66 N -3.44 5.21 0.00 0.00 2.47 -0.36 -4.39 114.94 114.42 1bb5 s ASN 66 Ca 0.28 -0.14 0.04 0.00 0.42 0.00 0.00 52.86 53.46 1bb5 s ASN 66 Cb 0.00 -1.92 0.08 0.00 -1.45 0.00 0.00 41.25 37.96 1bb5 s ASN 66 CO 0.12 0.03 0.94 -0.90 -3.72 0.00 0.00 177.10 173.57 1bb5 n ASP 67 N 4.49 2.00 -0.55 -4.21 5.75 -1.26 -1.01 116.55 121.75 1bb5 n ASP 67 Ca -0.16 -1.74 -0.07 0.00 -0.01 0.00 0.00 54.79 52.80 1bb5 n ASP 67 Cb 0.52 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.52 1bb5 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bb5 n GLY 68 N -0.06 0.71 0.00 6.12 0.00 -1.26 -4.75 105.19 105.96 1bb5 n GLY 68 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bb5 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bb5 n LYS 69 N -0.40 0.85 -4.10 1.61 5.02 -1.26 -5.05 118.16 114.82 1bb5 n LYS 69 Ca -0.07 -0.76 -0.35 0.00 -2.02 0.00 0.00 58.31 55.11 1bb5 n LYS 69 Cb 0.54 -0.66 -0.13 0.00 -0.02 0.00 0.00 35.03 34.75 1bb5 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bb5 s THR 70 N -0.29 3.61 0.37 -0.18 2.01 -1.26 -4.88 115.64 115.02 1bb5 s THR 70 Ca 0.00 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 1bb5 s THR 70 Cb 0.00 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.80 1bb5 s THR 70 CO 0.00 0.44 1.26 -2.84 -0.69 0.00 0.00 174.62 172.79 1bb5 s PRO 71 N 1.09 4.15 -1.64 4.92 0.02 -1.26 -3.21 135.00 139.06 1bb5 s PRO 71 Ca 0.02 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1bb5 s PRO 71 Cb -0.15 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1bb5 s PRO 71 CO 0.00 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1bb5 n GLY 72 N 0.74 0.43 3.76 0.52 0.00 -1.26 -4.94 105.19 104.44 1bb5 n GLY 72 Ca 0.02 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1bb5 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb5 s ALA 73 N -2.79 3.01 -0.07 4.61 0.00 -1.20 -4.84 121.76 120.48 1bb5 s ALA 73 Ca 0.00 1.15 0.09 0.00 0.00 0.00 0.00 51.96 53.20 1bb5 s ALA 73 Cb 0.00 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 1bb5 s ALA 73 CO 0.00 -0.93 0.07 0.28 0.00 0.00 0.00 175.76 175.18 1bb5 n VAL 74 N -0.47 0.50 -3.80 0.00 0.31 0.16 -4.99 118.33 110.04 1bb5 n VAL 74 Ca 0.07 -0.36 -0.24 0.00 -0.01 0.00 0.00 64.34 63.80 1bb5 n VAL 74 Cb 0.46 -0.54 0.01 0.00 -0.91 0.00 0.00 33.84 32.86 1bb5 n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1bb5 n ASN 75 N -2.24 -1.39 0.29 4.52 5.15 -1.21 -4.88 115.26 115.50 1bb5 n ASN 75 Ca -0.12 -0.93 0.14 0.00 -0.60 0.00 0.00 54.58 53.07 1bb5 n ASN 75 Cb 0.69 -3.55 0.85 0.00 -0.53 0.00 0.00 39.78 37.24 1bb5 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bb5 h ALA 76 N 0.83 1.55 -0.00 5.20 0.00 -1.01 -0.36 119.26 125.47 1bb5 h ALA 76 Ca -0.63 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1bb5 h ALA 76 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1bb5 h ALA 76 CO 0.58 0.03 -0.21 0.00 0.00 0.00 0.00 179.25 179.65 1bb5 n HIS 78 N -1.33 -1.84 -3.74 0.00 -0.00 -0.15 -4.97 115.22 103.19 1bb5 n HIS 78 Ca 0.09 0.68 -0.13 0.00 -0.00 0.00 0.00 57.72 58.35 1bb5 n HIS 78 Cb 0.32 -3.85 -0.10 0.00 -0.00 0.00 0.00 29.99 26.36 1bb5 n HIS 78 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1bb5 s LEU 79 N -6.65 0.49 0.30 2.41 2.96 -1.26 -5.07 118.68 111.86 1bb5 s LEU 79 Ca 0.18 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.58 1bb5 s LEU 79 Cb -0.06 1.36 -0.10 0.00 0.50 0.00 0.00 46.19 47.89 1bb5 s LEU 79 CO 0.85 -0.14 1.25 -0.55 -1.32 0.00 0.00 176.35 176.43 1bb5 s SER 80 N 0.18 6.93 0.47 3.68 0.15 -1.26 -1.23 113.70 122.62 1bb5 s SER 80 Ca -0.00 2.54 0.32 0.00 0.70 0.00 0.00 55.95 59.51 1bb5 s SER 80 Cb -0.03 -2.64 1.66 0.00 -1.71 0.00 0.00 66.02 63.31 1bb5 s SER 80 CO 0.01 -0.42 1.98 0.00 1.20 0.00 0.00 173.24 176.00 1bb5 h SER 82 N 0.00 0.12 0.54 0.00 0.02 -1.90 -1.60 113.55 110.72 1bb5 h SER 82 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1bb5 h SER 82 Cb 0.09 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1bb5 h SER 82 CO 0.00 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 176.01 1bb5 n ALA 83 N -2.49 1.66 0.17 3.77 0.00 -0.80 -1.51 120.51 121.29 1bb5 n ALA 83 Ca -0.01 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1bb5 n ALA 83 Cb 0.29 -1.26 0.27 0.00 0.00 0.00 0.00 19.45 18.74 1bb5 n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bb5 n LEU 84 N -1.64 3.21 -0.28 0.00 4.32 -0.60 -3.98 117.00 118.02 1bb5 n LEU 84 Ca 0.03 -1.56 0.08 0.00 -0.02 0.00 0.00 56.01 54.55 1bb5 n LEU 84 Cb 0.18 -0.37 0.15 0.00 -1.62 0.00 0.00 43.42 41.77 1bb5 n LEU 84 CO 0.15 0.78 0.48 0.18 -1.22 0.00 0.00 177.39 177.75 1bb5 n LEU 85 N 1.27 2.33 -4.93 2.23 4.77 -0.57 -3.11 117.00 118.98 1bb5 n LEU 85 Ca 0.20 -3.22 -0.27 0.00 -0.03 0.00 0.00 56.01 52.69 1bb5 n LEU 85 Cb 0.52 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1bb5 n LEU 85 CO 0.14 0.90 0.07 -1.10 -1.33 0.00 0.00 177.39 176.07 1bb5 s GLN 86 N -2.80 3.53 0.22 3.23 -0.21 -1.26 -4.70 119.66 117.67 1bb5 s GLN 86 Ca 0.32 -0.31 -0.04 0.00 0.02 0.00 0.00 55.36 55.36 1bb5 s GLN 86 Cb 0.30 -2.79 0.22 0.00 1.00 0.00 0.00 33.01 31.74 1bb5 s GLN 86 CO -0.01 0.34 1.66 -0.44 -2.12 0.00 0.00 175.29 174.72 1bb5 h ASP 87 N 1.76 0.78 -3.38 5.90 5.19 -1.94 -3.39 116.42 121.33 1bb5 h ASP 87 Ca -0.48 -0.26 -0.58 0.00 -0.62 0.00 0.00 57.03 55.09 1bb5 h ASP 87 Cb 1.20 -0.21 -0.07 0.00 0.18 0.00 0.00 39.33 40.42 1bb5 h ASP 87 CO 0.66 0.95 0.78 0.21 -3.12 0.00 0.00 179.24 178.72 1bb5 s ASN 88 N -6.73 6.85 -0.07 6.45 3.84 -1.26 -4.91 114.94 119.11 1bb5 s ASN 88 Ca -0.09 0.90 0.11 0.00 0.21 0.00 0.00 52.86 53.99 1bb5 s ASN 88 Cb 0.13 -2.52 0.45 0.00 -0.55 0.00 0.00 41.25 38.76 1bb5 s ASN 88 CO 0.83 -0.88 1.30 2.30 -2.79 0.00 0.00 177.10 177.85 1bb5 n ILE 89 N 5.94 1.11 -0.28 -5.21 -5.35 -1.26 -4.46 119.36 109.85 1bb5 n ILE 89 Ca 0.11 -0.72 -0.01 0.00 -0.27 0.00 0.00 62.75 61.85 1bb5 n ILE 89 Cb 0.47 -0.02 0.11 0.00 -1.74 0.00 0.00 39.64 38.47 1bb5 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bb5 h ALA 90 N 3.54 1.04 -0.40 -1.28 0.00 -1.93 0.42 119.26 120.65 1bb5 h ALA 90 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1bb5 h ALA 90 Cb 0.98 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1bb5 h ALA 90 CO 0.14 0.25 0.05 -0.44 0.00 0.00 0.00 179.25 179.25 1bb5 h ASP 91 N 0.92 0.64 -0.76 0.00 5.19 -1.84 -2.06 116.42 118.51 1bb5 h ASP 91 Ca 0.33 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1bb5 h ASP 91 Cb 0.09 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.39 1bb5 h ASP 91 CO -0.14 0.75 0.40 0.00 -3.12 0.00 0.00 179.24 177.13 1bb5 h ALA 92 N 0.92 0.98 -0.59 3.45 0.00 -1.63 -2.05 119.26 120.33 1bb5 h ALA 92 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1bb5 h ALA 92 Cb 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1bb5 h ALA 92 CO 0.01 0.50 0.05 0.28 0.00 0.00 0.00 179.25 180.09 1bb5 h VAL 93 N 1.06 1.26 -0.33 0.00 2.07 -0.80 -0.08 116.25 119.42 1bb5 h VAL 93 Ca 0.27 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 1bb5 h VAL 93 Cb 0.06 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1bb5 h VAL 93 CO -0.04 0.39 -0.15 0.00 0.02 0.00 0.00 177.57 177.79 1bb5 h ALA 94 N 1.12 1.13 -0.04 1.67 0.00 -1.03 -1.66 119.26 120.44 1bb5 h ALA 94 Ca 0.18 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1bb5 h ALA 94 Cb 0.47 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1bb5 h ALA 94 CO 0.02 0.55 -0.93 0.00 0.00 0.00 0.00 179.25 178.88 1bb5 h LEU 96 N 0.39 0.76 -1.26 0.00 6.46 -0.81 0.85 115.31 121.70 1bb5 h LEU 96 Ca -0.09 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.56 1bb5 h LEU 96 Cb 1.57 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 1bb5 h LEU 96 CO 0.18 0.58 -0.21 0.11 -0.62 0.00 0.00 178.44 178.48 1bb5 h LYS 97 N 0.88 0.24 -0.04 1.25 1.57 -1.26 -1.92 116.57 117.28 1bb5 h LYS 97 Ca 0.23 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 1bb5 h LYS 97 Cb -0.03 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1bb5 h LYS 97 CO -0.04 0.45 -0.54 -0.09 -0.57 0.00 0.00 179.45 178.66 1bb5 h ARG 98 N 0.22 0.43 -0.38 3.15 9.65 -1.02 -3.19 114.38 123.24 1bb5 h ARG 98 Ca 0.04 -0.41 0.06 0.00 -1.10 0.00 0.00 59.98 58.57 1bb5 h ARG 98 Cb 0.50 0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.13 1bb5 h ARG 98 CO 0.03 1.06 0.03 0.28 2.80 0.00 0.00 179.97 184.18 1bb5 h VAL 99 N -0.05 0.75 0.00 0.20 2.07 -0.62 -2.09 116.25 116.52 1bb5 h VAL 99 Ca -0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1bb5 h VAL 99 Cb 1.22 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1bb5 h VAL 99 CO 0.11 0.03 -0.04 1.62 0.02 0.00 0.00 177.57 179.30 1bb5 h VAL 100 N 0.14 0.16 0.00 2.57 3.04 -1.45 -2.59 116.25 118.13 1bb5 h VAL 100 Ca 0.18 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1bb5 h VAL 100 Cb 0.24 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1bb5 h VAL 100 CO -0.28 0.04 0.00 -1.14 -1.01 0.00 0.00 177.57 175.18 1bb5 n ARG 101 N -3.23 0.05 -1.59 4.17 0.63 -0.78 -3.99 116.66 111.91 1bb5 n ARG 101 Ca -0.01 0.23 -0.31 0.00 -0.92 0.00 0.00 57.85 56.84 1bb5 n ARG 101 Cb 0.24 -1.58 0.06 0.00 0.45 0.00 0.00 32.46 31.63 1bb5 n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1bb5 s ASP 102 N -3.29 5.17 0.30 6.15 1.11 -0.98 -4.91 116.67 120.21 1bb5 s ASP 102 Ca 0.08 1.50 0.01 0.00 0.18 0.00 0.00 52.55 54.32 1bb5 s ASP 102 Cb 0.11 -2.34 0.73 0.00 1.07 0.00 0.00 42.92 42.49 1bb5 s ASP 102 CO 0.36 -1.56 1.53 -2.65 1.18 0.00 0.00 175.17 174.02 1bb5 n PRO 103 N -3.20 -0.08 0.00 8.23 -0.02 -1.26 -0.90 135.00 137.77 1bb5 n PRO 103 Ca 0.07 1.47 0.15 0.00 -2.02 0.00 0.00 63.50 63.17 1bb5 n PRO 103 Cb 0.54 -2.32 0.80 0.00 -0.02 0.00 0.00 33.50 32.50 1bb5 n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bb5 n GLN 104 N -5.47 1.21 0.00 -0.52 10.64 -1.26 -5.00 117.38 116.98 1bb5 n GLN 104 Ca 0.23 -0.32 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 1bb5 n GLN 104 Cb 0.74 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.62 1bb5 n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bb5 n GLY 105 N 1.06 2.08 0.11 2.61 0.00 -0.08 -1.74 105.19 109.23 1bb5 n GLY 105 Ca 0.22 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1bb5 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bb5 n ILE 106 N 0.00 1.30 0.53 -0.61 3.06 -1.26 -1.58 119.36 120.79 1bb5 n ILE 106 Ca 0.00 0.67 0.06 0.00 -2.50 0.00 0.00 62.75 60.98 1bb5 n ILE 106 Cb 0.00 -1.67 0.29 0.00 0.54 0.00 0.00 39.64 38.81 1bb5 n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1bb5 n ARG 107 N -2.02 0.11 0.26 9.51 1.74 -0.71 -1.93 116.66 123.62 1bb5 n ARG 107 Ca -0.01 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1bb5 n ARG 107 Cb 0.04 -1.50 0.71 0.00 -1.02 0.00 0.00 32.46 30.69 1bb5 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb5 h ALA 108 N 2.53 1.33 -2.08 7.54 0.00 -1.44 -3.38 119.26 123.75 1bb5 h ALA 108 Ca 0.00 -0.11 -0.71 0.00 0.00 0.00 0.00 54.91 54.09 1bb5 h ALA 108 Cb 0.15 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.72 1bb5 h ALA 108 CO 0.00 0.15 -0.04 -1.58 0.00 0.00 0.00 179.25 177.78 1bb5 s TRP 109 N -4.26 3.09 0.23 0.00 0.51 -0.81 -4.96 118.94 112.75 1bb5 s TRP 109 Ca -0.03 -0.83 -0.06 0.00 -2.12 0.00 0.00 56.10 53.06 1bb5 s TRP 109 Cb 0.13 -3.64 0.33 0.00 -0.81 0.00 0.00 33.47 29.49 1bb5 s TRP 109 CO 0.59 -1.06 1.82 0.28 -0.51 0.00 0.00 176.95 178.07 1bb5 h VAL 110 N 5.86 0.95 -0.89 4.03 2.07 -1.87 -1.90 116.25 124.50 1bb5 h VAL 110 Ca -0.29 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1bb5 h VAL 110 Cb 1.10 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1bb5 h VAL 110 CO 1.00 0.14 0.49 0.00 0.02 0.00 0.00 177.57 179.23 1bb5 h ALA 111 N 1.41 1.20 -0.53 1.67 0.00 -1.93 -0.15 119.26 120.93 1bb5 h ALA 111 Ca 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1bb5 h ALA 111 Cb 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1bb5 h ALA 111 CO -0.21 0.65 0.17 2.35 0.00 0.00 0.00 179.25 182.21 1bb5 h TRP 112 N 1.24 0.86 -0.40 0.00 7.01 -1.69 -0.32 115.95 122.64 1bb5 h TRP 112 Ca 0.31 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.24 1bb5 h TRP 112 Cb 0.01 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 1bb5 h TRP 112 CO 0.01 0.73 0.24 0.00 -2.79 0.00 0.00 178.44 176.63 1bb5 h ARG 113 N 0.74 0.48 -0.12 2.65 3.08 -0.67 0.55 114.38 121.08 1bb5 h ARG 113 Ca 0.17 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 60.01 1bb5 h ARG 113 Cb 0.27 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1bb5 h ARG 113 CO -0.01 0.32 -0.69 -0.91 -1.07 0.00 0.00 179.97 177.61 1bb5 h ASN 114 N 0.49 0.63 -0.00 7.04 2.35 -0.86 -3.34 115.58 121.88 1bb5 h ASN 114 Ca 0.16 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1bb5 h ASN 114 Cb -0.01 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1bb5 h ASN 114 CO -0.07 1.14 -0.13 0.54 -1.65 0.00 0.00 177.43 177.27 1bb5 n ARG 115 N -3.89 2.97 0.00 0.81 5.12 -0.15 -4.88 116.66 116.64 1bb5 n ARG 115 Ca -0.05 -0.35 0.00 0.00 -1.93 0.00 0.00 57.85 55.52 1bb5 n ARG 115 Cb 0.69 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 31.10 1bb5 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bb5 n GLN 117 N -2.69 1.53 -0.74 0.00 7.27 -0.18 -1.52 117.38 121.05 1bb5 n GLN 117 Ca 0.00 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1bb5 n GLN 117 Cb 0.42 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 30.94 1bb5 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1bb5 n ASN 118 N 2.23 -0.52 -4.79 1.69 5.03 -1.26 -4.97 115.26 112.67 1bb5 n ASN 118 Ca 0.14 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.37 1bb5 n ASN 118 Cb 0.27 -1.57 -0.05 0.00 -1.02 0.00 0.00 39.78 37.41 1bb5 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1bb5 s ARG 119 N -0.66 2.45 -0.01 3.52 0.52 -0.58 -5.08 118.95 119.11 1bb5 s ARG 119 Ca 0.00 -1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 53.37 1bb5 s ARG 119 Cb 0.00 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1bb5 s ARG 119 CO 0.00 0.02 1.18 0.34 0.02 0.00 0.00 175.30 176.86 1bb5 s ASP 120 N -3.94 7.09 -0.05 0.23 -1.08 -1.26 -4.90 116.67 112.75 1bb5 s ASP 120 Ca 0.41 1.87 0.08 0.00 -0.52 0.00 0.00 52.55 54.38 1bb5 s ASP 120 Cb -0.02 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 38.99 1bb5 s ASP 120 CO 0.24 -0.52 1.01 1.33 0.52 0.00 0.00 175.17 177.75 1bb5 n VAL 121 N 4.34 1.16 0.12 1.11 0.24 -1.26 -4.78 118.33 119.25 1bb5 n VAL 121 Ca 0.10 -1.31 0.09 0.00 -2.04 0.00 0.00 64.34 61.18 1bb5 n VAL 121 Cb 0.47 0.26 0.57 0.00 -1.47 0.00 0.00 33.84 33.66 1bb5 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1bb5 h ARG 122 N 0.00 0.20 -0.47 7.34 -0.00 -1.92 -2.86 114.38 116.67 1bb5 h ARG 122 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1bb5 h ARG 122 Cb 0.83 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.73 1bb5 h ARG 122 CO 0.00 0.13 0.27 -0.56 0.00 0.00 0.00 179.97 179.81 1bb5 h GLN 123 N 0.20 0.63 -0.01 0.04 -0.00 -1.97 -2.82 115.11 111.18 1bb5 h GLN 123 Ca 0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1bb5 h GLN 123 Cb 0.16 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 27.51 1bb5 h GLN 123 CO -0.02 0.45 0.03 1.88 -0.00 0.00 0.00 178.83 181.17 1bb5 h TYR 124 N 0.64 0.00 -0.03 0.06 0.05 -1.84 -2.13 116.97 113.72 1bb5 h TYR 124 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1bb5 h TYR 124 Cb -0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1bb5 h TYR 124 CO 0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1bb5 n VAL 125 N -3.41 0.21 -1.76 -2.88 0.24 -1.10 -4.82 118.33 104.81 1bb5 n VAL 125 Ca -0.03 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 1bb5 n VAL 125 Cb 0.10 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 1bb5 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1bb5 s GLN 126 N -0.49 4.14 -0.79 7.34 -1.52 -0.80 -2.38 119.66 125.17 1bb5 s GLN 126 Ca 0.06 2.55 0.00 0.00 -1.95 0.00 0.00 55.36 56.02 1bb5 s GLN 126 Cb 0.04 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.55 1bb5 s GLN 126 CO 0.05 -0.76 0.00 0.41 -0.25 0.00 0.00 175.29 174.74 1bb5 n GLY 127 N 4.03 0.88 0.00 3.09 0.00 -1.26 -4.90 105.19 107.03 1bb5 n GLY 127 Ca 0.16 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.58 1bb5 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb5 n GLY 129 N 1.44 -0.19 0.13 0.00 0.00 -1.26 -4.92 105.19 100.39 1bb5 n GLY 129 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1bb5 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65