#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 0.00 -2.88 -1.46 2.85 -1.26 -4.72 118.16 110.69 1ncu n LYS -5 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1ncu n LYS -5 Cb 0.00 -0.48 0.05 0.00 -0.65 0.00 0.00 35.03 33.95 1ncu n LYS -5 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1ncu n THR -4 N 0.00 -0.08 -0.31 0.58 5.66 -1.26 -4.92 114.28 113.95 1ncu n THR -4 Ca 0.00 -2.48 0.07 0.00 -3.05 0.00 0.00 64.05 58.59 1ncu n THR -4 Cb 0.00 0.86 0.23 0.00 -1.55 0.00 0.00 70.33 69.87 1ncu n THR -4 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1ncu h THR -3 N 2.39 0.76 0.00 1.09 2.02 -1.85 -3.37 112.91 113.95 1ncu h THR -3 Ca -0.04 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1ncu h THR -3 Cb 1.05 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1ncu h THR -3 CO 0.27 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.28 1ncu n LEU -2 N -4.82 0.00 0.00 2.58 -0.00 -1.26 -5.09 117.00 108.40 1ncu n LEU -2 Ca 0.18 -0.43 0.00 0.00 -0.00 0.00 0.00 56.01 55.75 1ncu n LEU -2 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1ncu n LEU -2 CO 0.22 0.45 0.00 0.00 -0.00 0.00 0.00 177.39 178.06 1ncu n ALA -1 N 0.00 0.00 -3.68 1.47 0.00 -1.26 -4.34 120.51 112.71 1ncu n ALA -1 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ncu n ALA -1 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.00 -1.09 0.05 0.00 0.00 -1.26 -3.52 121.76 114.94 1ncu s ALA 0 Ca 0.00 1.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 1ncu s ALA 0 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1ncu s ALA 0 CO 0.00 -0.51 0.06 -0.98 0.00 0.00 0.00 175.76 174.33 1ncu s ARG 1 N 2.00 0.63 -0.18 0.00 1.70 -0.90 -3.79 118.95 118.42 1ncu s ARG 1 Ca -0.06 -0.97 -0.03 0.00 -0.47 0.00 0.00 55.73 54.21 1ncu s ARG 1 Cb -0.10 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.50 1ncu s ARG 1 CO -0.13 -0.15 -0.05 0.42 -1.08 0.00 0.00 175.30 174.31 1ncu s ILE 2 N -3.29 3.57 -0.17 4.99 1.01 -1.26 -1.38 121.20 124.66 1ncu s ILE 2 Ca 0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1ncu s ILE 2 Cb 0.03 -2.58 -0.11 0.00 0.01 0.00 0.00 42.46 39.82 1ncu s ILE 2 CO -0.08 0.47 0.03 0.25 0.00 0.00 0.00 174.94 175.61 1ncu h LEU 3 N 7.25 0.00 -8.36 2.97 6.46 -1.46 -3.48 115.31 118.68 1ncu h LEU 3 Ca -0.34 -0.25 -0.59 0.00 -0.12 0.00 0.00 57.88 56.59 1ncu h LEU 3 Cb 1.19 0.00 -0.30 0.00 -0.73 0.00 0.00 40.66 40.82 1ncu h LEU 3 CO 0.60 1.08 -0.85 -0.89 -0.62 0.00 0.00 178.44 177.76 1ncu s THR 4 N -2.26 1.55 0.52 1.05 2.01 -0.78 -4.96 115.64 112.77 1ncu s THR 4 Ca -0.20 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.04 1ncu s THR 4 Cb 0.04 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.29 1ncu s THR 4 CO 0.39 0.44 0.53 -0.54 -0.69 0.00 0.00 174.62 174.74 1ncu s LYS 5 N -0.34 2.36 0.48 4.92 1.02 -1.26 -0.14 119.74 126.78 1ncu s LYS 5 Ca 0.05 -1.76 -0.17 0.00 0.02 0.00 0.00 55.97 54.11 1ncu s LYS 5 Cb -0.09 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 34.78 1ncu s LYS 5 CO 0.00 -0.59 0.95 -1.25 -0.92 0.00 0.00 175.35 173.54 1ncu s PRO 6 N -4.37 3.98 -0.12 -1.68 0.04 -1.23 -4.51 135.00 127.10 1ncu s PRO 6 Ca 0.47 0.92 0.11 0.00 0.04 0.00 0.00 61.00 62.54 1ncu s PRO 6 Cb -0.04 -2.18 0.53 0.00 0.04 0.00 0.00 34.50 32.85 1ncu s PRO 6 CO 0.29 -0.19 1.35 2.89 0.04 0.00 0.00 177.00 181.38 1ncu n ARG 7 N -1.35 3.26 0.00 4.56 1.85 -1.26 -4.94 116.66 118.78 1ncu n ARG 7 Ca 0.06 -2.05 0.00 0.00 -1.00 0.00 0.00 57.85 54.86 1ncu n ARG 7 Cb 0.54 -1.86 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 1ncu n ARG 7 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1ncu n SER 8 N 0.57 -1.78 -3.43 2.89 7.64 -1.26 -4.98 113.62 113.27 1ncu n SER 8 Ca 0.18 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.08 1ncu n SER 8 Cb 0.77 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.98 1ncu n SER 8 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ncu n MET 9 N -0.43 0.25 -3.33 1.43 1.56 -1.10 -4.97 117.12 110.54 1ncu n MET 9 Ca 0.00 -0.83 -0.08 0.00 -0.27 0.00 0.00 57.70 56.52 1ncu n MET 9 Cb 0.00 1.29 -0.07 0.00 2.15 0.00 0.00 33.22 36.59 1ncu n MET 9 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1ncu s THR 10 N -2.05 -0.64 0.00 1.12 2.01 -1.26 -3.31 115.64 111.51 1ncu s THR 10 Ca 0.26 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1ncu s THR 10 Cb -0.01 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1ncu s THR 10 CO 0.01 -0.12 0.00 1.33 -0.69 0.00 0.00 174.62 175.14 1ncu n VAL 11 N 5.37 0.00 -0.02 3.82 0.24 -0.64 -4.96 118.33 122.14 1ncu n VAL 11 Ca -0.03 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.31 1ncu n VAL 11 Cb 0.50 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 0.15 117.16 126.58 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 -0.42 0.00 0.00 0.49 0.00 0.00 39.34 39.41 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 -2.14 0.00 -2.70 2.98 0.28 -1.26 -4.10 120.64 113.71 1ncu n GLU 13 Ca -0.07 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.54 1ncu n GLU 13 Cb 0.52 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.40 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 6.02 0.14 -1.84 0.00 -1.26 -4.77 105.19 103.49 1ncu n GLY 14 Ca 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 46.02 43.35 1ncu n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ncu h GLU 15 N 4.10 -0.35 0.00 1.61 4.39 -1.96 -3.34 114.58 119.04 1ncu h GLU 15 Ca 0.47 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 60.10 1ncu h GLU 15 Cb 0.36 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.99 1ncu h GLU 15 CO 1.14 -0.23 0.16 -1.13 -1.16 0.00 0.00 179.01 177.78 1ncu n SER 16 N -3.01 -1.13 -4.41 1.42 3.41 -1.26 -5.02 113.62 103.63 1ncu n SER 16 Ca -0.04 -1.68 -0.45 0.00 -0.26 0.00 0.00 58.87 56.44 1ncu n SER 16 Cb 0.14 1.06 -0.02 0.00 -0.26 0.00 0.00 64.21 65.13 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 0.03 3.84 0.24 7.33 0.00 -1.26 -5.02 121.76 126.90 1ncu s ALA 17 Ca 0.12 -3.15 -0.11 0.00 0.00 0.00 0.00 51.96 48.81 1ncu s ALA 17 Cb 0.18 -3.86 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 1ncu s ALA 17 CO -0.12 -2.66 0.58 0.50 0.00 0.00 0.00 175.76 174.07 1ncu s ARG 18 N 1.33 3.86 0.11 0.00 3.52 -1.26 -3.08 118.95 123.44 1ncu s ARG 18 Ca 0.30 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.30 1ncu s ARG 18 Cb -0.07 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1ncu s ARG 18 CO -0.08 0.31 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.60 1ncu s PHE 19 N -1.80 0.99 -0.19 5.12 0.08 0.12 -4.88 117.98 117.42 1ncu s PHE 19 Ca 0.47 -0.89 -0.08 0.00 0.12 0.00 0.00 56.93 56.55 1ncu s PHE 19 Cb -0.12 -0.55 0.08 0.00 -0.57 0.00 0.00 43.02 41.86 1ncu s PHE 19 CO 0.20 -0.11 0.42 0.45 -0.10 0.00 0.00 175.22 176.08 1ncu s SER 20 N -3.08 -0.33 -0.20 1.36 0.15 -1.26 -0.80 113.70 109.55 1ncu s SER 20 Ca 0.14 0.98 0.01 0.00 0.70 0.00 0.00 55.95 57.78 1ncu s SER 20 Cb 0.05 1.22 0.03 0.00 -1.71 0.00 0.00 66.02 65.60 1ncu s SER 20 CO -0.03 -0.22 -0.17 0.00 1.20 0.00 0.00 173.24 174.01 1ncu s ASP 22 N 1.27 6.45 -0.08 0.00 1.01 0.81 -1.55 116.67 124.58 1ncu s ASP 22 Ca 0.03 0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.49 1ncu s ASP 22 Cb -0.14 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1ncu s ASP 22 CO -0.11 -0.66 -0.21 0.42 0.21 0.00 0.00 175.17 174.82 1ncu s THR 23 N 2.85 2.40 0.19 -1.27 -4.23 0.42 -1.08 115.64 114.92 1ncu s THR 23 Ca 0.26 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.72 1ncu s THR 23 Cb -0.14 -1.92 -0.07 0.00 1.34 0.00 0.00 72.50 71.71 1ncu s THR 23 CO 0.16 0.56 0.57 -1.81 -0.54 0.00 0.00 174.62 173.56 1ncu s ASP 24 N -0.06 6.76 0.13 3.99 1.01 -0.48 -4.23 116.67 123.79 1ncu s ASP 24 Ca -0.05 1.05 -0.25 0.00 0.71 0.00 0.00 52.55 54.00 1ncu s ASP 24 Cb -0.14 -2.28 0.07 0.00 1.01 0.00 0.00 42.92 41.58 1ncu s ASP 24 CO 0.04 0.02 0.87 -0.83 0.21 0.00 0.00 175.17 175.49 1ncu s GLY 25 N -1.98 -0.31 -0.28 0.21 0.00 -1.26 -2.11 107.32 101.59 1ncu s GLY 25 Ca 0.42 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 45.41 1ncu s GLY 25 CO 0.20 0.09 0.56 1.85 0.00 0.00 0.00 173.10 175.79 1ncu s GLU 26 N -3.38 0.51 0.00 2.90 2.56 -1.23 -4.22 118.70 115.84 1ncu s GLU 26 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 54.97 56.13 1ncu s GLU 26 Cb -0.02 0.46 0.00 0.00 2.00 0.00 0.00 34.13 36.57 1ncu s GLU 26 CO -0.01 -0.46 0.00 -0.35 -0.56 0.00 0.00 175.26 173.88 1ncu n PRO 27 N 5.42 -1.03 -1.41 4.30 -0.04 -1.26 -4.40 135.00 136.58 1ncu n PRO 27 Ca -0.05 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.85 1ncu n PRO 27 Cb 0.50 0.00 -0.07 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 -2.38 0.07 -1.45 0.52 0.31 -1.26 -4.71 118.33 109.42 1ncu n VAL 28 Ca 0.00 -0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 64.02 1ncu n VAL 28 Cb 0.00 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.06 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 -0.03 1.33 0.22 5.55 0.04 -1.26 -4.84 135.00 136.00 1ncu s PRO 29 Ca 0.85 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1ncu s PRO 29 Cb -1.18 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 31.51 1ncu s PRO 29 CO 0.54 -2.11 0.00 -2.37 0.04 0.00 0.00 177.00 173.10 1ncu n THR 30 N -3.74 0.00 -3.74 1.26 5.66 -0.82 -4.87 114.28 108.03 1ncu n THR 30 Ca 0.06 -1.04 -0.13 0.00 -3.05 0.00 0.00 64.05 59.89 1ncu n THR 30 Cb 0.58 0.22 -0.10 0.00 -1.55 0.00 0.00 70.33 69.47 1ncu n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ncu s VAL 31 N -1.81 0.01 -0.18 1.08 0.11 -1.26 -3.78 120.40 114.56 1ncu s VAL 31 Ca 0.00 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1ncu s VAL 31 Cb 0.00 -0.55 0.07 0.00 -1.53 0.00 0.00 36.38 34.37 1ncu s VAL 31 CO 0.00 -0.04 0.11 -0.89 -3.33 0.00 0.00 175.10 170.95 1ncu s THR 32 N -0.08 -0.12 -0.52 5.04 2.01 -1.19 -5.00 115.64 115.79 1ncu s THR 32 Ca -0.02 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.54 1ncu s THR 32 Cb -0.03 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.90 1ncu s THR 32 CO 0.01 -0.30 0.87 0.26 -0.69 0.00 0.00 174.62 174.77 1ncu s TRP 33 N 2.17 2.88 0.18 4.92 0.52 -1.26 -0.74 118.94 127.60 1ncu s TRP 33 Ca 0.03 -0.00 -0.18 0.00 0.02 0.00 0.00 56.10 55.96 1ncu s TRP 33 Cb -0.16 -3.91 0.04 0.00 -1.15 0.00 0.00 33.47 28.28 1ncu s TRP 33 CO -0.12 -1.21 0.53 -0.48 0.02 0.00 0.00 176.95 175.69 1ncu s LEU 34 N 3.63 -0.02 0.30 2.99 2.34 0.62 0.76 118.68 129.31 1ncu s LEU 34 Ca 0.29 -0.38 0.00 0.00 0.06 0.00 0.00 54.13 54.10 1ncu s LEU 34 Cb -0.13 2.22 0.00 0.00 -0.56 0.00 0.00 46.19 47.72 1ncu s LEU 34 CO 0.20 -1.03 0.00 -1.14 -1.06 0.00 0.00 176.35 173.32 1ncu n ARG 35 N -0.34 0.00 0.00 1.48 0.00 -1.26 -2.31 116.66 114.23 1ncu n ARG 35 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 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 -3.10 0.00 -1.06 -0.14 4.81 -1.26 -4.88 118.16 112.52 1ncu n LYS 36 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1ncu n LYS 36 Cb 0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 35.03 34.62 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 0.36 3.66 5.54 3.14 0.00 -1.26 -4.89 105.19 111.75 1ncu n GLY 37 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1ncu n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ncu n GLN 38 N 1.25 0.00 -3.18 1.61 1.13 -1.26 -4.71 117.38 112.23 1ncu n GLN 38 Ca 0.35 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.32 1ncu n GLN 38 Cb 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.98 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1ncu n VAL 39 N 0.00 0.00 0.00 5.09 0.24 -1.26 -4.40 118.33 118.00 1ncu n VAL 39 Ca 0.00 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 1ncu n VAL 39 Cb 0.00 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 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 0.00 2.15 -4.50 1.34 4.32 0.23 -4.77 117.00 115.76 1ncu n LEU 40 Ca -0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 1ncu n LEU 40 Cb 0.40 0.00 -0.19 0.00 -1.62 0.00 0.00 43.42 42.02 1ncu n LEU 40 CO 0.20 0.36 2.10 -1.54 -1.22 0.00 0.00 177.39 177.28 1ncu n SER 41 N -2.22 -0.56 -3.21 -1.43 3.41 -1.25 -2.07 113.62 106.28 1ncu n SER 41 Ca 0.00 -0.33 -0.20 0.00 -0.26 0.00 0.00 58.87 58.08 1ncu n SER 41 Cb 0.37 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 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 6.46 0.00 0.10 6.66 -2.24 -1.25 -4.69 114.28 119.33 1ncu n THR 42 Ca 0.65 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.63 1ncu n THR 42 Cb 0.13 -0.23 0.68 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.40 0.00 0.00 3.42 0.87 -1.68 -3.41 113.55 112.35 1ncu h SER 43 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1ncu h SER 43 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1ncu h SER 43 CO 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.71 1ncu n ALA 44 N -2.20 0.00 -1.36 6.23 0.00 -1.26 -4.96 120.51 116.95 1ncu n ALA 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ncu n ALA 44 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -3.40 0.00 1.85 -1.26 -5.09 116.66 108.76 1ncu n ARG 45 Ca 0.00 -0.66 -0.21 0.00 -1.00 0.00 0.00 57.85 55.98 1ncu n ARG 45 Cb 0.00 -0.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.92 1ncu n ARG 45 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ncu s HIS 46 N 0.00 2.23 -0.34 2.89 3.76 -1.26 -3.52 115.29 119.05 1ncu s HIS 46 Ca 0.00 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1ncu s HIS 46 Cb 0.00 -2.17 0.14 0.00 1.11 0.00 0.00 32.58 31.66 1ncu s HIS 46 CO 0.00 -0.48 0.28 -1.14 -0.85 0.00 0.00 174.74 172.55 1ncu s GLN 47 N -4.32 0.48 0.28 1.40 2.00 -0.97 -3.81 119.66 114.72 1ncu s GLN 47 Ca 0.50 -0.80 0.07 0.00 -2.00 0.00 0.00 55.36 53.13 1ncu s GLN 47 Cb -0.05 -0.93 -0.03 0.00 0.80 0.00 0.00 33.01 32.80 1ncu s GLN 47 CO 0.30 -1.14 0.22 0.54 -0.50 0.00 0.00 175.29 174.71 1ncu s VAL 48 N 1.62 4.17 0.11 1.34 0.11 -1.26 -1.96 120.40 124.51 1ncu s VAL 48 Ca 0.15 -1.40 -0.14 0.00 -2.93 0.00 0.00 61.98 57.65 1ncu s VAL 48 Cb -0.17 -3.33 0.02 0.00 -1.53 0.00 0.00 36.38 31.37 1ncu s VAL 48 CO -0.13 -0.30 0.33 0.28 -3.33 0.00 0.00 175.10 171.95 1ncu s THR 49 N -2.19 0.09 -0.15 5.04 -1.32 -0.57 -4.88 115.64 111.66 1ncu s THR 49 Ca 0.35 -0.75 -0.12 0.00 -1.21 0.00 0.00 61.69 59.96 1ncu s THR 49 Cb -0.07 -1.19 0.04 0.00 -1.51 0.00 0.00 72.50 69.77 1ncu s THR 49 CO 0.25 -0.41 0.38 -0.89 -2.21 0.00 0.00 174.62 171.74 1ncu s THR 50 N -3.67 -0.01 0.00 5.08 2.01 -1.26 -1.89 115.64 115.90 1ncu s THR 50 Ca 0.03 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1ncu s THR 50 Cb 0.02 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1ncu s THR 50 CO -0.11 0.01 0.00 1.07 -0.69 0.00 0.00 174.62 174.90 1ncu n THR 51 N 3.17 0.00 0.00 -0.82 5.66 -0.86 -5.01 114.28 116.42 1ncu n THR 51 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 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 -0.68 1.09 4.01 -1.26 -4.43 118.16 116.89 1ncu n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ncu n LYS 52 Cb 0.00 -0.47 0.20 0.00 -0.51 0.00 0.00 35.03 34.25 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 0.00 0.68 -3.74 2.13 4.02 -1.26 -4.14 117.16 114.85 1ncu n TYR 53 Ca 0.00 -1.49 -0.12 0.00 -0.01 0.00 0.00 57.90 56.27 1ncu n TYR 53 Cb 0.00 -0.39 -0.13 0.00 -0.02 0.00 0.00 39.34 38.80 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 -3.20 0.21 0.44 -0.72 -2.85 -1.26 -0.43 119.74 111.92 1ncu s LYS 54 Ca 0.42 0.49 0.07 0.00 -1.00 0.00 0.00 55.97 55.95 1ncu s LYS 54 Cb 0.38 -0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1ncu s LYS 54 CO -0.02 -0.14 0.26 0.45 0.10 0.00 0.00 175.35 176.00 1ncu s SER 55 N 1.08 4.60 -0.17 0.03 0.15 -0.59 -2.03 113.70 116.77 1ncu s SER 55 Ca -0.08 -1.04 -0.10 0.00 0.70 0.00 0.00 55.95 55.43 1ncu s SER 55 Cb -0.09 -0.34 0.06 0.00 -1.71 0.00 0.00 66.02 63.93 1ncu s SER 55 CO -0.07 -0.66 0.42 0.42 1.20 0.00 0.00 173.24 174.55 1ncu s THR 56 N -2.60 -0.02 -0.16 6.45 -4.23 -0.79 -1.43 115.64 112.86 1ncu s THR 56 Ca 0.41 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1ncu s THR 56 Cb 0.01 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.26 1ncu s THR 56 CO 0.23 0.03 -0.17 0.12 -0.54 0.00 0.00 174.62 174.29 1ncu s PHE 57 N 1.18 2.47 -0.13 3.99 5.36 0.02 -1.52 117.98 129.35 1ncu s PHE 57 Ca -0.08 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.49 1ncu s PHE 57 Cb -0.07 -1.75 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 1ncu s PHE 57 CO -0.10 -0.72 -0.13 -1.83 -1.46 0.00 0.00 175.22 170.98 1ncu s GLU 58 N 1.34 2.08 0.18 10.12 4.04 -0.83 0.12 118.70 135.75 1ncu s GLU 58 Ca 0.04 -0.48 -0.13 0.00 0.04 0.00 0.00 54.97 54.44 1ncu s GLU 58 Cb -0.13 -1.93 -0.07 0.00 0.02 0.00 0.00 34.13 32.02 1ncu s GLU 58 CO -0.11 -0.21 0.56 0.42 -1.84 0.00 0.00 175.26 174.08 1ncu s ILE 59 N 1.44 4.87 -0.15 1.83 1.01 -1.18 -2.28 121.20 126.74 1ncu s ILE 59 Ca 0.03 0.72 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 1ncu s ILE 59 Cb -0.13 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.69 1ncu s ILE 59 CO -0.08 0.13 0.42 -0.44 0.00 0.00 0.00 174.94 174.96 1ncu s SER 60 N -1.94 -0.43 0.00 3.58 0.01 -1.23 -4.26 113.70 109.42 1ncu s SER 60 Ca 0.41 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1ncu s SER 60 Cb -0.14 0.84 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1ncu s SER 60 CO 0.20 -0.16 0.00 -0.24 0.41 0.00 0.00 173.24 173.45 1ncu n SER 61 N 2.79 -1.61 -4.29 2.44 2.88 -1.25 -4.48 113.62 110.10 1ncu n SER 61 Ca -0.13 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.06 1ncu n SER 61 Cb 0.57 -2.02 0.08 0.00 -0.75 0.00 0.00 64.21 62.10 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 -2.09 0.27 -2.46 2.46 3.14 -1.25 -4.80 118.33 113.59 1ncu n VAL 62 Ca 0.00 -0.32 -0.25 0.00 -2.96 0.00 0.00 64.34 60.81 1ncu n VAL 62 Cb 0.11 -0.43 0.11 0.00 -1.06 0.00 0.00 33.84 32.57 1ncu n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ncu s GLN 63 N -2.92 1.61 -0.37 1.45 -2.07 -1.26 -4.38 119.66 111.72 1ncu s GLN 63 Ca 0.53 -0.91 0.01 0.00 -1.82 0.00 0.00 55.36 53.16 1ncu s GLN 63 Cb -0.23 -2.25 0.37 0.00 -1.09 0.00 0.00 33.01 29.80 1ncu s GLN 63 CO 0.71 -1.54 1.82 0.00 -1.32 0.00 0.00 175.29 174.96 1ncu n ALA 64 N -2.96 5.06 -2.15 2.60 0.00 -1.26 -4.08 120.51 117.72 1ncu n ALA 64 Ca 0.14 -2.10 0.03 0.00 0.00 0.00 0.00 53.44 51.51 1ncu n ALA 64 Cb 0.60 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.69 1ncu n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ncu n SER 65 N -0.33 0.87 -0.45 0.00 7.64 -1.26 -4.78 113.62 115.30 1ncu n SER 65 Ca 0.40 -2.29 0.07 0.00 1.01 0.00 0.00 58.87 58.06 1ncu n SER 65 Cb 0.93 -0.30 0.04 0.00 -1.01 0.00 0.00 64.21 63.86 1ncu n SER 65 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ncu n ASP 66 N 0.03 1.87 -0.57 6.43 9.92 -1.26 -5.09 116.55 127.88 1ncu n ASP 66 Ca 0.06 -1.44 0.04 0.00 -0.53 0.00 0.00 54.79 52.93 1ncu n ASP 66 Cb 0.93 0.16 -0.01 0.00 -0.64 0.00 0.00 41.12 41.55 1ncu n ASP 66 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ncu n GLU 67 N 0.43 -0.56 -3.61 -1.24 1.02 -1.26 -4.61 120.64 110.81 1ncu n GLU 67 Ca 0.07 0.37 -0.29 0.00 -0.02 0.00 0.00 57.16 57.29 1ncu n GLU 67 Cb 0.31 -0.68 -0.12 0.00 -0.02 0.00 0.00 31.44 30.93 1ncu n GLU 67 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ncu s GLY 68 N -3.33 1.45 -0.46 0.62 0.00 -1.11 -4.30 107.32 100.19 1ncu s GLY 68 Ca 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 44.72 42.33 1ncu s GLY 68 CO 0.00 1.74 0.99 0.70 0.00 0.00 0.00 173.10 176.53 1ncu n ASN 69 N 3.50 -2.59 -4.86 1.64 3.02 -1.26 -3.42 115.26 111.29 1ncu n ASN 69 Ca 0.13 -3.19 -0.24 0.00 -0.03 0.00 0.00 54.58 51.24 1ncu n ASN 69 Cb 0.37 1.73 -0.03 0.00 -0.61 0.00 0.00 39.78 41.24 1ncu n ASN 69 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ncu s TYR 70 N 0.54 2.15 0.19 3.10 2.02 -0.36 -4.42 117.35 120.57 1ncu s TYR 70 Ca 0.29 -0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1ncu s TYR 70 Cb 0.24 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1ncu s TYR 70 CO -0.19 -0.25 0.29 -1.13 -1.57 0.00 0.00 175.55 172.70 1ncu n SER 71 N -1.60 -0.81 -3.42 2.29 3.41 -0.98 -1.46 113.62 111.05 1ncu n SER 71 Ca 0.00 -2.00 -0.17 0.00 -0.26 0.00 0.00 58.87 56.45 1ncu n SER 71 Cb 0.63 1.47 -0.10 0.00 -0.26 0.00 0.00 64.21 65.95 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 -2.62 -0.40 -0.66 -3.33 0.11 -0.41 -0.28 120.40 112.81 1ncu s VAL 72 Ca 0.15 -0.31 -0.22 0.00 -2.93 0.00 0.00 61.98 58.66 1ncu s VAL 72 Cb -0.01 -0.87 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1ncu s VAL 72 CO 0.11 -0.34 0.94 0.68 -3.33 0.00 0.00 175.10 173.16 1ncu s VAL 73 N 2.37 4.40 -0.03 2.04 -7.23 0.08 -1.12 120.40 120.91 1ncu s VAL 73 Ca 0.09 -0.49 -0.21 0.00 -1.81 0.00 0.00 61.98 59.56 1ncu s VAL 73 Cb -0.15 -4.67 -0.05 0.00 0.56 0.00 0.00 36.38 32.08 1ncu s VAL 73 CO -0.24 -1.43 0.61 -0.69 -0.31 0.00 0.00 175.10 173.04 1ncu s VAL 74 N 3.85 4.97 0.32 1.32 1.01 0.17 -3.14 120.40 128.90 1ncu s VAL 74 Ca 0.21 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.36 1ncu s VAL 74 Cb -0.17 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1ncu s VAL 74 CO 0.09 0.37 0.58 -1.83 0.00 0.00 0.00 175.10 174.31 1ncu s GLU 75 N 0.14 1.89 0.00 2.72 -1.05 -1.25 -0.60 118.70 120.56 1ncu s GLU 75 Ca 0.32 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 1ncu s GLU 75 Cb -0.18 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1ncu s GLU 75 CO 0.17 -0.82 0.00 -1.71 0.95 0.00 0.00 175.26 173.84 1ncu n ASN 76 N -1.06 1.09 -0.04 0.83 5.15 -0.98 -1.94 115.26 118.30 1ncu n ASN 76 Ca -0.03 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.95 1ncu n ASN 76 Cb 0.61 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.85 1ncu n ASN 76 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ncu n SER 77 N 0.00 -0.09 -0.51 1.20 3.41 -1.26 -3.45 113.62 112.92 1ncu n SER 77 Ca 0.00 0.17 -0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1ncu n SER 77 Cb 0.00 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 -4.13 0.00 -4.35 4.33 0.00 -1.26 -5.06 120.64 110.17 1ncu n GLU 78 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 57.16 56.83 1ncu n GLU 78 Cb 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 31.44 31.43 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 -0.06 2.54 -0.40 -1.84 0.00 -1.22 -4.68 107.32 101.65 1ncu s GLY 79 Ca 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 44.72 43.14 1ncu s GLY 79 CO 0.00 -2.03 1.20 0.58 0.00 0.00 0.00 173.10 172.86 1ncu n LYS 80 N -1.26 0.57 -2.43 2.90 -0.00 -1.25 -2.33 118.16 114.36 1ncu n LYS 80 Ca -0.06 -1.32 -0.24 0.00 -0.00 0.00 0.00 58.31 56.69 1ncu n LYS 80 Cb 0.66 -0.68 0.09 0.00 -0.00 0.00 0.00 35.03 35.10 1ncu n LYS 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1ncu s GLN 81 N 0.23 1.84 0.32 -1.58 0.74 0.24 -4.82 119.66 116.62 1ncu s GLN 81 Ca 0.23 -0.77 -0.04 0.00 0.05 0.00 0.00 55.36 54.84 1ncu s GLN 81 Cb 0.27 -2.26 0.02 0.00 1.10 0.00 0.00 33.01 32.13 1ncu s GLN 81 CO -0.14 -1.38 0.49 -0.85 -0.55 0.00 0.00 175.29 172.87 1ncu n GLU 82 N -2.87 0.71 -3.60 1.67 0.28 -1.26 0.45 120.64 116.01 1ncu n GLU 82 Ca 0.12 -2.44 -0.16 0.00 -0.16 0.00 0.00 57.16 54.53 1ncu n GLU 82 Cb 0.60 2.45 -0.14 0.00 1.43 0.00 0.00 31.44 35.78 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 -2.54 -0.37 0.10 -1.84 0.00 -0.27 -4.90 121.76 111.94 1ncu s ALA 83 Ca 0.24 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 1ncu s ALA 83 Cb -0.02 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1ncu s ALA 83 CO 0.17 -0.81 0.33 -2.00 0.00 0.00 0.00 175.76 173.45 1ncu s GLU 84 N 2.36 3.59 0.22 0.00 2.56 -1.26 -1.28 118.70 124.88 1ncu s GLU 84 Ca 0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 54.97 54.77 1ncu s GLU 84 Cb -0.13 -2.94 0.04 0.00 2.00 0.00 0.00 34.13 33.10 1ncu s GLU 84 CO -0.09 0.53 0.57 1.97 -0.56 0.00 0.00 175.26 177.68 1ncu n PHE 85 N 0.37 -1.65 -4.02 5.30 1.16 -0.54 -4.97 117.46 113.12 1ncu n PHE 85 Ca -0.05 -1.10 -0.11 0.00 -1.87 0.00 0.00 57.45 54.32 1ncu n PHE 85 Cb 0.52 0.55 -0.12 0.00 -1.61 0.00 0.00 39.48 38.82 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 -2.36 0.29 -0.38 1.97 -4.23 -1.26 -1.22 115.64 108.45 1ncu s THR 86 Ca 0.12 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1ncu s THR 86 Cb -0.03 -0.38 0.12 0.00 1.34 0.00 0.00 72.50 73.55 1ncu s THR 86 CO 0.06 -0.36 0.18 -0.76 -0.54 0.00 0.00 174.62 173.20 1ncu s LEU 87 N -1.27 2.43 0.56 4.79 1.02 -1.22 -2.71 118.68 122.27 1ncu s LEU 87 Ca -0.11 -2.21 -0.07 0.00 0.02 0.00 0.00 54.13 51.77 1ncu s LEU 87 Cb -0.08 -0.93 -0.02 0.00 0.02 0.00 0.00 46.19 45.17 1ncu s LEU 87 CO -0.00 -0.33 0.89 -0.89 0.02 0.00 0.00 176.35 176.04 1ncu s THR 88 N 0.90 4.37 -0.28 5.49 2.01 -1.21 -2.77 115.64 124.16 1ncu s THR 88 Ca 0.15 0.28 0.20 0.00 0.31 0.00 0.00 61.69 62.63 1ncu s THR 88 Cb -0.22 -3.71 0.49 0.00 0.01 0.00 0.00 72.50 69.08 1ncu s THR 88 CO -0.09 -0.77 1.09 2.30 -0.69 0.00 0.00 174.62 176.46 1ncu n ILE 89 N -2.51 1.37 -3.50 1.82 -0.00 -1.10 -1.62 119.36 113.82 1ncu n ILE 89 Ca 0.03 -3.13 -0.17 0.00 -0.00 0.00 0.00 62.75 59.48 1ncu n ILE 89 Cb 0.56 0.87 -0.05 0.00 -0.00 0.00 0.00 39.64 41.02 1ncu n ILE 89 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1ncu s GLN 90 N -3.65 1.09 0.00 6.28 2.00 0.39 -4.04 119.66 121.73 1ncu s GLN 90 Ca 0.30 0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.79 1ncu s GLN 90 Cb 0.36 0.51 0.00 0.00 0.80 0.00 0.00 33.01 34.68 1ncu s GLN 90 CO -0.02 -0.37 0.29 1.17 -0.50 0.00 0.00 175.29 175.87