#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vub s GLN 2 N 0.00 1.84 0.00 0.03 0.74 -1.26 -3.72 119.66 117.29 2vub s GLN 2 Ca 0.00 1.27 0.00 0.00 0.05 0.00 0.00 55.36 56.68 2vub s GLN 2 Cb 0.00 -1.84 0.00 0.00 1.10 0.00 0.00 33.01 32.27 2vub s GLN 2 CO 0.00 -1.96 0.00 1.19 -0.55 0.00 0.00 175.29 173.97 2vub n PHE 3 N -3.75 0.00 -2.77 1.67 3.72 0.17 -4.95 117.46 111.54 2vub n PHE 3 Ca 0.10 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.30 2vub n PHE 3 Cb 0.53 -1.75 0.04 0.00 -0.94 0.00 0.00 39.48 37.36 2vub n PHE 3 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2vub s LYS 4 N -1.50 2.55 -0.10 -1.08 1.02 -1.24 -0.21 119.74 119.18 2vub s LYS 4 Ca 0.00 -1.00 0.02 0.00 0.02 0.00 0.00 55.97 55.01 2vub s LYS 4 Cb 0.00 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2vub s LYS 4 CO 0.00 -0.64 -0.17 0.08 -0.92 0.00 0.00 175.35 173.70 2vub s VAL 5 N -2.66 1.56 0.42 3.17 1.01 0.53 -2.00 120.40 122.44 2vub s VAL 5 Ca 0.58 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2vub s VAL 5 Cb -0.10 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2vub s VAL 5 CO 0.37 0.45 0.08 -0.31 0.00 0.00 0.00 175.10 175.70 2vub s TYR 6 N 0.77 1.86 0.00 5.22 1.51 -0.81 0.18 117.35 126.07 2vub s TYR 6 Ca -0.11 -1.13 0.00 0.00 -1.01 0.00 0.00 57.07 54.82 2vub s TYR 6 Cb -0.16 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 2vub s TYR 6 CO 0.02 -0.10 0.00 0.25 -1.11 0.00 0.00 175.55 174.61 2vub n THR 7 N -0.96 0.00 -0.02 -0.71 -2.24 -1.12 -2.50 114.28 106.73 2vub n THR 7 Ca -0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 2vub n THR 7 Cb 0.66 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 2vub n THR 7 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2vub n TYR 8 N 0.00 0.00 0.00 4.78 4.02 -1.26 0.16 117.16 124.86 2vub n TYR 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2vub n TYR 8 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 2vub n TYR 8 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2vub n TYR 14 N -2.17 0.00 0.23 -0.72 4.11 -1.26 -4.15 117.16 113.21 2vub n TYR 14 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.74 2vub n TYR 14 Cb 0.63 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.92 2vub n TYR 14 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2vub h ARG 15 N 0.00 -0.62 -2.68 -3.48 9.65 -1.96 -3.51 114.38 111.77 2vub h ARG 15 Ca 0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2vub h ARG 15 Cb 0.00 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2vub h ARG 15 CO 0.00 -0.41 -0.58 1.28 2.80 0.00 0.00 179.97 183.05 2vub n LEU 16 N -4.87 -4.65 -3.65 3.80 4.77 -1.25 -4.62 117.00 106.52 2vub n LEU 16 Ca -0.08 2.00 -0.15 0.00 -0.03 0.00 0.00 56.01 57.75 2vub n LEU 16 Cb 0.25 -1.79 -0.08 0.00 -2.33 0.00 0.00 43.42 39.48 2vub n LEU 16 CO 0.19 -0.62 0.23 0.72 -1.33 0.00 0.00 177.39 176.59 2vub s PHE 17 N -1.19 -0.48 -0.17 -1.77 -0.12 -1.04 -1.29 117.98 111.92 2vub s PHE 17 Ca 0.00 0.92 -0.05 0.00 -0.05 0.00 0.00 56.93 57.75 2vub s PHE 17 Cb 0.00 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 2vub s PHE 17 CO 0.00 -0.44 0.00 0.08 -0.05 0.00 0.00 175.22 174.81 2vub s VAL 18 N -0.81 4.19 -0.17 -2.49 1.01 0.43 -1.93 120.40 120.63 2vub s VAL 18 Ca -0.09 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2vub s VAL 18 Cb -0.03 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2vub s VAL 18 CO 0.05 0.47 1.18 -0.62 0.00 0.00 0.00 175.10 176.19 2vub s ASP 19 N 0.48 7.01 0.00 3.32 -1.08 -0.85 -0.77 116.67 124.78 2vub s ASP 19 Ca -0.01 1.61 0.03 0.00 -0.52 0.00 0.00 52.55 53.66 2vub s ASP 19 Cb -0.14 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 38.85 2vub s ASP 19 CO 0.02 -0.70 1.01 1.33 0.52 0.00 0.00 175.17 177.35 2vub n VAL 20 N 5.24 0.89 -3.02 1.11 0.24 -0.41 -0.66 118.33 121.73 2vub n VAL 20 Ca 0.13 -0.94 -0.33 0.00 -2.04 0.00 0.00 64.34 61.15 2vub n VAL 20 Cb 0.45 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 2vub n VAL 20 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2vub s GLN 21 N -0.91 4.14 0.52 7.34 0.74 -1.21 -4.93 119.66 125.36 2vub s GLN 21 Ca 0.06 0.87 -0.23 0.00 0.05 0.00 0.00 55.36 56.11 2vub s GLN 21 Cb 0.03 -2.45 -0.06 0.00 1.10 0.00 0.00 33.01 31.64 2vub s GLN 21 CO 0.04 0.14 1.36 0.45 -0.55 0.00 0.00 175.29 176.74 2vub s SER 22 N -2.12 5.45 0.08 6.67 0.15 -1.26 -4.28 113.70 118.40 2vub s SER 22 Ca 0.55 2.78 0.25 0.00 0.70 0.00 0.00 55.95 60.22 2vub s SER 22 Cb -0.11 -2.64 0.98 0.00 -1.71 0.00 0.00 66.02 62.54 2vub s SER 22 CO 0.17 -1.45 1.77 0.47 1.20 0.00 0.00 173.24 175.41 2vub n ASP 23 N -0.81 0.28 0.06 5.45 8.00 -1.26 -3.06 116.55 125.21 2vub n ASP 23 Ca 0.09 0.54 -0.16 0.00 0.71 0.00 0.00 54.79 55.96 2vub n ASP 23 Cb 0.44 -0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 2vub n ASP 23 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2vub h ILE 24 N 0.00 1.35 -3.59 0.53 5.03 -2.05 -3.42 117.51 115.37 2vub h ILE 24 Ca 0.00 -2.37 -0.64 0.00 -0.12 0.00 0.00 64.86 61.73 2vub h ILE 24 Cb 0.49 2.41 -0.14 0.00 -3.03 0.00 0.00 36.82 36.55 2vub h ILE 24 CO 0.00 0.72 0.04 -0.63 -0.68 0.00 0.00 178.15 177.60 2vub s ILE 25 N -3.28 4.96 0.00 -0.67 -1.09 -1.17 -4.84 121.20 115.10 2vub s ILE 25 Ca -0.08 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 2vub s ILE 25 Cb 0.08 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2vub s ILE 25 CO 0.89 -0.27 0.00 -0.90 -1.23 0.00 0.00 174.94 173.44 2vub n ASP 26 N 5.88 0.00 -0.33 3.58 5.68 -1.26 -4.72 116.55 125.38 2vub n ASP 26 Ca -0.03 -0.25 0.07 0.00 -0.50 0.00 0.00 54.79 54.09 2vub n ASP 26 Cb 0.49 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.70 2vub n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vub h THR 27 N 0.25 0.84 -3.88 2.12 1.03 -1.94 -3.42 112.91 107.91 2vub h THR 27 Ca 0.00 -0.29 -0.48 0.00 -0.01 0.00 0.00 66.41 65.63 2vub h THR 27 Cb 0.12 -0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.12 2vub h THR 27 CO 0.00 0.15 0.37 -2.84 -0.01 0.00 0.00 175.52 173.19 2vub s PRO 28 N -5.96 4.55 0.00 0.00 0.02 -1.26 -4.89 135.00 127.46 2vub s PRO 28 Ca -0.12 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.33 2vub s PRO 28 Cb 0.22 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.89 2vub s PRO 28 CO 0.80 0.23 1.31 0.41 -0.33 0.00 0.00 177.00 179.41 2vub n GLY 29 N 0.69 1.93 3.01 0.52 0.00 -1.26 -4.72 105.19 105.36 2vub n GLY 29 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2vub n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vub s ARG 30 N 0.31 0.39 -0.00 1.61 0.52 -1.26 -0.35 118.95 120.17 2vub s ARG 30 Ca 0.00 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2vub s ARG 30 Cb 0.00 0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.48 2vub s ARG 30 CO 0.00 -0.03 -0.11 0.50 0.02 0.00 0.00 175.30 175.68 2vub s ARG 31 N -1.71 0.84 -0.08 3.54 6.06 -0.06 -4.87 118.95 122.66 2vub s ARG 31 Ca -0.12 -0.42 -0.30 0.00 -2.50 0.00 0.00 55.73 52.39 2vub s ARG 31 Cb -0.08 -0.81 -0.02 0.00 0.06 0.00 0.00 34.95 34.10 2vub s ARG 31 CO -0.01 0.22 1.03 -1.64 -2.50 0.00 0.00 175.30 172.39 2vub s MET 32 N -0.37 4.43 0.10 5.12 -1.94 -1.26 -1.37 119.30 124.01 2vub s MET 32 Ca 0.03 1.43 0.05 0.00 -1.71 0.00 0.00 55.69 55.49 2vub s MET 32 Cb -0.05 -3.53 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 2vub s MET 32 CO -0.00 -0.29 -0.12 0.08 -0.01 0.00 0.00 175.02 174.67 2vub s VAL 33 N 1.88 1.09 -0.19 -6.03 1.01 -0.18 -1.28 120.40 116.69 2vub s VAL 33 Ca 0.50 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 60.91 2vub s VAL 33 Cb -0.20 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2vub s VAL 33 CO 0.20 -0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 174.06 2vub s ILE 34 N -2.06 2.15 0.51 2.22 1.01 0.05 -1.32 121.20 123.76 2vub s ILE 34 Ca 0.04 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 2vub s ILE 34 Cb -0.05 -1.96 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 2vub s ILE 34 CO 0.02 0.45 1.15 -2.16 0.00 0.00 0.00 174.94 174.39 2vub s PRO 35 N 1.27 3.51 0.01 2.79 0.04 -1.26 -0.43 135.00 140.93 2vub s PRO 35 Ca 0.03 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2vub s PRO 35 Cb -0.14 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2vub s PRO 35 CO -0.11 -0.74 0.06 -0.51 0.04 0.00 0.00 177.00 175.74 2vub s LEU 36 N -3.48 3.79 0.08 -3.56 1.43 -0.41 -0.78 118.68 115.74 2vub s LEU 36 Ca 0.69 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 2vub s LEU 36 Cb -0.26 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2vub s LEU 36 CO 0.30 0.26 -0.12 0.00 0.23 0.00 0.00 176.35 177.03 2vub s ALA 37 N -1.19 1.08 0.16 4.21 0.00 -0.36 -4.80 121.76 120.86 2vub s ALA 37 Ca 0.23 -1.04 -0.32 0.00 0.00 0.00 0.00 51.96 50.83 2vub s ALA 37 Cb -0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 23.12 22.84 2vub s ALA 37 CO 0.14 0.08 1.75 0.45 0.00 0.00 0.00 175.76 178.18 2vub n SER 38 N 1.05 3.89 0.16 0.00 2.88 -1.26 0.13 113.62 120.47 2vub n SER 38 Ca -0.20 1.03 0.17 0.00 -1.33 0.00 0.00 58.87 58.54 2vub n SER 38 Cb 0.55 -1.54 0.76 0.00 -0.75 0.00 0.00 64.21 63.23 2vub n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2vub h ALA 39 N 7.37 2.02 0.00 -1.46 0.00 -1.60 -0.94 119.26 124.64 2vub h ALA 39 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2vub h ALA 39 Cb 1.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2vub h ALA 39 CO 0.95 -0.35 -0.06 0.00 0.00 0.00 0.00 179.25 179.78 2vub h ARG 40 N 0.00 0.00 0.00 0.00 -0.00 -1.89 -2.78 114.38 109.72 2vub h ARG 40 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 2vub h ARG 40 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.53 2vub h ARG 40 CO -0.00 0.06 0.00 1.28 0.00 0.00 0.00 179.97 181.31 2vub n LEU 41 N -3.32 0.63 -4.24 3.04 4.32 -0.36 -4.74 117.00 112.32 2vub n LEU 41 Ca -0.01 0.60 -0.28 0.00 -0.02 0.00 0.00 56.01 56.30 2vub n LEU 41 Cb 0.23 -0.45 -0.16 0.00 -1.62 0.00 0.00 43.42 41.42 2vub n LEU 41 CO 0.27 -0.33 -0.54 -0.76 -1.22 0.00 0.00 177.39 174.81 2vub s LEU 42 N -4.27 2.04 0.81 2.23 1.02 -1.05 -5.10 118.68 114.36 2vub s LEU 42 Ca 0.08 -0.40 -0.12 0.00 0.02 0.00 0.00 54.13 53.71 2vub s LEU 42 Cb 0.11 -1.14 0.08 0.00 0.02 0.00 0.00 46.19 45.26 2vub s LEU 42 CO 0.48 0.27 1.11 -0.94 0.02 0.00 0.00 176.35 177.30 2vub s SER 43 N -0.52 4.40 0.15 2.29 1.04 -1.26 -4.93 113.70 114.86 2vub s SER 43 Ca 0.09 1.17 0.19 0.00 0.48 0.00 0.00 55.95 57.88 2vub s SER 43 Cb -0.09 -1.86 0.82 0.00 0.10 0.00 0.00 66.02 64.99 2vub s SER 43 CO -0.01 -2.01 1.60 0.47 0.98 0.00 0.00 173.24 174.27 2vub n ASP 44 N -3.44 0.38 0.04 7.02 9.92 -1.26 -2.42 116.55 126.79 2vub n ASP 44 Ca 0.07 0.60 0.11 0.00 -0.53 0.00 0.00 54.79 55.04 2vub n ASP 44 Cb 0.57 -0.67 0.45 0.00 -0.64 0.00 0.00 41.12 40.83 2vub n ASP 44 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2vub n LYS 45 N -1.92 0.08 -2.77 -1.24 4.76 -1.26 -4.71 118.16 111.09 2vub n LYS 45 Ca 0.03 0.20 -0.42 0.00 -2.87 0.00 0.00 58.31 55.25 2vub n LYS 45 Cb 0.20 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 2vub n LYS 45 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2vub s VAL 46 N -3.08 4.82 -0.25 -0.18 1.01 -1.01 -4.97 120.40 116.74 2vub s VAL 46 Ca 0.09 1.87 -0.42 0.00 0.00 0.00 0.00 61.98 63.52 2vub s VAL 46 Cb 0.13 -4.24 -0.19 0.00 0.00 0.00 0.00 36.38 32.09 2vub s VAL 46 CO 0.42 0.00 1.47 -0.24 0.00 0.00 0.00 175.10 176.76 2vub n SER 47 N 5.19 1.25 0.00 3.32 2.88 -1.26 -4.87 113.62 120.14 2vub n SER 47 Ca 0.07 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.89 2vub n SER 47 Cb 0.49 -0.99 0.43 0.00 -0.75 0.00 0.00 64.21 63.39 2vub n SER 47 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2vub n ARG 48 N 3.52 0.00 -0.03 -1.46 1.74 -1.26 -1.31 116.66 117.87 2vub n ARG 48 Ca 0.26 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.19 2vub n ARG 48 Cb 0.05 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 2vub n ARG 48 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2vub h GLU 49 N 0.00 0.13 0.14 5.56 4.81 -1.97 -3.14 114.58 120.11 2vub h GLU 49 Ca 0.00 -0.13 -0.24 0.00 -0.13 0.00 0.00 59.36 58.86 2vub h GLU 49 Cb 0.50 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.93 2vub h GLU 49 CO 0.00 0.85 -1.15 1.25 -0.73 0.00 0.00 179.01 179.23 2vub h LEU 50 N -0.54 0.46 -7.12 1.64 5.85 -1.90 -3.33 115.31 110.37 2vub h LEU 50 Ca -0.02 -0.91 -0.69 0.00 0.84 0.00 0.00 57.88 57.11 2vub h LEU 50 Cb 0.90 -0.15 -0.37 0.00 0.37 0.00 0.00 40.66 41.41 2vub h LEU 50 CO 0.03 1.52 -0.16 -1.22 -0.34 0.00 0.00 178.44 178.28 2vub n TYR 51 N -4.00 3.89 -1.65 1.25 4.01 -0.43 -4.50 117.16 115.74 2vub n TYR 51 Ca -0.19 -4.06 -0.37 0.00 -0.16 0.00 0.00 57.90 53.11 2vub n TYR 51 Cb 0.88 -1.00 0.06 0.00 -0.31 0.00 0.00 39.34 38.97 2vub n TYR 51 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2vub n PRO 52 N 2.01 0.95 -4.01 -0.72 -0.02 -1.18 -4.36 135.00 127.67 2vub n PRO 52 Ca 0.23 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 2vub n PRO 52 Cb 0.37 -2.27 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 2vub n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vub s VAL 53 N -1.48 4.28 0.28 -1.45 1.01 -1.26 -1.17 120.40 120.61 2vub s VAL 53 Ca 0.78 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2vub s VAL 53 Cb -0.40 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2vub s VAL 53 CO 0.45 0.42 -0.10 0.68 0.00 0.00 0.00 175.10 176.55 2vub s VAL 54 N 0.92 1.91 -0.05 2.92 -7.23 0.42 -4.95 120.40 114.34 2vub s VAL 54 Ca 0.02 -2.20 0.06 0.00 -1.81 0.00 0.00 61.98 58.06 2vub s VAL 54 Cb -0.14 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2vub s VAL 54 CO 0.02 -0.34 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.22 2vub s HIS 55 N -2.84 2.43 -0.25 2.82 3.76 -1.26 -0.50 115.29 119.45 2vub s HIS 55 Ca 0.29 -0.70 -0.03 0.00 -0.15 0.00 0.00 55.06 54.47 2vub s HIS 55 Cb 0.01 -1.59 0.10 0.00 1.11 0.00 0.00 32.58 32.21 2vub s HIS 55 CO 0.13 -0.20 0.18 0.42 -0.85 0.00 0.00 174.74 174.42 2vub s ILE 56 N -0.20 -0.21 -0.86 0.60 1.01 -0.96 -4.96 121.20 115.62 2vub s ILE 56 Ca -0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 2vub s ILE 56 Cb -0.13 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 2vub s ILE 56 CO 0.03 -0.47 0.74 0.61 0.00 0.00 0.00 174.94 175.86 2vub n GLY 57 N 5.29 -1.21 4.20 6.18 0.00 -1.26 -3.68 105.19 114.71 2vub n GLY 57 Ca -0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2vub n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vub n ASP 58 N -2.29 0.00 -4.75 1.61 8.00 -1.26 -4.98 116.55 112.88 2vub n ASP 58 Ca -0.07 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.10 2vub n ASP 58 Cb 0.56 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.74 2vub n ASP 58 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2vub s GLU 59 N 0.00 2.37 -0.10 -1.24 2.02 -1.24 -5.05 118.70 115.45 2vub s GLU 59 Ca 0.00 1.42 -0.03 0.00 0.02 0.00 0.00 54.97 56.38 2vub s GLU 59 Cb 0.00 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 2vub s GLU 59 CO 0.00 -1.59 0.03 -1.12 0.02 0.00 0.00 175.26 172.60 2vub s SER 60 N -2.68 5.45 0.05 -0.19 0.01 -1.26 -2.26 113.70 112.82 2vub s SER 60 Ca 0.67 0.18 0.04 0.00 1.31 0.00 0.00 55.95 58.15 2vub s SER 60 Cb -0.22 -1.63 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 2vub s SER 60 CO 0.47 0.36 -0.12 0.26 0.41 0.00 0.00 173.24 174.62 2vub s TRP 61 N -0.75 1.03 -0.09 2.43 0.52 0.35 -1.66 118.94 120.77 2vub s TRP 61 Ca 0.12 -0.42 -0.03 0.00 0.02 0.00 0.00 56.10 55.79 2vub s TRP 61 Cb -0.12 -0.60 -0.04 0.00 -1.15 0.00 0.00 33.47 31.57 2vub s TRP 61 CO 0.02 0.01 0.05 1.03 0.02 0.00 0.00 176.95 178.08 2vub s ARG 62 N -1.44 3.11 -0.36 4.98 1.81 0.12 -0.44 118.95 126.74 2vub s ARG 62 Ca -0.03 -0.34 -0.22 0.00 -1.72 0.00 0.00 55.73 53.42 2vub s ARG 62 Cb -0.09 -2.90 0.01 0.00 -0.45 0.00 0.00 34.95 31.51 2vub s ARG 62 CO 0.01 0.72 0.69 -1.64 -0.68 0.00 0.00 175.30 174.41 2vub s MET 63 N -1.00 3.71 -1.41 3.54 -1.94 -0.31 -1.23 119.30 120.67 2vub s MET 63 Ca 0.15 0.16 -0.13 0.00 -1.71 0.00 0.00 55.69 54.16 2vub s MET 63 Cb -0.12 -3.81 0.08 0.00 2.01 0.00 0.00 34.83 33.00 2vub s MET 63 CO 0.04 -0.78 2.13 -1.33 -0.01 0.00 0.00 175.02 175.07 2vub n MET 64 N 6.19 3.08 -0.29 2.03 0.00 0.04 -4.27 117.12 123.89 2vub n MET 64 Ca 0.00 -2.88 0.12 0.00 0.00 0.00 0.00 57.70 54.95 2vub n MET 64 Cb 0.48 -3.18 0.28 0.00 0.00 0.00 0.00 33.22 30.81 2vub n MET 64 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2vub h THR 65 N 3.92 0.46 0.00 2.03 2.02 -1.83 0.10 112.91 119.61 2vub h THR 65 Ca 0.52 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.58 2vub h THR 65 Cb 0.64 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2vub h THR 65 CO 1.81 0.06 0.00 0.35 0.37 0.00 0.00 175.52 178.12 2vub n THR 66 N -5.09 0.30 -0.94 3.16 -2.24 -1.26 -2.32 114.28 105.88 2vub n THR 66 Ca 0.21 0.07 0.08 0.00 -2.27 0.00 0.00 64.05 62.14 2vub n THR 66 Cb 0.63 -0.76 0.29 0.00 -2.10 0.00 0.00 70.33 68.38 2vub n THR 66 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2vub n ASP 67 N -1.19 4.30 -4.66 3.42 9.92 0.02 -5.02 116.55 123.33 2vub n ASP 67 Ca 0.11 -2.96 -0.41 0.00 -0.53 0.00 0.00 54.79 51.00 2vub n ASP 67 Cb 0.12 -0.57 0.01 0.00 -0.64 0.00 0.00 41.12 40.04 2vub n ASP 67 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2vub n MET 68 N -0.19 1.71 -3.62 -1.24 1.56 -0.98 -4.57 117.12 109.78 2vub n MET 68 Ca 0.23 0.61 -0.11 0.00 -0.27 0.00 0.00 57.70 58.15 2vub n MET 68 Cb 0.95 -2.24 -0.05 0.00 2.15 0.00 0.00 33.22 34.03 2vub n MET 68 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2vub s ALA 69 N -1.21 -1.04 -0.16 -5.12 0.00 -0.43 -5.00 121.76 108.81 2vub s ALA 69 Ca 0.61 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 2vub s ALA 69 Cb -0.54 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2vub s ALA 69 CO 0.58 -0.59 0.68 0.45 0.00 0.00 0.00 175.76 176.88 2vub s SER 70 N -2.50 6.81 -0.04 0.00 0.15 -1.26 -1.02 113.70 115.84 2vub s SER 70 Ca -0.00 0.99 0.05 0.00 0.70 0.00 0.00 55.95 57.68 2vub s SER 70 Cb 0.01 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2vub s SER 70 CO -0.08 -0.25 -0.19 -0.69 1.20 0.00 0.00 173.24 173.23 2vub s VAL 71 N 1.63 1.55 0.30 4.45 1.01 -0.47 -4.94 120.40 123.93 2vub s VAL 71 Ca 0.33 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2vub s VAL 71 Cb -0.16 -1.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.79 2vub s VAL 71 CO 0.13 0.44 1.42 -2.84 0.00 0.00 0.00 175.10 174.24 2vub s PRO 72 N -0.06 4.26 0.61 2.72 0.02 -1.26 -0.88 135.00 140.41 2vub s PRO 72 Ca -0.02 2.34 0.34 0.00 0.02 0.00 0.00 61.00 63.67 2vub s PRO 72 Cb -0.11 -3.07 1.98 0.00 0.02 0.00 0.00 34.50 33.32 2vub s PRO 72 CO 0.02 -0.38 2.29 -0.39 -0.33 0.00 0.00 177.00 178.21 2vub h VAL 73 N 3.27 0.39 0.00 3.83 -1.51 -1.03 -2.20 116.25 119.01 2vub h VAL 73 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2vub h VAL 73 Cb 1.22 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2vub h VAL 73 CO 0.72 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 177.83 2vub h SER 74 N 0.00 0.00 -0.02 4.19 4.64 -1.91 -2.71 113.55 117.74 2vub h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vub h SER 74 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2vub h SER 74 CO -0.00 0.00 -0.09 1.33 -0.87 0.00 0.00 176.83 177.20 2vub n VAL 75 N -2.42 0.00 -2.64 0.95 0.24 -0.83 -4.93 118.33 108.71 2vub n VAL 75 Ca 0.02 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 2vub n VAL 75 Cb 0.23 1.36 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 2vub n VAL 75 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2vub s ILE 76 N -1.71 4.66 0.00 1.34 1.01 -1.02 -4.50 121.20 120.98 2vub s ILE 76 Ca 0.21 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.84 2vub s ILE 76 Cb 0.16 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2vub s ILE 76 CO 0.29 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2vub n GLY 77 N 3.29 1.11 3.79 6.18 0.00 0.12 -4.94 105.19 114.75 2vub n GLY 77 Ca 0.11 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 2vub n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vub s GLU 78 N 0.90 3.83 -0.10 1.61 0.41 -1.26 -4.57 118.70 119.51 2vub s GLU 78 Ca 0.00 1.49 -0.30 0.00 -0.41 0.00 0.00 54.97 55.75 2vub s GLU 78 Cb 0.00 -2.24 -0.03 0.00 -1.78 0.00 0.00 34.13 30.08 2vub s GLU 78 CO 0.00 -0.43 1.26 -2.00 -0.49 0.00 0.00 175.26 173.60 2vub s GLU 79 N -2.98 4.29 -0.22 1.61 2.12 -1.26 -2.80 118.70 119.46 2vub s GLU 79 Ca 0.65 1.71 0.11 0.00 0.36 0.00 0.00 54.97 57.80 2vub s GLU 79 Cb -0.20 -3.66 -0.21 0.00 0.26 0.00 0.00 34.13 30.31 2vub s GLU 79 CO 0.25 -0.59 -0.06 1.55 -0.54 0.00 0.00 175.26 175.87 2vub n VAL 80 N 4.98 1.39 -3.83 3.70 3.14 0.48 -4.97 118.33 123.20 2vub n VAL 80 Ca 0.13 -0.71 -0.07 0.00 -2.96 0.00 0.00 64.34 60.72 2vub n VAL 80 Cb 0.45 -0.87 -0.00 0.00 -1.06 0.00 0.00 33.84 32.36 2vub n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vub s ALA 81 N -2.49 -1.05 -0.09 1.55 0.00 -1.12 -4.98 121.76 113.58 2vub s ALA 81 Ca -0.20 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2vub s ALA 81 Cb 0.07 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2vub s ALA 81 CO 0.71 -1.02 -0.12 0.34 0.00 0.00 0.00 175.76 175.67 2vub s ASP 82 N -2.99 2.09 -0.31 0.00 -1.08 -1.26 -0.34 116.67 112.77 2vub s ASP 82 Ca 0.13 -0.34 0.08 0.00 -0.52 0.00 0.00 52.55 51.91 2vub s ASP 82 Cb -0.05 -0.91 0.50 0.00 -1.46 0.00 0.00 42.92 41.00 2vub s ASP 82 CO 0.09 -0.02 1.47 0.18 0.52 0.00 0.00 175.17 177.40 2vub n LEU 83 N 4.29 4.29 0.00 -1.34 4.77 0.71 -4.72 117.00 124.99 2vub n LEU 83 Ca -0.19 -3.88 0.06 0.00 -0.03 0.00 0.00 56.01 51.97 2vub n LEU 83 Cb 0.51 -0.63 0.45 0.00 -2.33 0.00 0.00 43.42 41.42 2vub n LEU 83 CO 0.22 1.34 1.16 0.28 -1.33 0.00 0.00 177.39 179.06 2vub h SER 84 N 1.11 0.42 0.44 -1.43 0.02 -1.93 -0.70 113.55 111.48 2vub h SER 84 Ca 0.24 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2vub h SER 84 Cb 1.62 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.06 2vub h SER 84 CO 0.45 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 2vub n HIS 85 N -4.48 0.46 -0.45 3.45 1.44 -1.26 -1.78 115.22 112.61 2vub n HIS 85 Ca 0.04 0.20 0.09 0.00 -2.01 0.00 0.00 57.72 56.03 2vub n HIS 85 Cb 0.12 -0.82 0.26 0.00 0.12 0.00 0.00 29.99 29.67 2vub n HIS 85 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2vub n ARG 86 N -1.94 3.09 -0.31 -1.40 5.12 -0.27 -4.69 116.66 116.26 2vub n ARG 86 Ca 0.02 -2.53 0.16 0.00 -1.93 0.00 0.00 57.85 53.57 2vub n ARG 86 Cb 0.15 -1.58 0.33 0.00 -1.16 0.00 0.00 32.46 30.20 2vub n ARG 86 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2vub h GLU 87 N 3.12 0.14 -0.53 5.56 4.81 -1.39 -0.56 114.58 125.72 2vub h GLU 87 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2vub h GLU 87 Cb 1.08 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2vub h GLU 87 CO 0.09 0.09 0.20 -0.97 -0.73 0.00 0.00 179.01 177.69 2vub h ASN 88 N 0.14 0.75 -0.37 1.04 -0.00 -1.85 -0.57 115.58 114.73 2vub h ASN 88 Ca 0.61 -0.18 -0.10 0.00 -0.00 0.00 0.00 56.30 56.63 2vub h ASN 88 Cb 1.30 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 39.42 2vub h ASN 88 CO -0.73 0.73 -0.16 0.44 -0.00 0.00 0.00 177.43 177.71 2vub h ASP 89 N 0.73 0.78 -0.43 1.15 3.32 -1.50 -1.97 116.42 118.50 2vub h ASP 89 Ca 0.18 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2vub h ASP 89 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2vub h ASP 89 CO -0.01 1.00 0.18 0.40 -1.72 0.00 0.00 179.24 179.09 2vub h ILE 90 N 0.55 1.19 -0.62 0.35 2.04 -1.26 -1.13 117.51 118.64 2vub h ILE 90 Ca 0.08 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.36 2vub h ILE 90 Cb 0.70 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2vub h ILE 90 CO 0.05 0.22 0.41 0.50 0.00 0.00 0.00 178.15 179.33 2vub h LYS 91 N 0.55 0.81 -0.62 2.37 3.64 -1.06 -1.70 116.57 120.57 2vub h LYS 91 Ca 0.14 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2vub h LYS 91 Cb 0.17 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2vub h LYS 91 CO -0.01 0.54 0.06 -0.91 -2.27 0.00 0.00 179.45 176.86 2vub h ASN 92 N 0.83 0.99 -0.00 4.20 -0.26 -1.12 -0.49 115.58 119.73 2vub h ASN 92 Ca 0.23 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2vub h ASN 92 Cb -0.09 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 36.90 2vub h ASN 92 CO -0.05 1.01 0.00 0.00 -1.06 0.00 0.00 177.43 177.33 2vub h ALA 93 N 1.10 0.00 -0.35 -0.83 0.00 -0.78 -0.49 119.26 117.91 2vub h ALA 93 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2vub h ALA 93 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2vub h ALA 93 CO 0.02 -0.46 0.13 0.82 0.00 0.00 0.00 179.25 179.76 2vub h ILE 94 N -0.07 1.19 -0.26 0.00 2.04 -1.19 -2.05 117.51 117.17 2vub h ILE 94 Ca 0.00 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2vub h ILE 94 Cb 0.08 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2vub h ILE 94 CO -0.00 0.21 -0.06 0.78 0.00 0.00 0.00 178.15 179.08 2vub h ASN 95 N 0.42 0.38 -0.34 1.72 2.35 -1.03 -2.60 115.58 116.48 2vub h ASN 95 Ca 0.12 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2vub h ASN 95 Cb 0.21 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2vub h ASN 95 CO -0.01 0.49 -0.15 0.25 -1.65 0.00 0.00 177.43 176.36 2vub h LEU 96 N 0.39 0.72 -1.07 1.61 5.85 -0.83 0.12 115.31 122.10 2vub h LEU 96 Ca 0.08 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2vub h LEU 96 Cb 0.36 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2vub h LEU 96 CO 0.02 0.96 0.30 -0.03 -0.34 0.00 0.00 178.44 179.35 2vub h MET 97 N 0.48 0.96 0.02 1.25 4.05 -1.06 -0.56 114.93 120.07 2vub h MET 97 Ca 0.08 -0.14 -0.26 0.00 -0.28 0.00 0.00 59.70 59.10 2vub h MET 97 Cb 0.68 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 2vub h MET 97 CO 0.05 0.76 -1.43 1.19 0.23 0.00 0.00 176.91 177.70 2vub n PHE 98 N -4.33 1.04 -0.32 1.39 3.72 -1.01 -4.58 117.46 113.38 2vub n PHE 98 Ca 0.06 0.40 0.09 0.00 -0.05 0.00 0.00 57.45 57.95 2vub n PHE 98 Cb 0.15 -1.11 0.26 0.00 -0.94 0.00 0.00 39.48 37.83 2vub n PHE 98 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 2vub n TRP 99 N -4.25 0.80 -3.20 1.38 5.03 0.43 -5.00 117.44 112.62 2vub n TRP 99 Ca -0.33 -0.51 -0.10 0.00 3.03 0.00 0.00 57.50 59.59 2vub n TRP 99 Cb 0.76 -0.03 0.04 0.00 -1.03 0.00 0.00 31.31 31.04 2vub n TRP 99 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2vub n GLY 100 N 1.13 -1.19 2.08 6.99 0.00 -0.22 -4.97 105.19 109.00 2vub n GLY 100 Ca 0.19 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2vub n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71