#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x75 s GLN 2 N 0.00 4.15 0.00 0.03 0.74 -1.26 -2.66 119.66 120.66 1x75 s GLN 2 Ca 0.00 2.53 0.00 0.00 0.05 0.00 0.00 55.36 57.94 1x75 s GLN 2 Cb 0.00 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1x75 s GLN 2 CO 0.00 -0.62 0.00 1.19 -0.55 0.00 0.00 175.29 175.31 1x75 n PHE 3 N 2.58 0.00 -3.66 1.67 3.72 0.26 -4.91 117.46 117.13 1x75 n PHE 3 Ca 0.09 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.12 1x75 n PHE 3 Cb 0.37 -0.24 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1x75 n PHE 3 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x75 s LYS 4 N -0.19 3.80 -0.25 -1.08 1.02 -1.09 -0.51 119.74 121.45 1x75 s LYS 4 Ca 0.00 0.13 -0.10 0.00 0.02 0.00 0.00 55.97 56.02 1x75 s LYS 4 Cb 0.00 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1x75 s LYS 4 CO 0.00 0.63 0.16 0.54 -0.92 0.00 0.00 175.35 175.76 1x75 s VAL 5 N -0.74 5.28 0.00 3.17 0.11 -0.16 -1.63 120.40 126.44 1x75 s VAL 5 Ca 0.19 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1x75 s VAL 5 Cb -0.14 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1x75 s VAL 5 CO 0.08 0.32 0.00 -1.22 -3.33 0.00 0.00 175.10 170.95 1x75 n TYR 6 N 4.51 -0.91 -4.21 1.54 4.02 -0.34 -0.78 117.16 120.98 1x75 n TYR 6 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.62 1x75 n TYR 6 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 1x75 n TYR 6 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1x75 s THR 7 N 0.56 0.85 0.02 -0.72 2.01 -1.22 -2.63 115.64 114.51 1x75 s THR 7 Ca 0.00 -1.99 -0.19 0.00 0.31 0.00 0.00 61.69 59.83 1x75 s THR 7 Cb 0.00 -1.84 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 1x75 s THR 7 CO 0.00 -0.74 0.53 -0.31 -0.69 0.00 0.00 174.62 173.41 1x75 s TYR 8 N -3.53 3.73 0.00 4.92 1.51 -1.26 0.98 117.35 123.70 1x75 s TYR 8 Ca 0.16 1.16 0.00 0.00 -1.01 0.00 0.00 57.07 57.38 1x75 s TYR 8 Cb 0.05 -2.49 0.00 0.00 -0.11 0.00 0.00 41.96 39.41 1x75 s TYR 8 CO -0.01 0.50 0.00 1.63 -1.11 0.00 0.00 175.55 176.56 1x75 n LYS 9 N 2.20 0.00 0.14 -0.62 5.02 0.33 -4.69 118.16 120.54 1x75 n LYS 9 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1x75 n LYS 9 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1x75 n LYS 9 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x75 n SER 12 N 0.00 -2.52 0.00 4.39 3.41 -1.26 -4.03 113.62 113.62 1x75 n SER 12 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1x75 n SER 12 Cb 0.00 2.54 0.00 0.00 -0.26 0.00 0.00 64.21 66.49 1x75 n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1x75 n ARG 13 N -3.07 0.00 -3.89 4.33 3.00 -1.26 -4.71 116.66 111.06 1x75 n ARG 13 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 1x75 n ARG 13 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1x75 n ARG 13 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1x75 s TYR 14 N 0.00 3.54 0.03 -0.14 2.02 -1.26 -5.03 117.35 116.51 1x75 s TYR 14 Ca 0.00 0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.94 1x75 s TYR 14 Cb 0.00 -1.82 -0.32 0.00 -0.40 0.00 0.00 41.96 39.42 1x75 s TYR 14 CO 0.00 0.62 0.98 0.07 -1.57 0.00 0.00 175.55 175.65 1x75 h ARG 15 N 3.52 0.41 -4.58 -0.62 0.11 -1.84 -3.45 114.38 107.93 1x75 h ARG 15 Ca -0.47 -0.71 -0.22 0.00 0.10 0.00 0.00 59.98 58.68 1x75 h ARG 15 Cb 1.18 0.26 -0.16 0.00 1.11 0.00 0.00 29.97 32.36 1x75 h ARG 15 CO 0.71 1.33 -0.70 -0.51 0.10 0.00 0.00 179.97 180.90 1x75 s LEU 16 N -7.36 2.47 0.00 0.08 1.02 -1.25 -4.38 118.68 109.26 1x75 s LEU 16 Ca -0.08 -0.93 -0.09 0.00 0.02 0.00 0.00 54.13 53.04 1x75 s LEU 16 Cb 0.05 -0.05 0.01 0.00 0.02 0.00 0.00 46.19 46.22 1x75 s LEU 16 CO 0.91 -0.44 0.19 0.72 0.02 0.00 0.00 176.35 177.74 1x75 s PHE 17 N -3.30 -0.01 -0.19 0.29 -0.71 -1.08 0.51 117.98 113.49 1x75 s PHE 17 Ca 0.08 -0.04 -0.04 0.00 -1.04 0.00 0.00 56.93 55.88 1x75 s PHE 17 Cb 0.03 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.81 1x75 s PHE 17 CO -0.05 -0.33 -0.02 0.08 -1.34 0.00 0.00 175.22 173.57 1x75 s VAL 18 N -1.47 3.84 -0.36 -2.49 1.01 -0.21 -1.20 120.40 119.52 1x75 s VAL 18 Ca -0.14 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 1x75 s VAL 18 Cb -0.07 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1x75 s VAL 18 CO 0.02 0.44 1.53 -0.62 0.00 0.00 0.00 175.10 176.48 1x75 s ASP 19 N 0.90 6.23 -0.02 3.32 -1.08 -0.64 -1.24 116.67 124.14 1x75 s ASP 19 Ca 0.00 1.06 0.12 0.00 -0.52 0.00 0.00 52.55 53.21 1x75 s ASP 19 Cb -0.14 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 1x75 s ASP 19 CO 0.02 -1.47 1.29 1.33 0.52 0.00 0.00 175.17 176.85 1x75 n VAL 20 N 7.07 1.13 -3.36 1.11 0.24 -0.98 0.93 118.33 124.47 1x75 n VAL 20 Ca 0.18 -1.08 -0.38 0.00 -2.04 0.00 0.00 64.34 61.02 1x75 n VAL 20 Cb 0.47 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 1x75 n VAL 20 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1x75 s GLN 21 N -1.18 4.11 0.28 7.34 0.74 -1.22 -4.93 119.66 124.80 1x75 s GLN 21 Ca 0.27 0.60 -0.30 0.00 0.05 0.00 0.00 55.36 55.98 1x75 s GLN 21 Cb 0.15 -3.25 -0.13 0.00 1.10 0.00 0.00 33.01 30.89 1x75 s GLN 21 CO 0.16 0.63 1.42 0.45 -0.55 0.00 0.00 175.29 177.40 1x75 n SER 22 N 1.89 3.02 0.00 6.67 2.88 -1.26 -4.01 113.62 122.81 1x75 n SER 22 Ca -0.11 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.69 1x75 n SER 22 Cb 0.51 -1.48 0.64 0.00 -0.75 0.00 0.00 64.21 63.13 1x75 n SER 22 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x75 n ASP 23 N 1.82 0.00 -1.03 -3.46 10.43 -1.26 -2.68 116.55 120.36 1x75 n ASP 23 Ca 0.09 -0.71 0.08 0.00 2.57 0.00 0.00 54.79 56.82 1x75 n ASP 23 Cb 0.34 0.00 0.27 0.00 1.84 0.00 0.00 41.12 43.57 1x75 n ASP 23 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1x75 n ILE 24 N -0.99 2.07 -3.83 0.53 -0.00 -1.26 -4.88 119.36 111.00 1x75 n ILE 24 Ca 0.16 -1.60 -0.27 0.00 -0.00 0.00 0.00 62.75 61.04 1x75 n ILE 24 Cb 0.07 -0.08 -0.17 0.00 -0.00 0.00 0.00 39.64 39.46 1x75 n ILE 24 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1x75 s ILE 25 N -2.40 0.84 -0.22 1.39 -1.09 -1.09 -5.12 121.20 113.51 1x75 s ILE 25 Ca 0.41 -0.48 -0.20 0.00 -2.23 0.00 0.00 60.65 58.15 1x75 s ILE 25 Cb 0.31 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 40.07 1x75 s ILE 25 CO 0.12 0.07 0.58 -0.62 -1.23 0.00 0.00 174.94 173.87 1x75 s ASP 26 N 1.75 6.58 -0.17 3.58 2.15 -1.26 -4.89 116.67 124.41 1x75 s ASP 26 Ca 0.01 0.71 -0.03 0.00 0.43 0.00 0.00 52.55 53.67 1x75 s ASP 26 Cb -0.15 -2.32 -0.23 0.00 -0.30 0.00 0.00 42.92 39.92 1x75 s ASP 26 CO -0.07 -0.28 0.15 0.35 -0.17 0.00 0.00 175.17 175.15 1x75 n THR 27 N 4.87 1.67 -2.11 1.71 -2.24 -1.26 -5.09 114.28 111.82 1x75 n THR 27 Ca -0.02 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1x75 n THR 27 Cb 0.50 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1x75 n THR 27 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x75 n PRO 28 N -3.38 -5.45 0.00 -0.78 -0.04 -1.26 -4.71 135.00 119.38 1x75 n PRO 28 Ca -0.37 3.84 0.00 0.00 -0.04 0.00 0.00 63.50 66.94 1x75 n PRO 28 Cb 1.03 -4.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 1x75 n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x75 n GLY 29 N 1.96 2.74 3.91 0.55 0.00 -1.26 -5.03 105.19 108.06 1x75 n GLY 29 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1x75 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x75 s ARG 30 N -0.24 2.28 -0.30 1.61 0.52 -1.26 0.30 118.95 121.86 1x75 s ARG 30 Ca 0.00 -1.94 -0.16 0.00 -0.52 0.00 0.00 55.73 53.11 1x75 s ARG 30 Cb 0.00 -2.18 0.19 0.00 0.52 0.00 0.00 34.95 33.49 1x75 s ARG 30 CO 0.00 -0.60 1.19 0.50 0.02 0.00 0.00 175.30 176.41 1x75 s ARG 31 N -4.30 0.13 0.05 3.54 6.06 -0.41 -4.65 118.95 119.36 1x75 s ARG 31 Ca 0.38 0.22 -0.30 0.00 -2.50 0.00 0.00 55.73 53.53 1x75 s ARG 31 Cb -0.02 0.03 -0.04 0.00 0.06 0.00 0.00 34.95 34.97 1x75 s ARG 31 CO 0.24 -0.03 0.99 -1.64 -2.50 0.00 0.00 175.30 172.36 1x75 s MET 32 N 1.16 4.60 0.10 5.12 -1.94 -1.26 0.76 119.30 127.84 1x75 s MET 32 Ca -0.08 1.47 -0.00 0.00 -1.71 0.00 0.00 55.69 55.37 1x75 s MET 32 Cb -0.03 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 1x75 s MET 32 CO -0.11 0.04 -0.01 0.08 -0.01 0.00 0.00 175.02 175.01 1x75 s VAL 33 N 0.58 0.34 -0.21 -6.03 1.01 0.03 -2.33 120.40 113.80 1x75 s VAL 33 Ca 0.50 -1.89 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 1x75 s VAL 33 Cb -0.23 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.40 1x75 s VAL 33 CO 0.29 -0.73 -0.03 -0.63 0.00 0.00 0.00 175.10 174.00 1x75 s ILE 34 N -3.86 1.16 0.45 2.22 1.01 -0.37 -1.52 121.20 120.29 1x75 s ILE 34 Ca 0.16 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.64 1x75 s ILE 34 Cb 0.07 -1.48 -0.08 0.00 0.01 0.00 0.00 42.46 40.98 1x75 s ILE 34 CO -0.03 -0.08 1.44 -0.81 0.00 0.00 0.00 174.94 175.46 1x75 n PRO 35 N 4.82 2.28 -3.71 2.79 -0.04 -1.26 -1.04 135.00 138.84 1x75 n PRO 35 Ca -0.11 0.81 -0.37 0.00 -0.04 0.00 0.00 63.50 63.79 1x75 n PRO 35 Cb 0.46 -2.64 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 1x75 n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x75 s LEU 36 N -2.67 3.87 -0.06 1.53 1.43 0.18 -0.88 118.68 122.08 1x75 s LEU 36 Ca 0.61 -0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1x75 s LEU 36 Cb -0.45 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1x75 s LEU 36 CO 0.58 0.02 -0.01 0.00 0.23 0.00 0.00 176.35 177.16 1x75 s ALA 37 N 1.32 3.23 0.12 4.21 0.00 0.49 -3.94 121.76 127.19 1x75 s ALA 37 Ca 0.06 -0.87 -0.34 0.00 0.00 0.00 0.00 51.96 50.82 1x75 s ALA 37 Cb -0.15 -1.39 -0.13 0.00 0.00 0.00 0.00 23.12 21.45 1x75 s ALA 37 CO 0.06 0.60 1.65 0.45 0.00 0.00 0.00 175.76 178.52 1x75 n SER 38 N 1.93 3.27 -0.24 0.00 2.88 -1.26 0.64 113.62 120.85 1x75 n SER 38 Ca -0.17 1.06 0.04 0.00 -1.33 0.00 0.00 58.87 58.47 1x75 n SER 38 Cb 0.53 -1.44 0.16 0.00 -0.75 0.00 0.00 64.21 62.72 1x75 n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x75 h ALA 39 N 6.67 0.94 -1.00 -1.46 0.00 -1.14 -2.38 119.26 120.89 1x75 h ALA 39 Ca -0.45 0.13 0.24 0.00 0.00 0.00 0.00 54.91 54.82 1x75 h ALA 39 Cb 1.25 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 1x75 h ALA 39 CO 0.91 -0.27 0.59 0.07 0.00 0.00 0.00 179.25 180.55 1x75 h ARG 40 N 0.35 0.59 0.00 0.00 -0.00 -1.89 -0.85 114.38 112.58 1x75 h ARG 40 Ca 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 60.33 1x75 h ARG 40 Cb 0.60 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 30.44 1x75 h ARG 40 CO -0.43 0.39 0.07 1.28 -0.00 0.00 0.00 179.97 181.28 1x75 n LEU 41 N -4.87 0.00 -4.31 0.08 4.77 -0.89 -4.55 117.00 107.22 1x75 n LEU 41 Ca 0.26 0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 56.29 1x75 n LEU 41 Cb 0.71 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1x75 n LEU 41 CO 0.17 -0.22 -0.43 -0.76 -1.33 0.00 0.00 177.39 174.82 1x75 s LEU 42 N -2.34 2.54 0.14 2.23 1.43 -0.33 -5.10 118.68 117.25 1x75 s LEU 42 Ca 0.00 -1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 51.93 1x75 s LEU 42 Cb 0.00 -0.53 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 1x75 s LEU 42 CO 0.00 -0.24 0.56 -0.94 0.23 0.00 0.00 176.35 175.95 1x75 s SER 43 N -3.26 6.85 0.00 2.29 1.04 -1.26 -4.93 113.70 114.43 1x75 s SER 43 Ca 0.20 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1x75 s SER 43 Cb 0.01 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1x75 s SER 43 CO 0.04 0.11 0.51 -0.90 0.98 0.00 0.00 173.24 173.98 1x75 n ASP 44 N 0.87 0.00 0.12 7.02 5.75 -1.26 -1.76 116.55 127.29 1x75 n ASP 44 Ca -0.06 0.05 -0.22 0.00 -0.01 0.00 0.00 54.79 54.55 1x75 n ASP 44 Cb 0.52 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 40.42 1x75 n ASP 44 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1x75 h LYS 45 N 0.00 0.52 -6.39 0.11 -0.00 -2.03 -3.47 116.57 105.31 1x75 h LYS 45 Ca 0.00 -0.79 -0.63 0.00 -0.00 0.00 0.00 60.65 59.23 1x75 h LYS 45 Cb 0.01 0.28 0.08 0.00 -0.00 0.00 0.00 32.23 32.59 1x75 h LYS 45 CO 0.00 1.36 0.38 0.28 -0.00 0.00 0.00 179.45 181.47 1x75 n VAL 46 N -3.71 0.81 -1.53 0.07 0.31 -0.72 -4.83 118.33 108.72 1x75 n VAL 46 Ca -0.14 -0.20 -0.56 0.00 -0.01 0.00 0.00 64.34 63.43 1x75 n VAL 46 Cb 1.03 -1.01 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 1x75 n VAL 46 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1x75 n SER 47 N 2.13 1.91 -0.03 4.52 2.88 -1.26 -4.81 113.62 118.96 1x75 n SER 47 Ca 0.14 0.78 0.03 0.00 -1.33 0.00 0.00 58.87 58.49 1x75 n SER 47 Cb 0.26 -1.12 0.17 0.00 -0.75 0.00 0.00 64.21 62.77 1x75 n SER 47 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x75 n ARG 48 N 6.69 1.04 -0.11 -1.46 1.74 -1.26 -1.39 116.66 121.91 1x75 n ARG 48 Ca 0.37 -0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 57.18 1x75 n ARG 48 Cb 0.12 -1.10 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1x75 n ARG 48 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1x75 n GLU 49 N -0.53 0.56 0.04 5.56 4.71 -1.26 -3.78 120.64 125.94 1x75 n GLU 49 Ca 0.05 0.55 -0.17 0.00 -0.01 0.00 0.00 57.16 57.57 1x75 n GLU 49 Cb 0.03 -1.72 -0.14 0.00 -1.01 0.00 0.00 31.44 28.60 1x75 n GLU 49 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1x75 h LEU 50 N -1.00 0.36 -6.51 -4.62 5.85 -1.89 -3.33 115.31 104.17 1x75 h LEU 50 Ca -0.36 -0.57 -0.62 0.00 0.84 0.00 0.00 57.88 57.17 1x75 h LEU 50 Cb 1.29 -0.12 -0.41 0.00 0.37 0.00 0.00 40.66 41.79 1x75 h LEU 50 CO -0.22 1.49 -0.51 -1.22 -0.34 0.00 0.00 178.44 177.64 1x75 n TYR 51 N -3.42 3.52 -1.69 1.25 4.01 -0.48 -4.55 117.16 115.80 1x75 n TYR 51 Ca -0.20 -4.14 -0.39 0.00 -0.16 0.00 0.00 57.90 53.02 1x75 n TYR 51 Cb 1.05 -0.63 0.04 0.00 -0.31 0.00 0.00 39.34 39.49 1x75 n TYR 51 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1x75 n PRO 52 N 1.22 1.45 -4.15 -0.72 -0.04 -1.25 -4.44 135.00 127.07 1x75 n PRO 52 Ca 0.27 0.54 -0.36 0.00 -0.04 0.00 0.00 63.50 63.91 1x75 n PRO 52 Cb 0.39 -2.39 -0.08 0.00 -0.04 0.00 0.00 33.50 31.38 1x75 n PRO 52 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x75 s VAL 53 N -1.34 4.84 0.01 0.52 1.01 -1.26 -0.87 120.40 123.31 1x75 s VAL 53 Ca 0.71 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 1x75 s VAL 53 Cb -0.44 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1x75 s VAL 53 CO 0.50 0.60 -0.01 0.68 0.00 0.00 0.00 175.10 176.87 1x75 s VAL 54 N -0.88 0.05 -0.20 2.92 -7.23 -0.56 -4.97 120.40 109.53 1x75 s VAL 54 Ca 0.13 -0.41 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 1x75 s VAL 54 Cb -0.12 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 1x75 s VAL 54 CO 0.03 -0.23 0.38 -2.28 -0.31 0.00 0.00 175.10 172.69 1x75 s HIS 55 N -0.66 3.37 -0.16 2.82 2.46 -1.26 -0.66 115.29 121.20 1x75 s HIS 55 Ca -0.07 0.59 -0.03 0.00 0.47 0.00 0.00 55.06 56.02 1x75 s HIS 55 Cb -0.05 -2.51 0.05 0.00 -0.13 0.00 0.00 32.58 29.95 1x75 s HIS 55 CO -0.00 -0.00 0.03 0.42 -2.47 0.00 0.00 174.74 172.72 1x75 s ILE 56 N 1.29 0.42 0.00 0.89 1.01 -0.98 -5.01 121.20 118.82 1x75 s ILE 56 Ca 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1x75 s ILE 56 Cb -0.15 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1x75 s ILE 56 CO 0.08 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1x75 n GLY 57 N 5.10 1.77 0.00 6.18 0.00 -1.26 -3.41 105.19 113.57 1x75 n GLY 57 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1x75 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x75 n ASP 58 N 9.94 1.80 -4.19 1.61 4.64 -1.26 -5.06 116.55 124.04 1x75 n ASP 58 Ca 0.00 -1.90 -0.11 0.00 -1.38 0.00 0.00 54.79 51.40 1x75 n ASP 58 Cb 0.00 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 39.98 1x75 n ASP 58 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1x75 s GLU 59 N -0.90 0.92 -0.04 -0.67 2.02 -1.22 -5.15 118.70 113.65 1x75 s GLU 59 Ca 0.00 -1.40 -0.09 0.00 0.02 0.00 0.00 54.97 53.50 1x75 s GLU 59 Cb 0.00 -0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.03 1x75 s GLU 59 CO 0.00 -0.08 0.25 -1.12 0.02 0.00 0.00 175.26 174.33 1x75 s SER 60 N -3.08 6.53 0.16 -0.19 0.01 -1.26 -2.33 113.70 113.54 1x75 s SER 60 Ca 0.17 0.62 0.09 0.00 1.31 0.00 0.00 55.95 58.14 1x75 s SER 60 Cb 0.06 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1x75 s SER 60 CO -0.02 0.33 -0.19 0.26 0.41 0.00 0.00 173.24 174.04 1x75 s TRP 61 N -1.14 1.85 -0.11 2.43 0.52 0.16 -0.62 118.94 122.03 1x75 s TRP 61 Ca 0.22 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.89 1x75 s TRP 61 Cb -0.14 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.23 1x75 s TRP 61 CO 0.11 0.33 -0.12 1.03 0.02 0.00 0.00 176.95 178.32 1x75 s ARG 62 N -2.69 3.13 -0.33 4.98 1.81 0.21 -1.49 118.95 124.57 1x75 s ARG 62 Ca 0.15 -0.65 -0.26 0.00 -1.72 0.00 0.00 55.73 53.24 1x75 s ARG 62 Cb -0.06 -2.60 0.01 0.00 -0.45 0.00 0.00 34.95 31.85 1x75 s ARG 62 CO 0.07 0.37 0.94 -1.64 -0.68 0.00 0.00 175.30 174.36 1x75 s MET 63 N -0.05 3.96 -1.43 3.54 -1.94 -0.05 -0.38 119.30 122.95 1x75 s MET 63 Ca -0.02 0.77 -0.09 0.00 -1.71 0.00 0.00 55.69 54.64 1x75 s MET 63 Cb -0.14 -3.76 -0.09 0.00 2.01 0.00 0.00 34.83 32.86 1x75 s MET 63 CO 0.04 -0.85 2.83 -1.33 -0.01 0.00 0.00 175.02 175.70 1x75 n MET 64 N 6.64 3.34 -0.32 2.03 0.00 -0.06 -4.38 117.12 124.37 1x75 n MET 64 Ca 0.08 -2.01 0.25 0.00 0.00 0.00 0.00 57.70 56.02 1x75 n MET 64 Cb 0.48 -2.70 0.46 0.00 0.00 0.00 0.00 33.22 31.46 1x75 n MET 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1x75 n THR 65 N 3.65 -0.40 0.68 2.03 -1.04 -1.26 0.21 114.28 118.14 1x75 n THR 65 Ca 0.71 2.00 0.07 0.00 -2.04 0.00 0.00 64.05 64.80 1x75 n THR 65 Cb 0.24 -3.13 0.37 0.00 -1.82 0.00 0.00 70.33 65.99 1x75 n THR 65 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x75 n THR 66 N -5.26 0.65 0.12 12.58 -2.24 -1.26 -1.83 114.28 117.05 1x75 n THR 66 Ca 0.31 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.36 1x75 n THR 66 Cb 1.05 -0.91 0.22 0.00 -2.10 0.00 0.00 70.33 68.59 1x75 n THR 66 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x75 n ASP 67 N -1.33 3.42 -4.51 3.42 8.00 0.55 -5.00 116.55 121.09 1x75 n ASP 67 Ca 0.06 -1.96 -0.59 0.00 0.71 0.00 0.00 54.79 53.02 1x75 n ASP 67 Cb 0.13 -0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1x75 n ASP 67 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1x75 n MET 68 N 1.36 0.10 -3.52 -1.24 0.00 -0.76 -4.69 117.12 108.37 1x75 n MET 68 Ca 0.19 0.03 -0.12 0.00 -0.00 0.00 0.00 57.70 57.81 1x75 n MET 68 Cb 0.57 -1.55 -0.03 0.00 0.00 0.00 0.00 33.22 32.21 1x75 n MET 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x75 s ALA 69 N 0.11 -1.31 0.27 -5.12 0.00 -0.58 -5.01 121.76 110.12 1x75 s ALA 69 Ca 0.91 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.89 1x75 s ALA 69 Cb -1.25 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1x75 s ALA 69 CO 0.57 -0.69 0.91 0.45 0.00 0.00 0.00 175.76 177.00 1x75 s SER 70 N -2.68 7.45 -0.07 0.00 0.15 -1.26 -0.79 113.70 116.51 1x75 s SER 70 Ca 0.01 1.84 0.03 0.00 0.70 0.00 0.00 55.95 58.53 1x75 s SER 70 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1x75 s SER 70 CO -0.11 0.06 -0.16 -0.69 1.20 0.00 0.00 173.24 173.53 1x75 s VAL 71 N -1.39 1.44 -0.05 4.45 1.01 0.23 -4.91 120.40 121.18 1x75 s VAL 71 Ca 0.45 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1x75 s VAL 71 Cb -0.22 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1x75 s VAL 71 CO 0.27 0.42 1.40 -2.16 0.00 0.00 0.00 175.10 175.03 1x75 s PRO 72 N 0.38 4.26 0.53 2.72 0.04 -1.26 -1.29 135.00 140.39 1x75 s PRO 72 Ca -0.12 1.92 0.42 0.00 0.04 0.00 0.00 61.00 63.25 1x75 s PRO 72 Cb -0.15 -3.67 1.61 0.00 0.04 0.00 0.00 34.50 32.33 1x75 s PRO 72 CO 0.04 -0.63 1.68 -0.39 0.04 0.00 0.00 177.00 177.74 1x75 h VAL 73 N 5.14 0.20 0.00 -0.36 -1.51 0.42 0.87 116.25 121.01 1x75 h VAL 73 Ca -0.36 -0.01 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1x75 h VAL 73 Cb 1.16 0.17 -0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1x75 h VAL 73 CO 0.92 0.00 -0.00 0.77 -1.23 0.00 0.00 177.57 178.03 1x75 h SER 74 N 0.02 0.00 0.87 4.19 4.64 -1.90 -1.39 113.55 119.98 1x75 h SER 74 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1x75 h SER 74 Cb 2.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.06 1x75 h SER 74 CO -0.06 0.00 -1.11 0.52 -0.87 0.00 0.00 176.83 175.31 1x75 n VAL 75 N -3.60 0.54 -2.00 0.95 0.31 0.30 -4.82 118.33 110.01 1x75 n VAL 75 Ca -0.03 -0.53 -0.42 0.00 -0.01 0.00 0.00 64.34 63.34 1x75 n VAL 75 Cb 0.08 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.70 1x75 n VAL 75 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x75 s ILE 76 N -3.38 3.31 0.00 2.52 1.01 -0.53 0.12 121.20 124.26 1x75 s ILE 76 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1x75 s ILE 76 Cb 0.10 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1x75 s ILE 76 CO 0.80 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.33 1x75 n GLY 77 N 3.98 0.72 3.62 6.18 0.00 0.27 -4.62 105.19 115.35 1x75 n GLY 77 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1x75 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x75 s GLU 78 N 1.18 2.60 0.13 1.61 0.41 -1.26 -4.83 118.70 118.54 1x75 s GLU 78 Ca 0.00 -0.70 -0.31 0.00 -0.41 0.00 0.00 54.97 53.55 1x75 s GLU 78 Cb 0.00 -2.54 -0.10 0.00 -1.78 0.00 0.00 34.13 29.71 1x75 s GLU 78 CO 0.00 0.61 1.63 -2.00 -0.49 0.00 0.00 175.26 175.01 1x75 s GLU 79 N -1.47 4.19 0.00 1.61 2.12 -1.26 -3.40 118.70 120.49 1x75 s GLU 79 Ca 0.18 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1x75 s GLU 79 Cb -0.11 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1x75 s GLU 79 CO 0.08 -0.68 0.38 0.28 -0.54 0.00 0.00 175.26 174.78 1x75 n VAL 80 N 4.30 0.00 0.00 3.70 0.31 0.04 -5.00 118.33 121.68 1x75 n VAL 80 Ca 0.15 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1x75 n VAL 80 Cb 0.39 1.22 0.00 0.00 -0.91 0.00 0.00 33.84 34.53 1x75 n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x75 n ALA 81 N -0.01 0.00 -3.74 3.52 0.00 -1.15 -4.95 120.51 114.17 1x75 n ALA 81 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1x75 n ALA 81 Cb 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.34 1x75 n ALA 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x75 s ASP 82 N 0.00 1.90 -0.27 0.00 3.68 -1.26 -0.99 116.67 119.73 1x75 s ASP 82 Ca 0.00 -0.27 0.09 0.00 2.13 0.00 0.00 52.55 54.50 1x75 s ASP 82 Cb 0.00 -0.77 0.46 0.00 -1.45 0.00 0.00 42.92 41.16 1x75 s ASP 82 CO 0.00 -0.07 1.33 0.18 0.13 0.00 0.00 175.17 176.74 1x75 n LEU 83 N 4.53 3.75 0.28 -1.34 4.77 0.34 -4.76 117.00 124.58 1x75 n LEU 83 Ca -0.16 -4.02 0.15 0.00 -0.03 0.00 0.00 56.01 51.95 1x75 n LEU 83 Cb 0.51 -0.55 0.84 0.00 -2.33 0.00 0.00 43.42 41.88 1x75 n LEU 83 CO 0.19 1.48 1.04 0.28 -1.33 0.00 0.00 177.39 179.06 1x75 h SER 84 N 1.22 0.00 0.00 -1.43 0.02 -1.91 -1.18 113.55 110.27 1x75 h SER 84 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1x75 h SER 84 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1x75 h SER 84 CO 0.32 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1x75 n HIS 85 N -3.56 0.00 -0.52 3.45 1.44 -1.26 -2.11 115.22 112.66 1x75 n HIS 85 Ca -0.02 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.74 1x75 n HIS 85 Cb 0.18 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.36 1x75 n HIS 85 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x75 n ARG 86 N -0.88 2.17 -0.07 -1.40 5.12 -0.45 -4.85 116.66 116.29 1x75 n ARG 86 Ca 0.16 -2.03 -0.11 0.00 -1.93 0.00 0.00 57.85 53.95 1x75 n ARG 86 Cb 0.08 -1.24 -0.05 0.00 -1.16 0.00 0.00 32.46 30.08 1x75 n ARG 86 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1x75 h GLU 87 N 0.01 -0.38 0.00 5.56 4.81 -1.48 -1.60 114.58 121.50 1x75 h GLU 87 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1x75 h GLU 87 Cb 0.74 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1x75 h GLU 87 CO 0.00 -0.25 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.09 1x75 h ASN 88 N -0.39 0.00 -0.06 1.04 2.35 -1.89 0.14 115.58 116.77 1x75 h ASN 88 Ca 0.11 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 1x75 h ASN 88 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1x75 h ASN 88 CO -0.48 0.02 -0.65 0.44 -1.65 0.00 0.00 177.43 175.11 1x75 h ASP 89 N 0.00 0.79 -0.45 5.81 3.45 -1.77 -1.30 116.42 122.96 1x75 h ASP 89 Ca -0.00 -0.47 -0.10 0.00 0.43 0.00 0.00 57.03 56.89 1x75 h ASP 89 Cb 0.04 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 1x75 h ASP 89 CO 0.00 1.23 -0.11 0.40 -1.57 0.00 0.00 179.24 179.20 1x75 h ILE 90 N 0.50 1.27 0.00 0.35 2.04 -0.63 -1.41 117.51 119.63 1x75 h ILE 90 Ca -0.02 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1x75 h ILE 90 Cb 1.25 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1x75 h ILE 90 CO 0.13 0.42 0.00 0.11 0.00 0.00 0.00 178.15 178.81 1x75 h LYS 91 N 0.70 0.00 0.04 2.37 6.56 -0.93 -1.33 116.57 123.98 1x75 h LYS 91 Ca 0.11 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.43 1x75 h LYS 91 Cb 0.65 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.28 1x75 h LYS 91 CO 0.04 0.00 -1.43 -0.91 -2.06 0.00 0.00 179.45 175.10 1x75 h ASN 92 N 0.00 0.12 0.52 0.86 2.35 -0.98 -0.58 115.58 117.88 1x75 h ASN 92 Ca 0.00 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1x75 h ASN 92 Cb 0.61 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.94 1x75 h ASN 92 CO 0.00 1.15 -0.25 0.00 -1.65 0.00 0.00 177.43 176.68 1x75 h ALA 93 N 0.83 -0.70 0.24 -0.83 0.00 -0.81 0.28 119.26 118.28 1x75 h ALA 93 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1x75 h ALA 93 Cb 1.93 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.98 1x75 h ALA 93 CO 0.12 -0.86 -0.21 0.82 0.00 0.00 0.00 179.25 179.11 1x75 h ILE 94 N -0.76 0.54 -0.60 0.00 2.04 -1.34 -2.41 117.51 114.98 1x75 h ILE 94 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1x75 h ILE 94 Cb 0.56 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1x75 h ILE 94 CO 0.12 0.00 0.32 -1.13 0.00 0.00 0.00 178.15 177.46 1x75 h ASN 95 N -0.48 0.46 0.16 1.72 -1.24 -1.05 -1.40 115.58 113.75 1x75 h ASN 95 Ca -0.01 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 1x75 h ASN 95 Cb 0.43 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 1x75 h ASN 95 CO -0.03 0.31 -0.02 0.25 -1.29 0.00 0.00 177.43 176.65 1x75 h LEU 96 N 0.60 0.00 0.21 0.34 5.85 -0.22 0.62 115.31 122.71 1x75 h LEU 96 Ca 0.27 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.66 1x75 h LEU 96 Cb 0.17 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.24 1x75 h LEU 96 CO -0.18 0.02 -1.40 -0.03 -0.34 0.00 0.00 178.44 176.51 1x75 h MET 97 N 0.00 0.58 0.00 1.25 4.05 -0.75 0.33 114.93 120.38 1x75 h MET 97 Ca -0.00 -0.90 0.00 0.00 -0.28 0.00 0.00 59.70 58.52 1x75 h MET 97 Cb 0.10 0.32 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1x75 h MET 97 CO 0.00 1.42 -1.41 1.19 0.23 0.00 0.00 176.91 178.35 1x75 n PHE 98 N -3.74 0.00 0.00 1.39 3.72 -1.11 -4.43 117.46 113.28 1x75 n PHE 98 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1x75 n PHE 98 Cb 1.07 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 1x75 n PHE 98 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1x75 n TRP 99 N -1.81 0.00 -0.86 1.38 8.01 0.19 -5.02 117.44 119.33 1x75 n TRP 99 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1x75 n TRP 99 Cb 0.43 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 1x75 n TRP 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1x75 n GLY 100 N 1.55 0.42 0.00 6.99 0.00 0.11 -4.93 105.19 109.33 1x75 n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x75 n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71