#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 2.02 -3.14 -1.46 4.01 -1.26 -4.93 118.16 113.40 1ncu n LYS -5 Ca 0.00 -1.53 -0.15 0.00 -0.51 0.00 0.00 58.31 56.12 1ncu n LYS -5 Cb 0.00 -1.45 0.05 0.00 -0.51 0.00 0.00 35.03 33.12 1ncu n LYS -5 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1ncu n THR -4 N 0.77 -1.84 -0.07 -0.18 -1.04 -1.26 -4.94 114.28 105.72 1ncu n THR -4 Ca 0.17 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.06 1ncu n THR -4 Cb 0.45 -3.04 -0.11 0.00 -1.82 0.00 0.00 70.33 65.81 1ncu n THR -4 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1ncu h THR -3 N -1.63 1.44 -1.81 12.58 2.02 -1.94 -3.50 112.91 120.08 1ncu h THR -3 Ca -0.36 -2.12 0.08 0.00 0.77 0.00 0.00 66.41 64.77 1ncu h THR -3 Cb 1.24 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 70.39 1ncu h THR -3 CO 0.36 0.49 0.25 0.00 0.37 0.00 0.00 175.52 176.99 1ncu n LEU -2 N -4.62 0.00 0.00 2.58 -0.00 -1.26 -5.09 117.00 108.61 1ncu n LEU -2 Ca -0.11 -0.43 0.00 0.00 -0.00 0.00 0.00 56.01 55.48 1ncu n LEU -2 Cb 0.43 0.93 0.00 0.00 -0.00 0.00 0.00 43.42 44.78 1ncu n LEU -2 CO 0.27 -0.14 0.00 0.00 -0.00 0.00 0.00 177.39 177.52 1ncu n ALA -1 N -2.20 0.00 -3.64 1.47 0.00 -1.26 -4.47 120.51 110.41 1ncu n ALA -1 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1ncu n ALA -1 Cb 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.71 2.78 0.36 0.00 0.00 -1.26 -4.17 121.76 116.77 1ncu s ALA 0 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.40 1ncu s ALA 0 Cb 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 1ncu s ALA 0 CO 0.00 -1.06 0.01 -0.98 0.00 0.00 0.00 175.76 173.73 1ncu s ARG 1 N 1.30 1.81 -0.10 0.00 1.70 -1.14 -2.63 118.95 119.89 1ncu s ARG 1 Ca -0.03 -2.00 -0.00 0.00 -0.47 0.00 0.00 55.73 53.23 1ncu s ARG 1 Cb -0.18 -1.34 -0.02 0.00 -0.57 0.00 0.00 34.95 32.83 1ncu s ARG 1 CO -0.02 -0.07 -0.09 0.42 -1.08 0.00 0.00 175.30 174.45 1ncu s ILE 2 N -2.93 3.45 -0.09 4.99 1.01 -1.26 -2.91 121.20 123.47 1ncu s ILE 2 Ca 0.35 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 1ncu s ILE 2 Cb 0.08 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1ncu s ILE 2 CO 0.17 0.55 -0.17 -0.11 0.00 0.00 0.00 174.94 175.37 1ncu n LEU 3 N 2.92 0.99 -3.58 2.97 0.00 -0.38 -4.79 117.00 115.12 1ncu n LEU 3 Ca -0.18 0.17 -0.32 0.00 0.00 0.00 0.00 56.01 55.68 1ncu n LEU 3 Cb 0.53 -0.60 -0.05 0.00 0.00 0.00 0.00 43.42 43.29 1ncu n LEU 3 CO 0.29 -0.39 0.42 0.41 0.00 0.00 0.00 177.39 178.12 1ncu n THR 4 N -3.50 3.35 -0.75 1.96 -1.04 -1.19 -4.94 114.28 108.17 1ncu n THR 4 Ca -0.07 -5.47 -0.29 0.00 -2.04 0.00 0.00 64.05 56.18 1ncu n THR 4 Cb 0.26 -2.06 0.11 0.00 -1.82 0.00 0.00 70.33 66.81 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 0.93 -1.12 -3.27 -2.82 2.85 -1.26 -2.93 118.16 110.54 1ncu n LYS 5 Ca 0.29 -0.32 -0.33 0.00 -1.05 0.00 0.00 58.31 56.90 1ncu n LYS 5 Cb 0.38 -1.38 -0.06 0.00 -0.65 0.00 0.00 35.03 33.33 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 -2.88 3.94 0.77 -1.58 0.04 -1.22 -4.58 135.00 129.49 1ncu s PRO 6 Ca 0.42 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 1ncu s PRO 6 Cb -0.02 -2.61 0.14 0.00 0.04 0.00 0.00 34.50 32.05 1ncu s PRO 6 CO 0.55 0.28 1.06 1.03 0.04 0.00 0.00 177.00 179.96 1ncu s ARG 7 N -2.72 1.45 0.00 4.56 1.81 -1.26 -4.75 118.95 118.04 1ncu s ARG 7 Ca 0.49 -1.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.49 1ncu s ARG 7 Cb -0.12 -2.24 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 1ncu s ARG 7 CO 0.19 -1.66 0.00 0.43 -0.68 0.00 0.00 175.30 173.59 1ncu n SER 8 N -3.02 0.00 -3.69 0.23 7.64 -1.26 -4.73 113.62 108.79 1ncu n SER 8 Ca 0.15 -0.95 0.03 0.00 1.01 0.00 0.00 58.87 59.12 1ncu n SER 8 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 -2.02 0.18 -0.18 1.43 1.75 -0.84 -4.93 119.30 114.70 1ncu s MET 9 Ca 0.00 -0.10 -0.09 0.00 -1.25 0.00 0.00 55.69 54.25 1ncu s MET 9 Cb 0.00 0.06 0.06 0.00 2.84 0.00 0.00 34.83 37.79 1ncu s MET 9 CO 0.00 -0.08 0.41 0.99 -0.65 0.00 0.00 175.02 175.69 1ncu s THR 10 N -2.12 -0.14 0.27 10.11 2.01 -1.26 -2.38 115.64 122.13 1ncu s THR 10 Ca 0.20 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.36 1ncu s THR 10 Cb 0.04 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1ncu s THR 10 CO -0.04 0.04 0.18 1.33 -0.69 0.00 0.00 174.62 175.44 1ncu n VAL 11 N 4.48 0.00 0.09 3.82 0.24 -0.65 -4.91 118.33 121.39 1ncu n VAL 11 Ca -0.20 -1.86 0.09 0.00 -2.04 0.00 0.00 64.34 60.33 1ncu n VAL 11 Cb 0.54 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.56 0.97 0.00 6.34 9.36 -1.26 -1.10 117.16 130.91 1ncu n TYR 12 Ca 0.03 0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.54 1ncu n TYR 12 Cb 0.47 -0.99 0.00 0.00 -0.63 0.00 0.00 39.34 38.19 1ncu n TYR 12 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1ncu n GLU 13 N -2.72 0.00 -2.55 2.98 0.28 -1.26 -3.43 120.64 113.93 1ncu n GLU 13 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.73 1ncu n GLU 13 Cb 0.61 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.48 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 5.47 0.00 -1.84 0.00 -1.26 -4.49 105.19 103.07 1ncu n GLY 14 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.40 0.00 0.00 1.61 -0.58 -1.26 -3.42 120.64 116.59 1ncu n GLU 15 Ca 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1ncu n GLU 15 Cb 0.65 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 31.02 1ncu n GLU 15 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ncu n SER 16 N -0.00 0.00 -4.69 1.62 2.88 -1.18 -4.53 113.62 107.72 1ncu n SER 16 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1ncu n SER 16 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1ncu n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ncu s ALA 17 N 0.00 3.48 0.03 -1.46 0.00 -0.96 -4.89 121.76 117.95 1ncu s ALA 17 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1ncu s ALA 17 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1ncu s ALA 17 CO 0.00 -0.32 0.11 1.03 0.00 0.00 0.00 175.76 176.57 1ncu s ARG 18 N 1.36 3.10 0.03 0.00 0.52 -1.26 -1.87 118.95 120.84 1ncu s ARG 18 Ca 0.30 -0.52 -0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1ncu s ARG 18 Cb -0.16 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1ncu s ARG 18 CO 0.12 0.62 -0.03 -0.06 0.02 0.00 0.00 175.30 175.97 1ncu s PHE 19 N -1.30 0.40 -0.18 -0.53 0.08 0.68 -4.88 117.98 112.25 1ncu s PHE 19 Ca 0.27 -0.74 -0.09 0.00 0.12 0.00 0.00 56.93 56.49 1ncu s PHE 19 Cb -0.12 -0.29 0.07 0.00 -0.57 0.00 0.00 43.02 42.11 1ncu s PHE 19 CO 0.18 -0.25 0.41 0.45 -0.10 0.00 0.00 175.22 175.91 1ncu s SER 20 N -2.05 -0.42 -0.21 1.36 0.15 -1.26 -1.04 113.70 110.22 1ncu s SER 20 Ca -0.06 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.52 1ncu s SER 20 Cb -0.03 0.93 0.04 0.00 -1.71 0.00 0.00 66.02 65.24 1ncu s SER 20 CO -0.04 -0.21 -0.16 0.00 1.20 0.00 0.00 173.24 174.03 1ncu s ASP 22 N 1.22 6.31 -0.10 0.00 1.01 -1.15 -1.37 116.67 122.59 1ncu s ASP 22 Ca -0.01 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 52.78 1ncu s ASP 22 Cb -0.16 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1ncu s ASP 22 CO -0.10 -0.97 -0.11 0.42 0.21 0.00 0.00 175.17 174.63 1ncu s THR 23 N 3.17 3.29 0.12 -1.27 -4.23 0.50 -1.25 115.64 115.97 1ncu s THR 23 Ca 0.24 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 1ncu s THR 23 Cb -0.15 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1ncu s THR 23 CO 0.17 0.55 0.28 -1.81 -0.54 0.00 0.00 174.62 173.28 1ncu s ASP 24 N -0.16 6.37 -0.02 3.99 1.01 -1.15 -4.29 116.67 122.43 1ncu s ASP 24 Ca 0.00 0.28 -0.30 0.00 0.71 0.00 0.00 52.55 53.25 1ncu s ASP 24 Cb -0.13 -1.96 0.11 0.00 1.01 0.00 0.00 42.92 41.95 1ncu s ASP 24 CO 0.03 0.08 1.30 -0.83 0.21 0.00 0.00 175.17 175.97 1ncu s GLY 25 N -2.86 -0.32 -0.02 0.21 0.00 -1.26 -2.87 107.32 100.20 1ncu s GLY 25 Ca 0.36 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.57 1ncu s GLY 25 CO 0.28 2.20 -0.07 1.85 0.00 0.00 0.00 173.10 177.37 1ncu s GLU 26 N -2.22 0.72 0.14 2.90 -6.30 -1.26 -4.06 118.70 108.62 1ncu s GLU 26 Ca 0.20 -0.21 -0.02 0.00 -2.50 0.00 0.00 54.97 52.43 1ncu s GLU 26 Cb 0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 34.13 33.40 1ncu s GLU 26 CO -0.03 0.07 1.33 -1.00 0.02 0.00 0.00 175.26 175.65 1ncu h PRO 27 N 6.42 0.35 -3.14 4.30 0.13 -1.98 -3.22 132.00 134.87 1ncu h PRO 27 Ca -0.33 -0.37 -0.25 0.00 -0.87 0.00 0.00 66.00 64.18 1ncu h PRO 27 Cb 1.17 0.11 -0.33 0.00 0.13 0.00 0.00 31.00 32.08 1ncu h PRO 27 CO 0.49 1.06 -0.58 0.08 -0.23 0.00 0.00 178.00 178.81 1ncu s VAL 28 N -3.27 -0.14 0.91 1.56 1.01 -1.26 -5.09 120.40 114.13 1ncu s VAL 28 Ca -0.05 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1ncu s VAL 28 Cb 0.09 -0.30 0.14 0.00 0.00 0.00 0.00 36.38 36.31 1ncu s VAL 28 CO 0.85 0.10 1.12 -2.16 0.00 0.00 0.00 175.10 175.01 1ncu s PRO 29 N 1.60 1.15 0.27 2.72 0.04 -1.26 -4.69 135.00 134.83 1ncu s PRO 29 Ca -0.05 0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.45 1ncu s PRO 29 Cb -0.12 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1ncu s PRO 29 CO -0.07 -2.22 0.09 -2.37 0.04 0.00 0.00 177.00 172.48 1ncu n THR 30 N -3.81 0.00 -3.82 1.26 5.66 -0.69 -4.88 114.28 108.01 1ncu n THR 30 Ca 0.06 -1.54 -0.12 0.00 -3.05 0.00 0.00 64.05 59.40 1ncu n THR 30 Cb 0.58 0.55 -0.10 0.00 -1.55 0.00 0.00 70.33 69.81 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 -2.53 0.05 -0.23 1.08 0.11 -1.26 -3.70 120.40 113.91 1ncu s VAL 31 Ca 0.13 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1ncu s VAL 31 Cb 0.01 -0.45 0.11 0.00 -1.53 0.00 0.00 36.38 34.51 1ncu s VAL 31 CO 0.09 -0.25 0.24 -0.89 -3.33 0.00 0.00 175.10 170.97 1ncu s THR 32 N -0.97 -0.34 -0.29 5.04 2.01 -1.16 -4.98 115.64 114.95 1ncu s THR 32 Ca -0.10 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1ncu s THR 32 Cb -0.05 -0.78 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 1ncu s THR 32 CO 0.02 -0.30 0.80 0.26 -0.69 0.00 0.00 174.62 174.70 1ncu s TRP 33 N 2.33 3.23 -0.08 4.92 0.52 -1.26 -0.37 118.94 128.22 1ncu s TRP 33 Ca 0.08 0.89 -0.24 0.00 0.02 0.00 0.00 56.10 56.85 1ncu s TRP 33 Cb -0.15 -3.18 0.05 0.00 -1.15 0.00 0.00 33.47 29.04 1ncu s TRP 33 CO -0.19 -0.52 0.56 -0.48 0.02 0.00 0.00 176.95 176.33 1ncu s LEU 34 N 2.93 -0.16 -0.46 2.99 2.34 -0.20 -0.45 118.68 125.67 1ncu s LEU 34 Ca 0.33 0.66 0.06 0.00 0.06 0.00 0.00 54.13 55.24 1ncu s LEU 34 Cb -0.14 2.07 0.30 0.00 -0.56 0.00 0.00 46.19 47.86 1ncu s LEU 34 CO 0.11 -0.47 1.09 -1.14 -1.06 0.00 0.00 176.35 174.88 1ncu n ARG 35 N 1.46 0.91 -1.61 1.48 3.00 -1.26 -3.17 116.66 117.47 1ncu n ARG 35 Ca -0.18 -1.81 -0.14 0.00 -0.00 0.00 0.00 57.85 55.72 1ncu n ARG 35 Cb 0.56 -1.07 -0.05 0.00 0.00 0.00 0.00 32.46 31.90 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 0.67 -1.46 -2.61 -0.14 0.00 -1.26 -4.79 118.16 108.56 1ncu n LYS 36 Ca 0.06 0.81 -0.11 0.00 0.00 0.00 0.00 58.31 59.06 1ncu n LYS 36 Cb 0.69 -5.14 0.03 0.00 0.00 0.00 0.00 35.03 30.61 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 -0.38 2.84 2.04 3.14 0.00 -1.26 -5.08 105.19 106.49 1ncu n GLY 37 Ca -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.33 -5.59 -0.86 1.61 -0.06 -1.26 -4.62 117.38 106.27 1ncu n GLN 38 Ca 0.17 3.97 -0.40 0.00 -2.00 0.00 0.00 57.00 58.74 1ncu n GLN 38 Cb 0.80 -4.29 -0.08 0.00 -4.06 0.00 0.00 30.24 22.61 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 1.60 0.00 -0.27 1.69 0.24 -1.26 -4.72 118.33 115.60 1ncu n VAL 39 Ca 0.00 0.00 0.26 0.00 -2.04 0.00 0.00 64.34 62.56 1ncu n VAL 39 Cb 0.00 -0.33 0.60 0.00 -1.47 0.00 0.00 33.84 32.65 1ncu n VAL 39 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ncu h LEU 40 N 5.57 0.25 -7.65 1.34 4.07 -1.02 -3.34 115.31 114.53 1ncu h LEU 40 Ca -0.09 0.04 -0.41 0.00 0.08 0.00 0.00 57.88 57.50 1ncu h LEU 40 Cb 0.93 -0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.56 1ncu h LEU 40 CO 0.71 0.07 1.82 -1.54 -1.08 0.00 0.00 178.44 178.42 1ncu n SER 41 N -4.43 -0.60 -2.77 -0.43 3.41 -1.25 -2.76 113.62 104.80 1ncu n SER 41 Ca 0.22 -0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1ncu n SER 41 Cb 0.92 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 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 6.18 -0.17 -0.25 6.66 -2.24 -1.26 -4.72 114.28 118.49 1ncu n THR 42 Ca 0.64 -0.08 0.03 0.00 -2.27 0.00 0.00 64.05 62.37 1ncu n THR 42 Cb 0.08 -0.23 0.16 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.03 0.39 0.00 3.42 0.87 -1.64 -3.45 113.55 113.12 1ncu h SER 43 Ca -0.19 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1ncu h SER 43 Cb 0.42 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1ncu h SER 43 CO 0.24 0.20 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 1ncu n ALA 44 N -2.45 0.00 0.01 6.23 0.00 -1.26 -4.96 120.51 118.09 1ncu n ALA 44 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.61 1ncu n ALA 44 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1ncu n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ncu n ARG 45 N 0.00 0.43 -3.18 0.00 1.74 -1.26 -5.02 116.66 109.37 1ncu n ARG 45 Ca 0.00 -0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 56.82 1ncu n ARG 45 Cb 0.00 -1.19 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1ncu n ARG 45 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ncu s HIS 46 N -2.56 2.77 -0.31 -1.55 0.09 -1.26 -3.73 115.29 108.74 1ncu s HIS 46 Ca -0.03 -0.43 -0.00 0.00 -0.00 0.00 0.00 55.06 54.60 1ncu s HIS 46 Cb 0.06 -2.32 0.13 0.00 -0.00 0.00 0.00 32.58 30.45 1ncu s HIS 46 CO 0.36 -0.33 0.28 -1.14 -0.00 0.00 0.00 174.74 173.90 1ncu s GLN 47 N -4.29 0.39 0.42 1.40 -0.44 -1.18 -4.09 119.66 111.86 1ncu s GLN 47 Ca 0.53 -0.44 0.06 0.00 -2.50 0.00 0.00 55.36 53.01 1ncu s GLN 47 Cb -0.08 -0.80 0.01 0.00 -1.64 0.00 0.00 33.01 30.50 1ncu s GLN 47 CO 0.31 -1.08 0.58 0.54 0.50 0.00 0.00 175.29 176.15 1ncu s VAL 48 N 2.03 3.32 0.13 1.34 0.11 -1.26 -3.04 120.40 123.02 1ncu s VAL 48 Ca 0.12 -0.91 -0.13 0.00 -2.93 0.00 0.00 61.98 58.12 1ncu s VAL 48 Cb -0.15 -3.15 0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1ncu s VAL 48 CO -0.25 -0.07 0.35 0.28 -3.33 0.00 0.00 175.10 172.08 1ncu s THR 49 N -2.38 0.08 -0.09 5.04 -1.32 -0.42 -4.76 115.64 111.79 1ncu s THR 49 Ca 0.52 -0.89 -0.07 0.00 -1.21 0.00 0.00 61.69 60.04 1ncu s THR 49 Cb -0.10 -1.38 0.02 0.00 -1.51 0.00 0.00 72.50 69.53 1ncu s THR 49 CO 0.34 -0.37 0.22 0.42 -2.21 0.00 0.00 174.62 173.02 1ncu s THR 50 N -3.86 -0.00 0.00 5.08 -4.23 -1.26 -2.06 115.64 109.31 1ncu s THR 50 Ca 0.07 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1ncu s THR 50 Cb 0.02 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.54 1ncu s THR 50 CO -0.08 0.01 0.00 1.07 -0.54 0.00 0.00 174.62 175.07 1ncu n THR 51 N 3.10 0.00 0.00 3.99 5.66 -0.87 -5.01 114.28 121.16 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 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 -0.55 1.09 5.02 -1.26 -4.46 118.16 118.00 1ncu n LYS 52 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1ncu n LYS 52 Cb 0.00 -0.60 0.20 0.00 -0.02 0.00 0.00 35.03 34.61 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 -0.10 0.62 -3.74 2.13 4.02 -1.26 -4.45 117.16 114.37 1ncu n TYR 53 Ca 0.00 -1.32 -0.13 0.00 -0.01 0.00 0.00 57.90 56.44 1ncu n TYR 53 Cb 0.00 -0.34 -0.14 0.00 -0.02 0.00 0.00 39.34 38.84 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 -3.09 0.13 0.43 -0.72 -2.85 -1.26 -0.37 119.74 112.01 1ncu s LYS 54 Ca 0.40 0.43 0.07 0.00 -1.00 0.00 0.00 55.97 55.87 1ncu s LYS 54 Cb 0.36 -0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1ncu s LYS 54 CO 0.01 -0.16 0.28 0.45 0.10 0.00 0.00 175.35 176.03 1ncu s SER 55 N 1.20 4.70 -0.18 0.03 0.15 -0.47 -2.04 113.70 117.08 1ncu s SER 55 Ca -0.09 -0.97 -0.12 0.00 0.70 0.00 0.00 55.95 55.47 1ncu s SER 55 Cb -0.11 -0.41 0.06 0.00 -1.71 0.00 0.00 66.02 63.85 1ncu s SER 55 CO -0.07 -0.65 0.44 0.42 1.20 0.00 0.00 173.24 174.58 1ncu s THR 56 N -2.57 -0.02 -0.11 6.45 -4.23 -0.87 -1.40 115.64 112.90 1ncu s THR 56 Ca 0.43 0.06 0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1ncu s THR 56 Cb 0.00 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.20 1ncu s THR 56 CO 0.24 0.02 -0.21 0.12 -0.54 0.00 0.00 174.62 174.26 1ncu s PHE 57 N 1.05 2.40 -0.02 3.99 5.36 -0.21 -1.31 117.98 129.25 1ncu s PHE 57 Ca -0.07 -1.05 0.03 0.00 -0.96 0.00 0.00 56.93 54.88 1ncu s PHE 57 Cb -0.06 -1.63 -0.01 0.00 -0.34 0.00 0.00 43.02 40.98 1ncu s PHE 57 CO -0.09 -0.46 -0.11 -1.83 -1.46 0.00 0.00 175.22 171.26 1ncu s GLU 58 N 0.57 1.03 -0.02 10.12 4.04 -1.17 -0.23 118.70 133.04 1ncu s GLU 58 Ca -0.14 -0.40 0.06 0.00 0.04 0.00 0.00 54.97 54.52 1ncu s GLU 58 Cb -0.17 -0.97 -0.03 0.00 0.02 0.00 0.00 34.13 32.98 1ncu s GLU 58 CO 0.04 0.21 -0.19 0.42 -1.84 0.00 0.00 175.26 173.91 1ncu s ILE 59 N -0.11 2.69 0.00 1.83 1.01 -0.78 -3.12 121.20 122.71 1ncu s ILE 59 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1ncu s ILE 59 Cb -0.06 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1ncu s ILE 59 CO 0.00 0.54 0.23 -1.20 0.00 0.00 0.00 174.94 174.51 1ncu n SER 60 N 2.21 0.00 -3.64 3.58 7.64 -1.26 -2.27 113.62 119.88 1ncu n SER 60 Ca -0.17 -1.02 -0.07 0.00 1.01 0.00 0.00 58.87 58.62 1ncu n SER 60 Cb 0.52 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 1ncu n SER 60 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ncu s SER 61 N -0.02 -0.91 -0.28 6.43 0.01 -1.22 -4.36 113.70 113.35 1ncu s SER 61 Ca 0.00 1.48 -0.19 0.00 1.31 0.00 0.00 55.95 58.54 1ncu s SER 61 Cb 0.00 1.39 0.11 0.00 0.21 0.00 0.00 66.02 67.73 1ncu s SER 61 CO 0.00 -0.24 0.88 0.54 0.41 0.00 0.00 173.24 174.84 1ncu s VAL 62 N 1.50 0.00 0.00 3.43 0.11 -1.26 -4.18 120.40 120.00 1ncu s VAL 62 Ca -0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1ncu s VAL 62 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1ncu s VAL 62 CO -0.18 0.00 0.19 0.00 -3.33 0.00 0.00 175.10 171.78 1ncu n GLN 63 N 3.35 0.00 -0.99 1.54 6.02 -1.26 -4.60 117.38 121.45 1ncu n GLN 63 Ca -0.17 0.03 -0.01 0.00 -0.01 0.00 0.00 57.00 56.84 1ncu n GLN 63 Cb 0.57 -0.69 -0.00 0.00 1.02 0.00 0.00 30.24 31.14 1ncu n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ncu n ALA 64 N -2.07 -0.50 -2.80 -1.58 0.00 -1.26 -5.01 120.51 107.28 1ncu n ALA 64 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 1ncu n ALA 64 Cb 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 19.45 19.14 1ncu n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ncu n SER 65 N -0.11 1.11 -1.09 0.00 3.41 -1.26 -4.86 113.62 110.82 1ncu n SER 65 Ca -0.06 -2.10 0.08 0.00 -0.26 0.00 0.00 58.87 56.53 1ncu n SER 65 Cb 0.43 -0.31 0.26 0.00 -0.26 0.00 0.00 64.21 64.33 1ncu n SER 65 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ncu n ASP 66 N -0.69 3.85 0.00 4.04 9.92 -1.26 -5.05 116.55 127.36 1ncu n ASP 66 Ca 0.04 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.95 1ncu n ASP 66 Cb 0.81 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1ncu n ASP 66 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1ncu n GLU 67 N 0.65 0.00 0.00 -1.24 0.28 -1.26 -4.56 120.64 114.50 1ncu n GLU 67 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1ncu n GLU 67 Cb 0.70 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.57 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 0.00 0.00 3.65 -1.84 0.00 -1.25 -2.26 105.19 103.49 1ncu n GLY 68 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.03 6.52 0.06 1.61 -0.87 -1.26 0.30 114.94 121.27 1ncu s ASN 69 Ca 0.00 0.63 0.01 0.00 -1.57 0.00 0.00 52.86 51.93 1ncu s ASN 69 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 41.25 38.92 1ncu s ASN 69 CO 0.00 -0.19 -0.06 -0.31 -2.57 0.00 0.00 177.10 173.98 1ncu s TYR 70 N 1.72 0.63 0.11 2.20 2.02 -0.54 -4.80 117.35 118.68 1ncu s TYR 70 Ca 0.23 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1ncu s TYR 70 Cb -0.15 -0.39 -0.00 0.00 -0.40 0.00 0.00 41.96 41.01 1ncu s TYR 70 CO 0.09 -0.19 0.12 -1.13 -1.57 0.00 0.00 175.55 172.88 1ncu n SER 71 N 0.75 -0.33 -3.41 2.29 3.41 -1.19 -2.14 113.62 113.00 1ncu n SER 71 Ca -0.18 -1.63 -0.14 0.00 -0.26 0.00 0.00 58.87 56.67 1ncu n SER 71 Cb 0.58 0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 65.10 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 -2.49 -0.47 -0.66 -3.33 0.11 -0.80 -1.04 120.40 111.72 1ncu s VAL 72 Ca 0.10 -0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 58.79 1ncu s VAL 72 Cb 0.00 -0.79 0.08 0.00 -1.53 0.00 0.00 36.38 34.15 1ncu s VAL 72 CO 0.07 -0.20 0.92 0.68 -3.33 0.00 0.00 175.10 173.24 1ncu s VAL 73 N 2.43 4.46 -0.02 2.04 -7.23 0.50 -1.28 120.40 121.30 1ncu s VAL 73 Ca 0.10 -0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 59.48 1ncu s VAL 73 Cb -0.15 -4.65 -0.05 0.00 0.56 0.00 0.00 36.38 32.09 1ncu s VAL 73 CO -0.17 -1.39 0.57 -0.69 -0.31 0.00 0.00 175.10 173.11 1ncu s VAL 74 N 3.66 4.97 0.30 1.32 1.01 0.20 -2.99 120.40 128.86 1ncu s VAL 74 Ca 0.20 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.41 1ncu s VAL 74 Cb -0.18 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1ncu s VAL 74 CO 0.08 0.41 0.24 -1.83 0.00 0.00 0.00 175.10 174.00 1ncu s GLU 75 N -0.09 1.62 0.00 2.72 -1.05 -1.24 0.03 118.70 120.69 1ncu s GLU 75 Ca 0.30 -1.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 1ncu s GLU 75 Cb -0.18 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1ncu s GLU 75 CO 0.16 -0.59 0.00 0.27 0.95 0.00 0.00 175.26 176.05 1ncu n ASN 76 N -1.25 0.00 0.00 0.83 6.94 -1.01 -1.70 115.26 119.08 1ncu n ASN 76 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.65 1ncu n ASN 76 Cb 0.63 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.17 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 0.00 0.00 -0.61 0.53 3.41 -1.22 -3.76 113.62 111.97 1ncu n SER 77 Ca 0.00 0.34 -0.03 0.00 -0.26 0.00 0.00 58.87 58.93 1ncu n SER 77 Cb 0.00 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.38 0.00 -3.47 4.33 0.28 -1.26 -4.95 120.64 114.18 1ncu n GLU 78 Ca 0.02 -0.37 -0.12 0.00 -0.16 0.00 0.00 57.16 56.53 1ncu n GLU 78 Cb 0.05 0.35 -0.03 0.00 1.43 0.00 0.00 31.44 33.23 1ncu n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ncu n GLY 79 N 0.00 2.60 2.68 -1.84 0.00 -1.25 -4.71 105.19 102.69 1ncu n GLY 79 Ca -0.10 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 1ncu n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ncu n LYS 80 N -0.45 0.35 -2.37 1.61 -0.00 -1.26 -2.39 118.16 113.65 1ncu n LYS 80 Ca 0.02 -1.01 -0.24 0.00 -0.00 0.00 0.00 58.31 57.07 1ncu n LYS 80 Cb 0.45 -0.47 0.08 0.00 -0.00 0.00 0.00 35.03 35.09 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 0.18 2.01 0.30 -1.58 0.74 0.10 -4.80 119.66 116.61 1ncu s GLN 81 Ca 0.24 -0.60 -0.08 0.00 0.05 0.00 0.00 55.36 54.96 1ncu s GLN 81 Cb 0.26 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 32.11 1ncu s GLN 81 CO -0.15 -1.27 0.49 -1.83 -0.55 0.00 0.00 175.29 171.98 1ncu s GLU 82 N -5.16 1.74 0.13 1.67 -1.05 -1.26 0.60 118.70 115.37 1ncu s GLU 82 Ca 0.62 -1.50 0.05 0.00 -0.15 0.00 0.00 54.97 54.00 1ncu s GLU 82 Cb -0.09 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1ncu s GLU 82 CO 0.44 -0.73 -0.13 0.00 0.95 0.00 0.00 175.26 175.79 1ncu s ALA 83 N -3.47 1.49 -0.01 -0.84 0.00 -0.41 -4.90 121.76 113.63 1ncu s ALA 83 Ca 0.26 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1ncu s ALA 83 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1ncu s ALA 83 CO 0.14 0.03 -0.05 -2.00 0.00 0.00 0.00 175.76 173.88 1ncu s GLU 84 N -3.06 0.49 0.25 0.00 2.12 -1.26 -1.91 118.70 115.33 1ncu s GLU 84 Ca 0.12 -0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 1ncu s GLU 84 Cb -0.02 -0.50 0.03 0.00 0.26 0.00 0.00 34.13 33.90 1ncu s GLU 84 CO 0.02 0.07 0.44 1.97 -0.54 0.00 0.00 175.26 177.22 1ncu n PHE 85 N 3.22 -1.60 -3.66 5.30 1.16 -0.91 -4.91 117.46 116.07 1ncu n PHE 85 Ca -0.16 -1.34 -0.14 0.00 -1.87 0.00 0.00 57.45 53.93 1ncu n PHE 85 Cb 0.56 0.51 -0.14 0.00 -1.61 0.00 0.00 39.48 38.81 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 -2.52 -0.38 -0.41 1.97 -4.23 -1.26 -1.46 115.64 107.35 1ncu s THR 86 Ca 0.14 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.85 1ncu s THR 86 Cb -0.02 -0.42 0.08 0.00 1.34 0.00 0.00 72.50 73.48 1ncu s THR 86 CO 0.10 0.11 0.24 -0.76 -0.54 0.00 0.00 174.62 173.77 1ncu s LEU 87 N 2.39 5.09 0.60 4.79 1.02 0.88 -1.98 118.68 131.47 1ncu s LEU 87 Ca 0.02 -1.55 -0.03 0.00 0.02 0.00 0.00 54.13 52.60 1ncu s LEU 87 Cb -0.12 -1.95 0.04 0.00 0.02 0.00 0.00 46.19 44.17 1ncu s LEU 87 CO -0.08 -0.52 0.87 -0.89 0.02 0.00 0.00 176.35 175.75 1ncu s THR 88 N 1.38 2.77 -0.45 5.49 2.01 -1.00 -3.89 115.64 121.95 1ncu s THR 88 Ca 0.03 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1ncu s THR 88 Cb -0.23 -3.11 0.19 0.00 0.01 0.00 0.00 72.50 69.37 1ncu s THR 88 CO 0.01 -0.09 0.51 2.30 -0.69 0.00 0.00 174.62 176.66 1ncu n ILE 89 N -2.57 -0.72 0.00 1.82 -6.64 -0.96 -1.64 119.36 108.65 1ncu n ILE 89 Ca 0.07 -2.61 0.00 0.00 -1.77 0.00 0.00 62.75 58.44 1ncu n ILE 89 Cb 0.59 -0.67 0.00 0.00 -1.44 0.00 0.00 39.64 38.13 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 2.65 0.77 0.00 6.28 1.13 -0.26 -4.64 117.38 123.32 1ncu n GLN 90 Ca 0.24 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.33 1ncu n GLN 90 Cb 0.52 0.00 0.18 0.00 0.11 0.00 0.00 30.24 31.05 1ncu n GLN 90 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25