#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 2.09 0.00 -1.46 -0.00 -1.26 -4.77 118.16 112.76 1ncu n LYS -5 Ca 0.00 -2.63 0.00 0.00 -0.00 0.00 0.00 58.31 55.68 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 -0.95 0.00 -2.79 0.58 -2.24 -1.26 -5.12 114.28 102.50 1ncu n THR -4 Ca 0.17 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.93 1ncu n THR -4 Cb 0.72 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1ncu n THR -4 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ncu n THR -3 N -2.34 -9.49 0.00 4.28 -1.04 -1.26 -5.04 114.28 99.39 1ncu n THR -3 Ca 0.00 1.81 0.00 0.00 -2.04 0.00 0.00 64.05 63.82 1ncu n THR -3 Cb 0.00 -5.61 0.00 0.00 -1.82 0.00 0.00 70.33 62.90 1ncu n THR -3 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1ncu n LEU -2 N 1.51 0.00 0.00 -4.42 0.00 -1.23 -4.98 117.00 107.87 1ncu n LEU -2 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 1ncu n LEU -2 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.76 1ncu n LEU -2 CO 0.31 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.70 1ncu n ALA -1 N -3.00 0.00 -2.71 1.96 0.00 -1.26 -4.78 120.51 110.72 1ncu n ALA -1 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ncu n ALA -1 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.00 3.23 0.39 0.00 0.00 -1.25 -3.09 121.76 119.04 1ncu s ALA 0 Ca 0.00 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.58 1ncu s ALA 0 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1ncu s ALA 0 CO 0.00 -2.29 0.04 1.03 0.00 0.00 0.00 175.76 174.54 1ncu s ARG 1 N 3.51 2.03 -0.22 0.00 0.52 -0.67 -3.48 118.95 120.64 1ncu s ARG 1 Ca 0.25 -1.95 -0.01 0.00 -0.52 0.00 0.00 55.73 53.50 1ncu s ARG 1 Cb -0.15 -1.79 0.02 0.00 0.52 0.00 0.00 34.95 33.54 1ncu s ARG 1 CO 0.16 -0.01 -0.10 0.42 0.02 0.00 0.00 175.30 175.79 1ncu s ILE 2 N -2.63 2.68 -0.10 1.52 1.01 -1.26 -2.07 121.20 120.35 1ncu s ILE 2 Ca 0.36 -0.91 0.14 0.00 0.00 0.00 0.00 60.65 60.24 1ncu s ILE 2 Cb 0.06 -2.27 -0.21 0.00 0.01 0.00 0.00 42.46 40.04 1ncu s ILE 2 CO 0.19 0.35 0.17 0.00 0.00 0.00 0.00 174.94 175.65 1ncu n LEU 3 N 4.67 0.00 -3.14 2.97 -0.00 -0.71 -4.71 117.00 116.07 1ncu n LEU 3 Ca -0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.63 1ncu n LEU 3 Cb 0.49 0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 44.09 1ncu n LEU 3 CO 0.27 0.22 -0.15 0.41 -0.00 0.00 0.00 177.39 178.14 1ncu n THR 4 N -2.36 0.49 -0.81 1.47 -1.04 -1.13 -4.97 114.28 105.94 1ncu n THR 4 Ca -0.16 -4.77 -0.32 0.00 -2.04 0.00 0.00 64.05 56.76 1ncu n THR 4 Cb 0.76 -0.60 0.10 0.00 -1.82 0.00 0.00 70.33 68.77 1ncu n THR 4 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1ncu n LYS 5 N 0.24 -0.87 -3.14 -2.82 2.85 -1.26 -2.21 118.16 110.95 1ncu n LYS 5 Ca 0.26 -0.25 -0.32 0.00 -1.05 0.00 0.00 58.31 56.95 1ncu n LYS 5 Cb 0.60 -1.32 -0.05 0.00 -0.65 0.00 0.00 35.03 33.61 1ncu n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ncu s PRO 6 N -2.71 3.91 0.68 -1.58 0.04 -1.24 -4.56 135.00 129.55 1ncu s PRO 6 Ca 0.41 0.54 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 1ncu s PRO 6 Cb -0.00 -2.47 0.09 0.00 0.04 0.00 0.00 34.50 32.16 1ncu s PRO 6 CO 0.58 0.15 0.96 1.03 0.04 0.00 0.00 177.00 179.76 1ncu s ARG 7 N -3.15 2.00 0.05 4.56 0.52 -1.26 -4.79 118.95 116.88 1ncu s ARG 7 Ca 0.52 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1ncu s ARG 7 Cb -0.10 -2.30 0.01 0.00 0.52 0.00 0.00 34.95 33.08 1ncu s ARG 7 CO 0.21 -1.24 0.07 0.43 0.02 0.00 0.00 175.30 174.79 1ncu n SER 8 N -2.78 0.13 -3.80 0.23 7.64 -1.26 -4.77 113.62 109.00 1ncu n SER 8 Ca 0.11 -1.10 0.03 0.00 1.01 0.00 0.00 58.87 58.92 1ncu n SER 8 Cb 0.60 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.46 0.26 -0.20 1.43 1.75 -0.88 -4.96 119.30 114.26 1ncu s MET 9 Ca 0.05 -0.17 -0.08 0.00 -1.25 0.00 0.00 55.69 54.25 1ncu s MET 9 Cb -0.00 0.08 0.09 0.00 2.84 0.00 0.00 34.83 37.83 1ncu s MET 9 CO 0.03 -0.12 0.43 0.99 -0.65 0.00 0.00 175.02 175.70 1ncu s THR 10 N -2.08 -0.52 0.00 10.11 2.01 -1.26 -2.84 115.64 121.06 1ncu s THR 10 Ca 0.26 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1ncu s THR 10 Cb 0.01 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1ncu s THR 10 CO -0.02 0.06 0.00 1.33 -0.69 0.00 0.00 174.62 175.30 1ncu n VAL 11 N 5.15 0.00 -0.01 3.82 0.24 -0.61 -4.91 118.33 122.01 1ncu n VAL 11 Ca -0.12 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.25 1ncu n VAL 11 Cb 0.51 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.75 1ncu n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ncu n TYR 12 N 0.00 0.00 0.00 6.34 4.19 -1.26 0.19 117.16 126.62 1ncu n TYR 12 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ncu n TYR 12 Cb 0.00 -0.41 0.00 0.00 0.49 0.00 0.00 39.34 39.42 1ncu n TYR 12 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1ncu n GLU 13 N -2.11 0.00 -2.59 2.98 0.28 -1.25 -4.17 120.64 113.78 1ncu n GLU 13 Ca -0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.71 1ncu n GLU 13 Cb 0.48 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.34 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 5.26 0.00 -1.84 0.00 -1.26 -4.38 105.19 102.97 1ncu n GLY 14 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.48 1ncu n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ncu n GLU 15 N -0.37 0.00 0.00 1.61 -0.58 -1.26 -4.26 120.64 115.78 1ncu n GLU 15 Ca 0.33 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1ncu n GLU 15 Cb 0.65 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 1ncu n GLU 15 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ncu n SER 16 N -0.74 0.00 -4.48 1.62 3.41 -1.25 -4.81 113.62 107.37 1ncu n SER 16 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1ncu n SER 16 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 3.38 0.11 7.33 0.00 -1.17 -4.95 121.76 126.46 1ncu s ALA 17 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.44 1ncu s ALA 17 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1ncu s ALA 17 CO 0.00 -1.83 0.28 -0.98 0.00 0.00 0.00 175.76 173.22 1ncu s ARG 18 N 2.57 3.48 0.06 0.00 1.70 -1.26 -1.75 118.95 123.75 1ncu s ARG 18 Ca 0.17 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 55.03 1ncu s ARG 18 Cb -0.17 -2.97 -0.04 0.00 -0.57 0.00 0.00 34.95 31.20 1ncu s ARG 18 CO 0.15 0.54 -0.02 -0.06 -1.08 0.00 0.00 175.30 174.83 1ncu s PHE 19 N -1.62 0.58 -0.20 5.89 0.08 0.17 -4.92 117.98 117.97 1ncu s PHE 19 Ca 0.36 -1.09 -0.08 0.00 0.12 0.00 0.00 56.93 56.24 1ncu s PHE 19 Cb -0.12 -0.41 0.08 0.00 -0.57 0.00 0.00 43.02 42.00 1ncu s PHE 19 CO 0.28 -0.40 0.44 0.45 -0.10 0.00 0.00 175.22 175.89 1ncu s SER 20 N -2.94 -0.43 -0.19 1.36 0.15 -1.26 -1.09 113.70 109.29 1ncu s SER 20 Ca 0.10 1.01 0.01 0.00 0.70 0.00 0.00 55.95 57.77 1ncu s SER 20 Cb 0.08 1.16 0.02 0.00 -1.71 0.00 0.00 66.02 65.57 1ncu s SER 20 CO -0.08 -0.22 -0.19 0.00 1.20 0.00 0.00 173.24 173.96 1ncu s ASP 22 N 1.27 6.48 -0.10 0.00 1.11 -0.94 -1.59 116.67 122.89 1ncu s ASP 22 Ca 0.03 0.57 0.02 0.00 0.18 0.00 0.00 52.55 53.36 1ncu s ASP 22 Cb -0.14 -2.28 0.01 0.00 1.07 0.00 0.00 42.92 41.58 1ncu s ASP 22 CO -0.12 -0.23 -0.17 0.42 1.18 0.00 0.00 175.17 176.25 1ncu s THR 23 N 1.97 1.60 0.66 -1.27 -4.23 0.15 -1.75 115.64 112.78 1ncu s THR 23 Ca 0.22 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1ncu s THR 23 Cb -0.15 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.29 1ncu s THR 23 CO 0.09 0.46 0.98 -1.81 -0.54 0.00 0.00 174.62 173.80 1ncu s ASP 24 N 0.77 5.11 0.00 3.99 1.01 -0.88 -4.35 116.67 122.32 1ncu s ASP 24 Ca -0.11 0.56 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1ncu s ASP 24 Cb -0.16 -1.34 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1ncu s ASP 24 CO 0.02 -1.40 0.00 0.61 0.21 0.00 0.00 175.17 174.61 1ncu n GLY 25 N -2.80 3.87 2.90 0.21 0.00 -1.18 -1.67 105.19 106.52 1ncu n GLY 25 Ca 0.07 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.56 0.78 0.00 1.61 -6.30 -1.26 -3.99 118.70 106.97 1ncu s GLU 26 Ca 0.00 -0.12 0.00 0.00 -2.50 0.00 0.00 54.97 52.35 1ncu s GLU 26 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 34.13 33.35 1ncu s GLU 26 CO 0.00 -0.05 0.00 -0.35 0.02 0.00 0.00 175.26 174.88 1ncu n PRO 27 N 3.88 -0.21 -1.63 4.30 -0.04 -1.26 -3.49 135.00 136.56 1ncu n PRO 27 Ca -0.24 0.00 -0.62 0.00 -0.04 0.00 0.00 63.50 62.60 1ncu n PRO 27 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.71 0.02 -1.33 0.52 0.31 -1.26 -4.86 118.33 110.03 1ncu n VAL 28 Ca 0.00 -0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 1ncu n VAL 28 Cb 0.00 -0.34 0.19 0.00 -0.91 0.00 0.00 33.84 32.77 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 1.53 0.10 0.49 5.55 0.04 -1.23 -4.88 135.00 136.60 1ncu s PRO 29 Ca 0.97 0.16 0.02 0.00 0.04 0.00 0.00 61.00 62.19 1ncu s PRO 29 Cb -1.33 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 1ncu s PRO 29 CO 0.67 -2.87 0.06 -0.08 0.04 0.00 0.00 177.00 174.82 1ncu s THR 30 N -3.17 0.83 -0.11 1.26 -1.32 -0.73 -4.81 115.64 107.60 1ncu s THR 30 Ca 0.68 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 59.01 1ncu s THR 30 Cb -0.13 -2.13 0.03 0.00 -1.51 0.00 0.00 72.50 68.76 1ncu s THR 30 CO 0.55 0.00 0.37 0.54 -2.21 0.00 0.00 174.62 173.88 1ncu s VAL 31 N -3.01 0.02 -0.17 5.08 0.11 -1.26 -3.46 120.40 117.71 1ncu s VAL 31 Ca 0.09 -0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1ncu s VAL 31 Cb 0.01 -0.57 0.06 0.00 -1.53 0.00 0.00 36.38 34.35 1ncu s VAL 31 CO 0.06 -0.07 0.07 -0.89 -3.33 0.00 0.00 175.10 170.94 1ncu s THR 32 N -0.25 0.14 -0.37 5.04 2.01 -1.16 -4.96 115.64 116.09 1ncu s THR 32 Ca -0.04 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 61.46 1ncu s THR 32 Cb -0.03 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1ncu s THR 32 CO 0.02 -0.22 0.75 0.26 -0.69 0.00 0.00 174.62 174.74 1ncu s TRP 33 N 2.03 3.10 0.11 4.92 0.52 -1.26 -0.05 118.94 128.32 1ncu s TRP 33 Ca 0.01 0.46 -0.18 0.00 0.02 0.00 0.00 56.10 56.41 1ncu s TRP 33 Cb -0.16 -3.38 0.04 0.00 -1.15 0.00 0.00 33.47 28.82 1ncu s TRP 33 CO -0.08 -0.74 0.46 -0.48 0.02 0.00 0.00 176.95 176.12 1ncu s LEU 34 N 3.04 0.15 0.00 2.99 2.34 -0.06 -0.38 118.68 126.77 1ncu s LEU 34 Ca 0.30 -0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.33 1ncu s LEU 34 Cb -0.13 2.01 0.00 0.00 -0.56 0.00 0.00 46.19 47.51 1ncu s LEU 34 CO 0.17 -0.84 0.00 -1.14 -1.06 0.00 0.00 176.35 173.49 1ncu n ARG 35 N -0.09 0.00 0.00 1.48 3.00 -1.26 -2.68 116.66 117.11 1ncu n ARG 35 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1ncu n ARG 35 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 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 -1.49 0.00 -1.31 -0.14 4.81 -1.26 -4.99 118.16 113.77 1ncu n LYS 36 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1ncu n LYS 36 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1ncu n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ncu n GLY 37 N 0.00 3.85 3.61 3.14 0.00 -1.26 -4.79 105.19 109.74 1ncu n GLY 37 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 1ncu n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ncu n GLN 38 N 1.63 -1.52 -0.77 1.61 10.64 -1.26 -4.63 117.38 123.07 1ncu n GLN 38 Ca 0.48 0.96 0.09 0.00 -1.83 0.00 0.00 57.00 56.70 1ncu n GLN 38 Cb 0.67 -3.08 -0.03 0.00 -0.86 0.00 0.00 30.24 26.95 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1ncu n VAL 39 N -2.31 0.00 -0.00 -0.39 0.24 -1.26 -4.80 118.33 109.81 1ncu n VAL 39 Ca -0.24 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1ncu n VAL 39 Cb 0.65 -0.32 -0.01 0.00 -1.47 0.00 0.00 33.84 32.69 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 -2.56 0.00 -4.51 1.34 4.32 0.49 -4.84 117.00 111.24 1ncu n LEU 40 Ca -0.01 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.74 1ncu n LEU 40 Cb 0.58 0.01 -0.17 0.00 -1.62 0.00 0.00 43.42 42.22 1ncu n LEU 40 CO 0.01 0.01 1.94 -1.54 -1.22 0.00 0.00 177.39 176.59 1ncu n SER 41 N -1.72 -0.29 -3.19 -1.43 3.41 -1.26 -3.38 113.62 105.76 1ncu n SER 41 Ca -0.01 -0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 57.91 1ncu n SER 41 Cb 0.21 -0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 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 6.66 -0.37 0.32 6.66 -2.24 -1.25 -4.80 114.28 119.26 1ncu n THR 42 Ca 0.62 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1ncu n THR 42 Cb 0.20 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 1ncu n THR 42 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ncu h SER 43 N 0.64 -0.72 0.00 3.42 0.87 -1.72 -3.46 113.55 112.58 1ncu h SER 43 Ca -0.17 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ncu h SER 43 Cb 0.36 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1ncu h SER 43 CO 0.17 -0.41 0.00 0.00 -0.53 0.00 0.00 176.83 176.06 1ncu n ALA 44 N -2.59 0.00 0.00 6.23 0.00 -1.26 -4.99 120.51 117.90 1ncu n ALA 44 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ncu n ALA 44 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1ncu n ALA 44 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ncu n ARG 45 N 0.00 0.00 -4.61 0.00 1.85 -1.26 -4.74 116.66 107.90 1ncu n ARG 45 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 1ncu n ARG 45 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1ncu n ARG 45 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1ncu s HIS 46 N 0.00 2.35 -0.04 2.89 -3.43 -1.26 0.38 115.29 116.18 1ncu s HIS 46 Ca 0.00 -0.76 -0.02 0.00 -0.80 0.00 0.00 55.06 53.49 1ncu s HIS 46 Cb 0.00 -1.67 0.03 0.00 -1.43 0.00 0.00 32.58 29.51 1ncu s HIS 46 CO 0.00 0.34 0.06 -1.14 -2.00 0.00 0.00 174.74 172.01 1ncu s GLN 47 N -3.76 -0.06 0.36 -0.38 -0.44 -1.05 -3.88 119.66 110.45 1ncu s GLN 47 Ca 0.32 0.35 0.09 0.00 -2.50 0.00 0.00 55.36 53.62 1ncu s GLN 47 Cb 0.09 -0.44 -0.06 0.00 -1.64 0.00 0.00 33.01 30.96 1ncu s GLN 47 CO 0.16 -0.30 0.02 0.54 0.50 0.00 0.00 175.29 176.21 1ncu s VAL 48 N 1.96 2.49 0.18 1.34 0.11 -1.26 -2.02 120.40 123.19 1ncu s VAL 48 Ca 0.02 -1.97 -0.12 0.00 -2.93 0.00 0.00 61.98 56.98 1ncu s VAL 48 Cb -0.12 -2.82 0.01 0.00 -1.53 0.00 0.00 36.38 31.91 1ncu s VAL 48 CO -0.03 -0.16 0.38 0.28 -3.33 0.00 0.00 175.10 172.24 1ncu s THR 49 N -2.56 0.05 -0.09 5.04 -1.32 -0.61 -4.73 115.64 111.43 1ncu s THR 49 Ca 0.35 -1.16 -0.14 0.00 -1.21 0.00 0.00 61.69 59.54 1ncu s THR 49 Cb 0.02 -1.76 0.03 0.00 -1.51 0.00 0.00 72.50 69.28 1ncu s THR 49 CO 0.19 -0.22 0.34 -0.89 -2.21 0.00 0.00 174.62 171.84 1ncu s THR 50 N -3.93 0.02 0.00 5.08 2.01 -1.26 -1.99 115.64 115.57 1ncu s THR 50 Ca 0.14 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1ncu s THR 50 Cb 0.01 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1ncu s THR 50 CO -0.01 -0.10 0.00 0.41 -0.69 0.00 0.00 174.62 174.23 1ncu n THR 51 N 2.23 0.00 0.00 -0.82 -1.04 -0.65 -4.99 114.28 109.01 1ncu n THR 51 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1ncu n THR 51 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1ncu n THR 51 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ncu n LYS 52 N 0.00 0.00 -0.50 -2.82 4.01 -1.26 -4.59 118.16 113.00 1ncu n LYS 52 Ca 0.00 0.42 0.05 0.00 -0.51 0.00 0.00 58.31 58.26 1ncu n LYS 52 Cb 0.00 -0.91 0.22 0.00 -0.51 0.00 0.00 35.03 33.82 1ncu n LYS 52 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ncu n TYR 53 N -1.98 0.77 -3.67 2.13 4.01 -1.26 -3.49 117.16 113.67 1ncu n TYR 53 Ca 0.00 -1.17 -0.09 0.00 -0.16 0.00 0.00 57.90 56.48 1ncu n TYR 53 Cb 0.00 -0.34 -0.10 0.00 -0.31 0.00 0.00 39.34 38.59 1ncu n TYR 53 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ncu s LYS 54 N -3.00 0.38 0.44 -0.72 -2.85 -1.26 -0.67 119.74 112.06 1ncu s LYS 54 Ca 0.41 0.93 0.07 0.00 -1.00 0.00 0.00 55.97 56.39 1ncu s LYS 54 Cb 0.35 0.16 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1ncu s LYS 54 CO 0.04 -0.20 0.39 0.45 0.10 0.00 0.00 175.35 176.13 1ncu s SER 55 N 1.97 4.97 -0.11 0.03 0.15 -0.62 -1.63 113.70 118.45 1ncu s SER 55 Ca -0.06 -0.83 -0.16 0.00 0.70 0.00 0.00 55.95 55.60 1ncu s SER 55 Cb -0.10 -0.40 0.04 0.00 -1.71 0.00 0.00 66.02 63.85 1ncu s SER 55 CO -0.13 -0.74 0.41 0.42 1.20 0.00 0.00 173.24 174.40 1ncu s THR 56 N -2.53 0.02 -0.09 6.45 -4.23 -0.84 -1.31 115.64 113.10 1ncu s THR 56 Ca 0.47 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 1ncu s THR 56 Cb -0.03 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.21 1ncu s THR 56 CO 0.27 -0.07 -0.09 0.12 -0.54 0.00 0.00 174.62 174.31 1ncu s PHE 57 N -0.32 1.40 -0.06 3.99 5.36 -0.25 -1.57 117.98 126.52 1ncu s PHE 57 Ca -0.05 -0.62 0.02 0.00 -0.96 0.00 0.00 56.93 55.33 1ncu s PHE 57 Cb -0.03 -1.12 0.01 0.00 -0.34 0.00 0.00 43.02 41.53 1ncu s PHE 57 CO 0.02 -0.40 -0.12 -1.83 -1.46 0.00 0.00 175.22 171.42 1ncu s GLU 58 N 1.30 1.66 -0.18 10.12 4.04 -0.86 0.45 118.70 135.24 1ncu s GLU 58 Ca -0.03 -0.43 -0.04 0.00 0.04 0.00 0.00 54.97 54.52 1ncu s GLU 58 Cb -0.14 -1.39 -0.02 0.00 0.02 0.00 0.00 34.13 32.60 1ncu s GLU 58 CO -0.04 0.05 -0.04 0.42 -1.84 0.00 0.00 175.26 173.82 1ncu s ILE 59 N 0.57 3.68 0.00 1.83 1.01 -0.72 -2.52 121.20 125.07 1ncu s ILE 59 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1ncu s ILE 59 Cb -0.15 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1ncu s ILE 59 CO 0.03 0.46 0.37 -1.20 0.00 0.00 0.00 174.94 174.60 1ncu n SER 60 N 4.07 0.00 0.00 3.58 7.64 -1.26 -3.06 113.62 124.59 1ncu n SER 60 Ca -0.18 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1ncu n SER 60 Cb 0.52 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.62 -3.51 6.43 2.88 -0.91 -4.59 113.62 114.54 1ncu n SER 61 Ca 0.00 -1.06 -0.49 0.00 -1.33 0.00 0.00 58.87 55.99 1ncu n SER 61 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1ncu n SER 61 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1ncu n VAL 62 N -0.03 0.00 0.00 2.46 0.31 0.16 -4.62 118.33 116.61 1ncu n VAL 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ncu n VAL 62 Cb 0.13 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1ncu n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ncu n GLN 63 N 2.58 2.86 0.09 5.55 10.64 -1.26 -4.39 117.38 133.44 1ncu n GLN 63 Ca 0.21 0.00 0.20 0.00 -1.83 0.00 0.00 57.00 55.59 1ncu n GLN 63 Cb -0.02 0.00 0.75 0.00 -0.86 0.00 0.00 30.24 30.11 1ncu n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ncu h ALA 64 N -2.00 2.14 0.00 2.61 0.00 -1.99 -3.45 119.26 116.58 1ncu h ALA 64 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ncu h ALA 64 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ncu h ALA 64 CO 0.00 -0.62 0.00 0.43 0.00 0.00 0.00 179.25 179.06 1ncu n SER 65 N -3.81 0.00 0.00 0.00 7.64 -1.26 -4.98 113.62 111.20 1ncu n SER 65 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ncu n SER 65 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1ncu n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ncu n ASP 66 N 0.00 0.00 -3.94 6.43 -0.08 -1.26 -5.08 116.55 112.62 1ncu n ASP 66 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1ncu n ASP 66 Cb 0.00 -0.02 0.01 0.00 2.34 0.00 0.00 41.12 43.45 1ncu n ASP 66 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ncu n GLU 67 N -1.66 0.05 -0.11 -0.67 2.13 -1.26 -4.95 120.64 114.17 1ncu n GLU 67 Ca 0.00 -0.56 -0.14 0.00 0.66 0.00 0.00 57.16 57.12 1ncu n GLU 67 Cb 0.00 1.05 -0.11 0.00 0.27 0.00 0.00 31.44 32.66 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ncu n GLY 68 N -0.96 -0.38 3.82 8.31 0.00 -1.20 -3.61 105.19 111.17 1ncu n GLY 68 Ca 0.06 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.98 6.26 0.04 1.61 -0.87 -1.26 0.30 114.94 115.05 1ncu s ASN 69 Ca -0.26 0.38 -0.14 0.00 -1.57 0.00 0.00 52.86 51.26 1ncu s ASN 69 Cb 0.07 -2.05 0.02 0.00 -0.02 0.00 0.00 41.25 39.28 1ncu s ASN 69 CO 0.53 0.34 0.31 -0.31 -2.57 0.00 0.00 177.10 175.40 1ncu s TYR 70 N -0.59 -0.12 0.04 2.20 2.02 -0.68 -4.76 117.35 115.47 1ncu s TYR 70 Ca 0.13 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1ncu s TYR 70 Cb -0.12 0.10 0.00 0.00 -0.40 0.00 0.00 41.96 41.55 1ncu s TYR 70 CO 0.02 -0.51 0.05 -1.13 -1.57 0.00 0.00 175.55 172.42 1ncu n SER 71 N 0.57 -0.15 -3.45 2.29 3.41 -1.09 -2.51 113.62 112.69 1ncu n SER 71 Ca -0.19 -1.24 -0.17 0.00 -0.26 0.00 0.00 58.87 57.01 1ncu n SER 71 Cb 0.59 0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.41 -0.38 -0.75 -3.33 0.11 -0.82 -0.88 120.40 111.95 1ncu s VAL 72 Ca 0.04 -0.25 -0.21 0.00 -2.93 0.00 0.00 61.98 58.64 1ncu s VAL 72 Cb -0.00 -0.80 0.10 0.00 -1.53 0.00 0.00 36.38 34.14 1ncu s VAL 72 CO 0.03 -0.29 0.98 0.68 -3.33 0.00 0.00 175.10 173.17 1ncu s VAL 73 N 2.36 4.54 0.52 2.04 -7.23 0.92 -1.43 120.40 122.14 1ncu s VAL 73 Ca 0.09 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 1ncu s VAL 73 Cb -0.15 -4.69 -0.00 0.00 0.56 0.00 0.00 36.38 32.09 1ncu s VAL 73 CO -0.20 -1.43 0.81 -0.69 -0.31 0.00 0.00 175.10 173.28 1ncu s VAL 74 N 3.36 4.03 0.00 1.32 1.01 0.15 -3.01 120.40 127.26 1ncu s VAL 74 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1ncu s VAL 74 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1ncu s VAL 74 CO 0.02 -0.51 0.00 -1.84 0.00 0.00 0.00 175.10 172.78 1ncu n GLU 75 N -2.36 0.00 0.00 2.72 0.00 -1.22 -0.93 120.64 118.85 1ncu n GLU 75 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1ncu n GLU 75 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.01 1ncu n GLU 75 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ncu n ASN 76 N -0.07 0.00 0.00 -1.84 6.94 0.44 -1.77 115.26 118.97 1ncu n ASN 76 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ncu n ASN 76 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ncu n ASN 76 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1ncu n SER 77 N 0.00 0.00 -0.42 0.53 2.88 -1.26 -3.77 113.62 111.58 1ncu n SER 77 Ca 0.00 0.48 -0.01 0.00 -1.33 0.00 0.00 58.87 58.01 1ncu n SER 77 Cb 0.00 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 62.97 1ncu n SER 77 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ncu n GLU 78 N -1.48 0.00 -3.75 -1.46 0.00 -1.26 -5.08 120.64 107.61 1ncu n GLU 78 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 57.16 56.87 1ncu n GLU 78 Cb 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 31.44 31.49 1ncu n GLU 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ncu s GLY 79 N -0.17 -0.16 -0.35 -1.84 0.00 -1.25 -4.72 107.32 98.82 1ncu s GLY 79 Ca 0.00 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.62 1ncu s GLY 79 CO 0.00 1.00 0.12 1.25 0.00 0.00 0.00 173.10 175.47 1ncu s LYS 80 N 0.82 1.12 0.33 2.90 2.47 -1.26 -0.42 119.74 125.70 1ncu s LYS 80 Ca -0.06 -1.58 0.04 0.00 -1.56 0.00 0.00 55.97 52.82 1ncu s LYS 80 Cb -0.07 -2.50 -0.06 0.00 -1.46 0.00 0.00 37.83 33.74 1ncu s LYS 80 CO -0.05 -1.01 0.05 -1.14 0.16 0.00 0.00 175.35 173.36 1ncu s GLN 81 N 1.06 1.67 0.25 4.03 0.74 -0.10 -4.97 119.66 122.33 1ncu s GLN 81 Ca 0.12 -1.92 -0.11 0.00 0.05 0.00 0.00 55.36 53.49 1ncu s GLN 81 Cb -0.20 -0.92 -0.01 0.00 1.10 0.00 0.00 33.01 32.98 1ncu s GLN 81 CO -0.14 -0.17 0.45 -1.83 -0.55 0.00 0.00 175.29 173.05 1ncu s GLU 82 N -3.88 1.55 0.08 1.67 -1.05 -1.26 0.34 118.70 116.15 1ncu s GLU 82 Ca 0.36 -1.32 0.06 0.00 -0.15 0.00 0.00 54.97 53.92 1ncu s GLU 82 Cb 0.09 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 34.20 1ncu s GLU 82 CO 0.16 -0.64 -0.15 0.00 0.95 0.00 0.00 175.26 175.58 1ncu s ALA 83 N -3.95 1.29 0.00 -0.84 0.00 -0.51 -4.91 121.76 112.83 1ncu s ALA 83 Ca 0.24 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1ncu s ALA 83 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1ncu s ALA 83 CO 0.10 0.17 -0.16 -1.21 0.00 0.00 0.00 175.76 174.66 1ncu s GLU 84 N -1.92 1.21 0.31 0.00 0.41 -1.26 -1.94 118.70 115.50 1ncu s GLU 84 Ca 0.01 -0.64 -0.11 0.00 -0.41 0.00 0.00 54.97 53.82 1ncu s GLU 84 Cb -0.09 -1.20 0.05 0.00 -1.78 0.00 0.00 34.13 31.11 1ncu s GLU 84 CO 0.03 0.32 0.61 1.97 -0.49 0.00 0.00 175.26 177.70 1ncu n PHE 85 N 2.45 -2.06 -3.70 1.61 1.16 -1.04 -4.93 117.46 110.95 1ncu n PHE 85 Ca -0.15 -1.44 -0.13 0.00 -1.87 0.00 0.00 57.45 53.86 1ncu n PHE 85 Cb 0.54 0.72 -0.13 0.00 -1.61 0.00 0.00 39.48 39.00 1ncu n PHE 85 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ncu s THR 86 N -2.31 -0.20 -0.16 1.97 -4.23 -1.26 -1.69 115.64 107.76 1ncu s THR 86 Ca 0.12 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1ncu s THR 86 Cb -0.04 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.39 1ncu s THR 86 CO 0.09 0.08 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.34 1ncu s LEU 87 N 1.77 2.44 0.00 4.79 2.01 0.87 -2.07 118.68 128.49 1ncu s LEU 87 Ca -0.05 -0.49 0.03 0.00 0.01 0.00 0.00 54.13 53.63 1ncu s LEU 87 Cb -0.11 -1.56 0.03 0.00 0.01 0.00 0.00 46.19 44.56 1ncu s LEU 87 CO -0.09 0.07 0.22 0.41 1.01 0.00 0.00 176.35 177.97 1ncu n THR 88 N 4.16 0.00 -2.82 5.49 -1.04 -1.13 -3.26 114.28 115.69 1ncu n THR 88 Ca -0.19 -1.79 -0.01 0.00 -2.04 0.00 0.00 64.05 60.02 1ncu n THR 88 Cb 0.51 0.04 0.05 0.00 -1.82 0.00 0.00 70.33 69.12 1ncu n THR 88 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1ncu n ILE 89 N -1.35 1.29 0.00 12.58 -0.00 -1.09 -1.57 119.36 129.22 1ncu n ILE 89 Ca -0.07 -2.95 0.00 0.00 -0.00 0.00 0.00 62.75 59.73 1ncu n ILE 89 Cb 0.50 1.23 0.00 0.00 -0.00 0.00 0.00 39.64 41.38 1ncu n ILE 89 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1ncu n GLN 90 N -0.58 0.00 0.00 6.28 0.00 0.50 -3.96 117.38 119.62 1ncu n GLN 90 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 1ncu n GLN 90 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.04 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23