#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 2.45 -0.53 2.12 7.27 -1.26 -2.07 117.38 125.36 3hpw n GLN 2 Ca 0.00 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.94 3hpw n GLN 2 Cb 0.00 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.03 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 2.38 0.00 -2.68 3.69 3.72 0.10 -4.86 117.46 119.81 3hpw n PHE 3 Ca 0.11 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.16 3hpw n PHE 3 Cb 0.34 -0.34 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.16 4.16 -0.15 -1.08 -0.14 -0.88 -0.33 119.74 121.16 3hpw s LYS 4 Ca 0.00 1.30 -0.05 0.00 -1.36 0.00 0.00 55.97 55.86 3hpw s LYS 4 Cb 0.00 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.78 3hpw s LYS 4 CO 0.00 -0.11 0.02 0.08 -0.76 0.00 0.00 175.35 174.58 3hpw s VAL 5 N -1.92 4.44 0.12 3.17 1.01 0.09 -1.14 120.40 126.17 3hpw s VAL 5 Ca 0.61 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.49 3hpw s VAL 5 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3hpw s VAL 5 CO 0.20 0.50 -0.17 -0.31 0.00 0.00 0.00 175.10 175.32 3hpw s TYR 6 N 0.10 1.61 0.68 5.22 1.51 -0.08 -0.46 117.35 125.92 3hpw s TYR 6 Ca 0.03 -0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 55.50 3hpw s TYR 6 Cb -0.13 -0.85 -0.00 0.00 -0.11 0.00 0.00 41.96 40.87 3hpw s TYR 6 CO 0.01 0.20 1.05 0.95 -1.11 0.00 0.00 175.55 176.66 3hpw s THR 7 N -1.71 4.19 -0.22 -0.71 -4.23 -0.50 -1.48 115.64 110.98 3hpw s THR 7 Ca 0.09 0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 3hpw s THR 7 Cb -0.07 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3hpw s THR 7 CO 0.04 -0.93 -0.06 -0.47 -0.54 0.00 0.00 174.62 172.66 3hpw s TYR 8 N -3.09 2.96 -0.76 3.99 5.04 -0.97 -0.21 117.35 124.31 3hpw s TYR 8 Ca 0.57 -1.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.01 3hpw s TYR 8 Cb -0.13 -2.08 0.05 0.00 0.35 0.00 0.00 41.96 40.15 3hpw s TYR 8 CO 0.55 -0.62 2.72 1.63 -1.34 0.00 0.00 175.55 178.49 3hpw n LYS 9 N 4.76 3.17 -3.70 4.97 5.02 0.21 -4.81 118.16 127.78 3hpw n LYS 9 Ca -0.18 -2.61 -0.14 0.00 -2.02 0.00 0.00 58.31 53.35 3hpw n LYS 9 Cb 0.50 -2.32 -0.08 0.00 -0.02 0.00 0.00 35.03 33.11 3hpw n LYS 9 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hpw s ARG 10 N -1.17 0.74 0.18 1.97 1.81 -1.26 -4.86 118.95 116.37 3hpw s ARG 10 Ca 0.58 0.03 -0.31 0.00 -1.72 0.00 0.00 55.73 54.32 3hpw s ARG 10 Cb 0.30 0.34 -0.09 0.00 -0.45 0.00 0.00 34.95 35.05 3hpw s ARG 10 CO -0.16 -0.20 1.40 -2.00 -0.68 0.00 0.00 175.30 173.66 3hpw s GLU 11 N -1.07 4.31 -0.12 3.54 2.12 -1.26 -4.98 118.70 121.25 3hpw s GLU 11 Ca -0.11 2.16 -0.32 0.00 0.36 0.00 0.00 54.97 57.06 3hpw s GLU 11 Cb -0.04 -3.18 0.13 0.00 0.26 0.00 0.00 34.13 31.30 3hpw s GLU 11 CO 0.05 -0.40 1.07 0.45 -0.54 0.00 0.00 175.26 175.90 3hpw s SER 12 N 0.67 -0.24 0.52 -1.70 0.15 -1.26 -5.00 113.70 106.84 3hpw s SER 12 Ca 0.61 0.03 0.26 0.00 0.70 0.00 0.00 55.95 57.55 3hpw s SER 12 Cb -0.39 0.25 1.46 0.00 -1.71 0.00 0.00 66.02 65.63 3hpw s SER 12 CO 0.36 -0.39 2.10 0.08 1.20 0.00 0.00 173.24 176.59 3hpw h ARG 13 N 2.04 0.00 -5.54 5.44 0.11 -2.02 -3.41 114.38 111.00 3hpw h ARG 13 Ca -0.15 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.28 3hpw h ARG 13 Cb 1.20 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.18 3hpw h ARG 13 CO 0.27 0.11 -0.49 0.71 0.10 0.00 0.00 179.97 180.66 3hpw s TYR 14 N -4.34 3.51 -0.01 4.08 2.02 -1.26 -4.99 117.35 116.37 3hpw s TYR 14 Ca -0.03 0.44 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 3hpw s TYR 14 Cb 0.14 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 3hpw s TYR 14 CO 0.59 0.58 0.05 0.54 -1.57 0.00 0.00 175.55 175.75 3hpw n ARG 15 N 2.48 0.39 -4.16 -0.62 5.12 -1.26 -4.90 116.66 113.72 3hpw n ARG 15 Ca -0.19 -0.02 -0.14 0.00 -1.93 0.00 0.00 57.85 55.57 3hpw n ARG 15 Cb 0.54 -1.06 -0.11 0.00 -1.16 0.00 0.00 32.46 30.67 3hpw n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hpw s LEU 16 N -3.27 2.37 0.04 0.55 1.43 -1.26 -2.28 118.68 116.25 3hpw s LEU 16 Ca -0.01 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 3hpw s LEU 16 Cb 0.02 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.95 3hpw s LEU 16 CO 0.11 -0.24 0.22 0.72 0.23 0.00 0.00 176.35 177.39 3hpw s PHE 17 N -2.18 0.01 -0.22 0.29 -0.71 -0.55 -1.32 117.98 113.30 3hpw s PHE 17 Ca 0.02 -0.19 -0.09 0.00 -1.04 0.00 0.00 56.93 55.63 3hpw s PHE 17 Cb -0.04 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 3hpw s PHE 17 CO 0.00 -0.44 0.11 0.54 -1.34 0.00 0.00 175.22 174.09 3hpw s VAL 18 N -2.46 4.94 0.09 -2.49 0.11 0.32 -0.90 120.40 120.00 3hpw s VAL 18 Ca -0.06 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.71 3hpw s VAL 18 Cb -0.01 -3.28 -0.08 0.00 -1.53 0.00 0.00 36.38 31.48 3hpw s VAL 18 CO -0.03 0.39 1.54 -0.62 -3.33 0.00 0.00 175.10 173.04 3hpw s ASP 19 N 0.90 6.69 0.00 3.54 -1.08 -0.29 -0.72 116.67 125.70 3hpw s ASP 19 Ca 0.05 2.42 0.00 0.00 -0.52 0.00 0.00 52.55 54.50 3hpw s ASP 19 Cb -0.13 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 3hpw s ASP 19 CO 0.03 -0.80 0.76 1.33 0.52 0.00 0.00 175.17 177.01 3hpw n VAL 20 N 4.37 0.57 -2.89 1.11 0.24 -0.57 0.02 118.33 121.19 3hpw n VAL 20 Ca 0.14 -0.71 -0.36 0.00 -2.04 0.00 0.00 64.34 61.38 3hpw n VAL 20 Cb 0.41 0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.57 4.41 0.52 7.34 0.74 -1.19 -4.94 119.66 125.97 3hpw s GLN 21 Ca 0.00 1.14 -0.23 0.00 0.05 0.00 0.00 55.36 56.32 3hpw s GLN 21 Cb 0.00 -2.70 -0.06 0.00 1.10 0.00 0.00 33.01 31.35 3hpw s GLN 21 CO 0.00 0.25 1.35 0.45 -0.55 0.00 0.00 175.29 176.79 3hpw n SER 22 N 0.35 2.71 0.00 6.67 2.88 -1.26 -4.15 113.62 120.82 3hpw n SER 22 Ca 0.02 1.01 0.11 0.00 -1.33 0.00 0.00 58.87 58.68 3hpw n SER 22 Cb 0.51 -1.57 0.48 0.00 -0.75 0.00 0.00 64.21 62.89 3hpw n SER 22 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hpw n ASP 23 N -0.74 0.03 0.01 -3.46 8.00 -1.26 -2.73 116.55 116.39 3hpw n ASP 23 Ca 0.09 0.50 0.12 0.00 0.71 0.00 0.00 54.79 56.21 3hpw n ASP 23 Cb 0.44 -0.51 0.16 0.00 -0.02 0.00 0.00 41.12 41.19 3hpw n ASP 23 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3hpw n ILE 24 N -1.53 0.06 -3.35 0.53 -5.35 -1.26 -4.65 119.36 103.82 3hpw n ILE 24 Ca 0.05 -0.06 -0.45 0.00 -0.27 0.00 0.00 62.75 62.02 3hpw n ILE 24 Cb 0.27 0.29 -0.05 0.00 -1.74 0.00 0.00 39.64 38.41 3hpw n ILE 24 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hpw s ILE 25 N -3.05 5.14 -0.41 7.28 -1.09 -1.11 -5.03 121.20 122.93 3hpw s ILE 25 Ca 0.09 -1.72 -0.12 0.00 -2.23 0.00 0.00 60.65 56.66 3hpw s ILE 25 Cb 0.16 -4.28 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3hpw s ILE 25 CO 0.74 -0.89 0.27 -0.62 -1.23 0.00 0.00 174.94 173.21 3hpw s ASP 26 N 3.20 5.88 -0.64 3.58 2.15 -1.26 -4.74 116.67 124.85 3hpw s ASP 26 Ca 0.06 -1.11 -0.10 0.00 0.43 0.00 0.00 52.55 51.82 3hpw s ASP 26 Cb -0.26 -2.08 0.16 0.00 -0.30 0.00 0.00 42.92 40.44 3hpw s ASP 26 CO 0.00 -0.47 0.53 0.42 -0.17 0.00 0.00 175.17 175.48 3hpw s THR 27 N 1.58 4.73 0.07 1.71 -4.23 -1.26 -5.05 115.64 113.18 3hpw s THR 27 Ca 0.03 -2.23 -0.35 0.00 -1.18 0.00 0.00 61.69 57.96 3hpw s THR 27 Cb -0.21 -4.02 -0.14 0.00 1.34 0.00 0.00 72.50 69.48 3hpw s THR 27 CO 0.07 -0.90 1.63 -2.65 -0.54 0.00 0.00 174.62 172.23 3hpw n PRO 28 N 4.33 1.97 -0.41 3.99 -0.02 -1.26 -1.68 135.00 141.92 3hpw n PRO 28 Ca 0.02 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hpw n PRO 28 Cb 0.42 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.58 0.92 3.16 -1.23 0.00 -1.26 -5.04 105.19 105.32 3hpw n GLY 29 Ca 0.19 0.00 -0.10 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 -0.48 0.69 -0.02 1.61 0.52 -0.67 -0.89 118.95 119.70 3hpw s ARG 30 Ca 0.00 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 54.37 3hpw s ARG 30 Cb 0.00 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.76 3hpw s ARG 30 CO 0.00 -0.20 0.15 1.03 0.02 0.00 0.00 175.30 176.31 3hpw s ARG 31 N -2.96 0.38 -0.03 3.54 1.81 -0.69 -4.52 118.95 116.48 3hpw s ARG 31 Ca -0.02 -0.15 -0.27 0.00 -1.72 0.00 0.00 55.73 53.57 3hpw s ARG 31 Cb 0.01 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.64 3hpw s ARG 31 CO -0.06 -0.08 0.86 1.41 -0.68 0.00 0.00 175.30 176.75 3hpw s MET 32 N -0.80 4.51 0.09 3.54 -2.45 -1.26 -1.38 119.30 121.54 3hpw s MET 32 Ca -0.09 1.19 0.00 0.00 -1.25 0.00 0.00 55.69 55.55 3hpw s MET 32 Cb -0.05 -3.45 -0.04 0.00 1.25 0.00 0.00 34.83 32.54 3hpw s MET 32 CO 0.01 0.00 -0.03 0.14 1.05 0.00 0.00 175.02 176.19 3hpw s VAL 33 N 0.90 0.45 -0.15 10.11 -7.23 -0.26 -1.51 120.40 122.71 3hpw s VAL 33 Ca 0.46 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 3hpw s VAL 33 Cb -0.20 -1.69 0.02 0.00 0.56 0.00 0.00 36.38 35.07 3hpw s VAL 33 CO 0.24 -0.85 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.35 3hpw s ILE 34 N -3.78 1.94 0.63 -0.62 1.01 0.10 -1.36 121.20 119.11 3hpw s ILE 34 Ca 0.12 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 3hpw s ILE 34 Cb 0.07 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3hpw s ILE 34 CO -0.05 0.52 1.12 -2.16 0.00 0.00 0.00 174.94 174.37 3hpw s PRO 35 N 1.11 2.96 0.02 2.79 0.04 -1.26 -0.52 135.00 140.13 3hpw s PRO 35 Ca -0.01 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.52 3hpw s PRO 35 Cb -0.14 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3hpw s PRO 35 CO -0.07 -1.14 0.01 -0.51 0.04 0.00 0.00 177.00 175.33 3hpw s LEU 36 N -4.55 3.56 0.08 -3.56 1.43 -0.43 -1.10 118.68 114.11 3hpw s LEU 36 Ca 0.69 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 3hpw s LEU 36 Cb -0.22 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 3hpw s LEU 36 CO 0.37 0.26 -0.22 0.00 0.23 0.00 0.00 176.35 176.99 3hpw s ALA 37 N -1.15 1.86 0.16 4.21 0.00 -0.47 -4.45 121.76 121.92 3hpw s ALA 37 Ca 0.21 -1.20 -0.34 0.00 0.00 0.00 0.00 51.96 50.63 3hpw s ALA 37 Cb -0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 23.12 22.56 3hpw s ALA 37 CO 0.12 0.40 1.57 0.45 0.00 0.00 0.00 175.76 178.30 3hpw n SER 38 N 1.36 3.04 0.14 0.00 2.88 -1.26 0.04 113.62 119.81 3hpw n SER 38 Ca -0.18 1.08 0.05 0.00 -1.33 0.00 0.00 58.87 58.48 3hpw n SER 38 Cb 0.53 -1.42 0.48 0.00 -0.75 0.00 0.00 64.21 63.05 3hpw n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hpw h ALA 39 N 5.89 1.71 0.00 -1.46 0.00 -1.62 -1.56 119.26 122.21 3hpw h ALA 39 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hpw h ALA 39 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hpw h ALA 39 CO 0.88 0.23 0.00 2.89 0.00 0.00 0.00 179.25 183.25 3hpw n ARG 40 N -4.40 0.12 0.00 0.00 0.00 -1.26 -1.98 116.66 109.14 3hpw n ARG 40 Ca -0.01 0.50 0.14 0.00 -0.00 0.00 0.00 57.85 58.48 3hpw n ARG 40 Cb 0.16 -1.81 0.60 0.00 -0.00 0.00 0.00 32.46 31.42 3hpw n ARG 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hpw n LEU 41 N -2.05 0.09 -4.47 2.89 4.77 -0.59 -4.80 117.00 112.85 3hpw n LEU 41 Ca 0.01 0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 56.03 3hpw n LEU 41 Cb 0.11 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 40.66 3hpw n LEU 41 CO 0.12 0.02 -0.46 -0.76 -1.33 0.00 0.00 177.39 174.98 3hpw s LEU 42 N -2.89 2.71 0.79 2.23 1.02 -0.84 -5.11 118.68 116.59 3hpw s LEU 42 Ca 0.17 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 54.00 3hpw s LEU 42 Cb 0.19 -1.55 0.06 0.00 0.02 0.00 0.00 46.19 44.92 3hpw s LEU 42 CO 0.54 0.35 1.12 -0.94 0.02 0.00 0.00 176.35 177.43 3hpw s SER 43 N -0.73 4.67 0.00 2.29 1.04 -1.26 -4.96 113.70 114.76 3hpw s SER 43 Ca 0.11 1.07 0.20 0.00 0.48 0.00 0.00 55.95 57.82 3hpw s SER 43 Cb -0.11 -1.75 0.94 0.00 0.10 0.00 0.00 66.02 65.21 3hpw s SER 43 CO 0.00 -1.83 1.63 -0.90 0.98 0.00 0.00 173.24 173.13 3hpw n ASP 44 N -3.31 0.00 0.18 7.02 5.68 -1.26 -2.38 116.55 122.48 3hpw n ASP 44 Ca 0.07 0.22 0.05 0.00 -0.50 0.00 0.00 54.79 54.64 3hpw n ASP 44 Cb 0.58 -0.38 0.23 0.00 -1.14 0.00 0.00 41.12 40.41 3hpw n ASP 44 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3hpw h LYS 45 N 0.00 0.00 -6.24 0.11 1.57 -2.05 -3.44 116.57 106.51 3hpw h LYS 45 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3hpw h LYS 45 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3hpw h LYS 45 CO 0.00 0.39 1.06 0.08 -0.57 0.00 0.00 179.45 180.40 3hpw s VAL 46 N -3.32 3.71 0.03 0.50 1.01 -1.00 -4.91 120.40 116.42 3hpw s VAL 46 Ca 0.02 0.85 -0.36 0.00 0.00 0.00 0.00 61.98 62.50 3hpw s VAL 46 Cb 0.09 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.76 3hpw s VAL 46 CO 0.70 -0.08 1.58 -0.24 0.00 0.00 0.00 175.10 177.05 3hpw n SER 47 N 7.10 2.57 0.01 3.32 2.88 -1.26 -4.87 113.62 123.37 3hpw n SER 47 Ca 0.17 1.07 0.12 0.00 -1.33 0.00 0.00 58.87 58.90 3hpw n SER 47 Cb 0.43 -1.30 0.53 0.00 -0.75 0.00 0.00 64.21 63.13 3hpw n SER 47 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hpw n ARG 48 N 3.99 0.03 -0.03 -1.46 1.74 -1.26 -1.31 116.66 118.35 3hpw n ARG 48 Ca 0.20 0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3hpw n ARG 48 Cb 0.23 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 3hpw n ARG 48 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hpw h GLU 49 N 0.00 0.14 0.03 5.56 4.39 -1.97 -2.89 114.58 119.84 3hpw h GLU 49 Ca 0.00 -0.11 -0.23 0.00 0.34 0.00 0.00 59.36 59.37 3hpw h GLU 49 Cb 0.46 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3hpw h GLU 49 CO 0.00 0.74 -1.06 1.25 -1.16 0.00 0.00 179.01 178.77 3hpw h LEU 50 N -0.43 0.11 -6.66 1.33 5.85 -1.89 -3.32 115.31 110.30 3hpw h LEU 50 Ca -0.00 -0.11 -0.60 0.00 0.84 0.00 0.00 57.88 58.00 3hpw h LEU 50 Cb 0.75 -0.03 -0.41 0.00 0.37 0.00 0.00 40.66 41.34 3hpw h LEU 50 CO 0.02 1.09 -0.72 -1.22 -0.34 0.00 0.00 178.44 177.27 3hpw n TYR 51 N -3.39 1.97 -1.63 1.25 4.01 -0.43 -4.34 117.16 114.60 3hpw n TYR 51 Ca -0.02 -3.97 -0.37 0.00 -0.16 0.00 0.00 57.90 53.38 3hpw n TYR 51 Cb 0.96 -0.37 0.08 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.94 0.96 -3.61 -0.72 -0.02 -1.09 -4.24 135.00 128.20 3hpw n PRO 52 Ca 0.24 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 3hpw n PRO 52 Cb 0.41 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 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 -1.50 5.33 0.22 -1.45 1.01 -1.26 -0.71 120.40 122.04 3hpw s VAL 53 Ca 0.81 0.23 0.10 0.00 0.00 0.00 0.00 61.98 63.12 3hpw s VAL 53 Cb -0.37 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3hpw s VAL 53 CO 0.42 0.31 -0.19 0.68 0.00 0.00 0.00 175.10 176.33 3hpw s VAL 54 N 1.25 2.12 -0.07 2.92 -7.23 0.67 -4.94 120.40 115.12 3hpw s VAL 54 Ca 0.09 -2.20 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 3hpw s VAL 54 Cb -0.14 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 3hpw s VAL 54 CO 0.06 -0.39 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.28 3hpw s HIS 55 N -2.41 2.64 -0.21 2.82 3.76 -1.26 -0.52 115.29 120.10 3hpw s HIS 55 Ca 0.24 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 3hpw s HIS 55 Cb -0.04 -1.67 0.05 0.00 1.11 0.00 0.00 32.58 32.02 3hpw s HIS 55 CO 0.10 -0.04 -0.08 0.42 -0.85 0.00 0.00 174.74 174.29 3hpw s ILE 56 N -0.28 1.62 0.00 0.60 1.01 -0.58 -5.00 121.20 118.57 3hpw s ILE 56 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3hpw s ILE 56 Cb -0.13 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3hpw s ILE 56 CO 0.03 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3hpw n GLY 57 N 4.67 3.47 0.02 6.18 0.00 -1.26 -1.89 105.19 116.38 3hpw n GLY 57 Ca -0.14 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 4.46 0.31 -4.77 1.61 8.00 -1.26 -4.94 116.55 119.97 3hpw n ASP 58 Ca 0.00 0.27 -0.27 0.00 0.71 0.00 0.00 54.79 55.50 3hpw n ASP 58 Cb 0.00 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 3hpw n ASP 58 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hpw s GLU 59 N -3.03 2.79 0.04 -1.24 8.01 -0.79 -5.12 118.70 119.37 3hpw s GLU 59 Ca 0.12 -0.88 0.03 0.00 0.01 0.00 0.00 54.97 54.25 3hpw s GLU 59 Cb 0.17 -2.60 -0.04 0.00 -4.31 0.00 0.00 34.13 27.35 3hpw s GLU 59 CO 0.60 0.49 0.01 -1.54 0.01 0.00 0.00 175.26 174.83 3hpw s SER 60 N -2.93 5.11 0.00 -0.19 1.04 -1.26 -1.53 113.70 113.94 3hpw s SER 60 Ca 0.30 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.65 3hpw s SER 60 Cb -0.10 -1.29 -0.00 0.00 0.10 0.00 0.00 66.02 64.73 3hpw s SER 60 CO 0.22 0.23 -0.02 0.26 0.98 0.00 0.00 173.24 174.91 3hpw s TRP 61 N -1.20 0.14 -0.11 5.02 0.52 0.32 -1.72 118.94 121.92 3hpw s TRP 61 Ca 0.23 -0.09 -0.14 0.00 0.02 0.00 0.00 56.10 56.11 3hpw s TRP 61 Cb -0.12 -0.09 -0.05 0.00 -1.15 0.00 0.00 33.47 32.06 3hpw s TRP 61 CO 0.14 -0.02 0.35 1.03 0.02 0.00 0.00 176.95 178.47 3hpw s ARG 62 N -0.23 4.13 -0.34 4.98 1.81 0.11 -0.24 118.95 129.16 3hpw s ARG 62 Ca -0.02 0.23 -0.29 0.00 -1.72 0.00 0.00 55.73 53.94 3hpw s ARG 62 Cb -0.02 -3.36 0.02 0.00 -0.45 0.00 0.00 34.95 31.14 3hpw s ARG 62 CO -0.00 0.38 1.06 1.41 -0.68 0.00 0.00 175.30 177.46 3hpw s MET 63 N 0.00 4.00 -1.33 3.54 -2.45 0.11 -1.37 119.30 121.80 3hpw s MET 63 Ca 0.20 0.94 -0.10 0.00 -1.25 0.00 0.00 55.69 55.48 3hpw s MET 63 Cb -0.14 -3.77 0.13 0.00 1.25 0.00 0.00 34.83 32.31 3hpw s MET 63 CO 0.08 -0.96 1.98 -1.33 1.05 0.00 0.00 175.02 175.83 3hpw n MET 64 N 6.97 3.44 -0.25 4.11 0.00 -0.26 -4.12 117.12 127.02 3hpw n MET 64 Ca 0.11 -3.29 0.04 0.00 0.00 0.00 0.00 57.70 54.56 3hpw n MET 64 Cb 0.47 -3.01 0.17 0.00 0.00 0.00 0.00 33.22 30.86 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 3.78 0.69 0.00 2.03 2.02 -1.84 0.55 112.91 120.15 3hpw h THR 65 Ca 0.44 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.46 3hpw h THR 65 Cb 0.63 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3hpw h THR 65 CO 1.69 0.08 0.00 0.35 0.37 0.00 0.00 175.52 178.02 3hpw n THR 66 N -4.98 0.63 -0.43 3.16 -2.24 -1.26 -1.51 114.28 107.65 3hpw n THR 66 Ca 0.13 0.16 0.09 0.00 -2.27 0.00 0.00 64.05 62.16 3hpw n THR 66 Cb 0.38 -0.87 0.33 0.00 -2.10 0.00 0.00 70.33 68.08 3hpw n THR 66 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hpw n ASP 67 N -1.36 4.40 -4.62 3.42 8.00 0.19 -5.00 116.55 121.57 3hpw n ASP 67 Ca 0.07 -2.36 -0.43 0.00 0.71 0.00 0.00 54.79 52.77 3hpw n ASP 67 Cb 0.16 -0.55 -0.00 0.00 -0.02 0.00 0.00 41.12 40.70 3hpw n ASP 67 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 3hpw n MET 68 N 1.12 1.53 -3.50 -1.24 0.00 -0.57 -4.57 117.12 109.89 3hpw n MET 68 Ca 0.24 0.54 -0.16 0.00 0.00 0.00 0.00 57.70 58.32 3hpw n MET 68 Cb 0.81 -2.02 -0.05 0.00 0.00 0.00 0.00 33.22 31.96 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 -1.14 -1.71 0.41 3.17 0.00 -0.46 -5.00 121.76 117.02 3hpw s ALA 69 Ca 0.59 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 3hpw s ALA 69 Cb -0.62 0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 3hpw s ALA 69 CO 0.60 -0.48 0.86 -1.54 0.00 0.00 0.00 175.76 175.20 3hpw s SER 70 N -1.61 6.75 0.07 0.00 1.04 -1.26 -1.10 113.70 117.58 3hpw s SER 70 Ca -0.08 1.44 0.04 0.00 0.48 0.00 0.00 55.95 57.83 3hpw s SER 70 Cb -0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 3hpw s SER 70 CO 0.04 -0.37 -0.11 0.68 0.98 0.00 0.00 173.24 174.46 3hpw s VAL 71 N -2.25 0.84 0.50 5.02 -7.23 -0.48 -4.95 120.40 111.85 3hpw s VAL 71 Ca 0.57 -1.30 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 3hpw s VAL 71 Cb -0.10 -0.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.81 3hpw s VAL 71 CO 0.21 -0.37 1.08 -2.16 -0.31 0.00 0.00 175.10 173.55 3hpw s PRO 72 N -1.95 3.66 0.61 4.82 0.04 -1.26 -1.70 135.00 139.22 3hpw s PRO 72 Ca -0.03 1.48 0.33 0.00 0.04 0.00 0.00 61.00 62.81 3hpw s PRO 72 Cb -0.08 -2.10 1.92 0.00 0.04 0.00 0.00 34.50 34.28 3hpw s PRO 72 CO 0.01 -0.57 2.25 -0.39 0.04 0.00 0.00 177.00 178.34 3hpw h VAL 73 N 1.48 0.39 -0.02 -0.36 -1.51 -1.37 -1.86 116.25 113.01 3hpw h VAL 73 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3hpw h VAL 73 Cb 1.24 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3hpw h VAL 73 CO 0.58 0.00 0.04 0.77 -1.23 0.00 0.00 177.57 177.74 3hpw h SER 74 N 0.00 0.00 -0.14 4.19 4.64 -1.92 -1.85 113.55 118.47 3hpw h SER 74 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hpw h SER 74 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 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 -3.40 0.22 -3.05 0.95 0.24 -0.70 -4.87 118.33 107.72 3hpw n VAL 75 Ca -0.03 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 3hpw n VAL 75 Cb 0.12 1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 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 -1.37 4.84 0.00 1.34 1.01 -0.70 -0.62 121.20 125.71 3hpw s ILE 76 Ca 0.24 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3hpw s ILE 76 Cb 0.16 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3hpw s ILE 76 CO 0.23 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.46 3hpw n GLY 77 N 4.56 1.74 3.73 6.18 0.00 0.70 -4.93 105.19 117.18 3hpw n GLY 77 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3hpw n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpw s GLU 78 N 4.10 4.38 0.04 1.61 0.41 -1.26 -4.51 118.70 123.47 3hpw s GLU 78 Ca 0.00 2.05 -0.30 0.00 -0.41 0.00 0.00 54.97 56.31 3hpw s GLU 78 Cb 0.00 -3.20 -0.07 0.00 -1.78 0.00 0.00 34.13 29.07 3hpw s GLU 78 CO 0.00 -0.28 1.62 -2.00 -0.49 0.00 0.00 175.26 174.10 3hpw s GLU 79 N 0.10 4.21 -0.00 1.61 2.12 -1.26 -1.41 118.70 124.07 3hpw s GLU 79 Ca 0.58 2.26 0.00 0.00 0.36 0.00 0.00 54.97 58.17 3hpw s GLU 79 Cb -0.36 -3.66 -0.00 0.00 0.26 0.00 0.00 34.13 30.37 3hpw s GLU 79 CO 0.37 -0.73 0.01 1.33 -0.54 0.00 0.00 175.26 175.70 3hpw n VAL 80 N 4.83 0.00 -3.68 3.70 0.24 0.39 -4.98 118.33 118.83 3hpw n VAL 80 Ca 0.16 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.34 61.96 3hpw n VAL 80 Cb 0.41 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.14 -1.62 -0.13 2.33 0.00 -1.20 -4.99 121.76 115.01 3hpw s ALA 81 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 3hpw s ALA 81 Cb 0.00 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.80 3hpw s ALA 81 CO 0.01 -0.93 -0.06 0.34 0.00 0.00 0.00 175.76 175.12 3hpw s ASP 82 N -2.81 2.39 -0.30 0.00 3.68 -1.26 -0.73 116.67 117.64 3hpw s ASP 82 Ca 0.09 -0.42 0.10 0.00 2.13 0.00 0.00 52.55 54.45 3hpw s ASP 82 Cb -0.02 -0.85 0.60 0.00 -1.45 0.00 0.00 42.92 41.20 3hpw s ASP 82 CO -0.01 -0.14 1.61 0.18 0.13 0.00 0.00 175.17 176.94 3hpw n LEU 83 N 4.93 4.97 0.04 -1.34 4.77 0.55 -4.66 117.00 126.27 3hpw n LEU 83 Ca -0.12 -3.42 0.15 0.00 -0.03 0.00 0.00 56.01 52.59 3hpw n LEU 83 Cb 0.49 -0.67 0.63 0.00 -2.33 0.00 0.00 43.42 41.53 3hpw n LEU 83 CO 0.16 0.97 1.16 0.28 -1.33 0.00 0.00 177.39 178.63 3hpw h SER 84 N 1.64 0.10 0.54 -1.43 0.02 -1.90 0.22 113.55 112.75 3hpw h SER 84 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3hpw h SER 84 Cb 1.97 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.49 3hpw h SER 84 CO 0.55 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 3hpw n HIS 85 N -4.44 0.00 -0.88 3.45 1.44 -1.26 -1.97 115.22 111.56 3hpw n HIS 85 Ca 0.06 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.85 3hpw n HIS 85 Cb 0.41 -0.49 0.31 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.49 3.60 -0.31 -1.40 5.12 0.07 -4.70 116.66 117.55 3hpw n ARG 86 Ca 0.04 -2.89 0.14 0.00 -1.93 0.00 0.00 57.85 53.20 3hpw n ARG 86 Cb 0.19 -1.94 0.37 0.00 -1.16 0.00 0.00 32.46 29.92 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 2.70 0.67 -0.22 5.56 4.81 -1.44 -0.85 114.58 125.81 3hpw h GLU 87 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3hpw h GLU 87 Cb 1.56 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 3hpw h GLU 87 CO 0.29 0.45 0.02 -0.97 -0.73 0.00 0.00 179.01 178.07 3hpw h ASN 88 N 0.69 0.36 0.44 1.04 -1.24 -1.85 0.30 115.58 115.33 3hpw h ASN 88 Ca 0.52 -0.28 -0.13 0.00 0.71 0.00 0.00 56.30 57.12 3hpw h ASN 88 Cb 0.89 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 3hpw h ASN 88 CO -0.28 0.55 -0.56 0.44 -1.29 0.00 0.00 177.43 176.29 3hpw h ASP 89 N 0.16 0.15 -0.26 1.15 3.45 -1.79 -1.56 116.42 117.72 3hpw h ASP 89 Ca 0.07 -0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 3hpw h ASP 89 Cb 0.35 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 3hpw h ASP 89 CO 0.01 0.68 0.00 0.40 -1.57 0.00 0.00 179.24 178.76 3hpw h ILE 90 N 0.10 1.25 -0.51 0.35 2.04 -0.95 -1.67 117.51 118.13 3hpw h ILE 90 Ca -0.00 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.01 3hpw h ILE 90 Cb 1.02 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3hpw h ILE 90 CO 0.08 0.29 0.23 0.11 0.00 0.00 0.00 178.15 178.86 3hpw h LYS 91 N 0.25 0.44 -0.94 2.37 1.57 -0.84 -1.66 116.57 117.76 3hpw h LYS 91 Ca 0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hpw h LYS 91 Cb 0.41 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 3hpw h LYS 91 CO 0.01 0.29 0.56 -0.91 -0.57 0.00 0.00 179.45 178.83 3hpw h ASN 92 N 0.45 1.14 -0.20 0.86 2.35 -1.09 0.04 115.58 119.13 3hpw h ASN 92 Ca 0.23 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3hpw h ASN 92 Cb 0.18 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3hpw h ASN 92 CO -0.19 0.88 -0.09 0.00 -1.65 0.00 0.00 177.43 176.38 3hpw h ALA 93 N 1.31 0.28 -0.57 -0.83 0.00 -0.96 -1.27 119.26 117.22 3hpw h ALA 93 Ca 0.34 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3hpw h ALA 93 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hpw h ALA 93 CO -0.06 0.10 -0.03 0.82 0.00 0.00 0.00 179.25 180.08 3hpw h ILE 94 N 0.11 1.27 -0.25 0.00 2.04 -1.13 -2.11 117.51 117.43 3hpw h ILE 94 Ca 0.05 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 3hpw h ILE 94 Cb 0.57 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3hpw h ILE 94 CO 0.03 0.42 -0.10 0.78 0.00 0.00 0.00 178.15 179.28 3hpw h ASN 95 N 0.92 0.39 -0.38 1.72 2.35 -0.90 -2.18 115.58 117.50 3hpw h ASN 95 Ca 0.16 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3hpw h ASN 95 Cb 0.59 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3hpw h ASN 95 CO 0.04 0.53 0.17 -0.07 -1.65 0.00 0.00 177.43 176.44 3hpw h LEU 96 N 0.39 0.50 -0.72 1.61 3.38 -0.94 0.15 115.31 119.68 3hpw h LEU 96 Ca 0.08 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3hpw h LEU 96 Cb 0.41 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3hpw h LEU 96 CO 0.02 0.51 0.41 -0.03 0.09 0.00 0.00 178.44 179.45 3hpw h MET 97 N 0.47 0.74 0.12 1.13 4.05 -0.76 -0.57 114.93 120.10 3hpw h MET 97 Ca 0.13 -0.04 -0.34 0.00 -0.28 0.00 0.00 59.70 59.17 3hpw h MET 97 Cb 0.15 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 3hpw h MET 97 CO -0.01 0.49 -1.81 0.74 0.23 0.00 0.00 176.91 176.54 3hpw h PHE 98 N 0.76 0.46 -0.01 1.39 0.04 -1.43 -3.42 116.94 114.73 3hpw h PHE 98 Ca 0.32 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3hpw h PHE 98 Cb 0.19 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3hpw h PHE 98 CO -0.07 1.71 -0.03 0.91 -0.60 0.00 0.00 178.31 180.24 3hpw n TRP 99 N -3.67 0.00 -3.93 -0.55 5.03 0.51 -5.08 117.44 109.75 3hpw n TRP 99 Ca -0.30 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.23 3hpw n TRP 99 Cb 0.99 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 31.27 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 0.49 3.01 0.00 6.99 0.00 -0.22 -4.96 105.19 110.49 3hpw n GLY 100 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3hpw n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61