#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9n n ALA 2 N 0.00 1.44 -0.16 -5.12 0.00 -1.26 -4.93 120.51 110.47 1d9n n ALA 2 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1d9n n ALA 2 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1d9n n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1d9n n GLU 3 N 2.52 0.00 -1.07 0.00 0.00 -1.26 -4.92 120.64 115.91 1d9n n GLU 3 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 57.16 57.33 1d9n n GLU 3 Cb 0.31 -0.48 -0.01 0.00 0.00 0.00 0.00 31.44 31.27 1d9n n GLU 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1d9n n ASP 4 N -2.27 0.14 -4.53 4.31 9.92 -1.26 -5.05 116.55 117.81 1d9n n ASP 4 Ca 0.00 -1.88 -0.22 0.00 -0.53 0.00 0.00 54.79 52.15 1d9n n ASP 4 Cb 0.00 -0.08 -0.14 0.00 -0.64 0.00 0.00 41.12 40.26 1d9n n ASP 4 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1d9n n TRP 5 N 0.21 0.65 -4.00 1.24 7.02 -1.26 -4.42 117.44 116.88 1d9n n TRP 5 Ca -0.05 0.05 -0.22 0.00 -1.02 0.00 0.00 57.50 56.25 1d9n n TRP 5 Cb 0.87 -1.74 -0.03 0.00 -2.42 0.00 0.00 31.31 27.99 1d9n n TRP 5 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 1d9n s LEU 6 N 7.90 4.19 0.14 -0.99 2.34 -0.98 -4.85 118.68 126.43 1d9n s LEU 6 Ca 1.14 0.00 -0.34 0.00 0.06 0.00 0.00 54.13 54.99 1d9n s LEU 6 Cb -0.56 -2.73 -0.16 0.00 -0.56 0.00 0.00 46.19 42.18 1d9n s LEU 6 CO 0.35 -0.04 1.26 -0.67 -1.06 0.00 0.00 176.35 176.18 1d9n n ASP 7 N -1.21 1.58 -4.48 1.48 -0.08 -1.26 -1.57 116.55 111.02 1d9n n ASP 7 Ca -0.08 1.13 -0.43 0.00 -1.51 0.00 0.00 54.79 53.89 1d9n n ASP 7 Cb 0.57 -1.22 -0.08 0.00 2.34 0.00 0.00 41.12 42.72 1d9n n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1d9n h PRO 9 N 8.76 0.18 -0.22 0.00 0.13 -1.88 -1.50 132.00 137.47 1d9n h PRO 9 Ca -0.27 -0.26 0.05 0.00 -0.87 0.00 0.00 66.00 64.66 1d9n h PRO 9 Cb 1.11 0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1d9n h PRO 9 CO 0.82 1.06 -0.42 0.00 -0.23 0.00 0.00 178.00 179.23 1d9n h ALA 10 N 0.83 -0.54 0.00 -0.56 0.00 -1.91 -3.27 119.26 113.81 1d9n h ALA 10 Ca -0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1d9n h ALA 10 Cb 1.74 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 20.34 1d9n h ALA 10 CO 0.16 -0.90 -0.57 -0.07 0.00 0.00 0.00 179.25 177.86 1d9n h LEU 11 N -0.44 0.00 0.00 0.00 3.38 -1.90 -3.47 115.31 112.88 1d9n h LEU 11 Ca 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1d9n h LEU 11 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1d9n h LEU 11 CO -0.45 0.93 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1d9n n GLY 12 N 1.60 -0.19 3.84 0.83 0.00 -0.56 -5.00 105.19 105.70 1d9n n GLY 12 Ca -0.13 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1d9n n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d9n s PRO 13 N -2.00 3.27 0.00 1.61 0.04 -1.26 -3.93 135.00 132.73 1d9n s PRO 13 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1d9n s PRO 13 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1d9n s PRO 13 CO 0.00 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1d9n n GLY 14 N -2.22 1.74 3.70 0.56 0.00 -1.26 -4.94 105.19 102.77 1d9n n GLY 14 Ca 0.07 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1d9n n GLY 14 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1d9n s TRP 15 N 0.00 2.56 -0.32 1.61 -0.00 -1.25 -4.16 118.94 117.37 1d9n s TRP 15 Ca 0.00 0.38 -0.08 0.00 -0.00 0.00 0.00 56.10 56.40 1d9n s TRP 15 Cb 0.00 -3.96 0.02 0.00 -0.00 0.00 0.00 33.47 29.53 1d9n s TRP 15 CO 0.00 -3.78 0.12 0.21 -0.00 0.00 0.00 176.95 173.50 1d9n s LYS 16 N 2.31 2.95 -0.32 5.86 2.47 -1.03 -1.58 119.74 130.40 1d9n s LYS 16 Ca 0.73 -0.97 -0.23 0.00 -1.56 0.00 0.00 55.97 53.94 1d9n s LYS 16 Cb -0.41 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.47 1d9n s LYS 16 CO 0.32 -0.55 0.77 0.50 0.16 0.00 0.00 175.35 176.56 1d9n s ARG 17 N 1.50 3.89 -0.02 4.03 3.52 -0.61 -2.34 118.95 128.92 1d9n s ARG 17 Ca 0.02 0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 55.98 1d9n s ARG 17 Cb -0.18 -3.75 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 1d9n s ARG 17 CO 0.04 -0.73 0.32 0.50 -0.81 0.00 0.00 175.30 174.62 1d9n s ARG 18 N 2.98 3.74 -0.21 5.12 3.52 0.11 -2.33 118.95 131.88 1d9n s ARG 18 Ca 0.31 0.19 -0.02 0.00 -0.13 0.00 0.00 55.73 56.09 1d9n s ARG 18 Cb -0.14 -3.17 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1d9n s ARG 18 CO 0.14 0.70 -0.10 -1.83 -0.81 0.00 0.00 175.30 173.40 1d9n s GLU 19 N -1.23 3.18 0.17 5.12 -1.05 -1.26 -1.85 118.70 121.79 1d9n s GLU 19 Ca 0.23 -0.73 0.08 0.00 -0.15 0.00 0.00 54.97 54.39 1d9n s GLU 19 Cb -0.15 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.64 1d9n s GLU 19 CO 0.12 -0.22 -0.16 0.08 0.95 0.00 0.00 175.26 176.02 1d9n s VAL 20 N 1.40 1.70 -1.18 1.83 1.01 -0.29 -4.67 120.40 120.20 1d9n s VAL 20 Ca 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1d9n s VAL 20 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1d9n s VAL 20 CO -0.07 -0.44 0.00 0.49 0.00 0.00 0.00 175.10 175.08 1d9n n PHE 21 N 0.08 -0.11 0.20 5.22 3.72 -1.26 -0.92 117.46 124.39 1d9n n PHE 21 Ca -0.12 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1d9n n PHE 21 Cb 0.58 -2.59 0.14 0.00 -0.94 0.00 0.00 39.48 36.68 1d9n n PHE 21 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1d9n h ARG 22 N 0.00 0.00 0.00 -1.08 2.43 -1.85 -3.17 114.38 110.71 1d9n h ARG 22 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1d9n h ARG 22 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1d9n h ARG 22 CO 0.33 0.04 0.00 1.63 -1.51 0.00 0.00 179.97 180.46 1d9n n LYS 23 N -3.07 0.00 0.00 0.20 5.02 -1.26 -4.96 118.16 114.09 1d9n n LYS 23 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1d9n n LYS 23 Cb 0.55 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 1d9n n LYS 23 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1d9n n SER 24 N -1.56 0.00 0.00 4.39 2.88 -1.26 -4.37 113.62 113.69 1d9n n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1d9n n SER 24 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1d9n n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d9n n GLY 25 N 0.00 0.87 0.00 0.46 0.00 -1.26 -5.15 105.19 100.11 1d9n n GLY 25 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1d9n n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d9n n ALA 26 N -3.00 0.00 -3.22 4.61 0.00 -1.26 -4.92 120.51 112.72 1d9n n ALA 26 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1d9n n ALA 26 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1d9n n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1d9n s THR 27 N 0.00 5.57 -0.47 0.00 2.01 -1.26 -4.78 115.64 116.71 1d9n s THR 27 Ca 0.00 -2.77 0.06 0.00 0.31 0.00 0.00 61.69 59.29 1d9n s THR 27 Cb 0.00 -4.64 0.28 0.00 0.01 0.00 0.00 72.50 68.16 1d9n s THR 27 CO 0.00 -1.25 0.98 0.00 -0.69 0.00 0.00 174.62 173.66 1d9n s GLY 29 N -1.50 -0.47 0.66 0.00 0.00 -1.26 -5.00 107.32 99.75 1d9n s GLY 29 Ca 0.28 2.62 0.32 0.00 0.00 0.00 0.00 44.72 47.93 1d9n s GLY 29 CO -0.14 3.50 1.99 0.07 0.00 0.00 0.00 173.10 178.52 1d9n h ARG 30 N 7.85 0.00 -3.71 2.90 -0.00 -1.96 -3.44 114.38 116.02 1d9n h ARG 30 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.81 1d9n h ARG 30 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 1d9n h ARG 30 CO 0.05 0.00 -0.81 -1.13 -0.00 0.00 0.00 179.97 178.08 1d9n n SER 31 N -2.98 -8.05 -4.87 0.08 3.41 -1.20 -4.90 113.62 95.12 1d9n n SER 31 Ca -0.02 1.16 -0.35 0.00 -0.26 0.00 0.00 58.87 59.40 1d9n n SER 31 Cb 0.35 -4.33 -0.05 0.00 -0.26 0.00 0.00 64.21 59.91 1d9n n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1d9n s ASP 32 N -0.93 6.63 -0.19 4.04 1.01 -0.10 -4.88 116.67 122.24 1d9n s ASP 32 Ca 0.00 0.76 -0.02 0.00 0.71 0.00 0.00 52.55 54.00 1d9n s ASP 32 Cb 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1d9n s ASP 32 CO 0.00 0.21 -0.11 -0.89 0.21 0.00 0.00 175.17 174.59 1d9n s THR 33 N -1.33 2.87 0.20 -1.27 2.01 -1.26 -1.14 115.64 115.71 1d9n s THR 33 Ca 0.30 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1d9n s THR 33 Cb -0.14 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1d9n s THR 33 CO 0.17 0.48 0.22 -0.31 -0.69 0.00 0.00 174.62 174.48 1d9n s TYR 34 N 1.25 3.25 -0.01 4.92 1.51 -0.77 -4.90 117.35 122.60 1d9n s TYR 34 Ca 0.03 -0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 1d9n s TYR 34 Cb -0.14 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1d9n s TYR 34 CO -0.05 0.51 -0.14 0.71 -1.11 0.00 0.00 175.55 175.47 1d9n s TYR 35 N -1.90 1.25 -0.08 2.71 1.51 -1.06 0.07 117.35 119.85 1d9n s TYR 35 Ca 0.33 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1d9n s TYR 35 Cb -0.09 -0.81 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1d9n s TYR 35 CO 0.26 -0.03 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.35 1d9n s GLN 36 N -0.29 2.29 1.15 -0.62 0.74 -0.99 -0.86 119.66 121.09 1d9n s GLN 36 Ca 0.05 -0.62 -0.18 0.00 0.05 0.00 0.00 55.36 54.66 1d9n s GLN 36 Cb -0.06 -1.80 0.26 0.00 1.10 0.00 0.00 33.01 32.52 1d9n s GLN 36 CO -0.00 0.10 1.11 -1.12 -0.55 0.00 0.00 175.29 174.83 1d9n s SER 37 N 0.50 1.33 0.00 6.67 0.01 0.11 -2.47 113.70 119.85 1d9n s SER 37 Ca -0.16 0.75 0.28 0.00 1.31 0.00 0.00 55.95 58.13 1d9n s SER 37 Cb -0.17 -1.09 1.61 0.00 0.21 0.00 0.00 66.02 66.58 1d9n s SER 37 CO 0.06 -3.88 2.02 -0.81 0.41 0.00 0.00 173.24 171.04 1d9n n PRO 38 N -4.62 0.72 -0.00 12.44 -0.04 -1.26 -2.99 135.00 139.25 1d9n n PRO 38 Ca 0.11 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1d9n n PRO 38 Cb 0.59 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1d9n n PRO 38 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1d9n n THR 39 N -1.10 0.00 0.00 0.52 -2.24 -1.26 -4.98 114.28 105.22 1d9n n THR 39 Ca 0.19 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1d9n n THR 39 Cb 0.14 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1d9n n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d9n n GLY 40 N 1.68 1.21 3.59 3.38 0.00 -1.16 -5.08 105.19 108.82 1d9n n GLY 40 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1d9n n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d9n s ASP 41 N -0.89 6.44 -0.23 1.61 2.15 -1.26 -4.77 116.67 119.72 1d9n s ASP 41 Ca 0.00 0.54 -0.13 0.00 0.43 0.00 0.00 52.55 53.38 1d9n s ASP 41 Cb 0.00 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1d9n s ASP 41 CO 0.00 -1.41 0.29 -0.13 -0.17 0.00 0.00 175.17 173.75 1d9n s ARG 42 N 4.83 4.10 0.32 4.34 0.52 -1.26 0.06 118.95 131.87 1d9n s ARG 42 Ca 0.53 -0.03 0.10 0.00 -0.52 0.00 0.00 55.73 55.81 1d9n s ARG 42 Cb -0.10 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.76 1d9n s ARG 42 CO 0.31 -0.03 -0.09 0.42 0.02 0.00 0.00 175.30 175.93 1d9n s ILE 43 N 1.31 2.47 0.00 1.52 1.09 -0.04 -5.00 121.20 122.55 1d9n s ILE 43 Ca 0.13 -2.17 0.00 0.00 -1.10 0.00 0.00 60.65 57.51 1d9n s ILE 43 Cb -0.14 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.64 1d9n s ILE 43 CO 0.07 -0.26 0.00 -1.14 -0.10 0.00 0.00 174.94 173.51 1d9n n ARG 44 N -0.80 2.27 -1.57 2.79 0.63 -1.26 -2.55 116.66 116.17 1d9n n ARG 44 Ca -0.05 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.59 1d9n n ARG 44 Cb 0.62 -0.83 0.10 0.00 0.45 0.00 0.00 32.46 32.80 1d9n n ARG 44 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1d9n s SER 45 N -1.71 4.22 -0.08 6.15 0.01 -1.26 -4.93 113.70 116.10 1d9n s SER 45 Ca 0.00 1.18 -0.04 0.00 1.31 0.00 0.00 55.95 58.41 1d9n s SER 45 Cb 0.00 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1d9n s SER 45 CO 0.00 -2.13 -0.07 0.50 0.41 0.00 0.00 173.24 171.95 1d9n h LYS 46 N -1.20 0.00 0.00 12.44 3.64 -1.97 -3.24 116.57 126.24 1d9n h LYS 46 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1d9n h LYS 46 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1d9n h LYS 46 CO 0.60 0.00 0.00 0.28 -2.27 0.00 0.00 179.45 178.06 1d9n h VAL 47 N -0.62 0.00 -0.07 2.00 2.07 -1.95 -2.85 116.25 114.82 1d9n h VAL 47 Ca 0.00 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1d9n h VAL 47 Cb 0.20 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1d9n h VAL 47 CO 0.00 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 177.04 1d9n h GLU 48 N 0.00 0.26 0.00 1.57 5.08 -1.97 0.03 114.58 119.55 1d9n h GLU 48 Ca 0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1d9n h GLU 48 Cb 0.70 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1d9n h GLU 48 CO 0.00 0.82 -0.06 1.37 -1.00 0.00 0.00 179.01 180.14 1d9n h LEU 49 N -0.24 0.00 0.19 1.33 8.10 -1.58 -2.06 115.31 121.05 1d9n h LEU 49 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1d9n h LEU 49 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 1d9n h LEU 49 CO 0.05 0.06 -0.09 0.74 -4.11 0.00 0.00 178.44 175.08 1d9n h THR 50 N 0.00 0.00 -0.39 0.15 2.02 -1.23 -3.00 112.91 110.46 1d9n h THR 50 Ca -0.00 -0.36 0.11 0.00 0.77 0.00 0.00 66.41 66.93 1d9n h THR 50 Cb 0.38 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1d9n h THR 50 CO 0.01 0.00 0.60 0.08 0.37 0.00 0.00 175.52 176.58 1d9n h ARG 51 N -0.62 0.00 0.75 6.66 0.11 -0.91 -0.32 114.38 120.05 1d9n h ARG 51 Ca -0.03 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 1d9n h ARG 51 Cb 0.20 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.29 1d9n h ARG 51 CO 0.04 0.00 -0.36 -0.92 0.10 0.00 0.00 179.97 178.83 1d9n h TYR 52 N 0.00 -0.94 0.30 4.08 3.20 -1.27 -3.24 116.97 119.10 1d9n h TYR 52 Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1d9n h TYR 52 Cb 1.38 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.93 1d9n h TYR 52 CO 0.00 -0.58 -0.49 -0.07 -1.64 0.00 0.00 178.16 175.38 1d9n h LEU 53 N -1.12 -1.41 0.00 2.82 4.07 -0.93 -3.49 115.31 115.25 1d9n h LEU 53 Ca -0.10 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1d9n h LEU 53 Cb 0.77 0.50 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1d9n h LEU 53 CO 0.17 -0.59 0.00 0.61 -1.08 0.00 0.00 178.44 177.55 1d9n n GLY 54 N -1.52 0.31 0.00 0.83 0.00 -0.96 -4.85 105.19 99.01 1d9n n GLY 54 Ca -0.10 -1.60 0.14 0.00 0.00 0.00 0.00 46.02 44.46 1d9n n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d9n n PRO 55 N 0.00 0.62 0.07 1.61 -0.04 -1.26 -3.16 135.00 132.85 1d9n n PRO 55 Ca 0.00 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1d9n n PRO 55 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1d9n n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d9n h ALA 56 N 3.51 0.47 -4.11 0.55 0.00 -1.94 -3.44 119.26 114.29 1d9n h ALA 56 Ca 0.00 -0.83 -0.69 0.00 0.00 0.00 0.00 54.91 53.39 1d9n h ALA 56 Cb 0.13 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 17.58 1d9n h ALA 56 CO 0.00 1.10 -0.79 0.00 0.00 0.00 0.00 179.25 179.56 1d9n s ASP 58 N -0.66 1.44 0.00 0.00 1.47 -1.26 -4.68 116.67 112.98 1d9n s ASP 58 Ca 0.10 -0.73 0.00 0.00 1.18 0.00 0.00 52.55 53.10 1d9n s ASP 58 Cb -0.11 -0.00 0.00 0.00 -0.34 0.00 0.00 42.92 42.47 1d9n s ASP 58 CO 0.00 -0.21 0.44 0.18 0.68 0.00 0.00 175.17 176.27 1d9n n LEU 59 N 0.86 0.00 -0.22 2.11 4.32 -1.26 -4.76 117.00 118.05 1d9n n LEU 59 Ca -0.18 -0.33 0.27 0.00 -0.02 0.00 0.00 56.01 55.75 1d9n n LEU 59 Cb 0.56 0.00 0.67 0.00 -1.62 0.00 0.00 43.42 43.03 1d9n n LEU 59 CO 0.25 0.23 1.26 0.74 -1.22 0.00 0.00 177.39 178.64 1d9n h THR 60 N 3.69 0.55 -0.00 -5.08 2.02 -1.93 0.12 112.91 112.28 1d9n h THR 60 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1d9n h THR 60 Cb 1.06 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1d9n h THR 60 CO 0.00 0.02 -0.40 0.18 0.37 0.00 0.00 175.52 175.69 1d9n n LEU 61 N -4.34 0.58 -4.68 2.58 7.99 -1.26 -4.99 117.00 112.89 1d9n n LEU 61 Ca 0.20 -0.55 -0.45 0.00 -0.01 0.00 0.00 56.01 55.20 1d9n n LEU 61 Cb 0.95 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 44.22 1d9n n LEU 61 CO 0.36 0.14 1.23 0.33 -1.51 0.00 0.00 177.39 177.94 1d9n n PHE 62 N -1.05 2.35 -2.52 -1.77 7.35 0.41 -3.97 117.46 118.27 1d9n n PHE 62 Ca 0.02 0.22 -0.42 0.00 -0.76 0.00 0.00 57.45 56.52 1d9n n PHE 62 Cb 0.16 -2.57 -0.03 0.00 0.35 0.00 0.00 39.48 37.39 1d9n n PHE 62 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1d9n s ASP 63 N 1.05 6.28 -0.55 -2.13 -1.08 0.72 -4.88 116.67 116.08 1d9n s ASP 63 Ca 0.79 -0.01 -0.10 0.00 -0.52 0.00 0.00 52.55 52.70 1d9n s ASP 63 Cb -0.65 -2.55 -0.09 0.00 -1.46 0.00 0.00 42.92 38.16 1d9n s ASP 63 CO 0.37 -1.65 1.72 0.33 0.52 0.00 0.00 175.17 176.46 1d9n n PHE 64 N 9.04 0.96 0.00 -5.34 7.35 -1.26 -2.40 117.46 125.80 1d9n n PHE 64 Ca 0.08 -1.39 0.00 0.00 -0.76 0.00 0.00 57.45 55.38 1d9n n PHE 64 Cb 0.49 -1.29 0.00 0.00 0.35 0.00 0.00 39.48 39.03 1d9n n PHE 64 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1d9n n LYS 65 N 5.36 0.00 -0.04 -4.13 4.81 -1.26 -4.81 118.16 118.09 1d9n n LYS 65 Ca 0.34 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.57 1d9n n LYS 65 Cb 0.18 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.10 1d9n n LYS 65 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1d9n h GLN 66 N 0.00 0.14 0.00 1.64 4.20 -1.86 -3.47 115.11 115.76 1d9n h GLN 66 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1d9n h GLN 66 Cb 0.00 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1d9n h GLN 66 CO 0.00 1.12 0.00 0.41 -0.67 0.00 0.00 178.83 179.69 1d9n n GLY 67 N 1.67 1.81 3.18 3.46 0.00 -1.08 -5.07 105.19 109.16 1d9n n GLY 67 Ca -0.29 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1d9n n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d9n s ILE 68 N -2.00 0.07 0.32 -0.61 -5.25 -1.26 -4.26 121.20 108.22 1d9n s ILE 68 Ca 0.00 -1.92 -0.00 0.00 -0.99 0.00 0.00 60.65 57.74 1d9n s ILE 68 Cb 0.00 -2.18 -0.01 0.00 2.95 0.00 0.00 42.46 43.22 1d9n s ILE 68 CO 0.00 -0.31 0.40 -1.48 -1.79 0.00 0.00 174.94 171.76 1d9n s LEU 69 N -3.08 1.18 0.00 0.37 2.34 -1.26 0.26 118.68 118.49 1d9n s LEU 69 Ca 0.29 -1.52 -0.07 0.00 0.06 0.00 0.00 54.13 52.89 1d9n s LEU 69 Cb 0.07 1.17 0.03 0.00 -0.56 0.00 0.00 46.19 46.89 1d9n s LEU 69 CO 0.05 -1.20 0.58 0.00 -1.06 0.00 0.00 176.35 174.73 1d9n s TYR 71 N -2.81 2.48 0.00 0.00 1.51 -1.26 -4.46 117.35 112.81 1d9n s TYR 71 Ca 0.23 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1d9n s TYR 71 Cb -0.02 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1d9n s TYR 71 CO 0.17 0.51 0.00 -0.35 -1.11 0.00 0.00 175.55 174.76 1d9n n PRO 72 N 0.14 0.88 -2.99 -1.71 -0.04 -1.26 -4.80 135.00 125.22 1d9n n PRO 72 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 1d9n n PRO 72 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 1d9n n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d9n n ALA 73 N -3.00 -2.86 -1.31 0.55 0.00 -1.26 -5.00 120.51 107.63 1d9n n ALA 73 Ca 0.00 0.91 -0.09 0.00 0.00 0.00 0.00 53.44 54.26 1d9n n ALA 73 Cb 0.00 -3.29 0.09 0.00 0.00 0.00 0.00 19.45 16.25 1d9n n ALA 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1d9n n PRO 74 N -0.49 -0.83 0.00 0.00 -0.04 -1.26 -5.31 135.00 127.08 1d9n n PRO 74 Ca 0.07 -0.84 0.14 0.00 -0.04 0.00 0.00 63.50 62.84 1d9n n PRO 74 Cb 0.50 -0.60 0.58 0.00 -0.04 0.00 0.00 33.50 33.95 1d9n n PRO 74 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82