#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 0.00 -1.46 0.00 -1.26 -3.89 118.16 111.55 1ncu n LYS -5 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.04 1ncu n LYS -5 Cb 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 1ncu n LYS -5 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ncu n THR -4 N 0.00 0.00 -2.36 0.58 5.66 -1.26 -4.99 114.28 111.92 1ncu n THR -4 Ca -0.08 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.90 1ncu n THR -4 Cb 0.37 -0.04 0.04 0.00 -1.55 0.00 0.00 70.33 69.15 1ncu n THR -4 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1ncu n THR -3 N -1.73 0.00 -3.18 1.09 5.66 -1.26 -5.15 114.28 109.72 1ncu n THR -3 Ca 0.00 -0.46 -0.20 0.00 -3.05 0.00 0.00 64.05 60.34 1ncu n THR -3 Cb 0.00 0.68 0.03 0.00 -1.55 0.00 0.00 70.33 69.49 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 -1.90 3.21 0.00 1.09 0.20 -1.26 -5.07 118.68 114.94 1ncu s LEU -2 Ca 0.04 -0.79 0.00 0.00 0.69 0.00 0.00 54.13 54.07 1ncu s LEU -2 Cb 0.21 -1.85 0.00 0.00 -0.43 0.00 0.00 46.19 44.12 1ncu s LEU -2 CO -0.06 -1.12 0.00 0.00 -0.29 0.00 0.00 176.35 174.88 1ncu n ALA -1 N -2.04 0.00 -3.96 5.97 0.00 -1.26 -4.49 120.51 114.74 1ncu n ALA -1 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 1ncu n ALA -1 Cb 0.61 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 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 1.79 0.23 0.00 0.00 -1.26 -3.89 121.76 116.63 1ncu s ALA 0 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1ncu s ALA 0 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1ncu s ALA 0 CO 0.00 -0.77 0.13 -0.98 0.00 0.00 0.00 175.76 174.13 1ncu s ARG 1 N 1.49 1.32 -0.24 0.00 1.70 -1.24 -3.63 118.95 118.35 1ncu s ARG 1 Ca -0.00 -1.71 -0.07 0.00 -0.47 0.00 0.00 55.73 53.48 1ncu s ARG 1 Cb -0.16 0.08 -0.02 0.00 -0.57 0.00 0.00 34.95 34.28 1ncu s ARG 1 CO -0.08 -0.38 0.05 0.42 -1.08 0.00 0.00 175.30 174.23 1ncu s ILE 2 N -3.96 4.11 -0.15 4.99 -1.09 -1.26 -3.63 121.20 120.21 1ncu s ILE 2 Ca 0.38 -0.25 -0.12 0.00 -2.23 0.00 0.00 60.65 58.44 1ncu s ILE 2 Cb 0.07 -2.92 -0.07 0.00 -1.58 0.00 0.00 42.46 37.96 1ncu s ILE 2 CO 0.14 0.35 -0.06 0.25 -1.23 0.00 0.00 174.94 174.38 1ncu h LEU 3 N 8.21 0.00 -6.14 2.97 6.46 -1.62 -3.44 115.31 121.77 1ncu h LEU 3 Ca -0.39 -0.13 -0.58 0.00 -0.12 0.00 0.00 57.88 56.66 1ncu h LEU 3 Cb 1.17 0.00 -0.41 0.00 -0.73 0.00 0.00 40.66 40.70 1ncu h LEU 3 CO 0.58 0.92 -0.84 0.41 -0.62 0.00 0.00 178.44 178.89 1ncu n THR 4 N -4.58 0.85 -0.79 1.05 -1.04 -1.13 -4.95 114.28 103.69 1ncu n THR 4 Ca -0.13 -4.61 -0.30 0.00 -2.04 0.00 0.00 64.05 56.97 1ncu n THR 4 Cb 0.35 -2.03 0.09 0.00 -1.82 0.00 0.00 70.33 66.93 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 1.19 -0.91 -3.23 -2.82 2.85 -1.26 -2.65 118.16 111.33 1ncu n LYS 5 Ca 0.26 -0.26 -0.31 0.00 -1.05 0.00 0.00 58.31 56.94 1ncu n LYS 5 Cb 0.46 -1.31 -0.05 0.00 -0.65 0.00 0.00 35.03 33.49 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 -2.72 3.83 0.00 -1.58 0.04 -1.25 -4.60 135.00 128.73 1ncu s PRO 6 Ca 0.39 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1ncu s PRO 6 Cb -0.00 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1ncu s PRO 6 CO 0.55 0.20 0.00 0.54 0.04 0.00 0.00 177.00 178.32 1ncu n ARG 7 N -0.51 0.89 -1.64 4.56 3.00 -1.26 -4.82 116.66 116.89 1ncu n ARG 7 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.84 1ncu n ARG 7 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.99 1ncu n ARG 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ncu n SER 8 N -2.13 1.14 -3.65 0.55 7.64 -1.26 -4.65 113.62 111.25 1ncu n SER 8 Ca 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1ncu n SER 8 Cb 0.00 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.10 0.66 -0.18 1.43 1.75 -0.86 -4.95 119.30 115.04 1ncu s MET 9 Ca 0.01 -0.38 -0.08 0.00 -1.25 0.00 0.00 55.69 54.00 1ncu s MET 9 Cb -0.00 0.22 0.08 0.00 2.84 0.00 0.00 34.83 37.96 1ncu s MET 9 CO 0.01 -0.30 0.41 0.99 -0.65 0.00 0.00 175.02 175.47 1ncu s THR 10 N -2.58 -0.41 0.00 10.11 2.01 -1.26 -2.04 115.64 121.47 1ncu s THR 10 Ca 0.16 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1ncu s THR 10 Cb 0.02 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1ncu s THR 10 CO -0.01 0.06 0.00 1.33 -0.69 0.00 0.00 174.62 175.31 1ncu n VAL 11 N 4.98 0.00 -0.02 3.82 0.24 -0.68 -4.96 118.33 121.71 1ncu n VAL 11 Ca -0.14 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.07 1ncu n VAL 11 Cb 0.52 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 1ncu n VAL 11 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1ncu h TYR 12 N 0.72 0.03 0.00 6.34 3.20 -1.88 -1.56 116.97 123.82 1ncu h TYR 12 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1ncu h TYR 12 Cb 0.00 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1ncu h TYR 12 CO 0.00 1.05 0.00 -0.85 -1.64 0.00 0.00 178.16 176.72 1ncu n GLU 13 N -3.08 0.00 -2.86 1.82 0.28 -1.26 -2.24 120.64 113.29 1ncu n GLU 13 Ca -0.17 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.45 1ncu n GLU 13 Cb 1.05 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.92 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 5.67 0.00 -1.84 0.00 -1.26 -4.88 105.19 102.88 1ncu n GLY 14 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 -2.72 1.61 1.02 -1.26 -4.22 120.64 115.44 1ncu n GLU 15 Ca 0.37 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.42 1ncu n GLU 15 Cb 0.31 -0.66 0.07 0.00 -0.02 0.00 0.00 31.44 31.15 1ncu n GLU 15 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ncu n SER 16 N -0.36 -0.52 -4.44 1.62 2.88 -1.26 -4.89 113.62 106.65 1ncu n SER 16 Ca 0.00 -2.70 -0.44 0.00 -1.33 0.00 0.00 58.87 54.40 1ncu n SER 16 Cb 0.00 0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.20 3.72 0.19 -1.46 0.00 -1.26 -5.01 121.76 116.75 1ncu s ALA 17 Ca 0.25 -3.08 -0.08 0.00 0.00 0.00 0.00 51.96 49.05 1ncu s ALA 17 Cb 0.41 -4.02 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1ncu s ALA 17 CO -0.04 -2.82 0.48 0.50 0.00 0.00 0.00 175.76 173.89 1ncu s ARG 18 N 1.91 3.74 0.04 0.00 3.52 -1.26 -2.65 118.95 124.26 1ncu s ARG 18 Ca 0.35 0.15 -0.02 0.00 -0.13 0.00 0.00 55.73 56.09 1ncu s ARG 18 Cb -0.05 -2.74 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1ncu s ARG 18 CO -0.06 0.38 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.75 1ncu s PHE 19 N -1.74 0.42 -0.19 5.12 0.08 0.13 -4.92 117.98 116.88 1ncu s PHE 19 Ca 0.44 -0.88 -0.08 0.00 0.12 0.00 0.00 56.93 56.53 1ncu s PHE 19 Cb -0.12 -0.31 0.08 0.00 -0.57 0.00 0.00 43.02 42.11 1ncu s PHE 19 CO 0.22 -0.35 0.42 -1.54 -0.10 0.00 0.00 175.22 173.87 1ncu s SER 20 N -2.55 -0.32 -0.18 1.36 1.04 -1.26 -1.13 113.70 110.66 1ncu s SER 20 Ca 0.01 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1ncu s SER 20 Cb 0.03 1.21 0.01 0.00 0.10 0.00 0.00 66.02 67.37 1ncu s SER 20 CO -0.08 -0.22 -0.17 0.00 0.98 0.00 0.00 173.24 173.75 1ncu s ASP 22 N 1.24 6.37 -0.06 0.00 1.01 -1.08 -1.43 116.67 122.71 1ncu s ASP 22 Ca 0.03 -0.22 0.05 0.00 0.71 0.00 0.00 52.55 53.13 1ncu s ASP 22 Cb -0.14 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1ncu s ASP 22 CO -0.09 -0.86 -0.23 0.42 0.21 0.00 0.00 175.17 174.62 1ncu s THR 23 N 3.08 1.89 0.31 -1.27 -4.23 0.53 -1.38 115.64 114.57 1ncu s THR 23 Ca 0.27 -0.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 1ncu s THR 23 Cb -0.13 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 1ncu s THR 23 CO 0.21 0.53 0.42 -0.62 -0.54 0.00 0.00 174.62 174.62 1ncu s ASP 24 N -0.06 6.00 0.00 3.99 2.15 -1.24 -4.07 116.67 123.44 1ncu s ASP 24 Ca -0.05 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1ncu s ASP 24 Cb -0.14 -1.38 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 1ncu s ASP 24 CO 0.04 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 1ncu n GLY 25 N -1.55 0.57 3.74 2.66 0.00 -1.25 -3.67 105.19 105.70 1ncu n GLY 25 Ca -0.03 0.60 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1ncu n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ncu s GLU 26 N 0.00 4.45 0.19 1.61 4.04 -1.25 0.90 118.70 128.64 1ncu s GLU 26 Ca 0.00 0.97 0.04 0.00 0.04 0.00 0.00 54.97 56.03 1ncu s GLU 26 Cb 0.00 -3.38 0.09 0.00 0.02 0.00 0.00 34.13 30.85 1ncu s GLU 26 CO 0.00 0.24 1.44 -1.00 -1.84 0.00 0.00 175.26 174.10 1ncu h PRO 27 N 5.94 0.16 -3.43 -4.83 0.13 -1.95 -3.30 132.00 124.73 1ncu h PRO 27 Ca -0.43 -0.16 -0.23 0.00 -0.87 0.00 0.00 66.00 64.31 1ncu h PRO 27 Cb 1.20 0.04 -0.29 0.00 0.13 0.00 0.00 31.00 32.08 1ncu h PRO 27 CO 0.72 0.87 -0.62 0.08 -0.23 0.00 0.00 178.00 178.81 1ncu s VAL 28 N -3.35 -0.02 1.06 1.56 1.01 0.26 -4.63 120.40 116.30 1ncu s VAL 28 Ca -0.03 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1ncu s VAL 28 Cb 0.11 -0.16 0.24 0.00 0.00 0.00 0.00 36.38 36.56 1ncu s VAL 28 CO 0.81 0.03 1.23 -2.16 0.00 0.00 0.00 175.10 175.01 1ncu s PRO 29 N 0.53 -0.14 0.00 2.72 0.04 -0.28 -4.55 135.00 133.31 1ncu s PRO 29 Ca -0.04 -0.25 0.01 0.00 0.04 0.00 0.00 61.00 60.75 1ncu s PRO 29 Cb -0.06 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.74 1ncu s PRO 29 CO -0.02 -2.96 -0.02 0.99 0.04 0.00 0.00 177.00 175.02 1ncu s THR 30 N -3.51 0.15 0.01 1.26 2.01 0.48 -4.94 115.64 111.12 1ncu s THR 30 Ca 0.72 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1ncu s THR 30 Cb -0.06 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1ncu s THR 30 CO 0.54 -0.05 -0.21 0.54 -0.69 0.00 0.00 174.62 174.76 1ncu s VAL 31 N -0.29 2.56 -0.21 3.82 0.11 -1.26 -1.02 120.40 124.11 1ncu s VAL 31 Ca -0.02 -1.14 -0.04 0.00 -2.93 0.00 0.00 61.98 57.85 1ncu s VAL 31 Cb -0.02 -2.02 0.09 0.00 -1.53 0.00 0.00 36.38 32.90 1ncu s VAL 31 CO -0.00 0.43 0.20 -0.89 -3.33 0.00 0.00 175.10 171.51 1ncu s THR 32 N -0.81 -0.28 -0.33 5.04 2.01 -1.16 -4.98 115.64 115.14 1ncu s THR 32 Ca 0.13 -0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.72 1ncu s THR 32 Cb -0.10 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1ncu s THR 32 CO 0.03 -0.26 0.77 0.26 -0.69 0.00 0.00 174.62 174.73 1ncu s TRP 33 N 2.29 3.17 -0.10 4.92 0.52 -1.26 -0.68 118.94 127.79 1ncu s TRP 33 Ca 0.06 0.70 -0.21 0.00 0.02 0.00 0.00 56.10 56.68 1ncu s TRP 33 Cb -0.16 -3.27 0.05 0.00 -1.15 0.00 0.00 33.47 28.94 1ncu s TRP 33 CO -0.14 -0.62 0.50 -0.48 0.02 0.00 0.00 176.95 176.24 1ncu s LEU 34 N 2.98 0.07 0.00 2.99 2.34 -0.13 -2.55 118.68 124.39 1ncu s LEU 34 Ca 0.31 0.67 0.00 0.00 0.06 0.00 0.00 54.13 55.18 1ncu s LEU 34 Cb -0.14 1.84 0.00 0.00 -0.56 0.00 0.00 46.19 47.34 1ncu s LEU 34 CO 0.14 -0.38 0.00 -1.14 -1.06 0.00 0.00 176.35 173.91 1ncu n ARG 35 N 1.83 0.00 0.00 1.48 3.00 -1.26 -3.20 116.66 118.51 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 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 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 -1.09 0.00 -0.88 -0.14 4.81 -1.26 -4.99 118.16 114.60 1ncu n LYS 36 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1ncu n LYS 36 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 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 3.44 2.49 3.14 0.00 -1.26 -4.77 105.19 108.23 1ncu n GLY 37 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 1ncu n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ncu n GLN 38 N 1.17 -1.09 -2.53 1.61 7.27 -1.26 -3.51 117.38 119.04 1ncu n GLN 38 Ca 0.26 1.29 -0.12 0.00 0.07 0.00 0.00 57.00 58.50 1ncu n GLN 38 Cb 0.61 -4.31 -0.02 0.00 2.41 0.00 0.00 30.24 28.93 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1ncu n VAL 39 N -1.15 0.00 0.00 1.69 0.24 -1.26 -4.37 118.33 113.48 1ncu n VAL 39 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1ncu n VAL 39 Cb 0.44 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.15 0.00 0.00 1.34 4.32 -1.06 -4.37 117.00 115.08 1ncu n LEU 40 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 1ncu n LEU 40 Cb 0.31 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1ncu n LEU 40 CO 0.27 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.24 1ncu n SER 41 N 0.81 0.00 -3.38 -1.43 7.64 -1.25 -1.12 113.62 114.90 1ncu n SER 41 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1ncu n SER 41 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1ncu n SER 41 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ncu n THR 42 N 0.00 -0.53 0.12 0.44 -2.24 -1.23 -4.76 114.28 106.08 1ncu n THR 42 Ca 0.00 -0.18 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1ncu n THR 42 Cb 0.00 -0.48 0.01 0.00 -2.10 0.00 0.00 70.33 67.75 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 0.46 0.00 0.00 3.42 4.64 -1.34 -3.46 113.55 117.27 1ncu h SER 43 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1ncu h SER 43 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1ncu h SER 43 CO 0.22 0.53 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 1ncu n ALA 44 N -2.25 0.00 -1.09 5.18 0.00 -1.26 -4.98 120.51 116.11 1ncu n ALA 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ncu n ALA 44 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.28 0.00 -3.63 0.00 1.85 -1.26 -4.97 116.66 108.38 1ncu n ARG 45 Ca 0.00 -0.25 -0.21 0.00 -1.00 0.00 0.00 57.85 56.39 1ncu n ARG 45 Cb 0.00 -0.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.93 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 2.79 -0.30 2.89 0.09 -1.26 -1.40 115.29 118.09 1ncu s HIS 46 Ca 0.00 -0.41 -0.03 0.00 -0.00 0.00 0.00 55.06 54.62 1ncu s HIS 46 Cb 0.00 -2.04 0.11 0.00 -0.00 0.00 0.00 32.58 30.65 1ncu s HIS 46 CO 0.00 -0.02 0.15 -1.14 -0.00 0.00 0.00 174.74 173.73 1ncu s GLN 47 N -4.09 0.30 0.34 1.40 -0.44 -1.13 -3.56 119.66 112.48 1ncu s GLN 47 Ca 0.46 -0.74 0.08 0.00 -2.50 0.00 0.00 55.36 52.66 1ncu s GLN 47 Cb -0.05 -1.25 -0.03 0.00 -1.64 0.00 0.00 33.01 30.04 1ncu s GLN 47 CO 0.28 -1.06 0.22 0.54 0.50 0.00 0.00 175.29 175.77 1ncu s VAL 48 N 1.85 3.30 0.10 1.34 0.11 -1.26 -2.00 120.40 123.83 1ncu s VAL 48 Ca 0.11 -1.53 -0.14 0.00 -2.93 0.00 0.00 61.98 57.49 1ncu s VAL 48 Cb -0.18 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.61 1ncu s VAL 48 CO -0.28 -0.18 0.34 0.28 -3.33 0.00 0.00 175.10 171.92 1ncu s THR 49 N -2.36 0.09 0.01 5.04 -1.32 -0.51 -4.80 115.64 111.78 1ncu s THR 49 Ca 0.39 -0.72 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 1ncu s THR 49 Cb -0.04 -1.15 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 1ncu s THR 49 CO 0.25 -0.40 -0.07 0.42 -2.21 0.00 0.00 174.62 172.61 1ncu s THR 50 N -3.49 0.54 0.00 5.08 -4.23 -1.26 -1.88 115.64 110.40 1ncu s THR 50 Ca 0.01 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1ncu s THR 50 Cb 0.02 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1ncu s THR 50 CO -0.09 0.00 0.00 0.41 -0.54 0.00 0.00 174.62 174.40 1ncu n THR 51 N 2.51 0.00 0.03 3.99 -1.04 -0.54 -4.98 114.28 114.25 1ncu n THR 51 Ca -0.16 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.84 1ncu n THR 51 Cb 0.57 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.07 1ncu n THR 51 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1ncu h LYS 52 N 0.00 -0.08 0.00 -2.82 1.57 -1.98 -3.40 116.57 109.87 1ncu h LYS 52 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1ncu h LYS 52 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1ncu h LYS 52 CO 0.00 -0.05 -0.37 0.66 -0.57 0.00 0.00 179.45 179.12 1ncu n TYR 53 N -2.36 0.00 -3.68 -1.35 4.02 -1.26 -4.33 117.16 108.20 1ncu n TYR 53 Ca -0.01 -1.10 -0.10 0.00 -0.01 0.00 0.00 57.90 56.68 1ncu n TYR 53 Cb 0.03 -0.19 -0.11 0.00 -0.02 0.00 0.00 39.34 39.06 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 -2.54 0.33 0.46 -0.72 -2.85 -1.26 -0.35 119.74 112.83 1ncu s LYS 54 Ca 0.32 0.86 0.08 0.00 -1.00 0.00 0.00 55.97 56.23 1ncu s LYS 54 Cb 0.31 0.10 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1ncu s LYS 54 CO -0.04 -0.20 0.51 0.45 0.10 0.00 0.00 175.35 176.17 1ncu s SER 55 N 1.93 5.18 -0.17 0.03 0.15 -0.52 -1.47 113.70 118.83 1ncu s SER 55 Ca -0.06 -0.74 -0.12 0.00 0.70 0.00 0.00 55.95 55.73 1ncu s SER 55 Cb -0.10 -0.31 0.05 0.00 -1.71 0.00 0.00 66.02 63.95 1ncu s SER 55 CO -0.12 -0.87 0.42 0.42 1.20 0.00 0.00 173.24 174.29 1ncu s THR 56 N -2.51 -0.01 -0.10 6.45 -4.23 -0.79 -1.46 115.64 112.98 1ncu s THR 56 Ca 0.51 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 1ncu s THR 56 Cb -0.05 -0.61 0.01 0.00 1.34 0.00 0.00 72.50 73.19 1ncu s THR 56 CO 0.31 0.02 -0.15 0.12 -0.54 0.00 0.00 174.62 174.37 1ncu s PHE 57 N 0.83 1.90 -0.08 3.99 5.36 -0.28 -1.42 117.98 128.28 1ncu s PHE 57 Ca -0.05 -0.86 0.01 0.00 -0.96 0.00 0.00 56.93 55.07 1ncu s PHE 57 Cb -0.06 -1.37 0.02 0.00 -0.34 0.00 0.00 43.02 41.27 1ncu s PHE 57 CO -0.06 -0.44 -0.08 -1.83 -1.46 0.00 0.00 175.22 171.35 1ncu s GLU 58 N 0.92 1.36 -0.21 10.12 4.04 -0.84 0.22 118.70 134.30 1ncu s GLU 58 Ca -0.08 -0.25 -0.12 0.00 0.04 0.00 0.00 54.97 54.56 1ncu s GLU 58 Cb -0.15 -1.30 -0.05 0.00 0.02 0.00 0.00 34.13 32.65 1ncu s GLU 58 CO -0.00 -0.12 0.22 0.42 -1.84 0.00 0.00 175.26 173.94 1ncu s ILE 59 N 1.16 5.33 0.00 1.83 1.01 -1.08 -2.84 121.20 126.61 1ncu s ILE 59 Ca -0.06 0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1ncu s ILE 59 Cb -0.14 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1ncu s ILE 59 CO -0.02 0.36 0.38 -1.20 0.00 0.00 0.00 174.94 174.47 1ncu n SER 60 N 3.98 0.00 0.00 3.58 7.64 -1.26 -4.08 113.62 123.48 1ncu n SER 60 Ca -0.13 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.60 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 0.17 -4.02 6.43 2.88 -1.08 -4.70 113.62 113.31 1ncu n SER 61 Ca 0.00 -1.01 -0.37 0.00 -1.33 0.00 0.00 58.87 56.16 1ncu n SER 61 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1ncu n SER 61 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ncu n VAL 62 N -0.00 0.00 0.00 2.46 3.14 -0.50 -4.68 118.33 118.75 1ncu n VAL 62 Ca 0.00 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1ncu n VAL 62 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 1ncu n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ncu n GLN 63 N 1.53 0.00 -0.96 1.45 1.13 -1.26 -4.73 117.38 114.55 1ncu n GLN 63 Ca 0.07 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.09 1ncu n GLN 63 Cb 0.46 -0.12 -0.02 0.00 0.11 0.00 0.00 30.24 30.66 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 -1.45 1.35 -2.67 -1.58 0.00 -1.26 -4.99 120.51 109.90 1ncu n ALA 64 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 1ncu n ALA 64 Cb 0.00 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 19.23 1ncu n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ncu n SER 65 N -0.11 -1.52 -1.61 0.00 2.88 -1.26 -4.94 113.62 107.05 1ncu n SER 65 Ca -0.15 -2.24 -0.02 0.00 -1.33 0.00 0.00 58.87 55.13 1ncu n SER 65 Cb 0.53 0.74 0.29 0.00 -0.75 0.00 0.00 64.21 65.01 1ncu n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ncu n ASP 66 N -1.38 4.32 0.00 -3.46 9.92 -1.26 -5.03 116.55 119.66 1ncu n ASP 66 Ca -0.15 -3.24 0.00 0.00 -0.53 0.00 0.00 54.79 50.86 1ncu n ASP 66 Cb 0.87 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 -0.35 0.00 0.00 -1.24 0.00 -1.26 -4.59 120.64 113.20 1ncu n GLU 67 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.51 1ncu n GLU 67 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.66 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ncu n GLY 68 N 0.00 0.26 3.67 -1.84 0.00 -1.25 -2.93 105.19 103.08 1ncu n GLY 68 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ncu n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ncu s ASN 69 N -0.39 6.73 0.02 1.61 3.84 -1.26 0.28 114.94 125.77 1ncu s ASN 69 Ca 0.00 0.89 -0.06 0.00 0.21 0.00 0.00 52.86 53.90 1ncu s ASN 69 Cb 0.00 -2.36 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 1ncu s ASN 69 CO 0.00 -0.27 0.10 -0.31 -2.79 0.00 0.00 177.10 173.83 1ncu s TYR 70 N 1.85 0.12 0.18 0.43 2.02 -0.66 -4.67 117.35 116.62 1ncu s TYR 70 Ca 0.30 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1ncu s TYR 70 Cb -0.16 -0.10 -0.01 0.00 -0.40 0.00 0.00 41.96 41.29 1ncu s TYR 70 CO 0.11 -0.31 0.18 0.43 -1.57 0.00 0.00 175.55 174.39 1ncu n SER 71 N 1.21 -0.46 -3.37 2.29 7.64 -1.19 -2.02 113.62 117.71 1ncu n SER 71 Ca -0.22 -2.16 -0.11 0.00 1.01 0.00 0.00 58.87 57.39 1ncu n SER 71 Cb 0.57 1.01 -0.09 0.00 -1.01 0.00 0.00 64.21 64.69 1ncu n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ncu s VAL 72 N -2.71 -0.54 -0.61 0.44 0.11 -0.93 -0.95 120.40 115.20 1ncu s VAL 72 Ca 0.20 -0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1ncu s VAL 72 Cb 0.01 -0.82 0.07 0.00 -1.53 0.00 0.00 36.38 34.10 1ncu s VAL 72 CO 0.14 -0.18 0.88 0.68 -3.33 0.00 0.00 175.10 173.30 1ncu s VAL 73 N 2.49 4.47 -0.29 2.04 -7.23 0.14 -0.78 120.40 121.25 1ncu s VAL 73 Ca 0.11 -0.32 -0.22 0.00 -1.81 0.00 0.00 61.98 59.74 1ncu s VAL 73 Cb -0.15 -4.58 -0.01 0.00 0.56 0.00 0.00 36.38 32.20 1ncu s VAL 73 CO -0.18 -1.26 0.70 0.54 -0.31 0.00 0.00 175.10 174.59 1ncu s VAL 74 N 3.69 4.89 0.16 1.32 0.11 0.19 -2.98 120.40 127.77 1ncu s VAL 74 Ca 0.22 1.09 0.08 0.00 -2.93 0.00 0.00 61.98 60.43 1ncu s VAL 74 Cb -0.17 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.59 1ncu s VAL 74 CO 0.12 -0.13 -0.18 -0.70 -3.33 0.00 0.00 175.10 170.88 1ncu s GLU 75 N 2.72 1.24 0.00 1.54 -6.30 -0.19 -1.59 118.70 116.12 1ncu s GLU 75 Ca 0.29 -1.39 0.00 0.00 -2.50 0.00 0.00 54.97 51.36 1ncu s GLU 75 Cb -0.15 -1.27 0.00 0.00 0.00 0.00 0.00 34.13 32.71 1ncu s GLU 75 CO 0.11 0.25 0.00 0.27 0.02 0.00 0.00 175.26 175.91 1ncu n ASN 76 N 0.30 1.09 0.18 -1.70 6.94 -1.23 -0.38 115.26 120.46 1ncu n ASN 76 Ca -0.13 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.54 1ncu n ASN 76 Cb 0.57 0.00 0.59 0.00 -2.36 0.00 0.00 39.78 38.58 1ncu n ASN 76 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1ncu h SER 77 N 0.00 0.00 0.00 0.53 4.64 -1.80 -3.29 113.55 113.63 1ncu h SER 77 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ncu h SER 77 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ncu h SER 77 CO 0.00 0.00 -0.03 -1.84 -0.87 0.00 0.00 176.83 174.09 1ncu n GLU 78 N -2.29 0.00 -3.53 4.77 0.28 -1.26 -5.10 120.64 113.50 1ncu n GLU 78 Ca -0.01 -0.10 -0.18 0.00 -0.16 0.00 0.00 57.16 56.70 1ncu n GLU 78 Cb 0.12 0.07 -0.04 0.00 1.43 0.00 0.00 31.44 33.03 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 3.81 2.67 -1.84 0.00 -1.24 -4.66 105.19 103.93 1ncu n GLY 79 Ca -0.03 -2.28 -0.04 0.00 0.00 0.00 0.00 46.02 43.68 1ncu n GLY 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ncu n LYS 80 N -0.71 0.10 -4.56 1.61 0.00 -1.24 -3.55 118.16 109.81 1ncu n LYS 80 Ca -0.11 -0.75 -0.29 0.00 0.00 0.00 0.00 58.31 57.16 1ncu n LYS 80 Cb 0.37 0.08 -0.08 0.00 0.00 0.00 0.00 35.03 35.39 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 0.79 2.11 0.15 1.64 0.74 -0.62 -4.98 119.66 119.48 1ncu s GLN 81 Ca 0.24 -2.18 -0.01 0.00 0.05 0.00 0.00 55.36 53.46 1ncu s GLN 81 Cb 0.15 -1.68 0.00 0.00 1.10 0.00 0.00 33.01 32.59 1ncu s GLN 81 CO -0.10 -0.22 0.21 -0.85 -0.55 0.00 0.00 175.29 173.77 1ncu n GLU 82 N -1.18 0.30 -3.44 1.67 -0.00 -1.26 0.52 120.64 117.25 1ncu n GLU 82 Ca -0.10 -1.17 -0.18 0.00 -0.00 0.00 0.00 57.16 55.71 1ncu n GLU 82 Cb 0.66 1.13 -0.11 0.00 -0.00 0.00 0.00 31.44 33.13 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 -2.07 -0.36 -0.05 -1.84 0.00 0.04 -4.85 121.76 112.62 1ncu s ALA 83 Ca 0.12 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 1ncu s ALA 83 Cb -0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1ncu s ALA 83 CO 0.09 -1.47 0.56 -1.21 0.00 0.00 0.00 175.76 173.72 1ncu s GLU 84 N 2.34 4.32 0.29 0.00 0.41 -1.26 -2.19 118.70 122.62 1ncu s GLU 84 Ca 0.09 0.63 -0.01 0.00 -0.41 0.00 0.00 54.97 55.27 1ncu s GLU 84 Cb -0.15 -3.38 0.01 0.00 -1.78 0.00 0.00 34.13 28.82 1ncu s GLU 84 CO -0.23 0.27 0.40 1.97 -0.49 0.00 0.00 175.26 177.17 1ncu n PHE 85 N 3.18 -1.26 -3.67 1.61 1.16 -0.86 -4.99 117.46 112.63 1ncu n PHE 85 Ca -0.06 -1.98 -0.15 0.00 -1.87 0.00 0.00 57.45 53.39 1ncu n PHE 85 Cb 0.51 0.45 -0.14 0.00 -1.61 0.00 0.00 39.48 38.69 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 -2.77 -0.33 -0.51 1.97 -4.23 -1.25 -1.66 115.64 106.86 1ncu s THR 86 Ca 0.25 0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 60.97 1ncu s THR 86 Cb -0.01 -0.38 0.13 0.00 1.34 0.00 0.00 72.50 73.59 1ncu s THR 86 CO 0.18 0.13 0.39 -0.76 -0.54 0.00 0.00 174.62 174.01 1ncu s LEU 87 N 2.31 5.77 0.51 4.79 1.02 0.80 -2.04 118.68 131.85 1ncu s LEU 87 Ca 0.01 -2.01 -0.03 0.00 0.02 0.00 0.00 54.13 52.12 1ncu s LEU 87 Cb -0.12 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.06 1ncu s LEU 87 CO -0.07 -0.68 0.78 -0.89 0.02 0.00 0.00 176.35 175.51 1ncu s THR 88 N 1.22 3.97 0.03 5.49 2.01 -0.87 -3.88 115.64 123.60 1ncu s THR 88 Ca 0.07 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 1ncu s THR 88 Cb -0.25 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1ncu s THR 88 CO -0.01 -0.46 -0.03 0.27 -0.69 0.00 0.00 174.62 173.71 1ncu s ILE 89 N -2.77 0.13 -0.43 1.82 -5.25 -1.15 -1.69 121.20 111.87 1ncu s ILE 89 Ca 0.51 -1.09 0.10 0.00 -0.99 0.00 0.00 60.65 59.17 1ncu s ILE 89 Cb -0.10 -0.53 0.40 0.00 2.95 0.00 0.00 42.46 45.18 1ncu s ILE 89 CO 0.42 -0.60 0.95 0.00 -1.79 0.00 0.00 174.94 173.92 1ncu n GLN 90 N 1.29 2.28 0.00 0.37 1.13 -0.59 -4.92 117.38 116.94 1ncu n GLN 90 Ca -0.22 -4.03 0.00 0.00 -1.94 0.00 0.00 57.00 50.81 1ncu n GLN 90 Cb 0.56 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79