#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 1.10 0.00 -1.46 0.00 -1.26 -4.64 118.16 111.90 1ncu n LYS -5 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1ncu n LYS -5 Cb 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 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 -0.57 0.00 0.00 0.58 -2.24 -1.26 -5.01 114.28 105.78 1ncu n THR -4 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1ncu n THR -4 Cb 0.08 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.27 0.00 -3.22 4.28 5.66 -1.26 -5.12 114.28 114.35 1ncu n THR -3 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1ncu n THR -3 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1ncu n THR -3 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1ncu s LEU -2 N -0.47 3.33 0.00 1.09 0.20 -1.26 -5.07 118.68 116.50 1ncu s LEU -2 Ca 0.00 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.12 1ncu s LEU -2 Cb 0.00 -2.06 0.00 0.00 -0.43 0.00 0.00 46.19 43.70 1ncu s LEU -2 CO 0.00 -0.96 0.00 0.00 -0.29 0.00 0.00 176.35 175.10 1ncu n ALA -1 N -1.91 0.00 -3.65 5.97 0.00 -1.26 -4.28 120.51 115.38 1ncu n ALA -1 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 1ncu n ALA -1 Cb 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.69 -0.97 0.05 0.00 0.00 -1.26 -3.09 121.76 113.81 1ncu s ALA 0 Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.29 1ncu s ALA 0 Cb 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1ncu s ALA 0 CO 0.00 -0.73 -0.07 -0.98 0.00 0.00 0.00 175.76 173.97 1ncu s ARG 1 N 2.55 0.59 -0.19 0.00 1.70 -0.82 -3.83 118.95 118.95 1ncu s ARG 1 Ca -0.00 -0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 54.18 1ncu s ARG 1 Cb -0.12 -0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 33.98 1ncu s ARG 1 CO -0.12 0.03 0.48 0.42 -1.08 0.00 0.00 175.30 175.03 1ncu s ILE 2 N -1.96 5.14 -0.03 4.99 1.01 -1.26 -1.24 121.20 127.85 1ncu s ILE 2 Ca -0.05 0.88 0.12 0.00 0.00 0.00 0.00 60.65 61.60 1ncu s ILE 2 Cb -0.06 -3.81 -0.22 0.00 0.01 0.00 0.00 42.46 38.38 1ncu s ILE 2 CO -0.01 0.21 0.74 0.25 0.00 0.00 0.00 174.94 176.13 1ncu h LEU 3 N 7.76 0.00 -7.80 2.97 6.46 -1.42 -3.47 115.31 119.80 1ncu h LEU 3 Ca -0.35 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.25 1ncu h LEU 3 Cb 1.16 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 40.87 1ncu h LEU 3 CO 0.73 0.97 -0.57 -0.89 -0.62 0.00 0.00 178.44 178.06 1ncu s THR 4 N -2.63 0.08 0.42 1.05 2.01 -0.77 -4.94 115.64 110.86 1ncu s THR 4 Ca -0.04 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1ncu s THR 4 Cb 0.08 -0.34 -0.07 0.00 0.01 0.00 0.00 72.50 72.18 1ncu s THR 4 CO 0.82 -0.37 0.04 -0.54 -0.69 0.00 0.00 174.62 173.88 1ncu s LYS 5 N -1.21 2.03 0.27 4.92 3.01 -1.26 -1.24 119.74 126.25 1ncu s LYS 5 Ca -0.13 -2.11 -0.14 0.00 -1.01 0.00 0.00 55.97 52.58 1ncu s LYS 5 Cb -0.07 -1.68 -0.08 0.00 -1.01 0.00 0.00 37.83 34.98 1ncu s LYS 5 CO 0.01 -0.10 0.67 -1.25 0.51 0.00 0.00 175.35 175.18 1ncu s PRO 6 N -3.76 3.97 0.79 -1.68 0.04 -1.22 -4.55 135.00 128.58 1ncu s PRO 6 Ca 0.33 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 61.89 1ncu s PRO 6 Cb 0.08 -2.58 0.16 0.00 0.04 0.00 0.00 34.50 32.20 1ncu s PRO 6 CO 0.17 0.25 1.08 1.03 0.04 0.00 0.00 177.00 179.58 1ncu s ARG 7 N -2.75 1.34 0.33 4.56 0.52 -1.26 -4.62 118.95 117.08 1ncu s ARG 7 Ca 0.50 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1ncu s ARG 7 Cb -0.12 -2.22 0.04 0.00 0.52 0.00 0.00 34.95 33.17 1ncu s ARG 7 CO 0.19 -1.74 0.34 0.43 0.02 0.00 0.00 175.30 174.54 1ncu n SER 8 N -3.07 1.73 -3.65 0.23 7.64 -1.26 -4.74 113.62 110.49 1ncu n SER 8 Ca 0.16 -2.04 0.01 0.00 1.01 0.00 0.00 58.87 58.00 1ncu n SER 8 Cb 0.60 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -3.43 0.62 -0.18 1.43 1.75 -0.88 -4.97 119.30 113.65 1ncu s MET 9 Ca 0.26 -0.38 -0.10 0.00 -1.25 0.00 0.00 55.69 54.22 1ncu s MET 9 Cb -0.02 0.19 0.06 0.00 2.84 0.00 0.00 34.83 37.90 1ncu s MET 9 CO 0.16 -0.29 0.44 0.99 -0.65 0.00 0.00 175.02 175.67 1ncu s THR 10 N -2.33 -0.02 0.00 10.11 2.01 -1.26 -2.74 115.64 121.40 1ncu s THR 10 Ca 0.20 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1ncu s THR 10 Cb 0.01 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.88 1ncu s THR 10 CO -0.01 0.03 0.00 1.33 -0.69 0.00 0.00 174.62 175.29 1ncu n VAL 11 N 4.26 0.00 -0.07 3.82 0.24 -0.60 -4.93 118.33 121.05 1ncu n VAL 11 Ca -0.23 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.00 1ncu n VAL 11 Cb 0.56 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.84 117.16 125.59 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 -0.71 0.00 0.00 0.49 0.00 0.00 39.34 39.12 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 -2.53 0.00 -2.24 2.98 0.28 -1.26 -2.98 120.64 114.89 1ncu n GLU 13 Ca -0.23 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.39 1ncu n GLU 13 Cb 0.96 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.86 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 5.76 0.00 -1.84 0.00 -1.25 -4.72 105.19 103.13 1ncu n GLY 14 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.38 0.00 -2.58 1.61 -0.58 -1.26 -4.04 120.64 113.41 1ncu n GLU 15 Ca 0.49 0.55 -0.04 0.00 -0.42 0.00 0.00 57.16 57.75 1ncu n GLU 15 Cb 0.29 -1.19 0.11 0.00 -0.57 0.00 0.00 31.44 30.07 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 -1.58 -1.48 -4.43 1.62 3.41 -1.26 -4.96 113.62 104.94 1ncu n SER 16 Ca 0.00 -2.16 -0.44 0.00 -0.26 0.00 0.00 58.87 56.01 1ncu n SER 16 Cb 0.00 0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.14 3.25 0.16 7.33 0.00 -1.26 -5.02 121.76 126.35 1ncu s ALA 17 Ca 0.12 -2.12 0.05 0.00 0.00 0.00 0.00 51.96 50.00 1ncu s ALA 17 Cb 0.37 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1ncu s ALA 17 CO -0.10 -2.70 0.15 0.50 0.00 0.00 0.00 175.76 173.61 1ncu s ARG 18 N 3.42 2.96 0.14 0.00 3.52 -1.26 -3.37 118.95 124.37 1ncu s ARG 18 Ca 0.21 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.87 1ncu s ARG 18 Cb -0.17 -2.69 0.01 0.00 -1.56 0.00 0.00 34.95 30.54 1ncu s ARG 18 CO 0.05 0.49 0.31 -0.06 -0.81 0.00 0.00 175.30 175.29 1ncu s PHE 19 N -1.74 0.15 -0.18 5.12 0.08 0.11 -4.85 117.98 116.68 1ncu s PHE 19 Ca 0.31 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.72 1ncu s PHE 19 Cb -0.10 0.06 0.06 0.00 -0.57 0.00 0.00 43.02 42.47 1ncu s PHE 19 CO 0.24 -0.70 0.45 0.45 -0.10 0.00 0.00 175.22 175.56 1ncu s SER 20 N -2.90 -0.55 -0.14 1.36 0.15 -1.26 -1.15 113.70 109.21 1ncu s SER 20 Ca 0.10 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.73 1ncu s SER 20 Cb 0.03 0.88 0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1ncu s SER 20 CO -0.05 -0.19 -0.14 0.00 1.20 0.00 0.00 173.24 174.06 1ncu s ASP 22 N 1.39 6.61 -0.15 0.00 1.01 -0.37 -1.67 116.67 123.48 1ncu s ASP 22 Ca 0.02 0.83 -0.11 0.00 0.71 0.00 0.00 52.55 54.00 1ncu s ASP 22 Cb -0.13 -2.19 0.05 0.00 1.01 0.00 0.00 42.92 41.66 1ncu s ASP 22 CO -0.08 0.01 0.38 0.42 0.21 0.00 0.00 175.17 176.11 1ncu s THR 23 N -1.69 -0.01 -0.04 -1.27 -4.23 -0.38 -1.03 115.64 106.99 1ncu s THR 23 Ca 0.43 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 1ncu s THR 23 Cb -0.12 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1ncu s THR 23 CO 0.21 0.02 0.12 -1.81 -0.54 0.00 0.00 174.62 172.63 1ncu s ASP 24 N 0.79 6.05 -0.03 3.99 1.01 -0.37 -4.39 116.67 123.72 1ncu s ASP 24 Ca -0.05 0.29 -0.30 0.00 0.71 0.00 0.00 52.55 53.20 1ncu s ASP 24 Cb -0.06 -1.85 0.11 0.00 1.01 0.00 0.00 42.92 42.13 1ncu s ASP 24 CO -0.06 0.31 1.06 -0.83 0.21 0.00 0.00 175.17 175.86 1ncu s GLY 25 N -1.59 -0.36 -0.05 0.21 0.00 -1.26 -1.95 107.32 102.32 1ncu s GLY 25 Ca 0.22 0.94 0.04 0.00 0.00 0.00 0.00 44.72 45.92 1ncu s GLY 25 CO 0.13 0.28 -0.16 1.85 0.00 0.00 0.00 173.10 175.20 1ncu s GLU 26 N -2.84 1.77 0.08 2.90 2.56 -1.18 -3.69 118.70 118.31 1ncu s GLU 26 Ca 0.09 -0.58 -0.14 0.00 0.00 0.00 0.00 54.97 54.34 1ncu s GLU 26 Cb -0.00 -1.52 -0.16 0.00 2.00 0.00 0.00 34.13 34.44 1ncu s GLU 26 CO -0.05 0.21 1.28 -1.00 -0.56 0.00 0.00 175.26 175.14 1ncu h PRO 27 N 6.37 0.71 -3.44 4.30 0.13 -1.91 -3.37 132.00 134.79 1ncu h PRO 27 Ca -0.32 -0.58 -0.31 0.00 -0.87 0.00 0.00 66.00 63.92 1ncu h PRO 27 Cb 1.18 0.12 -0.35 0.00 0.13 0.00 0.00 31.00 32.08 1ncu h PRO 27 CO 0.48 1.19 -0.72 0.08 -0.23 0.00 0.00 178.00 178.79 1ncu s VAL 28 N -3.73 -0.08 0.88 1.56 1.01 -1.24 -5.08 120.40 113.71 1ncu s VAL 28 Ca -0.11 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1ncu s VAL 28 Cb 0.08 -0.11 0.12 0.00 0.00 0.00 0.00 36.38 36.46 1ncu s VAL 28 CO 0.88 0.11 1.10 -2.16 0.00 0.00 0.00 175.10 175.03 1ncu s PRO 29 N 1.38 1.42 0.25 2.72 0.04 -1.26 -4.82 135.00 134.73 1ncu s PRO 29 Ca -0.05 0.66 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1ncu s PRO 29 Cb -0.13 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ncu s PRO 29 CO -0.03 -2.09 0.05 -2.37 0.04 0.00 0.00 177.00 172.60 1ncu n THR 30 N -3.75 0.00 -3.75 1.26 5.66 -0.84 -4.83 114.28 108.03 1ncu n THR 30 Ca 0.07 -1.31 -0.13 0.00 -3.05 0.00 0.00 64.05 59.63 1ncu n THR 30 Cb 0.56 0.38 -0.10 0.00 -1.55 0.00 0.00 70.33 69.62 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 -2.21 0.02 -0.18 1.08 0.11 -1.26 -3.64 120.40 114.31 1ncu s VAL 31 Ca 0.06 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1ncu s VAL 31 Cb 0.00 -0.54 0.07 0.00 -1.53 0.00 0.00 36.38 34.38 1ncu s VAL 31 CO 0.05 -0.07 0.13 -0.89 -3.33 0.00 0.00 175.10 170.99 1ncu s THR 32 N -0.25 -0.17 -0.29 5.04 2.01 -1.17 -4.97 115.64 115.84 1ncu s THR 32 Ca -0.04 -0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.58 1ncu s THR 32 Cb -0.03 -0.61 -0.00 0.00 0.01 0.00 0.00 72.50 71.86 1ncu s THR 32 CO 0.02 -0.26 0.75 0.26 -0.69 0.00 0.00 174.62 174.69 1ncu s TRP 33 N 2.20 3.23 0.07 4.92 0.52 -1.26 -0.46 118.94 128.16 1ncu s TRP 33 Ca 0.04 0.83 -0.18 0.00 0.02 0.00 0.00 56.10 56.81 1ncu s TRP 33 Cb -0.16 -3.10 0.04 0.00 -1.15 0.00 0.00 33.47 29.10 1ncu s TRP 33 CO -0.10 -0.49 0.42 -0.48 0.02 0.00 0.00 176.95 176.31 1ncu s LEU 34 N 2.82 0.37 0.13 2.99 2.34 -0.22 -3.09 118.68 124.03 1ncu s LEU 34 Ca 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.41 1ncu s LEU 34 Cb -0.15 1.80 0.00 0.00 -0.56 0.00 0.00 46.19 47.28 1ncu s LEU 34 CO 0.11 -0.73 0.00 -1.14 -1.06 0.00 0.00 176.35 173.53 1ncu n ARG 35 N 0.27 0.00 0.00 1.48 3.00 -1.26 -2.39 116.66 117.76 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 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 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 -2.75 0.00 0.00 -0.14 4.81 -1.26 -5.01 118.16 113.81 1ncu n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ncu n LYS 36 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -0.63 -2.35 2.73 3.14 0.00 -1.26 -4.74 105.19 102.09 1ncu n GLY 37 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.42 0.80 -1.68 1.61 -0.06 -1.26 -4.94 117.38 111.42 1ncu n GLN 38 Ca 0.00 -1.70 0.00 0.00 -2.00 0.00 0.00 57.00 53.30 1ncu n GLN 38 Cb 0.00 -1.20 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 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 1.16 0.00 0.00 1.69 0.24 -1.26 -4.50 118.33 115.66 1ncu n VAL 39 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1ncu n VAL 39 Cb 0.66 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.68 0.00 -1.66 1.34 4.32 -1.18 -4.41 117.00 113.74 1ncu n LEU 40 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 1ncu n LEU 40 Cb 0.23 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.04 1ncu n LEU 40 CO 0.00 0.00 -0.12 -1.54 -1.22 0.00 0.00 177.39 174.51 1ncu n SER 41 N 2.87 -1.98 -2.64 -1.43 3.41 -1.25 -1.02 113.62 111.56 1ncu n SER 41 Ca 0.00 0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.54 1ncu n SER 41 Cb 0.00 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.29 -0.14 -0.22 6.66 -2.24 -1.26 -4.72 114.28 112.65 1ncu n THR 42 Ca -0.02 -0.07 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1ncu n THR 42 Cb 0.20 -0.19 0.14 0.00 -2.10 0.00 0.00 70.33 68.38 1ncu n THR 42 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ncu h SER 43 N 0.06 0.12 0.00 3.42 4.64 -1.24 -3.45 113.55 117.10 1ncu h SER 43 Ca -0.16 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ncu h SER 43 Cb 0.35 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1ncu h SER 43 CO 0.20 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 1ncu n ALA 44 N -2.56 0.00 -0.03 5.18 0.00 -1.26 -4.96 120.51 116.87 1ncu n ALA 44 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1ncu n ALA 44 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 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 0.91 -4.12 0.00 1.74 -1.26 -4.87 116.66 109.05 1ncu n ARG 45 Ca 0.00 -0.09 -0.23 0.00 -0.77 0.00 0.00 57.85 56.75 1ncu n ARG 45 Cb 0.00 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.00 1ncu n ARG 45 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ncu s HIS 46 N -2.81 2.68 -0.35 -1.55 5.04 -1.26 -2.76 115.29 114.27 1ncu s HIS 46 Ca -0.06 -0.41 -0.00 0.00 -1.54 0.00 0.00 55.06 53.05 1ncu s HIS 46 Cb 0.08 -1.66 0.14 0.00 0.04 0.00 0.00 32.58 31.18 1ncu s HIS 46 CO 0.63 0.33 0.20 -1.14 -2.34 0.00 0.00 174.74 172.43 1ncu s GLN 47 N -3.84 0.59 0.66 2.88 2.00 -1.18 -4.07 119.66 116.71 1ncu s GLN 47 Ca 0.38 -1.32 -0.03 0.00 -2.00 0.00 0.00 55.36 52.38 1ncu s GLN 47 Cb -0.02 -1.40 0.07 0.00 0.80 0.00 0.00 33.01 32.46 1ncu s GLN 47 CO 0.22 -1.19 0.94 0.54 -0.50 0.00 0.00 175.29 175.31 1ncu s VAL 48 N 1.09 2.38 0.22 1.34 0.11 -1.26 -3.49 120.40 120.78 1ncu s VAL 48 Ca 0.17 -0.44 -0.13 0.00 -2.93 0.00 0.00 61.98 58.65 1ncu s VAL 48 Cb -0.23 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1ncu s VAL 48 CO -0.02 0.00 0.44 0.28 -3.33 0.00 0.00 175.10 172.47 1ncu s THR 49 N -3.09 0.02 0.28 5.04 -1.32 -0.44 -4.75 115.64 111.39 1ncu s THR 49 Ca 0.61 -1.27 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 1ncu s THR 49 Cb -0.10 -1.98 -0.06 0.00 -1.51 0.00 0.00 72.50 68.85 1ncu s THR 49 CO 0.43 -0.10 0.07 0.42 -2.21 0.00 0.00 174.62 173.23 1ncu s THR 50 N -3.98 0.87 0.00 5.08 -4.23 -1.26 -1.93 115.64 110.20 1ncu s THR 50 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1ncu s THR 50 Cb 0.00 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1ncu s THR 50 CO 0.04 -0.04 0.00 0.41 -0.54 0.00 0.00 174.62 174.49 1ncu n THR 51 N -0.55 0.00 0.00 3.99 -1.04 0.16 -4.90 114.28 111.93 1ncu n THR 51 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ncu n THR 51 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.41 -2.82 4.76 -1.26 -4.02 118.16 114.41 1ncu n LYS 52 Ca 0.00 0.21 0.06 0.00 -2.87 0.00 0.00 58.31 55.71 1ncu n LYS 52 Cb 0.00 -0.97 0.20 0.00 -1.84 0.00 0.00 35.03 32.42 1ncu n LYS 52 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ncu n TYR 53 N -0.69 0.53 -3.90 2.13 4.01 -1.26 -4.60 117.16 113.39 1ncu n TYR 53 Ca 0.00 -1.15 -0.11 0.00 -0.16 0.00 0.00 57.90 56.48 1ncu n TYR 53 Cb 0.00 -0.29 -0.11 0.00 -0.31 0.00 0.00 39.34 38.63 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 -2.99 0.36 0.46 -0.72 -2.85 -1.26 -1.25 119.74 111.50 1ncu s LYS 54 Ca 0.39 -0.35 0.05 0.00 -1.00 0.00 0.00 55.97 55.06 1ncu s LYS 54 Cb 0.34 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 36.22 1ncu s LYS 54 CO 0.03 -0.07 0.11 0.45 0.10 0.00 0.00 175.35 175.97 1ncu s SER 55 N -1.10 4.23 -0.16 0.03 0.15 -0.67 0.35 113.70 116.52 1ncu s SER 55 Ca -0.12 -1.36 -0.13 0.00 0.70 0.00 0.00 55.95 55.04 1ncu s SER 55 Cb -0.07 -0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.29 1ncu s SER 55 CO 0.01 -0.70 0.41 0.42 1.20 0.00 0.00 173.24 174.57 1ncu s THR 56 N -2.74 -0.01 -0.10 6.45 -4.23 -0.81 -1.77 115.64 112.43 1ncu s THR 56 Ca 0.27 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1ncu s THR 56 Cb 0.04 -0.59 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 1ncu s THR 56 CO 0.15 0.01 -0.18 0.12 -0.54 0.00 0.00 174.62 174.18 1ncu s PHE 57 N 0.60 2.67 -0.18 3.99 2.19 -0.30 -1.32 117.98 125.63 1ncu s PHE 57 Ca -0.03 -0.67 -0.05 0.00 0.33 0.00 0.00 56.93 56.51 1ncu s PHE 57 Cb -0.05 -1.74 0.09 0.00 -1.31 0.00 0.00 43.02 40.01 1ncu s PHE 57 CO -0.04 -0.20 0.34 -1.83 1.83 0.00 0.00 175.22 175.32 1ncu s GLU 58 N 0.08 0.25 0.43 10.12 4.04 -1.23 0.08 118.70 132.48 1ncu s GLU 58 Ca -0.08 0.78 -0.01 0.00 0.04 0.00 0.00 54.97 55.70 1ncu s GLU 58 Cb -0.15 -0.06 -0.02 0.00 0.02 0.00 0.00 34.13 33.93 1ncu s GLU 58 CO 0.05 -0.36 0.66 0.42 -1.84 0.00 0.00 175.26 174.20 1ncu s ILE 59 N 2.51 4.44 0.00 1.83 1.01 -1.22 -3.08 121.20 126.69 1ncu s ILE 59 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1ncu s ILE 59 Cb -0.13 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1ncu s ILE 59 CO -0.11 -0.48 0.24 -1.20 0.00 0.00 0.00 174.94 173.38 1ncu n SER 60 N -2.05 0.00 0.00 3.58 7.64 -1.26 -4.50 113.62 117.04 1ncu n SER 60 Ca -0.00 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1ncu n SER 60 Cb 0.57 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1ncu n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ncu n SER 61 N 0.00 0.00 -3.88 6.43 7.64 -1.26 -4.32 113.62 118.24 1ncu n SER 61 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1ncu n SER 61 Cb 0.50 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1ncu n SER 61 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ncu n VAL 62 N -0.20 -2.86 0.00 0.44 3.14 -1.11 -3.96 118.33 113.77 1ncu n VAL 62 Ca 0.00 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1ncu n VAL 62 Cb 0.00 -2.51 0.00 0.00 -1.06 0.00 0.00 33.84 30.27 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 -3.46 0.00 0.00 1.45 1.13 -1.26 -1.37 117.38 113.87 1ncu n GLN 63 Ca -0.24 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1ncu n GLN 63 Cb 0.62 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.71 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 -1.88 2.11 -0.90 -1.58 0.00 -1.26 -4.95 120.51 112.05 1ncu n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ncu n ALA 64 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.34 -5.16 0.00 0.00 3.41 -0.47 -5.04 113.62 106.01 1ncu n SER 65 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1ncu n SER 65 Cb 0.04 -2.32 0.00 0.00 -0.26 0.00 0.00 64.21 61.66 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 -1.25 0.00 0.00 4.04 9.92 -1.26 -5.09 116.55 122.91 1ncu n ASP 66 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ncu n ASP 66 Cb 0.07 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 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 -0.89 -0.13 -0.09 -1.24 0.28 -1.26 -4.90 120.64 112.41 1ncu n GLU 67 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 1ncu n GLU 67 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 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 -0.43 3.80 -1.84 0.00 -1.08 -3.46 105.19 102.19 1ncu n GLY 68 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.57 5.88 0.13 1.61 -0.87 -1.24 0.32 114.94 115.19 1ncu s ASN 69 Ca -0.20 0.27 -0.14 0.00 -1.57 0.00 0.00 52.86 51.22 1ncu s ASN 69 Cb 0.06 -1.77 0.02 0.00 -0.02 0.00 0.00 41.25 39.54 1ncu s ASN 69 CO 0.51 0.34 0.35 -0.31 -2.57 0.00 0.00 177.10 175.42 1ncu s TYR 70 N -1.08 -0.04 0.20 2.20 2.02 -0.77 -4.66 117.35 115.21 1ncu s TYR 70 Ca 0.19 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.55 1ncu s TYR 70 Cb -0.12 0.16 0.01 0.00 -0.40 0.00 0.00 41.96 41.61 1ncu s TYR 70 CO 0.09 -0.69 0.29 -1.13 -1.57 0.00 0.00 175.55 172.53 1ncu n SER 71 N -0.20 -0.82 -3.40 2.29 3.41 -1.01 -1.77 113.62 112.12 1ncu n SER 71 Ca -0.14 -2.02 -0.10 0.00 -0.26 0.00 0.00 58.87 56.35 1ncu n SER 71 Cb 0.63 1.50 -0.09 0.00 -0.26 0.00 0.00 64.21 65.99 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 -2.63 -0.57 -0.68 -3.33 0.11 -0.78 -1.05 120.40 111.48 1ncu s VAL 72 Ca 0.15 -0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 58.95 1ncu s VAL 72 Cb -0.01 -0.77 0.10 0.00 -1.53 0.00 0.00 36.38 34.17 1ncu s VAL 72 CO 0.11 -0.11 0.88 0.68 -3.33 0.00 0.00 175.10 173.33 1ncu s VAL 73 N 2.52 4.63 -0.06 2.04 -7.23 0.39 -0.88 120.40 121.80 1ncu s VAL 73 Ca 0.10 -0.88 -0.21 0.00 -1.81 0.00 0.00 61.98 59.18 1ncu s VAL 73 Cb -0.15 -4.62 -0.04 0.00 0.56 0.00 0.00 36.38 32.13 1ncu s VAL 73 CO -0.15 -1.33 0.59 -0.69 -0.31 0.00 0.00 175.10 173.22 1ncu s VAL 74 N 3.17 5.05 0.38 1.32 1.01 0.23 -3.04 120.40 128.52 1ncu s VAL 74 Ca 0.20 1.22 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 1ncu s VAL 74 Cb -0.17 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1ncu s VAL 74 CO 0.05 0.33 0.65 -1.83 0.00 0.00 0.00 175.10 174.30 1ncu s GLU 75 N 0.41 2.15 0.00 2.72 1.03 -1.24 -0.55 118.70 123.22 1ncu s GLU 75 Ca 0.32 -1.65 0.00 0.00 0.03 0.00 0.00 54.97 53.66 1ncu s GLU 75 Cb -0.17 0.54 0.00 0.00 -0.80 0.00 0.00 34.13 33.70 1ncu s GLU 75 CO 0.15 -0.96 0.00 -1.71 -1.33 0.00 0.00 175.26 171.42 1ncu n ASN 76 N -1.56 1.15 0.00 0.83 5.15 -0.74 -1.98 115.26 118.11 1ncu n ASN 76 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1ncu n ASN 76 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1ncu n ASN 76 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1ncu n SER 77 N 0.00 0.00 -0.55 1.20 2.88 -1.26 -3.48 113.62 112.41 1ncu n SER 77 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ncu n SER 77 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -3.83 0.00 -4.37 -1.46 0.00 -1.26 -4.72 120.64 104.99 1ncu n GLU 78 Ca 0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 57.16 56.65 1ncu n GLU 78 Cb 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 31.44 31.46 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 -0.23 1.53 -0.41 -1.84 0.00 -1.23 -4.76 107.32 100.38 1ncu s GLY 79 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.31 1ncu s GLY 79 CO 0.00 -1.44 0.33 1.25 0.00 0.00 0.00 173.10 173.24 1ncu s LYS 80 N -2.11 0.91 0.43 2.90 2.36 -1.25 -1.79 119.74 121.20 1ncu s LYS 80 Ca 0.13 -2.07 0.08 0.00 -2.55 0.00 0.00 55.97 51.57 1ncu s LYS 80 Cb -0.10 -1.46 0.01 0.00 -1.05 0.00 0.00 37.83 35.23 1ncu s LYS 80 CO 0.06 -1.37 0.55 -1.14 1.55 0.00 0.00 175.35 175.01 1ncu s GLN 81 N 0.12 2.75 0.07 4.03 0.74 0.29 -4.93 119.66 122.73 1ncu s GLN 81 Ca 0.31 -1.31 -0.01 0.00 0.05 0.00 0.00 55.36 54.40 1ncu s GLN 81 Cb 0.01 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.43 1ncu s GLN 81 CO -0.18 -0.30 0.11 -0.85 -0.55 0.00 0.00 175.29 173.53 1ncu n GLU 82 N -1.83 0.16 -3.84 1.67 -0.00 -1.26 0.78 120.64 116.31 1ncu n GLU 82 Ca 0.08 -0.52 -0.09 0.00 -0.00 0.00 0.00 57.16 56.62 1ncu n GLU 82 Cb 0.60 0.54 -0.07 0.00 -0.00 0.00 0.00 31.44 32.51 1ncu n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ncu s ALA 83 N -1.65 -0.29 -0.05 -1.84 0.00 -0.06 -4.86 121.76 113.00 1ncu s ALA 83 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1ncu s ALA 83 Cb -0.00 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1ncu s ALA 83 CO 0.04 -0.56 -0.02 -1.21 0.00 0.00 0.00 175.76 174.01 1ncu s GLU 84 N -3.87 0.60 -0.15 0.00 0.41 -1.26 -1.86 118.70 112.57 1ncu s GLU 84 Ca 0.07 0.01 -0.08 0.00 -0.41 0.00 0.00 54.97 54.56 1ncu s GLU 84 Cb 0.04 -0.75 0.06 0.00 -1.78 0.00 0.00 34.13 31.69 1ncu s GLU 84 CO -0.09 -0.15 0.36 -0.59 -0.49 0.00 0.00 175.26 174.30 1ncu s PHE 85 N 1.21 -0.52 -0.18 1.61 -0.71 -0.73 -4.87 117.98 113.78 1ncu s PHE 85 Ca -0.07 1.14 -0.12 0.00 -1.04 0.00 0.00 56.93 56.84 1ncu s PHE 85 Cb -0.14 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1ncu s PHE 85 CO -0.02 -0.31 0.23 0.95 -1.34 0.00 0.00 175.22 174.74 1ncu s THR 86 N 1.36 5.34 -0.11 -4.49 -4.23 -1.26 -1.85 115.64 110.40 1ncu s THR 86 Ca -0.09 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1ncu s THR 86 Cb -0.09 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 1ncu s THR 86 CO -0.12 0.40 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.42 1ncu s LEU 87 N 0.52 2.45 0.30 4.79 2.01 0.97 -2.06 118.68 127.67 1ncu s LEU 87 Ca 0.13 -0.42 0.11 0.00 0.01 0.00 0.00 54.13 53.96 1ncu s LEU 87 Cb -0.12 -1.52 -0.06 0.00 0.01 0.00 0.00 46.19 44.50 1ncu s LEU 87 CO 0.02 0.17 -0.16 -0.89 1.01 0.00 0.00 176.35 176.50 1ncu s THR 88 N 0.30 2.41 -0.44 5.49 2.01 -1.11 -2.62 115.64 121.69 1ncu s THR 88 Ca -0.13 -2.32 0.07 0.00 0.31 0.00 0.00 61.69 59.62 1ncu s THR 88 Cb -0.17 -2.44 0.27 0.00 0.01 0.00 0.00 72.50 70.17 1ncu s THR 88 CO 0.07 -0.33 0.78 2.30 -0.69 0.00 0.00 174.62 176.75 1ncu n ILE 89 N -0.69 -0.26 -2.67 1.82 -6.64 -1.15 -1.56 119.36 108.21 1ncu n ILE 89 Ca -0.05 -2.71 -0.04 0.00 -1.77 0.00 0.00 62.75 58.18 1ncu n ILE 89 Cb 0.61 0.11 0.10 0.00 -1.44 0.00 0.00 39.64 39.02 1ncu n ILE 89 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 1ncu n GLN 90 N 1.24 0.18 -0.38 6.28 -0.06 -0.02 -4.36 117.38 120.27 1ncu n GLN 90 Ca 0.15 -0.76 0.00 0.00 -2.00 0.00 0.00 57.00 54.39 1ncu n GLN 90 Cb 0.61 -0.22 0.00 0.00 -4.06 0.00 0.00 30.24 26.57 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03