#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpw n GLN 2 N 0.00 2.53 -0.86 2.12 7.27 -1.26 -1.89 117.38 125.30 3hpw n GLN 2 Ca 0.00 0.91 0.00 0.00 0.07 0.00 0.00 57.00 57.98 3hpw n GLN 2 Cb 0.00 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 29.97 3hpw n GLN 2 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3hpw n PHE 3 N 2.64 0.00 -2.85 3.69 3.72 0.12 -4.89 117.46 119.89 3hpw n PHE 3 Ca 0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.18 3hpw n PHE 3 Cb 0.34 -0.24 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 3hpw n PHE 3 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hpw s LYS 4 N -0.15 4.28 -0.13 -1.08 -0.14 -0.79 -0.24 119.74 121.48 3hpw s LYS 4 Ca 0.00 1.12 -0.04 0.00 -1.36 0.00 0.00 55.97 55.69 3hpw s LYS 4 Cb 0.00 -2.34 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 3hpw s LYS 4 CO 0.00 0.06 -0.01 0.08 -0.76 0.00 0.00 175.35 174.72 3hpw s VAL 5 N -2.04 4.19 0.08 3.17 1.01 -0.07 -1.33 120.40 125.41 3hpw s VAL 5 Ca 0.59 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.35 3hpw s VAL 5 Cb -0.11 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3hpw s VAL 5 CO 0.16 0.53 -0.14 -0.31 0.00 0.00 0.00 175.10 175.33 3hpw s TYR 6 N -0.11 1.26 0.34 5.22 1.51 -0.26 -0.21 117.35 125.10 3hpw s TYR 6 Ca 0.04 -0.47 -0.28 0.00 -1.01 0.00 0.00 57.07 55.35 3hpw s TYR 6 Cb -0.13 -0.70 -0.10 0.00 -0.11 0.00 0.00 41.96 40.92 3hpw s TYR 6 CO 0.02 0.07 1.27 0.99 -1.11 0.00 0.00 175.55 176.79 3hpw s THR 7 N -1.34 2.84 -0.35 -0.71 2.01 -0.75 -1.65 115.64 115.69 3hpw s THR 7 Ca -0.01 0.83 -0.15 0.00 0.31 0.00 0.00 61.69 62.67 3hpw s THR 7 Cb -0.10 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 3hpw s THR 7 CO 0.02 0.18 0.33 -0.47 -0.69 0.00 0.00 174.62 173.99 3hpw s TYR 8 N -1.17 3.21 -1.22 4.92 5.04 -0.49 0.06 117.35 127.70 3hpw s TYR 8 Ca 0.50 -0.15 -0.05 0.00 -2.44 0.00 0.00 57.07 54.92 3hpw s TYR 8 Cb -0.38 -2.62 0.20 0.00 0.35 0.00 0.00 41.96 39.51 3hpw s TYR 8 CO 0.50 -0.44 2.04 1.63 -1.34 0.00 0.00 175.55 177.93 3hpw n LYS 9 N 5.30 4.58 -3.86 4.97 5.02 0.00 -4.86 118.16 129.32 3hpw n LYS 9 Ca -0.10 -3.89 -0.11 0.00 -2.02 0.00 0.00 58.31 52.18 3hpw n LYS 9 Cb 0.49 -2.64 -0.10 0.00 -0.02 0.00 0.00 35.03 32.76 3hpw n LYS 9 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3hpw s ARG 10 N -1.78 0.50 -0.07 1.97 3.52 -1.26 -4.65 118.95 117.18 3hpw s ARG 10 Ca 0.45 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 3hpw s ARG 10 Cb 0.15 0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 3hpw s ARG 10 CO -0.06 -0.12 1.58 -1.83 -0.81 0.00 0.00 175.30 174.06 3hpw s GLU 11 N -1.36 4.19 -0.12 5.12 4.04 -1.26 -4.93 118.70 124.37 3hpw s GLU 11 Ca -0.14 2.09 -0.32 0.00 0.04 0.00 0.00 54.97 56.64 3hpw s GLU 11 Cb -0.07 -3.94 0.13 0.00 0.02 0.00 0.00 34.13 30.26 3hpw s GLU 11 CO 0.02 -0.82 1.06 0.45 -1.84 0.00 0.00 175.26 174.13 3hpw s SER 12 N 3.08 -0.25 0.50 0.83 0.15 -1.26 -5.01 113.70 111.74 3hpw s SER 12 Ca 0.70 0.07 0.29 0.00 0.70 0.00 0.00 55.95 57.71 3hpw s SER 12 Cb -0.31 0.25 1.01 0.00 -1.71 0.00 0.00 66.02 65.26 3hpw s SER 12 CO 0.27 -0.38 1.85 0.03 1.20 0.00 0.00 173.24 176.21 3hpw h ARG 13 N 2.10 0.00 -6.70 5.44 3.08 -2.02 -3.43 114.38 112.85 3hpw h ARG 13 Ca -0.15 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.40 3hpw h ARG 13 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3hpw h ARG 13 CO 0.27 0.04 0.30 0.71 -1.07 0.00 0.00 179.97 180.22 3hpw s TYR 14 N -3.53 3.92 0.00 3.04 1.51 -1.26 -4.97 117.35 116.05 3hpw s TYR 14 Ca 0.03 1.81 0.00 0.00 -1.01 0.00 0.00 57.07 57.90 3hpw s TYR 14 Cb 0.08 -2.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.02 3hpw s TYR 14 CO 0.59 0.44 0.00 0.54 -1.11 0.00 0.00 175.55 176.01 3hpw n ARG 15 N 1.37 2.31 -4.03 -0.62 1.74 -1.26 -4.89 116.66 111.28 3hpw n ARG 15 Ca -0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.95 3hpw n ARG 15 Cb 0.48 -0.78 -0.11 0.00 -1.02 0.00 0.00 32.46 31.03 3hpw n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hpw s LEU 16 N -2.22 2.27 0.09 0.55 1.43 -1.26 -1.40 118.68 118.14 3hpw s LEU 16 Ca 0.00 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 3hpw s LEU 16 Cb 0.00 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 3hpw s LEU 16 CO 0.00 -0.27 0.10 0.72 0.23 0.00 0.00 176.35 177.13 3hpw s PHE 17 N -1.59 0.41 -0.18 0.29 -0.71 -0.66 -1.44 117.98 114.10 3hpw s PHE 17 Ca -0.11 -0.87 -0.02 0.00 -1.04 0.00 0.00 56.93 54.89 3hpw s PHE 17 Cb -0.09 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.48 3hpw s PHE 17 CO -0.01 -0.50 -0.08 0.54 -1.34 0.00 0.00 175.22 173.83 3hpw s VAL 18 N -3.92 3.29 0.10 -2.49 0.11 0.23 -1.10 120.40 116.61 3hpw s VAL 18 Ca 0.10 -0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 58.29 3hpw s VAL 18 Cb 0.06 -2.45 -0.08 0.00 -1.53 0.00 0.00 36.38 32.39 3hpw s VAL 18 CO -0.08 0.47 1.46 -0.62 -3.33 0.00 0.00 175.10 173.01 3hpw s ASP 19 N 0.93 6.75 0.00 3.54 -1.08 -0.44 -0.34 116.67 126.04 3hpw s ASP 19 Ca -0.01 2.37 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 3hpw s ASP 19 Cb -0.15 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 3hpw s ASP 19 CO 0.00 -0.73 0.68 1.33 0.52 0.00 0.00 175.17 176.98 3hpw n VAL 20 N 4.18 0.46 -2.69 1.11 0.24 -0.60 0.12 118.33 121.15 3hpw n VAL 20 Ca 0.13 -0.60 -0.34 0.00 -2.04 0.00 0.00 64.34 61.49 3hpw n VAL 20 Cb 0.42 0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 33.60 3hpw n VAL 20 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3hpw s GLN 21 N -0.46 4.13 0.49 7.34 0.74 -1.14 -4.93 119.66 125.83 3hpw s GLN 21 Ca 0.00 1.27 -0.24 0.00 0.05 0.00 0.00 55.36 56.44 3hpw s GLN 21 Cb 0.00 -2.27 -0.07 0.00 1.10 0.00 0.00 33.01 31.77 3hpw s GLN 21 CO 0.00 -0.14 1.39 0.45 -0.55 0.00 0.00 175.29 176.44 3hpw s SER 22 N -1.97 5.62 0.22 6.67 0.15 -1.26 -4.17 113.70 118.95 3hpw s SER 22 Ca 0.62 2.83 0.25 0.00 0.70 0.00 0.00 55.95 60.34 3hpw s SER 22 Cb -0.14 -2.64 0.91 0.00 -1.71 0.00 0.00 66.02 62.43 3hpw s SER 22 CO 0.18 -1.34 1.74 0.47 1.20 0.00 0.00 173.24 175.49 3hpw n ASP 23 N -0.57 0.69 -0.24 5.45 8.00 -1.26 -2.74 116.55 125.88 3hpw n ASP 23 Ca 0.07 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.32 3hpw n ASP 23 Cb 0.43 -0.78 0.38 0.00 -0.02 0.00 0.00 41.12 41.14 3hpw n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hpw n ILE 24 N -2.20 0.00 -3.55 0.53 3.06 -1.26 -4.76 119.36 111.18 3hpw n ILE 24 Ca 0.04 -0.13 -0.41 0.00 -2.50 0.00 0.00 62.75 59.75 3hpw n ILE 24 Cb 0.32 0.39 -0.11 0.00 0.54 0.00 0.00 39.64 40.78 3hpw n ILE 24 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 3hpw s ILE 25 N -2.50 4.91 -0.28 9.51 -1.09 -1.11 -5.06 121.20 125.58 3hpw s ILE 25 Ca 0.24 -0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 57.90 3hpw s ILE 25 Cb 0.19 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 3hpw s ILE 25 CO 0.52 -0.20 0.21 -0.62 -1.23 0.00 0.00 174.94 173.62 3hpw s ASP 26 N 1.63 6.04 -0.45 3.58 2.15 -1.26 -4.81 116.67 123.55 3hpw s ASP 26 Ca 0.04 0.02 0.03 0.00 0.43 0.00 0.00 52.55 53.07 3hpw s ASP 26 Cb -0.19 -2.13 0.12 0.00 -0.30 0.00 0.00 42.92 40.43 3hpw s ASP 26 CO 0.08 -0.06 0.20 0.42 -0.17 0.00 0.00 175.17 175.64 3hpw s THR 27 N 1.79 2.11 0.08 1.71 -4.23 -1.26 -5.09 115.64 110.75 3hpw s THR 27 Ca 0.08 -2.80 -0.36 0.00 -1.18 0.00 0.00 61.69 57.44 3hpw s THR 27 Cb -0.16 -2.50 -0.15 0.00 1.34 0.00 0.00 72.50 71.03 3hpw s THR 27 CO 0.11 -0.77 1.49 -2.65 -0.54 0.00 0.00 174.62 172.26 3hpw n PRO 28 N 3.58 1.61 -0.75 3.99 -0.02 -1.26 -1.39 135.00 140.77 3hpw n PRO 28 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3hpw n PRO 28 Cb 0.35 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3hpw n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hpw n GLY 29 N 3.09 1.19 3.08 -1.23 0.00 -1.26 -5.01 105.19 105.05 3hpw n GLY 29 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3hpw n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpw s ARG 30 N -0.12 0.54 -0.08 1.61 1.81 -0.48 -0.99 118.95 121.23 3hpw s ARG 30 Ca 0.00 -0.84 -0.07 0.00 -1.72 0.00 0.00 55.73 53.10 3hpw s ARG 30 Cb 0.00 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.73 3hpw s ARG 30 CO 0.00 -0.12 0.21 1.03 -0.68 0.00 0.00 175.30 175.74 3hpw s ARG 31 N -2.72 0.24 -0.05 3.54 1.81 -0.90 -4.53 118.95 116.33 3hpw s ARG 31 Ca -0.04 0.30 -0.30 0.00 -1.72 0.00 0.00 55.73 53.98 3hpw s ARG 31 Cb -0.01 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.57 3hpw s ARG 31 CO -0.05 -0.04 1.01 1.41 -0.68 0.00 0.00 175.30 176.94 3hpw s MET 32 N 0.21 4.49 0.03 3.54 -2.45 -1.26 -1.05 119.30 122.80 3hpw s MET 32 Ca -0.01 1.42 -0.02 0.00 -1.25 0.00 0.00 55.69 55.84 3hpw s MET 32 Cb -0.02 -3.50 -0.02 0.00 1.25 0.00 0.00 34.83 32.54 3hpw s MET 32 CO -0.00 -0.19 0.01 0.14 1.05 0.00 0.00 175.02 176.02 3hpw s VAL 33 N 1.51 0.15 -0.22 10.11 -7.23 -0.47 -1.56 120.40 122.69 3hpw s VAL 33 Ca 0.51 -1.25 -0.05 0.00 -1.81 0.00 0.00 61.98 59.37 3hpw s VAL 33 Cb -0.20 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.87 3hpw s VAL 33 CO 0.23 -0.69 0.01 -0.63 -0.31 0.00 0.00 175.10 173.71 3hpw s ILE 34 N -2.57 3.91 0.52 -0.62 1.01 0.54 -1.13 121.20 122.85 3hpw s ILE 34 Ca -0.05 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 3hpw s ILE 34 Cb -0.02 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.60 3hpw s ILE 34 CO -0.05 0.40 1.04 -2.16 0.00 0.00 0.00 174.94 174.17 3hpw s PRO 35 N 1.31 3.66 -0.13 2.79 0.04 -1.26 -0.60 135.00 140.80 3hpw s PRO 35 Ca 0.04 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 3hpw s PRO 35 Cb -0.15 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3hpw s PRO 35 CO 0.01 -0.54 0.08 -0.51 0.04 0.00 0.00 177.00 176.08 3hpw s LEU 36 N -3.82 3.98 0.03 -3.56 1.43 -0.52 -1.28 118.68 114.94 3hpw s LEU 36 Ca 0.66 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 3hpw s LEU 36 Cb -0.16 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3hpw s LEU 36 CO 0.26 0.32 -0.23 0.00 0.23 0.00 0.00 176.35 176.92 3hpw s ALA 37 N -0.51 2.37 0.08 4.21 0.00 -0.33 -4.49 121.76 123.10 3hpw s ALA 37 Ca 0.11 -1.22 -0.35 0.00 0.00 0.00 0.00 51.96 50.50 3hpw s ALA 37 Cb -0.12 -0.59 -0.14 0.00 0.00 0.00 0.00 23.12 22.28 3hpw s ALA 37 CO 0.02 0.55 1.60 0.43 0.00 0.00 0.00 175.76 178.36 3hpw n SER 38 N 1.78 2.88 0.20 0.00 7.64 -1.26 -0.23 113.62 124.63 3hpw n SER 38 Ca -0.17 1.07 0.09 0.00 1.01 0.00 0.00 58.87 60.87 3hpw n SER 38 Cb 0.52 -1.36 0.62 0.00 -1.01 0.00 0.00 64.21 62.97 3hpw n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hpw h ALA 39 N 6.34 2.00 0.00 -0.43 0.00 -1.47 0.13 119.26 125.84 3hpw h ALA 39 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hpw h ALA 39 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hpw h ALA 39 CO 0.88 -0.02 0.00 2.89 0.00 0.00 0.00 179.25 183.00 3hpw n ARG 40 N -4.52 0.13 0.00 0.00 1.85 -1.26 -1.90 116.66 110.96 3hpw n ARG 40 Ca -0.01 0.62 0.13 0.00 -1.00 0.00 0.00 57.85 57.59 3hpw n ARG 40 Cb 0.13 -1.93 0.41 0.00 -1.05 0.00 0.00 32.46 30.02 3hpw n ARG 40 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3hpw n LEU 41 N -2.21 0.44 -4.16 2.89 4.77 0.03 -4.85 117.00 113.91 3hpw n LEU 41 Ca -0.01 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 3hpw n LEU 41 Cb 0.04 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 3hpw n LEU 41 CO 0.09 0.10 -0.50 -0.76 -1.33 0.00 0.00 177.39 174.99 3hpw s LEU 42 N -2.86 2.04 0.83 2.23 2.01 -0.80 -5.11 118.68 117.03 3hpw s LEU 42 Ca 0.16 -0.32 -0.12 0.00 0.01 0.00 0.00 54.13 53.86 3hpw s LEU 42 Cb 0.18 -0.88 0.11 0.00 0.01 0.00 0.00 46.19 45.61 3hpw s LEU 42 CO 0.61 0.21 1.19 -0.94 1.01 0.00 0.00 176.35 178.42 3hpw s SER 43 N -0.45 4.19 0.00 2.29 1.04 -1.26 -4.96 113.70 114.55 3hpw s SER 43 Ca 0.07 0.58 0.20 0.00 0.48 0.00 0.00 55.95 57.27 3hpw s SER 43 Cb -0.07 -0.97 0.98 0.00 0.10 0.00 0.00 66.02 66.06 3hpw s SER 43 CO -0.01 -2.08 1.64 0.47 0.98 0.00 0.00 173.24 174.25 3hpw n ASP 44 N -3.37 0.00 0.17 7.02 9.92 -1.26 -2.18 116.55 126.85 3hpw n ASP 44 Ca 0.10 0.14 0.13 0.00 -0.53 0.00 0.00 54.79 54.64 3hpw n ASP 44 Cb 0.61 -0.35 0.54 0.00 -0.64 0.00 0.00 41.12 41.28 3hpw n ASP 44 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3hpw h LYS 45 N 0.00 0.00 -5.92 -1.24 1.57 -2.01 -3.43 116.57 105.54 3hpw h LYS 45 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3hpw h LYS 45 Cb 0.24 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 3hpw h LYS 45 CO 0.00 0.00 0.61 0.08 -0.57 0.00 0.00 179.45 179.57 3hpw s VAL 46 N -3.41 4.76 -0.05 0.50 1.01 -0.93 -4.97 120.40 117.31 3hpw s VAL 46 Ca 0.03 1.72 -0.37 0.00 0.00 0.00 0.00 61.98 63.37 3hpw s VAL 46 Cb 0.09 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 3hpw s VAL 46 CO 0.44 -0.14 1.60 -0.24 0.00 0.00 0.00 175.10 176.76 3hpw n SER 47 N 6.18 2.43 0.20 3.32 2.88 -1.26 -4.87 113.62 122.50 3hpw n SER 47 Ca 0.08 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.82 3hpw n SER 47 Cb 0.47 -1.24 0.30 0.00 -0.75 0.00 0.00 64.21 62.99 3hpw n SER 47 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3hpw h ARG 48 N 6.42 0.00 -0.23 -1.46 3.08 -1.91 -0.10 114.38 120.18 3hpw h ARG 48 Ca -0.47 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.48 3hpw h ARG 48 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3hpw h ARG 48 CO 0.88 0.00 -0.27 0.93 -1.07 0.00 0.00 179.97 180.45 3hpw h GLU 49 N 0.00 0.58 0.05 0.04 3.07 -1.97 -2.98 114.58 113.37 3hpw h GLU 49 Ca 0.00 -0.32 -0.26 0.00 -0.50 0.00 0.00 59.36 58.27 3hpw h GLU 49 Cb 0.85 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 3hpw h GLU 49 CO 0.00 0.92 -1.35 1.25 -1.40 0.00 0.00 179.01 178.43 3hpw h LEU 50 N 0.28 0.15 -6.70 1.33 5.85 -1.87 -3.31 115.31 111.03 3hpw h LEU 50 Ca 0.03 -0.20 -0.61 0.00 0.84 0.00 0.00 57.88 57.94 3hpw h LEU 50 Cb 0.83 -0.05 -0.41 0.00 0.37 0.00 0.00 40.66 41.41 3hpw h LEU 50 CO 0.06 1.17 -0.73 -1.22 -0.34 0.00 0.00 178.44 177.39 3hpw n TYR 51 N -3.32 1.84 -1.62 1.25 4.01 -0.05 -4.42 117.16 114.85 3hpw n TYR 51 Ca -0.10 -3.95 -0.37 0.00 -0.16 0.00 0.00 57.90 53.32 3hpw n TYR 51 Cb 1.00 -0.34 0.08 0.00 -0.31 0.00 0.00 39.34 39.77 3hpw n TYR 51 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3hpw n PRO 52 N 2.06 0.94 -3.78 -0.72 -0.02 -1.13 -4.35 135.00 128.00 3hpw n PRO 52 Ca 0.24 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 3hpw n PRO 52 Cb 0.41 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.34 3hpw n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hpw s VAL 53 N -1.51 5.17 0.06 -1.45 1.01 -1.26 -0.53 120.40 121.89 3hpw s VAL 53 Ca 0.80 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.96 3hpw s VAL 53 Cb -0.37 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3hpw s VAL 53 CO 0.43 0.41 -0.20 0.68 0.00 0.00 0.00 175.10 176.42 3hpw s VAL 54 N 0.65 1.60 -0.23 2.92 -7.23 0.48 -4.97 120.40 113.63 3hpw s VAL 54 Ca 0.06 -1.24 -0.04 0.00 -1.81 0.00 0.00 61.98 58.95 3hpw s VAL 54 Cb -0.12 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 3hpw s VAL 54 CO 0.01 0.12 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.88 3hpw s HIS 55 N -0.89 2.98 -0.26 2.82 3.76 -1.26 -0.48 115.29 121.96 3hpw s HIS 55 Ca 0.06 -1.00 0.03 0.00 -0.15 0.00 0.00 55.06 54.00 3hpw s HIS 55 Cb -0.09 -2.11 0.06 0.00 1.11 0.00 0.00 32.58 31.55 3hpw s HIS 55 CO 0.02 -0.57 -0.09 0.42 -0.85 0.00 0.00 174.74 173.67 3hpw s ILE 56 N 1.47 2.07 0.00 0.60 1.01 -0.11 -5.00 121.20 121.23 3hpw s ILE 56 Ca 0.05 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.08 3hpw s ILE 56 Cb -0.15 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.10 3hpw s ILE 56 CO -0.03 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3hpw n GLY 57 N 4.46 3.81 0.61 6.18 0.00 -1.26 -1.69 105.19 117.29 3hpw n GLY 57 Ca -0.13 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3hpw n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hpw n ASP 58 N 6.36 1.79 -4.51 1.61 10.43 -1.26 -4.90 116.55 126.08 3hpw n ASP 58 Ca 0.00 -1.83 -0.31 0.00 2.57 0.00 0.00 54.79 55.21 3hpw n ASP 58 Cb 0.00 -0.16 -0.12 0.00 1.84 0.00 0.00 41.12 42.68 3hpw n ASP 58 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3hpw s GLU 59 N -1.67 2.24 -0.09 -1.24 8.01 -0.68 -5.12 118.70 120.15 3hpw s GLU 59 Ca 0.29 -0.89 -0.00 0.00 0.01 0.00 0.00 54.97 54.37 3hpw s GLU 59 Cb 0.15 -2.30 -0.03 0.00 -4.31 0.00 0.00 34.13 27.65 3hpw s GLU 59 CO 0.22 0.56 -0.05 -1.12 0.01 0.00 0.00 175.26 174.88 3hpw s SER 60 N -1.45 4.76 0.01 -0.19 0.01 -1.26 -0.94 113.70 114.65 3hpw s SER 60 Ca 0.16 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.44 3hpw s SER 60 Cb -0.11 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 3hpw s SER 60 CO 0.06 0.33 -0.11 0.26 0.41 0.00 0.00 173.24 174.19 3hpw s TRP 61 N -0.62 1.01 -0.11 2.43 0.52 0.37 -1.26 118.94 121.28 3hpw s TRP 61 Ca 0.09 -0.26 -0.13 0.00 0.02 0.00 0.00 56.10 55.82 3hpw s TRP 61 Cb -0.12 -0.63 -0.05 0.00 -1.15 0.00 0.00 33.47 31.53 3hpw s TRP 61 CO 0.02 -0.00 0.32 1.03 0.02 0.00 0.00 176.95 178.33 3hpw s ARG 62 N -0.64 4.05 -0.39 4.98 1.81 0.68 -0.38 118.95 129.06 3hpw s ARG 62 Ca 0.02 0.18 -0.27 0.00 -1.72 0.00 0.00 55.73 53.94 3hpw s ARG 62 Cb -0.06 -3.34 0.02 0.00 -0.45 0.00 0.00 34.95 31.13 3hpw s ARG 62 CO 0.00 0.43 1.00 -1.64 -0.68 0.00 0.00 175.30 174.42 3hpw s MET 63 N -0.16 3.83 -1.35 3.54 -1.94 0.31 -1.18 119.30 122.35 3hpw s MET 63 Ca 0.19 0.64 -0.11 0.00 -1.71 0.00 0.00 55.69 54.70 3hpw s MET 63 Cb -0.14 -3.82 0.11 0.00 2.01 0.00 0.00 34.83 32.99 3hpw s MET 63 CO 0.07 -1.05 2.05 -1.33 -0.01 0.00 0.00 175.02 174.75 3hpw n MET 64 N 7.05 3.40 -0.21 2.03 0.00 -0.40 -4.04 117.12 124.95 3hpw n MET 64 Ca 0.09 -3.16 0.02 0.00 0.00 0.00 0.00 57.70 54.64 3hpw n MET 64 Cb 0.48 -3.04 0.11 0.00 0.00 0.00 0.00 33.22 30.78 3hpw n MET 64 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3hpw h THR 65 N 3.76 0.52 0.00 2.03 2.02 -1.84 -0.26 112.91 119.13 3hpw h THR 65 Ca 0.48 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.61 3hpw h THR 65 Cb 0.61 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3hpw h THR 65 CO 1.72 0.03 0.00 0.35 0.37 0.00 0.00 175.52 177.99 3hpw n THR 66 N -5.24 0.76 -0.99 3.16 -2.24 -1.26 -1.90 114.28 106.56 3hpw n THR 66 Ca 0.10 0.14 0.01 0.00 -2.27 0.00 0.00 64.05 62.03 3hpw n THR 66 Cb 0.36 -0.95 0.35 0.00 -2.10 0.00 0.00 70.33 67.99 3hpw n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hpw n ASP 67 N -1.88 5.10 -4.69 3.42 2.03 -0.11 -5.01 116.55 115.42 3hpw n ASP 67 Ca 0.04 -3.09 -0.35 0.00 0.52 0.00 0.00 54.79 51.90 3hpw n ASP 67 Cb 0.25 -0.70 0.09 0.00 -0.72 0.00 0.00 41.12 40.05 3hpw n ASP 67 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3hpw n MET 68 N 0.13 0.63 -3.53 -0.67 0.00 -0.80 -4.59 117.12 108.29 3hpw n MET 68 Ca 0.33 0.28 -0.17 0.00 0.00 0.00 0.00 57.70 58.13 3hpw n MET 68 Cb 1.25 -2.42 -0.06 0.00 0.00 0.00 0.00 33.22 31.99 3hpw n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hpw s ALA 69 N -1.76 -1.78 0.14 3.17 0.00 -0.28 -4.97 121.76 116.28 3hpw s ALA 69 Ca 0.77 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.81 3hpw s ALA 69 Cb -0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.60 3hpw s ALA 69 CO 0.47 -0.37 1.07 -1.12 0.00 0.00 0.00 175.76 175.81 3hpw s SER 70 N -1.06 7.31 0.20 0.00 0.01 -1.26 -1.37 113.70 117.53 3hpw s SER 70 Ca -0.10 1.99 0.11 0.00 1.31 0.00 0.00 55.95 59.25 3hpw s SER 70 Cb -0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3hpw s SER 70 CO 0.09 -0.21 -0.21 0.68 0.41 0.00 0.00 173.24 173.99 3hpw s VAL 71 N 0.04 2.22 0.40 3.43 -7.23 -0.22 -4.89 120.40 114.15 3hpw s VAL 71 Ca 0.50 -2.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.34 3hpw s VAL 71 Cb -0.27 -2.08 -0.08 0.00 0.56 0.00 0.00 36.38 34.50 3hpw s VAL 71 CO 0.33 -0.23 1.23 -2.16 -0.31 0.00 0.00 175.10 173.95 3hpw s PRO 72 N -2.88 4.01 0.56 4.82 0.04 -1.26 -2.13 135.00 138.16 3hpw s PRO 72 Ca 0.21 1.98 0.26 0.00 0.04 0.00 0.00 61.00 63.50 3hpw s PRO 72 Cb -0.07 -2.72 1.50 0.00 0.04 0.00 0.00 34.50 33.26 3hpw s PRO 72 CO 0.10 -0.40 2.04 0.28 0.04 0.00 0.00 177.00 179.06 3hpw h VAL 73 N 2.39 0.60 0.00 -0.36 2.07 -1.42 -1.30 116.25 118.22 3hpw h VAL 73 Ca -0.49 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hpw h VAL 73 Cb 1.24 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3hpw h VAL 73 CO 0.63 0.00 -0.00 0.77 0.02 0.00 0.00 177.57 178.98 3hpw h SER 74 N 0.00 0.00 -0.45 0.57 4.64 -1.91 -1.69 113.55 114.72 3hpw h SER 74 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3hpw h SER 74 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3hpw h SER 74 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3hpw n VAL 75 N -3.41 0.67 -2.99 0.95 0.24 -0.49 -4.87 118.33 108.43 3hpw n VAL 75 Ca -0.03 -0.83 -0.43 0.00 -2.04 0.00 0.00 64.34 61.01 3hpw n VAL 75 Cb 0.08 0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 3hpw n VAL 75 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3hpw s ILE 76 N -1.25 4.68 0.00 1.34 1.01 -0.64 -0.82 121.20 125.53 3hpw s ILE 76 Ca 0.37 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.40 3hpw s ILE 76 Cb 0.21 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3hpw s ILE 76 CO 0.29 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 175.14 3hpw n GLY 77 N 4.99 0.13 3.78 6.18 0.00 0.11 -4.93 105.19 115.45 3hpw n GLY 77 Ca 0.02 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 3hpw n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hpw s GLU 78 N 0.84 3.10 0.26 1.61 1.03 -1.26 -4.48 118.70 119.80 3hpw s GLU 78 Ca 0.00 1.45 -0.30 0.00 0.03 0.00 0.00 54.97 56.15 3hpw s GLU 78 Cb 0.00 -1.99 -0.10 0.00 -0.80 0.00 0.00 34.13 31.25 3hpw s GLU 78 CO 0.00 -1.02 1.33 -2.00 -1.33 0.00 0.00 175.26 172.24 3hpw s GLU 79 N -3.77 4.36 0.00 -4.83 2.12 -1.26 -1.80 118.70 113.52 3hpw s GLU 79 Ca 0.69 2.15 0.00 0.00 0.36 0.00 0.00 54.97 58.17 3hpw s GLU 79 Cb -0.21 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3hpw s GLU 79 CO 0.35 -0.25 0.00 1.33 -0.54 0.00 0.00 175.26 176.15 3hpw n VAL 80 N 1.90 0.00 -3.80 3.70 0.24 0.71 -4.94 118.33 116.14 3hpw n VAL 80 Ca 0.04 -0.13 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 3hpw n VAL 80 Cb 0.42 0.60 -0.01 0.00 -1.47 0.00 0.00 33.84 33.38 3hpw n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hpw s ALA 81 N -1.43 -1.48 -0.07 2.33 0.00 -1.19 -5.01 121.76 114.92 3hpw s ALA 81 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.89 3hpw s ALA 81 Cb 0.00 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3hpw s ALA 81 CO 0.00 -1.04 -0.13 0.34 0.00 0.00 0.00 175.76 174.92 3hpw s ASP 82 N -2.99 1.91 -0.19 0.00 3.68 -1.26 -0.89 116.67 116.93 3hpw s ASP 82 Ca 0.13 -0.33 0.15 0.00 2.13 0.00 0.00 52.55 54.64 3hpw s ASP 82 Cb -0.03 -0.89 0.44 0.00 -1.45 0.00 0.00 42.92 40.99 3hpw s ASP 82 CO 0.04 0.05 1.33 0.18 0.13 0.00 0.00 175.17 176.90 3hpw n LEU 83 N 3.79 3.34 0.25 -1.34 4.77 0.67 -4.72 117.00 123.75 3hpw n LEU 83 Ca -0.22 -3.27 0.13 0.00 -0.03 0.00 0.00 56.01 52.61 3hpw n LEU 83 Cb 0.52 -0.53 0.78 0.00 -2.33 0.00 0.00 43.42 41.86 3hpw n LEU 83 CO 0.26 0.87 1.11 0.77 -1.33 0.00 0.00 177.39 179.06 3hpw h SER 84 N 0.99 0.00 0.53 -1.43 4.64 -1.91 0.75 113.55 117.13 3hpw h SER 84 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hpw h SER 84 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hpw h SER 84 CO 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3hpw n HIS 85 N -4.15 0.35 -1.01 4.77 1.44 -1.26 -2.02 115.22 113.33 3hpw n HIS 85 Ca -0.01 0.14 0.05 0.00 -2.01 0.00 0.00 57.72 55.88 3hpw n HIS 85 Cb 0.16 -0.73 0.31 0.00 0.12 0.00 0.00 29.99 29.84 3hpw n HIS 85 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3hpw n ARG 86 N -1.82 3.57 -0.26 -1.40 5.12 0.26 -4.71 116.66 117.41 3hpw n ARG 86 Ca 0.02 -3.01 0.03 0.00 -1.93 0.00 0.00 57.85 52.97 3hpw n ARG 86 Cb 0.17 -2.04 0.16 0.00 -1.16 0.00 0.00 32.46 29.60 3hpw n ARG 86 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3hpw h GLU 87 N 2.53 0.54 -0.30 5.56 4.81 -1.47 -0.97 114.58 125.29 3hpw h GLU 87 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3hpw h GLU 87 Cb 1.78 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 3hpw h GLU 87 CO 0.41 0.36 0.09 -0.91 -0.73 0.00 0.00 179.01 178.23 3hpw h ASN 88 N 0.56 0.44 -0.60 1.04 2.35 -1.86 0.52 115.58 118.02 3hpw h ASN 88 Ca 0.39 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 3hpw h ASN 88 Cb 0.49 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3hpw h ASN 88 CO -0.32 0.52 0.23 0.44 -1.65 0.00 0.00 177.43 176.65 3hpw h ASP 89 N 0.32 0.87 -0.21 5.81 3.45 -1.81 -0.59 116.42 124.26 3hpw h ASP 89 Ca 0.10 -0.13 -0.14 0.00 0.43 0.00 0.00 57.03 57.29 3hpw h ASP 89 Cb 0.24 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 3hpw h ASP 89 CO -0.00 0.79 -0.41 0.40 -1.57 0.00 0.00 179.24 178.45 3hpw h ILE 90 N 0.92 1.32 -0.62 0.35 2.04 -0.76 -1.13 117.51 119.64 3hpw h ILE 90 Ca 0.21 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.45 3hpw h ILE 90 Cb 0.22 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3hpw h ILE 90 CO -0.01 0.51 0.40 0.50 0.00 0.00 0.00 178.15 179.55 3hpw h LYS 91 N 0.34 0.82 -0.87 2.37 1.63 -0.82 -1.62 116.57 118.42 3hpw h LYS 91 Ca 0.01 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3hpw h LYS 91 Cb 1.01 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.42 3hpw h LYS 91 CO 0.09 0.56 0.45 -0.91 -3.45 0.00 0.00 179.45 176.19 3hpw h ASN 92 N 0.84 1.11 -0.25 4.20 2.35 -0.94 -0.10 115.58 122.79 3hpw h ASN 92 Ca 0.23 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3hpw h ASN 92 Cb -0.08 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 37.99 3hpw h ASN 92 CO -0.05 0.91 0.05 0.00 -1.65 0.00 0.00 177.43 176.70 3hpw h ALA 93 N 1.26 0.33 -0.28 -0.83 0.00 -0.79 -1.00 119.26 117.94 3hpw h ALA 93 Ca 0.30 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3hpw h ALA 93 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hpw h ALA 93 CO -0.04 -0.01 -0.24 0.82 0.00 0.00 0.00 179.25 179.77 3hpw h ILE 94 N 0.22 1.30 -0.10 0.00 2.04 -1.15 -2.14 117.51 117.69 3hpw h ILE 94 Ca 0.08 -1.40 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 3hpw h ILE 94 Cb 0.29 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3hpw h ILE 94 CO 0.00 0.45 -0.17 0.78 0.00 0.00 0.00 178.15 179.20 3hpw h ASN 95 N 0.41 0.16 -0.40 1.72 2.35 -1.00 -2.34 115.58 116.48 3hpw h ASN 95 Ca 0.05 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3hpw h ASN 95 Cb 0.80 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 3hpw h ASN 95 CO 0.06 0.35 0.10 0.25 -1.65 0.00 0.00 177.43 176.54 3hpw h LEU 96 N 0.16 0.60 -0.64 1.61 5.85 -0.92 0.76 115.31 122.74 3hpw h LEU 96 Ca 0.03 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3hpw h LEU 96 Cb 0.41 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3hpw h LEU 96 CO 0.03 0.67 0.35 -0.03 -0.34 0.00 0.00 178.44 179.12 3hpw h MET 97 N 0.50 0.63 0.09 1.25 4.05 -0.87 -0.46 114.93 120.13 3hpw h MET 97 Ca 0.12 -0.04 -0.18 0.00 -0.28 0.00 0.00 59.70 59.33 3hpw h MET 97 Cb 0.31 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 30.97 3hpw h MET 97 CO 0.00 0.42 -0.86 0.74 0.23 0.00 0.00 176.91 177.43 3hpw h PHE 98 N 0.65 0.36 -0.02 1.39 0.04 -1.45 -3.42 116.94 114.50 3hpw h PHE 98 Ca 0.28 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3hpw h PHE 98 Cb 0.18 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3hpw h PHE 98 CO -0.08 1.33 0.00 0.91 -0.60 0.00 0.00 178.31 179.87 3hpw n TRP 99 N -4.19 0.01 -2.57 -0.55 5.03 0.26 -5.00 117.44 110.43 3hpw n TRP 99 Ca -0.18 -0.01 -0.15 0.00 3.03 0.00 0.00 57.50 60.18 3hpw n TRP 99 Cb 0.77 -0.00 0.01 0.00 -1.03 0.00 0.00 31.31 31.06 3hpw n TRP 99 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3hpw n GLY 100 N 0.52 -0.20 0.02 6.99 0.00 -0.18 -4.97 105.19 107.36 3hpw n GLY 100 Ca 0.06 -0.19 0.16 0.00 0.00 0.00 0.00 46.02 46.04 3hpw n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61