#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 3.26 -0.00 4.33 4.76 -1.26 -4.52 118.16 124.72 1ncu n LYS -5 Ca 0.00 -3.38 0.06 0.00 -2.87 0.00 0.00 58.31 52.12 1ncu n LYS -5 Cb 0.00 -3.24 -0.09 0.00 -1.84 0.00 0.00 35.03 29.86 1ncu n LYS -5 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1ncu n THR -4 N 5.19 0.00 -2.61 -0.18 -1.04 -1.26 -4.97 114.28 109.41 1ncu n THR -4 Ca 0.44 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.05 62.13 1ncu n THR -4 Cb 0.42 0.61 -0.01 0.00 -1.82 0.00 0.00 70.33 69.53 1ncu n THR -4 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1ncu n THR -3 N -1.62 0.00 -3.13 12.58 5.66 -1.26 -4.86 114.28 121.64 1ncu n THR -3 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1ncu n THR -3 Cb 0.27 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 -4.77 3.68 0.00 1.09 2.96 -1.26 -4.92 118.68 115.46 1ncu s LEU -2 Ca 0.14 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1ncu s LEU -2 Cb -0.08 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 43.99 1ncu s LEU -2 CO 0.17 -0.70 0.00 0.00 -1.32 0.00 0.00 176.35 174.50 1ncu n ALA -1 N -1.79 0.00 -3.67 5.97 0.00 -1.26 -1.23 120.51 118.53 1ncu n ALA -1 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1ncu n ALA -1 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 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 -4.23 -1.12 -0.14 0.00 0.00 -1.26 -3.06 121.76 111.95 1ncu s ALA 0 Ca 0.00 1.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 1ncu s ALA 0 Cb 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.97 1ncu s ALA 0 CO 0.00 -0.60 0.37 -0.98 0.00 0.00 0.00 175.76 174.55 1ncu s ARG 1 N 2.22 0.40 -0.14 0.00 1.04 -0.84 -3.99 118.95 117.63 1ncu s ARG 1 Ca -0.04 0.58 -0.21 0.00 -1.04 0.00 0.00 55.73 55.02 1ncu s ARG 1 Cb -0.11 0.12 -0.03 0.00 -2.04 0.00 0.00 34.95 32.89 1ncu s ARG 1 CO -0.13 -0.09 0.61 0.42 -0.04 0.00 0.00 175.30 176.07 1ncu s ILE 2 N 0.58 5.07 -0.20 4.99 1.01 -1.26 -1.68 121.20 129.70 1ncu s ILE 2 Ca -0.03 1.19 -0.21 0.00 0.00 0.00 0.00 60.65 61.59 1ncu s ILE 2 Cb -0.05 -3.93 -0.19 0.00 0.01 0.00 0.00 42.46 38.30 1ncu s ILE 2 CO -0.03 0.20 0.22 0.25 0.00 0.00 0.00 174.94 175.58 1ncu h LEU 3 N 7.43 0.00 -8.06 2.97 6.46 -1.54 -3.48 115.31 119.09 1ncu h LEU 3 Ca -0.36 -0.51 -0.41 0.00 -0.12 0.00 0.00 57.88 56.48 1ncu h LEU 3 Cb 1.17 0.00 -0.29 0.00 -0.73 0.00 0.00 40.66 40.81 1ncu h LEU 3 CO 0.76 1.43 -0.78 -0.89 -0.62 0.00 0.00 178.44 178.33 1ncu s THR 4 N -2.35 0.77 0.55 1.05 2.01 -0.80 -4.96 115.64 111.92 1ncu s THR 4 Ca -0.28 -0.41 0.07 0.00 0.31 0.00 0.00 61.69 61.38 1ncu s THR 4 Cb 0.05 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 71.97 1ncu s THR 4 CO 0.58 0.22 0.52 -1.59 -0.69 0.00 0.00 174.62 173.66 1ncu s LYS 5 N -0.20 2.27 0.30 4.92 0.00 -1.26 -0.07 119.74 125.70 1ncu s LYS 5 Ca 0.03 -1.90 -0.08 0.00 0.00 0.00 0.00 55.97 54.02 1ncu s LYS 5 Cb -0.04 -2.27 -0.06 0.00 0.00 0.00 0.00 37.83 35.46 1ncu s LYS 5 CO -0.00 -0.69 0.62 -1.25 0.00 0.00 0.00 175.35 174.03 1ncu s PRO 6 N -4.40 3.75 0.44 1.78 0.04 -1.21 -4.44 135.00 130.96 1ncu s PRO 6 Ca 0.42 0.25 -0.03 0.00 0.04 0.00 0.00 61.00 61.68 1ncu s PRO 6 Cb -0.03 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1ncu s PRO 6 CO 0.27 0.18 0.72 -0.98 0.04 0.00 0.00 177.00 177.22 1ncu s ARG 7 N -3.37 3.49 0.10 4.56 1.70 -1.26 -4.78 118.95 119.40 1ncu s ARG 7 Ca 0.47 0.01 -0.01 0.00 -0.47 0.00 0.00 55.73 55.73 1ncu s ARG 7 Cb -0.11 -2.46 0.02 0.00 -0.57 0.00 0.00 34.95 31.83 1ncu s ARG 7 CO 0.27 -0.12 0.14 0.43 -1.08 0.00 0.00 175.30 174.94 1ncu n SER 8 N -2.13 0.04 -3.65 -2.89 7.64 -1.26 -4.82 113.62 106.55 1ncu n SER 8 Ca -0.01 -1.07 0.01 0.00 1.01 0.00 0.00 58.87 58.81 1ncu n SER 8 Cb 0.56 -0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -3.18 0.58 -0.18 1.43 1.75 -0.82 -4.95 119.30 113.93 1ncu s MET 9 Ca 0.08 -0.34 -0.09 0.00 -1.25 0.00 0.00 55.69 54.09 1ncu s MET 9 Cb -0.00 0.19 0.07 0.00 2.84 0.00 0.00 34.83 37.92 1ncu s MET 9 CO 0.06 -0.27 0.43 0.99 -0.65 0.00 0.00 175.02 175.58 1ncu s THR 10 N -2.44 -0.16 0.31 10.11 2.01 -1.26 -2.38 115.64 121.82 1ncu s THR 10 Ca 0.17 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.32 1ncu s THR 10 Cb 0.02 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1ncu s THR 10 CO -0.02 0.04 0.31 1.33 -0.69 0.00 0.00 174.62 175.60 1ncu n VAL 11 N 4.52 0.00 0.24 3.82 0.24 -0.65 -4.95 118.33 121.54 1ncu n VAL 11 Ca -0.20 -2.09 0.12 0.00 -2.04 0.00 0.00 64.34 60.13 1ncu n VAL 11 Cb 0.54 1.10 0.04 0.00 -1.47 0.00 0.00 33.84 34.05 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 1.98 0.00 0.00 6.34 3.20 -1.83 -3.03 116.97 123.63 1ncu h TYR 12 Ca -0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1ncu h TYR 12 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1ncu h TYR 12 CO 0.00 0.00 0.00 -0.85 -1.64 0.00 0.00 178.16 175.67 1ncu n GLU 13 N -2.52 0.00 -1.85 1.82 0.28 -1.26 0.14 120.64 117.25 1ncu n GLU 13 Ca 0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.65 1ncu n GLU 13 Cb 0.52 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.37 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 4.98 0.00 -1.84 0.00 -1.21 -4.73 105.19 102.39 1ncu n GLY 14 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 1.49 0.00 0.00 1.61 -0.58 -1.26 -4.01 120.64 117.88 1ncu n GLU 15 Ca 0.59 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1ncu n GLU 15 Cb 0.33 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 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 -0.06 0.00 -4.63 1.62 2.88 -1.22 -4.64 113.62 107.58 1ncu n SER 16 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 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 3.60 0.01 -1.46 0.00 -1.12 -4.92 121.76 117.87 1ncu s ALA 17 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1ncu s ALA 17 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1ncu s ALA 17 CO 0.00 -0.76 0.18 -0.98 0.00 0.00 0.00 175.76 174.21 1ncu s ARG 18 N 2.38 3.42 0.05 0.00 1.70 -1.26 -1.98 118.95 123.26 1ncu s ARG 18 Ca 0.26 -0.36 0.01 0.00 -0.47 0.00 0.00 55.73 55.17 1ncu s ARG 18 Cb -0.16 -3.07 -0.03 0.00 -0.57 0.00 0.00 34.95 31.12 1ncu s ARG 18 CO 0.09 0.66 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.85 1ncu s PHE 19 N -1.36 0.60 -0.19 5.89 0.08 0.14 -4.84 117.98 118.30 1ncu s PHE 19 Ca 0.29 -0.73 -0.09 0.00 0.12 0.00 0.00 56.93 56.52 1ncu s PHE 19 Cb -0.13 -0.38 0.07 0.00 -0.57 0.00 0.00 43.02 42.01 1ncu s PHE 19 CO 0.21 -0.18 0.43 0.45 -0.10 0.00 0.00 175.22 176.03 1ncu s SER 20 N -2.20 -0.47 -0.15 1.36 0.15 -1.26 -0.90 113.70 110.24 1ncu s SER 20 Ca -0.02 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.60 1ncu s SER 20 Cb -0.02 1.00 0.02 0.00 -1.71 0.00 0.00 66.02 65.31 1ncu s SER 20 CO -0.03 -0.21 -0.15 0.00 1.20 0.00 0.00 173.24 174.04 1ncu s ASP 22 N 1.36 6.37 -0.09 0.00 1.01 0.90 -1.54 116.67 124.68 1ncu s ASP 22 Ca 0.03 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.25 1ncu s ASP 22 Cb -0.13 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1ncu s ASP 22 CO -0.09 -0.64 -0.16 0.42 0.21 0.00 0.00 175.17 174.91 1ncu s THR 23 N 2.69 2.85 0.34 -1.27 -4.23 0.11 -1.28 115.64 114.86 1ncu s THR 23 Ca 0.23 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1ncu s THR 23 Cb -0.14 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 1ncu s THR 23 CO 0.16 0.56 0.29 -1.81 -0.54 0.00 0.00 174.62 173.27 1ncu s ASP 24 N -0.08 5.21 0.00 3.99 1.01 -0.68 -4.06 116.67 122.06 1ncu s ASP 24 Ca -0.03 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.69 1ncu s ASP 24 Cb -0.14 -0.91 0.00 0.00 1.01 0.00 0.00 42.92 42.88 1ncu s ASP 24 CO 0.04 -0.38 0.00 0.61 0.21 0.00 0.00 175.17 175.65 1ncu n GLY 25 N -1.37 3.94 3.82 0.21 0.00 -1.26 -1.99 105.19 108.54 1ncu n GLY 25 Ca -0.01 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1ncu n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ncu s GLU 26 N -1.01 3.29 0.02 1.61 2.56 -0.37 -2.62 118.70 122.17 1ncu s GLU 26 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 54.97 54.53 1ncu s GLU 26 Cb 0.00 -3.05 -0.19 0.00 2.00 0.00 0.00 34.13 32.89 1ncu s GLU 26 CO 0.00 0.75 1.21 -1.00 -0.56 0.00 0.00 175.26 175.66 1ncu h PRO 27 N 4.98 0.37 -3.09 4.30 0.13 -1.87 -3.40 132.00 133.43 1ncu h PRO 27 Ca -0.53 -0.29 -0.17 0.00 -0.87 0.00 0.00 66.00 64.13 1ncu h PRO 27 Cb 1.22 0.05 -0.27 0.00 0.13 0.00 0.00 31.00 32.13 1ncu h PRO 27 CO 0.57 0.92 -0.45 0.08 -0.23 0.00 0.00 178.00 178.89 1ncu s VAL 28 N -3.72 -0.01 0.75 1.56 1.01 -1.08 -4.92 120.40 113.99 1ncu s VAL 28 Ca -0.14 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1ncu s VAL 28 Cb 0.04 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 36.11 1ncu s VAL 28 CO 0.78 0.02 1.12 -2.16 0.00 0.00 0.00 175.10 174.86 1ncu s PRO 29 N 0.56 2.35 0.05 2.72 0.04 -1.22 -4.56 135.00 134.94 1ncu s PRO 29 Ca -0.04 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1ncu s PRO 29 Cb -0.05 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1ncu s PRO 29 CO -0.03 -1.32 0.01 -2.37 0.04 0.00 0.00 177.00 173.33 1ncu n THR 30 N -3.13 0.00 -3.74 1.26 5.66 -0.63 -4.88 114.28 108.82 1ncu n THR 30 Ca 0.07 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 60.66 1ncu n THR 30 Cb 0.59 0.09 -0.10 0.00 -1.55 0.00 0.00 70.33 69.37 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 -1.62 0.02 -0.24 1.08 0.11 -1.26 -3.97 120.40 114.51 1ncu s VAL 31 Ca 0.02 -0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 1ncu s VAL 31 Cb 0.00 -0.58 0.11 0.00 -1.53 0.00 0.00 36.38 34.37 1ncu s VAL 31 CO 0.01 -0.08 0.23 -0.89 -3.33 0.00 0.00 175.10 171.04 1ncu s THR 32 N -0.35 -0.32 -0.43 5.04 2.01 -1.15 -4.99 115.64 115.45 1ncu s THR 32 Ca -0.05 -0.29 -0.24 0.00 0.31 0.00 0.00 61.69 61.42 1ncu s THR 32 Cb -0.03 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1ncu s THR 32 CO 0.02 -0.34 0.82 0.26 -0.69 0.00 0.00 174.62 174.70 1ncu s TRP 33 N 2.31 3.00 -0.02 4.92 0.52 -1.26 -0.57 118.94 127.85 1ncu s TRP 33 Ca 0.08 0.32 -0.23 0.00 0.02 0.00 0.00 56.10 56.28 1ncu s TRP 33 Cb -0.15 -3.68 0.05 0.00 -1.15 0.00 0.00 33.47 28.54 1ncu s TRP 33 CO -0.21 -0.95 0.51 -0.48 0.02 0.00 0.00 176.95 175.83 1ncu s LEU 34 N 3.36 0.04 -0.46 2.99 2.34 0.23 0.24 118.68 127.43 1ncu s LEU 34 Ca 0.32 0.38 0.06 0.00 0.06 0.00 0.00 54.13 54.95 1ncu s LEU 34 Cb -0.12 1.96 0.19 0.00 -0.56 0.00 0.00 46.19 47.66 1ncu s LEU 34 CO 0.22 -0.56 0.72 -0.60 -1.06 0.00 0.00 176.35 175.08 1ncu s ARG 35 N -1.43 0.90 -1.34 1.48 6.06 -1.26 -3.12 118.95 120.24 1ncu s ARG 35 Ca -0.11 -0.67 0.00 0.00 -2.50 0.00 0.00 55.73 52.44 1ncu s ARG 35 Cb -0.02 0.01 0.00 0.00 0.06 0.00 0.00 34.95 35.00 1ncu s ARG 35 CO 0.06 -1.18 0.00 1.17 -2.50 0.00 0.00 175.30 172.85 1ncu n LYS 36 N 3.52 -1.47 -0.90 5.12 4.81 -1.26 -4.71 118.16 123.26 1ncu n LYS 36 Ca 0.14 0.75 0.05 0.00 -0.87 0.00 0.00 58.31 58.38 1ncu n LYS 36 Cb 0.57 -5.07 0.09 0.00 0.02 0.00 0.00 35.03 30.65 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 -0.37 2.66 5.67 3.14 0.00 -1.26 -5.04 105.19 110.00 1ncu n GLY 37 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.30 0.00 -3.88 1.61 0.00 -1.26 -4.72 117.38 108.82 1ncu n GLN 38 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 57.02 1ncu n GLN 38 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 31.10 1ncu n GLN 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1ncu s VAL 39 N 0.00 0.00 -0.01 1.69 -7.23 -1.26 -4.66 120.40 108.93 1ncu s VAL 39 Ca 0.00 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1ncu s VAL 39 Cb 0.00 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1ncu s VAL 39 CO 0.00 0.00 0.02 0.18 -0.31 0.00 0.00 175.10 174.99 1ncu n LEU 40 N -0.47 0.00 -4.53 1.32 4.32 0.14 -4.76 117.00 113.01 1ncu n LEU 40 Ca -0.05 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.64 1ncu n LEU 40 Cb 0.60 0.02 -0.10 0.00 -1.62 0.00 0.00 43.42 42.33 1ncu n LEU 40 CO 0.20 0.02 1.90 -1.54 -1.22 0.00 0.00 177.39 176.76 1ncu n SER 41 N -1.88 1.19 -3.38 -1.43 3.41 -1.26 -3.42 113.62 106.85 1ncu n SER 41 Ca -0.02 -0.57 -0.24 0.00 -0.26 0.00 0.00 58.87 57.78 1ncu n SER 41 Cb 0.37 -1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 62.97 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 7.72 -0.15 0.36 6.66 -2.24 -1.25 -4.79 114.28 120.60 1ncu n THR 42 Ca 0.51 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 62.02 1ncu n THR 42 Cb 0.34 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.55 -1.29 0.00 3.42 0.87 -1.75 -3.44 113.55 110.81 1ncu h SER 43 Ca -0.37 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1ncu h SER 43 Cb 0.83 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1ncu h SER 43 CO 0.51 -0.70 -0.02 0.00 -0.53 0.00 0.00 176.83 176.09 1ncu n ALA 44 N -2.76 -1.41 0.00 6.23 0.00 -1.26 -4.99 120.51 116.31 1ncu n ALA 44 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1ncu n ALA 44 Cb 0.48 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.05 0.00 -3.71 0.00 1.85 -1.26 -4.98 116.66 108.51 1ncu n ARG 45 Ca -0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.60 1ncu n ARG 45 Cb 0.40 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.79 1ncu n ARG 45 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1ncu n HIS 46 N -0.05 -0.03 -3.75 2.89 1.44 -1.26 -1.91 115.22 112.55 1ncu n HIS 46 Ca 0.00 -1.94 -0.12 0.00 -2.01 0.00 0.00 57.72 53.65 1ncu n HIS 46 Cb 0.00 -0.32 -0.12 0.00 0.12 0.00 0.00 29.99 29.66 1ncu n HIS 46 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1ncu s GLN 47 N -3.68 0.25 0.26 -1.40 -0.44 -1.01 -3.74 119.66 109.91 1ncu s GLN 47 Ca 0.14 0.49 0.04 0.00 -2.50 0.00 0.00 55.36 53.53 1ncu s GLN 47 Cb -0.01 -0.02 -0.06 0.00 -1.64 0.00 0.00 33.01 31.28 1ncu s GLN 47 CO 0.09 -0.12 -0.00 0.54 0.50 0.00 0.00 175.29 176.30 1ncu s VAL 48 N 0.87 1.23 0.07 1.34 0.11 -1.26 -1.88 120.40 120.88 1ncu s VAL 48 Ca -0.06 -2.05 -0.14 0.00 -2.93 0.00 0.00 61.98 56.80 1ncu s VAL 48 Cb -0.07 -2.47 0.02 0.00 -1.53 0.00 0.00 36.38 32.33 1ncu s VAL 48 CO -0.06 -0.24 0.33 0.28 -3.33 0.00 0.00 175.10 172.08 1ncu s THR 49 N -3.29 0.08 0.07 5.04 -1.32 -0.65 -4.78 115.64 110.80 1ncu s THR 49 Ca 0.31 -0.69 0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1ncu s THR 49 Cb 0.06 -1.07 -0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1ncu s THR 49 CO 0.11 -0.38 -0.11 0.42 -2.21 0.00 0.00 174.62 172.45 1ncu s THR 50 N -3.08 0.88 0.00 5.08 -4.23 -1.26 -2.02 115.64 111.01 1ncu s THR 50 Ca -0.01 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1ncu s THR 50 Cb 0.01 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1ncu s THR 50 CO -0.07 -0.39 0.00 0.41 -0.54 0.00 0.00 174.62 174.03 1ncu n THR 51 N 1.07 0.00 0.00 3.99 -1.04 -0.49 -4.97 114.28 112.83 1ncu n THR 51 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1ncu n THR 51 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 -0.81 -2.82 4.76 -1.26 -4.14 118.16 113.89 1ncu n LYS 52 Ca 0.00 0.51 0.06 0.00 -2.87 0.00 0.00 58.31 56.01 1ncu n LYS 52 Cb 0.00 -1.33 0.15 0.00 -1.84 0.00 0.00 35.03 32.01 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 -1.79 0.00 -3.68 2.13 4.02 -1.26 -4.25 117.16 112.32 1ncu n TYR 53 Ca 0.00 -1.18 -0.10 0.00 -0.01 0.00 0.00 57.90 56.61 1ncu n TYR 53 Cb 0.00 -0.21 -0.11 0.00 -0.02 0.00 0.00 39.34 39.00 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 -2.29 0.33 0.41 -0.72 -2.85 -1.26 0.06 119.74 113.43 1ncu s LYS 54 Ca 0.36 0.83 0.07 0.00 -1.00 0.00 0.00 55.97 56.23 1ncu s LYS 54 Cb 0.36 0.06 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 1ncu s LYS 54 CO -0.09 -0.20 0.21 0.45 0.10 0.00 0.00 175.35 175.83 1ncu s SER 55 N 1.81 4.52 -0.15 0.03 0.15 -0.59 -1.39 113.70 118.08 1ncu s SER 55 Ca -0.06 -1.02 -0.13 0.00 0.70 0.00 0.00 55.95 55.43 1ncu s SER 55 Cb -0.10 -0.50 0.04 0.00 -1.71 0.00 0.00 66.02 63.76 1ncu s SER 55 CO -0.12 -0.56 0.39 0.42 1.20 0.00 0.00 173.24 174.57 1ncu s THR 56 N -2.58 -0.00 -0.09 6.45 -4.23 -0.86 -1.41 115.64 112.93 1ncu s THR 56 Ca 0.42 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.97 1ncu s THR 56 Cb 0.03 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.33 1ncu s THR 56 CO 0.23 0.01 -0.17 0.12 -0.54 0.00 0.00 174.62 174.27 1ncu s PHE 57 N 0.37 1.97 0.02 3.99 5.36 -0.07 -1.63 117.98 127.99 1ncu s PHE 57 Ca -0.01 -0.80 0.04 0.00 -0.96 0.00 0.00 56.93 55.20 1ncu s PHE 57 Cb -0.04 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.25 1ncu s PHE 57 CO -0.01 -0.37 -0.12 -1.83 -1.46 0.00 0.00 175.22 171.43 1ncu s GLU 58 N 0.59 0.87 -0.07 10.12 4.04 -0.79 0.23 118.70 133.70 1ncu s GLU 58 Ca -0.15 -0.64 0.04 0.00 0.04 0.00 0.00 54.97 54.26 1ncu s GLU 58 Cb -0.17 -0.85 0.00 0.00 0.02 0.00 0.00 34.13 33.14 1ncu s GLU 58 CO 0.05 0.21 -0.19 0.42 -1.84 0.00 0.00 175.26 173.92 1ncu s ILE 59 N -0.71 1.61 0.00 1.83 1.01 -0.84 -2.40 121.20 121.70 1ncu s ILE 59 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1ncu s ILE 59 Cb -0.07 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1ncu s ILE 59 CO 0.01 0.46 0.23 -1.20 0.00 0.00 0.00 174.94 174.43 1ncu n SER 60 N 3.42 0.00 0.00 3.58 7.64 -1.26 -2.79 113.62 124.21 1ncu n SER 60 Ca -0.20 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1ncu n SER 60 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -4.46 6.43 2.88 -1.15 -4.45 113.62 113.04 1ncu n SER 61 Ca 0.00 -0.52 -0.47 0.00 -1.33 0.00 0.00 58.87 56.55 1ncu n SER 61 Cb 0.50 0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.26 1.92 0.00 2.46 3.14 -0.80 -4.71 118.33 120.07 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 0.06 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 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 0.96 0.00 -0.74 1.45 6.02 -1.26 -3.32 117.38 120.48 1ncu n GLN 63 Ca 0.16 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1ncu n GLN 63 Cb 0.26 -0.35 -0.04 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 -1.34 2.00 -2.71 -1.58 0.00 -1.26 -4.75 120.51 110.87 1ncu n ALA 64 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1ncu n ALA 64 Cb 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 19.45 19.26 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 0.00 0.22 -0.61 0.00 2.88 -1.26 -4.89 113.62 109.96 1ncu n SER 65 Ca -0.15 -2.69 0.06 0.00 -1.33 0.00 0.00 58.87 54.75 1ncu n SER 65 Cb 0.52 0.03 0.16 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.18 2.99 -0.92 -3.46 9.92 -1.26 -5.09 116.55 118.55 1ncu n ASP 66 Ca 0.06 -2.18 0.03 0.00 -0.53 0.00 0.00 54.79 52.17 1ncu n ASP 66 Cb 0.81 -0.27 -0.01 0.00 -0.64 0.00 0.00 41.12 41.02 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 0.22 -0.40 -0.02 -1.24 1.02 -1.26 -4.68 120.64 114.28 1ncu n GLU 67 Ca 0.12 0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 57.51 1ncu n GLU 67 Cb 0.49 -0.49 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ncu n GLY 68 N -0.59 -0.26 3.68 0.62 0.00 -1.24 -3.90 105.19 103.50 1ncu n GLY 68 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.41 6.39 0.03 1.61 3.84 -1.26 0.31 114.94 122.45 1ncu s ASN 69 Ca -0.02 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.50 1ncu s ASN 69 Cb 0.02 -2.20 -0.02 0.00 -0.55 0.00 0.00 41.25 38.50 1ncu s ASN 69 CO 0.22 -0.02 -0.04 -0.31 -2.79 0.00 0.00 177.10 174.17 1ncu s TYR 70 N 1.09 0.36 0.17 0.43 2.02 -0.59 -4.76 117.35 116.07 1ncu s TYR 70 Ca 0.17 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1ncu s TYR 70 Cb -0.14 -0.24 -0.01 0.00 -0.40 0.00 0.00 41.96 41.16 1ncu s TYR 70 CO 0.07 -0.17 0.13 -1.13 -1.57 0.00 0.00 175.55 172.88 1ncu n SER 71 N 1.54 -0.19 -3.47 2.29 3.41 -1.18 -2.52 113.62 113.50 1ncu n SER 71 Ca -0.24 -2.09 -0.18 0.00 -0.26 0.00 0.00 58.87 56.10 1ncu n SER 71 Cb 0.55 0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 65.17 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 -0.33 -0.61 -3.33 0.11 -0.84 -0.60 120.40 112.17 1ncu s VAL 72 Ca 0.19 -0.21 -0.22 0.00 -2.93 0.00 0.00 61.98 58.80 1ncu s VAL 72 Cb 0.01 -0.75 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 1ncu s VAL 72 CO 0.13 -0.28 0.88 0.68 -3.33 0.00 0.00 175.10 173.19 1ncu s VAL 73 N 2.33 4.47 -0.30 2.04 -7.23 0.26 -1.18 120.40 120.79 1ncu s VAL 73 Ca 0.08 -0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.70 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 -0.17 -1.27 0.68 0.54 -0.31 0.00 0.00 175.10 174.57 1ncu s VAL 74 N 3.68 4.90 0.44 1.32 0.11 0.13 -2.92 120.40 128.05 1ncu s VAL 74 Ca 0.21 1.00 0.03 0.00 -2.93 0.00 0.00 61.98 60.29 1ncu s VAL 74 Cb -0.17 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 1ncu s VAL 74 CO 0.12 -0.16 0.05 -1.61 -3.33 0.00 0.00 175.10 170.17 1ncu s GLU 75 N 2.71 2.01 0.20 1.54 2.02 -1.26 -1.87 118.70 124.05 1ncu s GLU 75 Ca 0.28 -2.23 -0.13 0.00 0.02 0.00 0.00 54.97 52.90 1ncu s GLU 75 Cb -0.15 -1.20 0.05 0.00 0.10 0.00 0.00 34.13 32.93 1ncu s GLU 75 CO 0.12 -0.32 0.66 -1.71 0.02 0.00 0.00 175.26 174.03 1ncu n ASN 76 N -1.16 -1.43 -0.42 -0.19 2.85 -0.93 -1.61 115.26 112.38 1ncu n ASN 76 Ca -0.11 -1.87 0.32 0.00 -0.11 0.00 0.00 54.58 52.81 1ncu n ASN 76 Cb 0.66 2.35 0.50 0.00 1.24 0.00 0.00 39.78 44.53 1ncu n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ncu n SER 77 N -1.22 0.03 0.00 1.20 3.41 -1.26 -3.15 113.62 112.62 1ncu n SER 77 Ca -0.04 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1ncu n SER 77 Cb 0.42 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 -3.35 0.00 -3.95 4.33 0.00 -1.26 -5.11 120.64 111.31 1ncu n GLU 78 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.22 1ncu n GLU 78 Cb 1.21 -0.01 -0.04 0.00 0.00 0.00 0.00 31.44 32.59 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 0.00 1.57 -0.25 -1.84 0.00 -1.19 -4.74 107.32 100.87 1ncu s GLY 79 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 1ncu s GLY 79 CO 0.00 -1.50 0.31 1.25 0.00 0.00 0.00 173.10 173.17 1ncu s LYS 80 N -3.93 0.30 0.23 2.90 2.47 -1.26 -2.19 119.74 118.27 1ncu s LYS 80 Ca 0.37 0.22 -0.06 0.00 -1.56 0.00 0.00 55.97 54.94 1ncu s LYS 80 Cb -0.07 -0.72 -0.02 0.00 -1.46 0.00 0.00 37.83 35.55 1ncu s LYS 80 CO 0.26 -0.78 0.31 -1.14 0.16 0.00 0.00 175.35 174.16 1ncu s GLN 81 N 2.43 1.42 0.35 4.03 0.74 -0.78 -5.02 119.66 122.83 1ncu s GLN 81 Ca 0.10 -1.49 -0.04 0.00 0.05 0.00 0.00 55.36 53.98 1ncu s GLN 81 Cb -0.15 0.37 0.02 0.00 1.10 0.00 0.00 33.01 34.35 1ncu s GLN 81 CO -0.21 -0.54 0.53 -0.85 -0.55 0.00 0.00 175.29 173.68 1ncu n GLU 82 N -0.35 0.76 -4.12 1.67 0.28 -1.26 0.17 120.64 117.79 1ncu n GLU 82 Ca 0.01 -2.63 -0.11 0.00 -0.16 0.00 0.00 57.16 54.27 1ncu n GLU 82 Cb 0.64 2.64 -0.10 0.00 1.43 0.00 0.00 31.44 36.05 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 -2.63 0.75 0.09 -1.84 0.00 -0.33 -4.89 121.76 112.92 1ncu s ALA 83 Ca 0.26 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 51.15 1ncu s ALA 83 Cb -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1ncu s ALA 83 CO 0.19 -0.19 -0.17 -1.21 0.00 0.00 0.00 175.76 174.38 1ncu s GLU 84 N -3.11 0.97 0.13 0.00 0.41 -1.26 -1.98 118.70 113.85 1ncu s GLU 84 Ca 0.04 -1.07 -0.24 0.00 -0.41 0.00 0.00 54.97 53.28 1ncu s GLU 84 Cb 0.01 -1.07 0.08 0.00 -1.78 0.00 0.00 34.13 31.37 1ncu s GLU 84 CO -0.04 0.24 1.10 -0.59 -0.49 0.00 0.00 175.26 175.48 1ncu s PHE 85 N -1.33 0.05 -0.08 1.61 -0.12 -1.05 -4.88 117.98 112.19 1ncu s PHE 85 Ca 0.03 -0.37 -0.03 0.00 -0.05 0.00 0.00 56.93 56.51 1ncu s PHE 85 Cb -0.09 0.66 0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1ncu s PHE 85 CO 0.03 -0.75 0.15 0.95 -0.05 0.00 0.00 175.22 175.56 1ncu s THR 86 N -2.19 -0.20 -0.28 -4.49 -4.23 -1.26 -1.54 115.64 101.44 1ncu s THR 86 Ca 0.23 0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1ncu s THR 86 Cb -0.02 -0.27 0.02 0.00 1.34 0.00 0.00 72.50 73.57 1ncu s THR 86 CO 0.03 0.13 0.02 -0.76 -0.54 0.00 0.00 174.62 173.51 1ncu s LEU 87 N 2.00 3.65 0.36 4.79 1.02 0.93 -1.94 118.68 129.50 1ncu s LEU 87 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 54.13 53.36 1ncu s LEU 87 Cb -0.12 -1.78 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 1ncu s LEU 87 CO -0.06 -0.19 0.34 -0.89 0.02 0.00 0.00 176.35 175.58 1ncu s THR 88 N 1.40 3.32 0.00 5.49 2.01 -1.00 -3.62 115.64 123.23 1ncu s THR 88 Ca 0.00 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.69 1ncu s THR 88 Cb -0.17 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1ncu s THR 88 CO -0.00 -0.12 0.00 2.30 -0.69 0.00 0.00 174.62 176.11 1ncu n ILE 89 N -1.47 0.00 -0.56 1.82 -0.00 -1.21 -1.64 119.36 116.31 1ncu n ILE 89 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.67 1ncu n ILE 89 Cb 0.60 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 40.16 1ncu n ILE 89 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1ncu n GLN 90 N 0.00 0.00 -0.19 6.28 -0.06 0.38 -4.23 117.38 119.56 1ncu n GLN 90 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ncu n GLN 90 Cb 0.00 -0.38 0.00 0.00 -4.06 0.00 0.00 30.24 25.80 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03