#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncu n LYS -5 N 0.00 0.64 0.02 4.33 0.00 -1.26 -4.95 118.16 116.95 1ncu n LYS -5 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1ncu n LYS -5 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 33.41 1ncu n LYS -5 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ncu n THR -4 N -2.41 0.00 -3.29 0.58 -2.24 -1.26 -5.02 114.28 100.64 1ncu n THR -4 Ca -0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 1ncu n THR -4 Cb 0.57 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1ncu n THR -4 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1ncu n THR -3 N -2.34 0.00 -0.70 4.28 5.66 -1.24 -4.83 114.28 115.11 1ncu n THR -3 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1ncu n THR -3 Cb 0.00 -0.24 0.14 0.00 -1.55 0.00 0.00 70.33 68.67 1ncu n THR -3 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1ncu n LEU -2 N -2.95 -2.25 0.00 1.09 0.00 -0.25 -4.72 117.00 107.93 1ncu n LEU -2 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 56.01 55.90 1ncu n LEU -2 Cb 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 43.42 43.02 1ncu n LEU -2 CO 0.47 -2.97 0.00 0.00 0.00 0.00 0.00 177.39 174.89 1ncu n ALA -1 N -4.22 0.00 -3.55 1.96 0.00 -1.26 -3.77 120.51 109.66 1ncu n ALA -1 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1ncu n ALA -1 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 1ncu n ALA -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ncu s ALA 0 N -3.84 -0.81 -0.08 0.00 0.00 -1.26 -3.45 121.76 112.32 1ncu s ALA 0 Ca 0.00 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1ncu s ALA 0 Cb 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1ncu s ALA 0 CO 0.00 -0.21 0.26 -0.98 0.00 0.00 0.00 175.76 174.83 1ncu s ARG 1 N 0.97 0.39 -0.31 0.00 1.70 -0.91 -4.40 118.95 116.38 1ncu s ARG 1 Ca -0.06 0.20 -0.21 0.00 -0.47 0.00 0.00 55.73 55.18 1ncu s ARG 1 Cb -0.07 0.18 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1ncu s ARG 1 CO -0.07 -0.07 0.68 0.42 -1.08 0.00 0.00 175.30 175.18 1ncu s ILE 2 N -0.26 4.89 -0.10 4.99 1.01 -1.26 -1.61 121.20 128.85 1ncu s ILE 2 Ca -0.04 0.93 0.15 0.00 0.00 0.00 0.00 60.65 61.70 1ncu s ILE 2 Cb -0.03 -4.05 -0.15 0.00 0.01 0.00 0.00 42.46 38.23 1ncu s ILE 2 CO 0.01 -0.19 0.83 0.17 0.00 0.00 0.00 174.94 175.75 1ncu h LEU 3 N 9.28 0.00 -7.86 2.97 -0.00 -1.59 -3.46 115.31 114.65 1ncu h LEU 3 Ca -0.26 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.29 1ncu h LEU 3 Cb 1.11 0.00 -0.30 0.00 -0.00 0.00 0.00 40.66 41.48 1ncu h LEU 3 CO 0.83 0.69 -0.75 -0.89 -0.00 0.00 0.00 178.44 178.31 1ncu s THR 4 N -2.84 0.39 0.37 0.15 2.01 -1.01 -4.96 115.64 109.76 1ncu s THR 4 Ca -0.03 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1ncu s THR 4 Cb 0.08 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 1ncu s THR 4 CO 0.81 0.13 0.07 -0.54 -0.69 0.00 0.00 174.62 174.40 1ncu s LYS 5 N 0.10 2.12 0.28 4.92 3.01 -1.26 -0.74 119.74 128.16 1ncu s LYS 5 Ca -0.01 -1.82 -0.23 0.00 -1.01 0.00 0.00 55.97 52.90 1ncu s LYS 5 Cb -0.04 -1.92 -0.09 0.00 -1.01 0.00 0.00 37.83 34.77 1ncu s LYS 5 CO -0.00 0.03 0.84 -1.25 0.51 0.00 0.00 175.35 175.48 1ncu s PRO 6 N -3.78 4.44 0.24 -1.68 0.04 -1.13 -4.60 135.00 128.53 1ncu s PRO 6 Ca 0.37 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1ncu s PRO 6 Cb 0.02 -2.85 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 1ncu s PRO 6 CO 0.20 0.34 0.59 1.03 0.04 0.00 0.00 177.00 179.20 1ncu s ARG 7 N -2.00 3.87 0.00 4.56 3.00 -1.26 -4.66 118.95 122.47 1ncu s ARG 7 Ca 0.47 0.39 0.00 0.00 0.00 0.00 0.00 55.73 56.59 1ncu s ARG 7 Cb -0.18 -2.65 0.00 0.00 0.00 0.00 0.00 34.95 32.13 1ncu s ARG 7 CO 0.23 0.31 0.00 0.43 0.00 0.00 0.00 175.30 176.26 1ncu n SER 8 N -0.04 -0.77 -3.61 0.23 7.64 -1.26 -4.87 113.62 110.94 1ncu n SER 8 Ca 0.00 -0.47 0.03 0.00 1.01 0.00 0.00 58.87 59.45 1ncu n SER 8 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1ncu n SER 8 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1ncu s MET 9 N -2.57 0.11 -0.17 1.43 1.75 -0.82 -4.93 119.30 114.10 1ncu s MET 9 Ca 0.00 -0.06 -0.09 0.00 -1.25 0.00 0.00 55.69 54.28 1ncu s MET 9 Cb 0.00 0.04 0.06 0.00 2.84 0.00 0.00 34.83 37.77 1ncu s MET 9 CO 0.00 -0.05 0.42 -0.08 -0.65 0.00 0.00 175.02 174.66 1ncu s THR 10 N -2.10 -0.02 0.09 10.11 -1.32 -1.26 -2.36 115.64 118.77 1ncu s THR 10 Ca 0.17 0.09 -0.01 0.00 -1.21 0.00 0.00 61.69 60.73 1ncu s THR 10 Cb 0.06 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 1ncu s THR 10 CO -0.06 0.04 0.13 1.33 -2.21 0.00 0.00 174.62 173.85 1ncu n VAL 11 N 4.24 0.00 0.03 5.08 0.24 -0.55 -4.92 118.33 122.45 1ncu n VAL 11 Ca -0.23 -0.42 -0.01 0.00 -2.04 0.00 0.00 64.34 61.64 1ncu n VAL 11 Cb 0.55 0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 33.11 1ncu n VAL 11 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1ncu h TYR 12 N 1.25 0.00 0.00 6.34 3.20 -1.80 0.19 116.97 126.14 1ncu h TYR 12 Ca -0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1ncu h TYR 12 Cb 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1ncu h TYR 12 CO 0.00 0.64 0.00 -0.85 -1.64 0.00 0.00 178.16 176.31 1ncu n GLU 13 N -2.94 0.00 -1.97 1.82 0.28 -1.26 -2.89 120.64 113.67 1ncu n GLU 13 Ca -0.10 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.54 1ncu n GLU 13 Cb 0.86 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.74 1ncu n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ncu n GLY 14 N 0.00 5.31 0.00 -1.84 0.00 -1.26 -4.78 105.19 102.61 1ncu n GLY 14 Ca 0.00 -2.29 -0.00 0.00 0.00 0.00 0.00 46.02 43.73 1ncu n GLY 14 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ncu h GLU 15 N 3.48 -0.00 0.00 1.61 4.22 -1.86 -3.39 114.58 118.65 1ncu h GLU 15 Ca 0.54 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.91 1ncu h GLU 15 Cb 0.31 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1ncu h GLU 15 CO 1.24 -0.00 0.24 -1.13 -2.18 0.00 0.00 179.01 177.18 1ncu n SER 16 N -2.43 -1.01 -4.73 1.04 3.41 -1.26 -4.96 113.62 103.67 1ncu n SER 16 Ca -0.00 -1.52 -0.38 0.00 -0.26 0.00 0.00 58.87 56.71 1ncu n SER 16 Cb 0.00 1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.90 1ncu n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ncu s ALA 17 N 0.00 3.47 0.09 7.33 0.00 -1.25 -5.02 121.76 126.39 1ncu s ALA 17 Ca 0.06 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.98 1ncu s ALA 17 Cb 0.10 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1ncu s ALA 17 CO -0.07 0.03 -0.24 0.50 0.00 0.00 0.00 175.76 175.97 1ncu s ARG 18 N 0.49 1.42 0.03 0.00 3.52 -1.26 -2.49 118.95 120.66 1ncu s ARG 18 Ca 0.27 -1.19 -0.02 0.00 -0.13 0.00 0.00 55.73 54.67 1ncu s ARG 18 Cb -0.16 -1.74 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 1ncu s ARG 18 CO 0.12 0.42 0.01 -0.06 -0.81 0.00 0.00 175.30 174.98 1ncu s PHE 19 N -0.99 0.31 -0.18 5.12 0.08 0.42 -4.77 117.98 117.97 1ncu s PHE 19 Ca 0.11 -0.66 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 1ncu s PHE 19 Cb -0.10 -0.23 0.06 0.00 -0.57 0.00 0.00 43.02 42.18 1ncu s PHE 19 CO 0.04 -0.29 0.44 0.45 -0.10 0.00 0.00 175.22 175.76 1ncu s SER 20 N -2.03 -0.55 -0.15 1.36 0.15 -1.26 -1.19 113.70 110.02 1ncu s SER 20 Ca -0.07 0.96 0.01 0.00 0.70 0.00 0.00 55.95 57.55 1ncu s SER 20 Cb -0.03 0.85 0.02 0.00 -1.71 0.00 0.00 66.02 65.15 1ncu s SER 20 CO -0.04 -0.20 -0.17 0.00 1.20 0.00 0.00 173.24 174.03 1ncu s ASP 22 N 1.30 6.22 -0.14 0.00 1.01 0.08 -1.43 116.67 123.70 1ncu s ASP 22 Ca 0.02 0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.32 1ncu s ASP 22 Cb -0.13 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1ncu s ASP 22 CO -0.09 -0.27 -0.19 0.42 0.21 0.00 0.00 175.17 175.25 1ncu s THR 23 N 2.07 2.40 0.38 -1.27 -4.23 0.25 -1.34 115.64 113.90 1ncu s THR 23 Ca 0.14 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1ncu s THR 23 Cb -0.16 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1ncu s THR 23 CO 0.11 0.53 0.57 -0.62 -0.54 0.00 0.00 174.62 174.67 1ncu s ASP 24 N 0.74 6.02 0.00 3.99 2.15 -0.64 -4.23 116.67 124.70 1ncu s ASP 24 Ca -0.08 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.10 1ncu s ASP 24 Cb -0.16 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 1ncu s ASP 24 CO 0.01 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 1ncu n GLY 25 N -1.84 3.92 2.96 2.66 0.00 -1.26 -2.15 105.19 109.48 1ncu n GLY 25 Ca -0.01 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 1ncu n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ncu s GLU 26 N -2.63 0.53 0.00 1.61 2.12 -1.22 -4.19 118.70 114.93 1ncu s GLU 26 Ca 0.00 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1ncu s GLU 26 Cb 0.00 -0.53 0.00 0.00 0.26 0.00 0.00 34.13 33.86 1ncu s GLU 26 CO 0.00 0.10 0.00 -0.35 -0.54 0.00 0.00 175.26 174.47 1ncu n PRO 27 N 3.10 -0.29 -1.50 4.30 -0.04 -1.26 -1.09 135.00 138.21 1ncu n PRO 27 Ca -0.15 0.00 -0.59 0.00 -0.04 0.00 0.00 63.50 62.72 1ncu n PRO 27 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 1ncu n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ncu n VAL 28 N -1.85 0.01 -1.46 0.52 0.31 -1.26 -4.80 118.33 109.81 1ncu n VAL 28 Ca 0.00 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1ncu n VAL 28 Cb 0.00 -0.04 0.23 0.00 -0.91 0.00 0.00 33.84 33.12 1ncu n VAL 28 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ncu s PRO 29 N 0.02 -0.60 0.12 5.55 0.04 -1.25 -4.86 135.00 134.02 1ncu s PRO 29 Ca 0.90 -0.30 0.05 0.00 0.04 0.00 0.00 61.00 61.69 1ncu s PRO 29 Cb -1.25 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 1ncu s PRO 29 CO 0.56 -3.26 -0.11 0.99 0.04 0.00 0.00 177.00 175.22 1ncu s THR 30 N -3.42 1.16 0.17 1.26 2.01 -0.52 -4.90 115.64 111.39 1ncu s THR 30 Ca 0.73 -1.82 0.08 0.00 0.31 0.00 0.00 61.69 61.00 1ncu s THR 30 Cb -0.06 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1ncu s THR 30 CO 0.55 -0.58 -0.17 0.54 -0.69 0.00 0.00 174.62 174.27 1ncu s VAL 31 N -2.66 1.75 -0.29 3.82 0.11 -1.26 -2.43 120.40 119.44 1ncu s VAL 31 Ca 0.11 -1.93 0.01 0.00 -2.93 0.00 0.00 61.98 57.23 1ncu s VAL 31 Cb -0.02 -1.83 0.18 0.00 -1.53 0.00 0.00 36.38 33.18 1ncu s VAL 31 CO 0.01 -0.36 0.56 -0.89 -3.33 0.00 0.00 175.10 171.09 1ncu s THR 32 N -2.18 -0.92 -0.23 5.04 2.01 -1.12 -4.97 115.64 113.26 1ncu s THR 32 Ca 0.16 -0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.91 1ncu s THR 32 Cb -0.05 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1ncu s THR 32 CO 0.06 -0.04 0.71 0.26 -0.69 0.00 0.00 174.62 174.93 1ncu s TRP 33 N 2.79 3.32 0.05 4.92 0.52 -1.26 -0.83 118.94 128.46 1ncu s TRP 33 Ca 0.16 0.98 -0.20 0.00 0.02 0.00 0.00 56.10 57.06 1ncu s TRP 33 Cb -0.14 -2.92 0.05 0.00 -1.15 0.00 0.00 33.47 29.31 1ncu s TRP 33 CO -0.22 -0.31 0.48 -0.48 0.02 0.00 0.00 176.95 176.43 1ncu s LEU 34 N 2.46 0.12 0.00 2.99 2.34 0.25 0.49 118.68 127.33 1ncu s LEU 34 Ca 0.31 0.08 0.00 0.00 0.06 0.00 0.00 54.13 54.58 1ncu s LEU 34 Cb -0.16 1.98 0.00 0.00 -0.56 0.00 0.00 46.19 47.45 1ncu s LEU 34 CO 0.09 -0.71 0.00 -1.14 -1.06 0.00 0.00 176.35 173.53 1ncu n ARG 35 N 0.40 0.00 0.00 1.48 3.00 -1.26 -2.75 116.66 117.52 1ncu n ARG 35 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1ncu n ARG 35 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1ncu n ARG 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1ncu n LYS 36 N -1.53 0.00 -1.19 -0.14 0.00 -1.26 -4.98 118.16 109.06 1ncu n LYS 36 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.12 1ncu n LYS 36 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1ncu n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ncu n GLY 37 N 0.00 3.70 1.66 3.14 0.00 -1.26 -4.91 105.19 107.53 1ncu n GLY 37 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1ncu n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ncu n GLN 38 N 1.49 -4.58 -0.44 1.61 -0.06 -1.26 -4.61 117.38 109.53 1ncu n GLN 38 Ca 0.42 3.31 -0.15 0.00 -2.00 0.00 0.00 57.00 58.58 1ncu n GLN 38 Cb 0.69 -3.61 -0.04 0.00 -4.06 0.00 0.00 30.24 23.22 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1ncu n VAL 39 N 0.65 0.00 -0.54 1.69 0.24 -1.26 -4.66 118.33 114.45 1ncu n VAL 39 Ca 0.00 0.00 0.43 0.00 -2.04 0.00 0.00 64.34 62.73 1ncu n VAL 39 Cb 0.00 -0.16 0.69 0.00 -1.47 0.00 0.00 33.84 32.91 1ncu n VAL 39 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ncu n LEU 40 N 2.93 0.11 -4.52 1.34 4.32 0.18 -4.04 117.00 117.32 1ncu n LEU 40 Ca 0.19 1.14 -0.25 0.00 -0.02 0.00 0.00 56.01 57.07 1ncu n LEU 40 Cb 0.00 -0.56 -0.14 0.00 -1.62 0.00 0.00 43.42 41.09 1ncu n LEU 40 CO 0.29 -1.21 1.87 -1.54 -1.22 0.00 0.00 177.39 175.58 1ncu n SER 41 N -4.25 0.27 -3.43 -1.43 3.41 -1.23 -3.39 113.62 103.57 1ncu n SER 41 Ca 0.40 -0.65 -0.19 0.00 -0.26 0.00 0.00 58.87 58.16 1ncu n SER 41 Cb 1.65 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1ncu n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ncu n THR 42 N 7.13 -2.42 -1.70 6.66 -2.24 -1.26 -4.78 114.28 115.67 1ncu n THR 42 Ca 0.58 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 62.02 1ncu n THR 42 Cb 0.25 -2.16 -0.04 0.00 -2.10 0.00 0.00 70.33 66.28 1ncu n THR 42 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ncu n SER 43 N -1.70 7.31 -3.63 3.42 7.64 -1.22 -4.69 113.62 120.76 1ncu n SER 43 Ca -0.23 -3.09 -0.27 0.00 1.01 0.00 0.00 58.87 56.28 1ncu n SER 43 Cb 0.52 -1.33 0.01 0.00 -1.01 0.00 0.00 64.21 62.40 1ncu n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ncu n ALA 44 N 1.55 -1.15 0.00 -0.43 0.00 -1.26 -4.38 120.51 114.84 1ncu n ALA 44 Ca 0.57 0.13 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1ncu n ALA 44 Cb 0.41 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1ncu n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ncu n ARG 45 N -4.15 0.00 -3.45 0.00 3.00 -1.26 -5.05 116.66 105.74 1ncu n ARG 45 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.63 1ncu n ARG 45 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.02 1ncu n ARG 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ncu s HIS 46 N -0.89 1.60 -0.15 -0.14 3.76 -1.26 -3.37 115.29 114.85 1ncu s HIS 46 Ca 0.00 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.11 1ncu s HIS 46 Cb 0.00 -2.08 0.07 0.00 1.11 0.00 0.00 32.58 31.69 1ncu s HIS 46 CO 0.00 -0.78 0.25 -1.14 -0.85 0.00 0.00 174.74 172.22 1ncu s GLN 47 N -4.46 0.15 0.38 1.40 2.00 -1.11 -4.05 119.66 113.98 1ncu s GLN 47 Ca 0.48 0.58 0.08 0.00 -2.00 0.00 0.00 55.36 54.50 1ncu s GLN 47 Cb -0.04 -0.38 -0.06 0.00 0.80 0.00 0.00 33.01 33.33 1ncu s GLN 47 CO 0.30 -0.40 0.09 0.54 -0.50 0.00 0.00 175.29 175.32 1ncu s VAL 48 N 2.39 2.42 0.09 1.34 0.11 -1.26 -1.99 120.40 123.49 1ncu s VAL 48 Ca 0.03 -1.85 -0.14 0.00 -2.93 0.00 0.00 61.98 57.10 1ncu s VAL 48 Cb -0.13 -2.92 0.02 0.00 -1.53 0.00 0.00 36.38 31.82 1ncu s VAL 48 CO -0.09 -0.08 0.34 0.28 -3.33 0.00 0.00 175.10 172.21 1ncu s THR 49 N -2.58 0.09 -0.14 5.04 -1.32 -0.43 -4.83 115.64 111.47 1ncu s THR 49 Ca 0.38 -0.72 -0.13 0.00 -1.21 0.00 0.00 61.69 60.01 1ncu s THR 49 Cb 0.03 -1.14 0.04 0.00 -1.51 0.00 0.00 72.50 69.92 1ncu s THR 49 CO 0.21 -0.40 0.38 -0.89 -2.21 0.00 0.00 174.62 171.71 1ncu s THR 50 N -3.45 -0.00 0.00 5.08 2.01 -1.26 -1.89 115.64 116.12 1ncu s THR 50 Ca 0.01 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1ncu s THR 50 Cb 0.02 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.99 1ncu s THR 50 CO -0.09 0.00 0.00 1.07 -0.69 0.00 0.00 174.62 174.91 1ncu n THR 51 N 2.97 0.00 0.00 -0.82 5.66 -0.88 -5.02 114.28 116.19 1ncu n THR 51 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1ncu n THR 51 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1ncu n THR 51 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ncu n LYS 52 N 0.00 0.00 -0.76 1.09 5.02 -1.26 -4.65 118.16 117.59 1ncu n LYS 52 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1ncu n LYS 52 Cb 0.00 -0.29 0.21 0.00 -0.02 0.00 0.00 35.03 34.94 1ncu n LYS 52 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ncu n TYR 53 N -0.22 1.26 -3.73 2.13 4.02 -1.26 -3.82 117.16 115.54 1ncu n TYR 53 Ca 0.00 -1.45 -0.12 0.00 -0.01 0.00 0.00 57.90 56.32 1ncu n TYR 53 Cb 0.00 -0.50 -0.11 0.00 -0.02 0.00 0.00 39.34 38.72 1ncu n TYR 53 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1ncu s LYS 54 N -3.15 0.42 0.42 -0.72 -2.85 -1.26 -0.58 119.74 112.01 1ncu s LYS 54 Ca 0.45 0.59 0.07 0.00 -1.00 0.00 0.00 55.97 56.08 1ncu s LYS 54 Cb 0.40 0.15 -0.07 0.00 -2.06 0.00 0.00 37.83 36.24 1ncu s LYS 54 CO 0.03 -0.08 0.02 0.45 0.10 0.00 0.00 175.35 175.87 1ncu s SER 55 N 0.53 3.94 -0.17 0.03 0.15 -0.52 -2.08 113.70 115.58 1ncu s SER 55 Ca -0.03 -1.36 -0.14 0.00 0.70 0.00 0.00 55.95 55.12 1ncu s SER 55 Cb -0.04 -0.35 0.05 0.00 -1.71 0.00 0.00 66.02 63.96 1ncu s SER 55 CO -0.03 -0.48 0.45 0.42 1.20 0.00 0.00 173.24 174.80 1ncu s THR 56 N -2.71 -0.01 -0.09 6.45 -4.23 -0.79 -1.57 115.64 112.69 1ncu s THR 56 Ca 0.34 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1ncu s THR 56 Cb 0.09 -0.63 0.01 0.00 1.34 0.00 0.00 72.50 73.30 1ncu s THR 56 CO 0.18 0.01 -0.19 0.12 -0.54 0.00 0.00 174.62 174.19 1ncu s PHE 57 N 0.57 2.13 0.12 3.99 5.36 -0.33 -1.32 117.98 128.51 1ncu s PHE 57 Ca -0.03 -0.88 0.07 0.00 -0.96 0.00 0.00 56.93 55.13 1ncu s PHE 57 Cb -0.04 -1.47 -0.04 0.00 -0.34 0.00 0.00 43.02 41.13 1ncu s PHE 57 CO -0.03 -0.39 -0.16 -1.83 -1.46 0.00 0.00 175.22 171.35 1ncu s GLU 58 N 0.53 1.07 -0.02 10.12 4.04 -0.84 -0.44 118.70 133.17 1ncu s GLU 58 Ca -0.16 -1.23 0.02 0.00 0.04 0.00 0.00 54.97 53.64 1ncu s GLU 58 Cb -0.17 -1.06 0.01 0.00 0.02 0.00 0.00 34.13 32.92 1ncu s GLU 58 CO 0.06 0.22 -0.06 0.42 -1.84 0.00 0.00 175.26 174.06 1ncu s ILE 59 N -1.87 0.54 0.00 1.83 1.01 -1.04 -2.73 121.20 118.94 1ncu s ILE 59 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1ncu s ILE 59 Cb -0.06 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1ncu s ILE 59 CO 0.04 0.18 0.07 -1.20 0.00 0.00 0.00 174.94 174.03 1ncu n SER 60 N 3.35 0.00 0.00 3.58 7.64 -1.26 -3.83 113.62 123.10 1ncu n SER 60 Ca -0.18 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1ncu n SER 60 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1ncu n SER 60 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ncu n SER 61 N 0.00 0.28 -3.78 6.43 2.88 -1.23 -4.35 113.62 113.86 1ncu n SER 61 Ca 0.00 -0.77 -0.34 0.00 -1.33 0.00 0.00 58.87 56.43 1ncu n SER 61 Cb 0.32 0.12 0.02 0.00 -0.75 0.00 0.00 64.21 63.91 1ncu n SER 61 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ncu n VAL 62 N -0.12 0.00 0.00 2.46 3.14 -1.22 -4.82 118.33 117.78 1ncu n VAL 62 Ca 0.00 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1ncu n VAL 62 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 1ncu n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ncu n GLN 63 N 1.62 0.00 -0.43 1.45 1.13 -1.26 -4.36 117.38 115.54 1ncu n GLN 63 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1ncu n GLN 63 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.80 1ncu n GLN 63 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ncu n ALA 64 N -2.27 1.85 0.79 -1.58 0.00 -1.26 -4.83 120.51 113.22 1ncu n ALA 64 Ca 0.00 -0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.11 1ncu n ALA 64 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1ncu n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ncu n SER 65 N 0.00 0.71 -1.48 0.00 2.88 -1.26 -4.23 113.62 110.24 1ncu n SER 65 Ca 0.00 -0.53 -0.12 0.00 -1.33 0.00 0.00 58.87 56.88 1ncu n SER 65 Cb 0.58 0.87 0.12 0.00 -0.75 0.00 0.00 64.21 65.03 1ncu n SER 65 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ncu n ASP 66 N -1.70 3.73 0.00 -3.46 2.03 -1.26 -4.07 116.55 111.81 1ncu n ASP 66 Ca 0.03 -3.81 0.04 0.00 0.52 0.00 0.00 54.79 51.58 1ncu n ASP 66 Cb 0.38 -0.52 0.26 0.00 -0.72 0.00 0.00 41.12 40.52 1ncu n ASP 66 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ncu n GLU 67 N -0.94 0.85 0.00 -0.67 0.28 -1.26 -3.03 120.64 115.87 1ncu n GLU 67 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1ncu n GLU 67 Cb 0.89 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.60 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ncu n GLY 68 N 0.46 4.68 3.95 -1.84 0.00 -1.22 -4.56 105.19 106.66 1ncu n GLY 68 Ca 0.07 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 1ncu n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ncu s ASN 69 N 1.00 6.23 0.06 1.61 -0.87 -1.26 -1.95 114.94 119.76 1ncu s ASN 69 Ca 0.00 0.32 -0.03 0.00 -1.57 0.00 0.00 52.86 51.58 1ncu s ASN 69 Cb 0.00 -1.89 -0.03 0.00 -0.02 0.00 0.00 41.25 39.31 1ncu s ASN 69 CO 0.00 -0.31 0.03 -0.31 -2.57 0.00 0.00 177.10 173.94 1ncu s TYR 70 N -2.27 0.41 0.27 2.20 1.51 -0.54 -4.69 117.35 114.24 1ncu s TYR 70 Ca 0.40 -0.92 -0.03 0.00 -1.01 0.00 0.00 57.07 55.51 1ncu s TYR 70 Cb -0.10 -0.29 0.01 0.00 -0.11 0.00 0.00 41.96 41.47 1ncu s TYR 70 CO 0.35 -0.42 0.40 -1.13 -1.11 0.00 0.00 175.55 173.64 1ncu n SER 71 N 0.11 -1.14 -4.07 2.29 3.41 -1.11 -2.44 113.62 110.67 1ncu n SER 71 Ca -0.15 -2.39 -0.08 0.00 -0.26 0.00 0.00 58.87 56.00 1ncu n SER 71 Cb 0.61 2.07 -0.10 0.00 -0.26 0.00 0.00 64.21 66.53 1ncu n SER 71 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ncu s VAL 72 N -2.66 0.24 -0.25 -3.33 0.11 -0.89 -0.59 120.40 113.03 1ncu s VAL 72 Ca 0.20 -1.64 -0.04 0.00 -2.93 0.00 0.00 61.98 57.57 1ncu s VAL 72 Cb -0.01 -1.28 0.09 0.00 -1.53 0.00 0.00 36.38 33.64 1ncu s VAL 72 CO 0.15 -0.89 0.13 0.68 -3.33 0.00 0.00 175.10 171.84 1ncu s VAL 73 N -3.40 -0.10 -0.30 2.04 -7.23 -0.01 -1.90 120.40 109.50 1ncu s VAL 73 Ca 0.03 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 59.48 1ncu s VAL 73 Cb 0.04 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 1ncu s VAL 73 CO -0.08 -0.56 0.51 0.54 -0.31 0.00 0.00 175.10 175.20 1ncu s VAL 74 N 2.13 5.05 0.31 1.32 0.11 0.73 -2.81 120.40 127.24 1ncu s VAL 74 Ca 0.07 0.63 0.08 0.00 -2.93 0.00 0.00 61.98 59.83 1ncu s VAL 74 Cb -0.16 -3.88 -0.06 0.00 -1.53 0.00 0.00 36.38 30.75 1ncu s VAL 74 CO -0.27 -0.04 -0.07 -1.61 -3.33 0.00 0.00 175.10 169.77 1ncu s GLU 75 N 2.34 1.67 0.00 1.54 2.02 -1.02 -1.50 118.70 123.75 1ncu s GLU 75 Ca 0.20 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1ncu s GLU 75 Cb -0.15 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.69 1ncu s GLU 75 CO 0.11 0.08 0.00 0.27 0.02 0.00 0.00 175.26 175.74 1ncu n ASN 76 N -0.67 0.00 -0.46 -0.19 6.94 -0.63 -1.44 115.26 118.81 1ncu n ASN 76 Ca -0.05 -0.35 0.40 0.00 -0.02 0.00 0.00 54.58 54.56 1ncu n ASN 76 Cb 0.63 0.00 0.61 0.00 -2.36 0.00 0.00 39.78 38.66 1ncu n ASN 76 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ncu n SER 77 N -0.37 0.00 -0.13 0.53 3.41 -1.26 -3.51 113.62 112.28 1ncu n SER 77 Ca 0.00 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1ncu n SER 77 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1ncu n SER 77 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ncu n GLU 78 N -3.50 0.00 -4.00 4.33 0.28 -1.26 -5.04 120.64 111.45 1ncu n GLU 78 Ca 0.33 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 57.03 1ncu n GLU 78 Cb 1.70 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 34.40 1ncu n GLU 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ncu s GLY 79 N 0.00 1.16 -0.67 -1.84 0.00 -1.23 -4.61 107.32 100.12 1ncu s GLY 79 Ca 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 1ncu s GLY 79 CO 0.00 0.63 0.49 0.54 0.00 0.00 0.00 173.10 174.76 1ncu s LYS 80 N 1.47 2.60 0.45 2.90 3.01 -1.26 -1.60 119.74 127.30 1ncu s LYS 80 Ca 0.02 -2.81 0.06 0.00 -1.01 0.00 0.00 55.97 52.23 1ncu s LYS 80 Cb -0.14 -3.67 -0.04 0.00 -1.01 0.00 0.00 37.83 32.97 1ncu s LYS 80 CO -0.09 -1.20 0.13 -1.14 0.51 0.00 0.00 175.35 173.55 1ncu s GLN 81 N -0.56 2.15 0.00 1.68 0.74 -0.56 -4.99 119.66 118.12 1ncu s GLN 81 Ca 0.20 -2.05 0.00 0.00 0.05 0.00 0.00 55.36 53.56 1ncu s GLN 81 Cb -0.17 -1.81 0.00 0.00 1.10 0.00 0.00 33.01 32.13 1ncu s GLN 81 CO -0.06 -0.21 0.00 -0.85 -0.55 0.00 0.00 175.29 173.62 1ncu n GLU 82 N -1.23 0.00 -3.73 1.67 0.28 -1.26 -0.19 120.64 116.17 1ncu n GLU 82 Ca -0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.84 1ncu n GLU 82 Cb 0.66 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.47 1ncu n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ncu s ALA 83 N -1.43 -0.67 0.05 -1.84 0.00 -0.80 -4.87 121.76 112.19 1ncu s ALA 83 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1ncu s ALA 83 Cb 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 1ncu s ALA 83 CO 0.00 -0.64 -0.10 -1.21 0.00 0.00 0.00 175.76 173.82 1ncu s GLU 84 N -3.84 0.62 -0.28 0.00 0.41 -1.26 -2.11 118.70 112.23 1ncu s GLU 84 Ca 0.06 -0.76 -0.20 0.00 -0.41 0.00 0.00 54.97 53.65 1ncu s GLU 84 Cb 0.02 -0.47 0.12 0.00 -1.78 0.00 0.00 34.13 32.03 1ncu s GLU 84 CO -0.09 0.10 0.96 -0.59 -0.49 0.00 0.00 175.26 175.14 1ncu s PHE 85 N -1.23 -0.59 -0.26 1.61 -0.71 -1.02 -4.78 117.98 111.00 1ncu s PHE 85 Ca -0.06 1.30 -0.09 0.00 -1.04 0.00 0.00 56.93 57.03 1ncu s PHE 85 Cb -0.09 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1ncu s PHE 85 CO 0.01 -0.29 0.14 0.95 -1.34 0.00 0.00 175.22 174.69 1ncu s THR 86 N 0.83 4.93 -0.17 -4.49 -4.23 -1.26 -1.47 115.64 109.78 1ncu s THR 86 Ca -0.03 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.47 1ncu s THR 86 Cb -0.04 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 1ncu s THR 86 CO -0.11 0.30 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.50 1ncu s LEU 87 N 1.56 3.34 0.26 4.79 1.02 -0.82 -1.95 118.68 126.87 1ncu s LEU 87 Ca 0.07 -0.12 0.11 0.00 0.02 0.00 0.00 54.13 54.21 1ncu s LEU 87 Cb -0.15 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 1ncu s LEU 87 CO 0.07 0.14 -0.12 0.42 0.02 0.00 0.00 176.35 176.88 1ncu s THR 88 N 0.54 2.91 -0.37 5.49 -4.23 -0.99 -3.39 115.64 115.59 1ncu s THR 88 Ca -0.02 -2.12 0.12 0.00 -1.18 0.00 0.00 61.69 58.50 1ncu s THR 88 Cb -0.14 -2.52 0.37 0.00 1.34 0.00 0.00 72.50 71.55 1ncu s THR 88 CO 0.02 -0.34 0.82 2.30 -0.54 0.00 0.00 174.62 176.88 1ncu n ILE 89 N -0.60 0.05 -1.72 2.99 -6.64 -1.17 -1.49 119.36 110.79 1ncu n ILE 89 Ca -0.07 -3.98 -0.66 0.00 -1.77 0.00 0.00 62.75 56.28 1ncu n ILE 89 Cb 0.59 0.09 -0.10 0.00 -1.44 0.00 0.00 39.64 38.78 1ncu n ILE 89 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ncu n GLN 90 N 0.21 0.19 -0.66 6.28 1.13 0.65 -4.15 117.38 121.03 1ncu n GLN 90 Ca 0.20 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1ncu n GLN 90 Cb 0.70 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79