#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pf9 n ASN 2 N 0.00 1.39 -4.43 3.17 6.94 -1.26 -4.71 115.26 116.35 1pf9 n ASN 2 Ca 0.00 -2.04 -0.29 0.00 -0.02 0.00 0.00 54.58 52.23 1pf9 n ASN 2 Cb 0.00 -0.35 -0.12 0.00 -2.36 0.00 0.00 39.78 36.95 1pf9 n ASN 2 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1pf9 s ILE 3 N -1.75 2.54 -0.37 1.53 1.09 -1.26 -5.11 121.20 117.87 1pf9 s ILE 3 Ca 0.45 -1.56 0.02 0.00 -1.10 0.00 0.00 60.65 58.47 1pf9 s ILE 3 Cb -0.03 -2.12 0.11 0.00 -1.06 0.00 0.00 42.46 39.35 1pf9 s ILE 3 CO 0.29 0.15 0.12 -0.60 -0.10 0.00 0.00 174.94 174.80 1pf9 s ARG 4 N -1.94 1.28 0.53 2.79 6.06 -1.26 -4.93 118.95 121.49 1pf9 s ARG 4 Ca 0.15 -1.75 -0.21 0.00 -2.50 0.00 0.00 55.73 51.43 1pf9 s ARG 4 Cb -0.10 -2.73 -0.05 0.00 0.06 0.00 0.00 34.95 32.12 1pf9 s ARG 4 CO 0.07 -1.01 1.23 -1.25 -2.50 0.00 0.00 175.30 171.84 1pf9 s PRO 5 N 0.89 3.32 -0.91 5.12 0.04 -1.26 -4.94 135.00 137.26 1pf9 s PRO 5 Ca 0.12 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 1pf9 s PRO 5 Cb -0.20 -2.20 0.18 0.00 0.04 0.00 0.00 34.50 32.33 1pf9 s PRO 5 CO -0.11 -0.95 0.97 -1.17 0.04 0.00 0.00 177.00 175.79 1pf9 s LEU 6 N -3.53 5.95 0.00 -3.56 1.98 -1.26 -4.27 118.68 113.99 1pf9 s LEU 6 Ca 0.71 -2.51 0.00 0.00 -2.89 0.00 0.00 54.13 49.44 1pf9 s LEU 6 Cb -0.32 -2.30 0.00 0.00 0.66 0.00 0.00 46.19 44.23 1pf9 s LEU 6 CO 0.37 -0.76 0.00 0.00 -1.89 0.00 0.00 176.35 174.07 1pf9 n HIS 7 N 5.03 0.00 0.00 5.38 1.44 -1.26 -3.98 115.22 121.82 1pf9 n HIS 7 Ca 0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 1pf9 n HIS 7 Cb 0.47 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 30.15 1pf9 n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1pf9 n ASP 8 N 1.29 0.00 -4.77 4.39 2.03 -1.26 -4.62 116.55 113.61 1pf9 n ASP 8 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1pf9 n ASP 8 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1pf9 n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1pf9 s ARG 9 N 0.00 4.41 -0.06 -0.67 1.81 -1.26 -2.20 118.95 120.98 1pf9 s ARG 9 Ca 0.00 1.66 0.04 0.00 -1.72 0.00 0.00 55.73 55.71 1pf9 s ARG 9 Cb 0.00 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.62 1pf9 s ARG 9 CO 0.00 0.04 -0.18 0.08 -0.68 0.00 0.00 175.30 174.57 1pf9 s VAL 10 N -1.39 1.50 -0.34 3.52 1.01 0.25 -2.47 120.40 122.49 1pf9 s VAL 10 Ca 0.51 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1pf9 s VAL 10 Cb -0.27 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1pf9 s VAL 10 CO 0.35 0.43 0.25 -0.63 0.00 0.00 0.00 175.10 175.50 1pf9 s ILE 11 N 0.20 5.28 0.29 2.22 1.01 -0.04 -2.35 121.20 127.80 1pf9 s ILE 11 Ca -0.08 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1pf9 s ILE 11 Cb -0.13 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1pf9 s ILE 11 CO 0.04 0.00 -0.05 0.68 0.00 0.00 0.00 174.94 175.61 1pf9 s VAL 12 N 1.75 1.62 -0.03 2.92 -7.23 0.21 -0.02 120.40 119.62 1pf9 s VAL 12 Ca 0.07 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 1pf9 s VAL 12 Cb -0.17 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1pf9 s VAL 12 CO 0.11 -0.27 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.85 1pf9 s LYS 13 N -3.74 1.79 0.86 4.82 -2.85 0.11 0.61 119.74 121.34 1pf9 s LYS 13 Ca 0.30 -0.70 -0.12 0.00 -1.00 0.00 0.00 55.97 54.45 1pf9 s LYS 13 Cb 0.04 -1.63 0.11 0.00 -2.06 0.00 0.00 37.83 34.29 1pf9 s LYS 13 CO 0.12 0.36 1.11 0.50 0.10 0.00 0.00 175.35 177.54 1pf9 s ARG 14 N -0.25 1.57 0.00 1.78 3.52 -1.26 -0.79 118.95 123.51 1pf9 s ARG 14 Ca 0.02 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 1pf9 s ARG 14 Cb -0.10 -1.87 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 1pf9 s ARG 14 CO 0.01 -1.96 0.00 1.63 -0.81 0.00 0.00 175.30 174.17 1pf9 n LYS 15 N -3.65 2.76 -2.19 5.12 5.02 -0.93 -4.78 118.16 119.50 1pf9 n LYS 15 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 1pf9 n LYS 15 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.55 1pf9 n LYS 15 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pf9 s GLU 16 N -0.70 4.03 -0.58 1.97 0.41 -1.26 -4.75 118.70 117.81 1pf9 s GLU 16 Ca 0.00 1.77 -0.26 0.00 -0.41 0.00 0.00 54.97 56.07 1pf9 s GLU 16 Cb 0.00 -3.93 -0.08 0.00 -1.78 0.00 0.00 34.13 28.33 1pf9 s GLU 16 CO 0.00 -0.99 2.36 0.08 -0.49 0.00 0.00 175.26 176.22 1pf9 s VAL 17 N 4.34 3.04 -0.92 2.63 1.01 -1.26 -3.35 120.40 125.89 1pf9 s VAL 17 Ca 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 1pf9 s VAL 17 Cb -0.26 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1pf9 s VAL 17 CO 0.25 -0.10 0.73 -0.62 0.00 0.00 0.00 175.10 175.36 1pf9 n GLU 18 N 8.97 -1.43 -1.67 2.72 1.02 -1.26 -4.85 120.64 124.13 1pf9 n GLU 18 Ca 0.38 0.94 -0.48 0.00 -0.02 0.00 0.00 57.16 57.98 1pf9 n GLU 18 Cb 0.52 -4.49 -0.05 0.00 -0.02 0.00 0.00 31.44 27.40 1pf9 n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1pf9 n THR 19 N -2.89 0.34 -2.12 2.62 -1.04 -1.21 -4.77 114.28 105.21 1pf9 n THR 19 Ca -0.11 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.55 1pf9 n THR 19 Cb 0.58 -1.68 -0.05 0.00 -1.82 0.00 0.00 70.33 67.36 1pf9 n THR 19 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pf9 s LYS 20 N 2.82 2.66 0.00 -2.82 3.01 -1.26 -3.81 119.74 120.34 1pf9 s LYS 20 Ca 0.88 -1.09 0.00 0.00 -1.01 0.00 0.00 55.97 54.74 1pf9 s LYS 20 Cb -0.72 -5.24 0.00 0.00 -1.01 0.00 0.00 37.83 30.86 1pf9 s LYS 20 CO 0.47 -3.69 0.00 -1.13 0.51 0.00 0.00 175.35 171.52 1pf9 n SER 21 N 13.66 0.00 -4.49 2.83 3.41 -1.25 -4.63 113.62 123.15 1pf9 n SER 21 Ca 0.44 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.67 1pf9 n SER 21 Cb 0.47 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1pf9 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pf9 n ALA 22 N -0.59 -0.96 -0.07 7.33 0.00 -1.25 -1.79 120.51 123.18 1pf9 n ALA 22 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1pf9 n ALA 22 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1pf9 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pf9 n GLY 23 N 1.70 2.74 0.00 0.00 0.00 -1.26 -4.34 105.19 104.02 1pf9 n GLY 23 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1pf9 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pf9 n GLY 24 N -2.00 1.37 0.10 -0.02 0.00 -0.74 -4.65 105.19 99.25 1pf9 n GLY 24 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 1pf9 n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pf9 h ILE 25 N 0.00 0.56 -2.66 -0.61 2.04 -1.83 -3.44 117.51 111.56 1pf9 h ILE 25 Ca 0.00 -2.04 -0.52 0.00 1.00 0.00 0.00 64.86 63.29 1pf9 h ILE 25 Cb 0.00 2.09 0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1pf9 h ILE 25 CO 0.00 0.32 1.02 -0.69 0.00 0.00 0.00 178.15 178.79 1pf9 s VAL 26 N -2.92 2.23 -0.63 1.67 1.01 -1.26 -4.87 120.40 115.63 1pf9 s VAL 26 Ca -0.02 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1pf9 s VAL 26 Cb 0.09 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1pf9 s VAL 26 CO 0.80 0.01 2.98 0.18 0.00 0.00 0.00 175.10 179.07 1pf9 n LEU 27 N 4.37 6.70 -2.92 3.92 4.32 -1.26 -3.79 117.00 128.33 1pf9 n LEU 27 Ca 0.16 -4.00 -0.20 0.00 -0.02 0.00 0.00 56.01 51.96 1pf9 n LEU 27 Cb 0.36 -1.35 -0.13 0.00 -1.62 0.00 0.00 43.42 40.68 1pf9 n LEU 27 CO 0.64 1.83 1.40 1.07 -1.22 0.00 0.00 177.39 181.10 1pf9 n THR 28 N 1.85 0.00 -1.65 -5.08 5.66 -1.26 -4.83 114.28 108.98 1pf9 n THR 28 Ca 0.54 -0.18 -0.36 0.00 -3.05 0.00 0.00 64.05 60.99 1pf9 n THR 28 Cb 0.56 -0.14 0.08 0.00 -1.55 0.00 0.00 70.33 69.27 1pf9 n THR 28 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1pf9 s GLY 29 N 2.61 2.73 -0.20 1.09 0.00 -1.26 -4.60 107.32 107.69 1pf9 s GLY 29 Ca 0.87 1.14 -0.39 0.00 0.00 0.00 0.00 44.72 46.34 1pf9 s GLY 29 CO 0.35 1.57 1.71 -1.26 0.00 0.00 0.00 173.10 175.46 1pf9 n SER 30 N -2.13 2.42 -1.94 1.64 2.88 -1.26 -4.86 113.62 110.38 1pf9 n SER 30 Ca 0.15 1.07 -0.01 0.00 -1.33 0.00 0.00 58.87 58.76 1pf9 n SER 30 Cb 0.49 -1.18 0.34 0.00 -0.75 0.00 0.00 64.21 63.11 1pf9 n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pf9 n ALA 31 N 5.12 4.27 -2.85 -1.46 0.00 -1.26 -4.90 120.51 119.43 1pf9 n ALA 31 Ca 0.25 -2.10 -0.11 0.00 0.00 0.00 0.00 53.44 51.49 1pf9 n ALA 31 Cb 0.16 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.46 1pf9 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pf9 n ALA 32 N 0.19 -1.44 -2.42 0.00 0.00 -1.26 -5.08 120.51 110.50 1pf9 n ALA 32 Ca 0.35 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 1pf9 n ALA 32 Cb 1.29 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 1pf9 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pf9 s ALA 33 N -3.24 2.42 0.00 0.00 0.00 -1.26 -5.19 121.76 114.49 1pf9 s ALA 33 Ca 0.08 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1pf9 s ALA 33 Cb -0.01 1.00 0.00 0.00 0.00 0.00 0.00 23.12 24.11 1pf9 s ALA 33 CO 0.48 -0.45 0.00 1.17 0.00 0.00 0.00 175.76 176.96 1pf9 n LYS 34 N -0.75 3.35 -4.25 0.00 3.00 -1.26 -4.73 118.16 113.53 1pf9 n LYS 34 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.08 1pf9 n LYS 34 Cb 0.64 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.55 1pf9 n LYS 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pf9 s SER 35 N 0.82 2.22 0.00 3.14 0.15 -1.26 -4.27 113.70 114.51 1pf9 s SER 35 Ca 0.00 -0.69 0.11 0.00 0.70 0.00 0.00 55.95 56.07 1pf9 s SER 35 Cb 0.00 -0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.15 1pf9 s SER 35 CO 0.00 -0.02 0.59 0.35 1.20 0.00 0.00 173.24 175.36 1pf9 n THR 36 N 1.01 0.00 -3.11 6.45 -2.24 -1.26 -4.87 114.28 110.26 1pf9 n THR 36 Ca -0.19 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 1pf9 n THR 36 Cb 0.54 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 1pf9 n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pf9 s ARG 37 N -1.75 3.88 -0.01 -0.78 3.00 -1.26 -1.77 118.95 120.25 1pf9 s ARG 37 Ca 0.07 0.50 -0.29 0.00 0.00 0.00 0.00 55.73 56.01 1pf9 s ARG 37 Cb 0.09 -2.47 0.10 0.00 0.00 0.00 0.00 34.95 32.68 1pf9 s ARG 37 CO 0.37 0.12 0.91 0.20 0.00 0.00 0.00 175.30 176.90 1pf9 s GLY 38 N -2.62 -0.45 -0.20 -3.53 0.00 -0.22 -2.18 107.32 98.12 1pf9 s GLY 38 Ca 0.51 1.02 -0.09 0.00 0.00 0.00 0.00 44.72 46.16 1pf9 s GLY 38 CO 0.23 0.34 0.12 1.85 0.00 0.00 0.00 173.10 175.63 1pf9 s GLU 39 N -3.09 4.13 -0.07 2.90 2.12 0.03 -0.37 118.70 124.35 1pf9 s GLU 39 Ca 0.05 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 1pf9 s GLU 39 Cb -0.01 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 1pf9 s GLU 39 CO -0.09 0.27 1.24 0.08 -0.54 0.00 0.00 175.26 176.22 1pf9 s VAL 40 N 0.43 4.19 -0.16 3.70 1.01 0.36 -0.71 120.40 129.22 1pf9 s VAL 40 Ca 0.07 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.58 1pf9 s VAL 40 Cb -0.12 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 1pf9 s VAL 40 CO -0.01 -0.03 -0.13 0.18 0.00 0.00 0.00 175.10 175.11 1pf9 n LEU 41 N 5.47 2.87 -3.93 3.92 4.77 0.97 -0.37 117.00 130.69 1pf9 n LEU 41 Ca 0.12 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1pf9 n LEU 41 Cb 0.46 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1pf9 n LEU 41 CO 0.56 0.75 -0.23 0.00 -1.33 0.00 0.00 177.39 177.14 1pf9 s ALA 42 N -2.32 -0.05 0.00 -1.18 0.00 -0.77 -4.73 121.76 112.72 1pf9 s ALA 42 Ca -0.21 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1pf9 s ALA 42 Cb 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1pf9 s ALA 42 CO 0.37 -0.30 -0.11 0.08 0.00 0.00 0.00 175.76 175.81 1pf9 s VAL 43 N -2.45 0.84 0.37 0.00 1.01 -1.26 -0.86 120.40 118.06 1pf9 s VAL 43 Ca -0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1pf9 s VAL 43 Cb -0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1pf9 s VAL 43 CO -0.04 0.16 0.67 -0.83 0.00 0.00 0.00 175.10 175.06 1pf9 s GLY 44 N -0.45 1.73 0.23 4.51 0.00 -1.03 -4.62 107.32 107.68 1pf9 s GLY 44 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 44.72 44.09 1pf9 s GLY 44 CO -0.00 -0.36 1.49 0.70 0.00 0.00 0.00 173.10 174.93 1pf9 n ASN 45 N -1.46 -0.60 0.00 1.64 3.02 -1.26 -4.31 115.26 112.29 1pf9 n ASN 45 Ca -0.00 1.68 0.00 0.00 -0.03 0.00 0.00 54.58 56.22 1pf9 n ASN 45 Cb 0.54 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1pf9 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pf9 n GLY 46 N -1.47 4.06 3.52 7.41 0.00 -1.26 -3.93 105.19 113.52 1pf9 n GLY 46 Ca 0.10 -1.24 -0.52 0.00 0.00 0.00 0.00 46.02 44.36 1pf9 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pf9 n ARG 47 N -1.67 0.57 0.00 1.61 0.63 -1.12 -3.99 116.66 112.69 1pf9 n ARG 47 Ca 0.00 0.20 0.10 0.00 -0.92 0.00 0.00 57.85 57.24 1pf9 n ARG 47 Cb 0.00 -1.63 -0.09 0.00 0.45 0.00 0.00 32.46 31.19 1pf9 n ARG 47 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1pf9 n ILE 48 N 1.33 0.02 -1.06 5.15 5.41 -1.26 -2.21 119.36 126.74 1pf9 n ILE 48 Ca 0.18 -0.13 -0.34 0.00 1.00 0.00 0.00 62.75 63.46 1pf9 n ILE 48 Cb 0.19 0.65 0.01 0.00 -0.71 0.00 0.00 39.64 39.78 1pf9 n ILE 48 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1pf9 n LEU 49 N -1.71 -3.44 -1.92 1.39 4.77 -1.26 -3.37 117.00 111.46 1pf9 n LEU 49 Ca 0.02 0.52 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1pf9 n LEU 49 Cb 0.39 -0.73 -0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1pf9 n LEU 49 CO 0.43 -4.30 -0.16 1.21 -1.33 0.00 0.00 177.39 173.24 1pf9 n GLU 50 N 1.41 -1.79 0.00 3.23 2.13 -1.26 -4.67 120.64 119.70 1pf9 n GLU 50 Ca 0.06 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1pf9 n GLU 50 Cb 0.42 -5.14 0.00 0.00 0.27 0.00 0.00 31.44 26.99 1pf9 n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1pf9 n ASN 51 N -1.13 0.00 -4.39 4.31 5.15 -1.22 -4.79 115.26 113.20 1pf9 n ASN 51 Ca -0.17 0.00 -0.59 0.00 -0.60 0.00 0.00 54.58 53.22 1pf9 n ASN 51 Cb 0.63 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.78 1pf9 n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pf9 n GLY 52 N 0.00 0.09 0.93 8.20 0.00 -1.26 -4.63 105.19 108.52 1pf9 n GLY 52 Ca 0.00 1.06 0.12 0.00 0.00 0.00 0.00 46.02 47.20 1pf9 n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pf9 n GLU 53 N 6.94 -2.01 -3.67 1.61 4.71 -1.26 -4.93 120.64 122.03 1pf9 n GLU 53 Ca 0.47 1.49 -0.28 0.00 -0.01 0.00 0.00 57.16 58.83 1pf9 n GLU 53 Cb 0.02 -2.40 -0.16 0.00 -1.01 0.00 0.00 31.44 27.89 1pf9 n GLU 53 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pf9 s VAL 54 N -2.75 0.37 0.08 2.62 1.01 -1.26 -4.75 120.40 115.71 1pf9 s VAL 54 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1pf9 s VAL 54 Cb 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1pf9 s VAL 54 CO 0.00 -0.42 1.03 -1.59 0.00 0.00 0.00 175.10 174.12 1pf9 s LYS 55 N 1.91 4.59 1.11 2.72 -2.85 -0.94 -4.89 119.74 121.39 1pf9 s LYS 55 Ca 0.04 1.55 -0.12 0.00 -1.00 0.00 0.00 55.97 56.43 1pf9 s LYS 55 Cb -0.17 -3.38 0.25 0.00 -2.06 0.00 0.00 37.83 32.48 1pf9 s LYS 55 CO -0.18 0.03 1.05 -1.25 0.10 0.00 0.00 175.35 175.11 1pf9 s PRO 56 N 0.39 -0.48 0.10 1.78 0.04 -1.26 -2.78 135.00 132.78 1pf9 s PRO 56 Ca 0.51 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 1pf9 s PRO 56 Cb -0.25 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1pf9 s PRO 56 CO 0.30 -3.43 0.35 -0.51 0.04 0.00 0.00 177.00 173.75 1pf9 s LEU 57 N -7.01 4.31 0.00 -3.56 1.43 -1.25 -4.78 118.68 107.82 1pf9 s LEU 57 Ca 0.68 0.61 0.27 0.00 -1.03 0.00 0.00 54.13 54.65 1pf9 s LEU 57 Cb -0.23 -3.09 1.33 0.00 0.03 0.00 0.00 46.19 44.22 1pf9 s LEU 57 CO 0.63 0.13 1.89 0.47 0.23 0.00 0.00 176.35 179.69 1pf9 n ASP 58 N 0.48 0.76 -4.52 2.29 9.92 -1.26 -4.75 116.55 119.47 1pf9 n ASP 58 Ca -0.05 -1.34 -0.34 0.00 -0.53 0.00 0.00 54.79 52.53 1pf9 n ASP 58 Cb 0.52 -0.02 -0.12 0.00 -0.64 0.00 0.00 41.12 40.87 1pf9 n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1pf9 s VAL 59 N -1.97 4.04 0.40 2.53 -7.23 -1.26 -5.12 120.40 111.79 1pf9 s VAL 59 Ca 0.39 -0.31 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 1pf9 s VAL 59 Cb 0.20 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 1pf9 s VAL 59 CO 0.32 0.49 0.60 -1.59 -0.31 0.00 0.00 175.10 174.61 1pf9 s LYS 60 N 0.38 3.16 -0.24 4.82 -2.85 -1.26 -4.95 119.74 118.80 1pf9 s LYS 60 Ca -0.03 -0.57 -0.28 0.00 -1.00 0.00 0.00 55.97 54.09 1pf9 s LYS 60 Cb -0.14 -2.64 -0.04 0.00 -2.06 0.00 0.00 37.83 32.96 1pf9 s LYS 60 CO 0.02 -0.11 2.04 0.08 0.10 0.00 0.00 175.35 177.48 1pf9 s VAL 61 N -2.43 3.20 0.00 1.79 1.01 -1.26 -2.65 120.40 120.06 1pf9 s VAL 61 Ca 0.46 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1pf9 s VAL 61 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1pf9 s VAL 61 CO 0.36 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1pf9 n GLY 62 N 5.54 1.17 3.80 4.51 0.00 0.50 -5.00 105.19 115.72 1pf9 n GLY 62 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1pf9 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pf9 s ASP 63 N -1.63 6.16 -0.22 1.61 1.01 -1.08 -4.71 116.67 117.82 1pf9 s ASP 63 Ca 0.00 1.87 -0.11 0.00 0.71 0.00 0.00 52.55 55.02 1pf9 s ASP 63 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1pf9 s ASP 63 CO 0.00 -0.90 0.19 -0.63 0.21 0.00 0.00 175.17 174.03 1pf9 s ILE 64 N -2.17 5.35 0.02 0.77 1.01 -1.26 -0.49 121.20 124.43 1pf9 s ILE 64 Ca 0.66 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.60 1pf9 s ILE 64 Cb -0.16 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1pf9 s ILE 64 CO 0.26 0.36 -0.08 0.68 0.00 0.00 0.00 174.94 176.17 1pf9 s VAL 65 N 0.84 0.58 -0.23 2.92 -7.23 0.50 -1.30 120.40 116.49 1pf9 s VAL 65 Ca 0.10 -0.61 -0.15 0.00 -1.81 0.00 0.00 61.98 59.51 1pf9 s VAL 65 Cb -0.13 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1pf9 s VAL 65 CO 0.03 -0.04 0.36 -0.63 -0.31 0.00 0.00 175.10 174.51 1pf9 s ILE 66 N -0.61 5.21 0.39 -0.62 1.01 -0.90 -1.06 121.20 124.61 1pf9 s ILE 66 Ca -0.02 0.59 0.07 0.00 0.00 0.00 0.00 60.65 61.30 1pf9 s ILE 66 Cb -0.05 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 1pf9 s ILE 66 CO 0.00 0.23 -0.02 0.72 0.00 0.00 0.00 174.94 175.87 1pf9 s PHE 67 N 1.56 2.44 -0.39 3.97 -0.12 -0.73 -1.24 117.98 123.49 1pf9 s PHE 67 Ca 0.16 -0.64 -0.17 0.00 -0.05 0.00 0.00 56.93 56.23 1pf9 s PHE 67 Cb -0.15 -1.63 0.01 0.00 -0.63 0.00 0.00 43.02 40.61 1pf9 s PHE 67 CO 0.08 0.46 0.44 1.21 -0.05 0.00 0.00 175.22 177.36 1pf9 s ASN 68 N -3.67 6.22 -1.02 1.98 3.84 0.08 -4.84 114.94 117.53 1pf9 s ASN 68 Ca 0.34 -0.41 -0.22 0.00 0.21 0.00 0.00 52.86 52.78 1pf9 s ASN 68 Cb 0.08 -2.23 0.07 0.00 -0.55 0.00 0.00 41.25 38.62 1pf9 s ASN 68 CO 0.17 -0.50 1.41 -0.62 -2.79 0.00 0.00 177.10 174.77 1pf9 s ASP 69 N 1.79 6.55 0.00 -4.21 -1.08 -1.26 -4.88 116.67 113.58 1pf9 s ASP 69 Ca 0.14 -1.64 0.00 0.00 -0.52 0.00 0.00 52.55 50.53 1pf9 s ASP 69 Cb -0.16 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1pf9 s ASP 69 CO 0.13 -1.40 0.00 0.61 0.52 0.00 0.00 175.17 175.03 1pf9 n GLY 70 N 6.51 5.46 0.20 2.66 0.00 -1.26 -5.04 105.19 113.72 1pf9 n GLY 70 Ca 0.32 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 1pf9 n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pf9 h TYR 71 N 0.00 0.68 -1.34 1.61 3.20 -2.04 -3.22 116.97 115.87 1pf9 h TYR 71 Ca 0.00 -0.11 0.39 0.00 3.14 0.00 0.00 58.73 62.15 1pf9 h TYR 71 Cb 0.00 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.03 1pf9 h TYR 71 CO 0.00 0.70 0.95 0.78 -1.64 0.00 0.00 178.16 178.96 1pf9 h GLY 72 N 0.46 0.16 -3.80 1.82 0.00 -1.95 -3.41 103.07 96.35 1pf9 h GLY 72 Ca 0.11 -0.02 -0.50 0.00 0.00 0.00 0.00 47.33 46.91 1pf9 h GLY 72 CO 0.01 -0.03 0.26 0.14 0.00 0.00 0.00 176.54 176.92 1pf9 s VAL 73 N -4.99 4.25 0.12 4.60 1.01 -1.22 -4.59 120.40 119.59 1pf9 s VAL 73 Ca -0.05 1.83 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1pf9 s VAL 73 Cb 0.24 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1pf9 s VAL 73 CO 0.82 0.44 -0.17 -0.54 0.00 0.00 0.00 175.10 175.66 1pf9 s LYS 74 N -1.35 1.07 -0.18 2.72 -0.14 -0.25 -4.94 119.74 116.68 1pf9 s LYS 74 Ca 0.40 -1.21 -0.06 0.00 -1.36 0.00 0.00 55.97 53.75 1pf9 s LYS 74 Cb -0.23 -1.10 -0.03 0.00 -1.68 0.00 0.00 37.83 34.78 1pf9 s LYS 74 CO 0.28 0.23 0.03 0.45 -0.76 0.00 0.00 175.35 175.58 1pf9 s SER 75 N -2.23 5.27 0.19 2.83 0.15 -1.26 -0.64 113.70 118.01 1pf9 s SER 75 Ca 0.08 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.71 1pf9 s SER 75 Cb -0.07 -1.89 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 1pf9 s SER 75 CO 0.04 0.14 0.04 -1.61 1.20 0.00 0.00 173.24 173.05 1pf9 s GLU 76 N 0.53 1.18 -0.24 5.44 0.41 -0.71 -5.02 118.70 120.29 1pf9 s GLU 76 Ca 0.01 -1.59 0.02 0.00 -0.41 0.00 0.00 54.97 52.99 1pf9 s GLU 76 Cb -0.13 -0.19 0.06 0.00 -1.78 0.00 0.00 34.13 32.08 1pf9 s GLU 76 CO 0.02 -0.20 -0.08 0.21 -0.49 0.00 0.00 175.26 174.72 1pf9 s LYS 77 N -3.97 1.86 -0.22 1.61 2.47 -1.26 -2.40 119.74 117.81 1pf9 s LYS 77 Ca 0.28 -1.11 -0.01 0.00 -1.56 0.00 0.00 55.97 53.58 1pf9 s LYS 77 Cb 0.07 -2.68 0.02 0.00 -1.46 0.00 0.00 37.83 33.78 1pf9 s LYS 77 CO 0.07 -0.58 -0.11 0.42 0.16 0.00 0.00 175.35 175.31 1pf9 s ILE 78 N 1.29 2.60 -1.77 5.43 1.09 -1.08 -4.57 121.20 124.19 1pf9 s ILE 78 Ca -0.07 -1.01 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 1pf9 s ILE 78 Cb -0.19 -2.26 0.00 0.00 -1.06 0.00 0.00 42.46 38.95 1pf9 s ILE 78 CO -0.06 0.31 0.00 0.47 -0.10 0.00 0.00 174.94 175.56 1pf9 n ASP 79 N 4.64 -5.57 -1.72 3.58 8.00 -1.26 -1.94 116.55 122.27 1pf9 n ASP 79 Ca -0.18 0.41 -0.05 0.00 0.71 0.00 0.00 54.79 55.68 1pf9 n ASP 79 Cb 0.48 -4.54 0.03 0.00 -0.02 0.00 0.00 41.12 37.07 1pf9 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pf9 n ASN 80 N -1.26 -2.13 -3.95 -2.24 2.85 -1.26 -5.10 115.26 102.17 1pf9 n ASN 80 Ca -0.17 -0.19 -0.15 0.00 -0.11 0.00 0.00 54.58 53.97 1pf9 n ASN 80 Cb 0.64 -1.93 -0.14 0.00 1.24 0.00 0.00 39.78 39.59 1pf9 n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1pf9 s GLU 81 N -4.51 0.34 -0.27 1.20 8.01 -0.82 -5.13 118.70 117.52 1pf9 s GLU 81 Ca 0.02 -0.19 -0.29 0.00 0.01 0.00 0.00 54.97 54.52 1pf9 s GLU 81 Cb -0.01 -0.30 -0.01 0.00 -4.31 0.00 0.00 34.13 29.50 1pf9 s GLU 81 CO 0.23 0.08 1.42 -1.21 0.01 0.00 0.00 175.26 175.79 1pf9 s GLU 82 N -0.20 3.86 0.13 1.61 0.41 -1.26 -2.62 118.70 120.62 1pf9 s GLU 82 Ca 0.01 1.39 0.06 0.00 -0.41 0.00 0.00 54.97 56.02 1pf9 s GLU 82 Cb -0.02 -3.94 -0.04 0.00 -1.78 0.00 0.00 34.13 28.35 1pf9 s GLU 82 CO -0.00 -1.20 -0.15 0.14 -0.49 0.00 0.00 175.26 173.56 1pf9 s VAL 83 N 4.71 1.41 -0.01 2.63 -7.23 -1.01 -4.43 120.40 116.47 1pf9 s VAL 83 Ca 0.62 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1pf9 s VAL 83 Cb -0.20 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1pf9 s VAL 83 CO 0.26 -0.39 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.67 1pf9 s LEU 84 N -2.45 2.05 -0.29 1.32 1.02 0.20 -1.73 118.68 118.79 1pf9 s LEU 84 Ca 0.10 -0.41 0.03 0.00 0.02 0.00 0.00 54.13 53.86 1pf9 s LEU 84 Cb -0.05 -1.16 0.08 0.00 0.02 0.00 0.00 46.19 45.08 1pf9 s LEU 84 CO 0.04 0.27 -0.03 -0.63 0.02 0.00 0.00 176.35 176.02 1pf9 s ILE 85 N -0.54 2.12 0.21 -0.59 1.01 0.19 -0.62 121.20 122.99 1pf9 s ILE 85 Ca 0.09 -1.91 0.02 0.00 0.00 0.00 0.00 60.65 58.85 1pf9 s ILE 85 Cb -0.09 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1pf9 s ILE 85 CO -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 174.94 174.64 1pf9 s MET 86 N 1.06 1.25 0.45 2.79 0.23 -0.99 -1.08 119.30 123.01 1pf9 s MET 86 Ca 0.01 -1.63 -0.05 0.00 -1.03 0.00 0.00 55.69 52.98 1pf9 s MET 86 Cb -0.19 -0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 32.68 1pf9 s MET 86 CO -0.07 -0.16 0.75 -1.54 -2.03 0.00 0.00 175.02 171.97 1pf9 s SER 87 N -3.25 6.30 0.53 -1.18 1.04 -1.26 0.88 113.70 116.75 1pf9 s SER 87 Ca 0.29 0.89 0.31 0.00 0.48 0.00 0.00 55.95 57.92 1pf9 s SER 87 Cb 0.06 -2.23 1.47 0.00 0.10 0.00 0.00 66.02 65.42 1pf9 s SER 87 CO 0.08 -0.52 1.88 -0.08 0.98 0.00 0.00 173.24 175.57 1pf9 h GLU 88 N 0.42 0.03 -0.53 4.02 4.81 -1.79 0.13 114.58 121.67 1pf9 h GLU 88 Ca -0.47 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.91 1pf9 h GLU 88 Cb 1.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1pf9 h GLU 88 CO 0.62 0.02 0.43 0.77 -0.73 0.00 0.00 179.01 180.12 1pf9 h SER 89 N 0.03 0.00 0.67 1.04 0.02 -1.93 -1.00 113.55 112.38 1pf9 h SER 89 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1pf9 h SER 89 Cb 1.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1pf9 h SER 89 CO -0.02 0.00 -0.97 0.47 -1.14 0.00 0.00 176.83 175.17 1pf9 n ASP 90 N -4.12 0.66 -4.70 3.07 8.00 0.46 -4.82 116.55 115.09 1pf9 n ASP 90 Ca 0.10 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 1pf9 n ASP 90 Cb 0.65 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 42.33 1pf9 n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pf9 s ILE 91 N -3.25 4.89 -0.22 0.53 1.01 -0.38 -0.74 121.20 123.03 1pf9 s ILE 91 Ca 0.03 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.59 1pf9 s ILE 91 Cb 0.13 -4.23 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 1pf9 s ILE 91 CO 0.78 0.12 -0.13 0.18 0.00 0.00 0.00 174.94 175.89 1pf9 n LEU 92 N 4.37 2.08 -3.87 2.97 4.77 -0.37 -4.96 117.00 122.00 1pf9 n LEU 92 Ca 0.05 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1pf9 n LEU 92 Cb 0.50 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1pf9 n LEU 92 CO 0.50 0.77 0.45 0.00 -1.33 0.00 0.00 177.39 177.79 1pf9 s ALA 93 N -2.47 -1.04 -0.07 -1.18 0.00 -1.04 -5.02 121.76 110.93 1pf9 s ALA 93 Ca -0.25 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1pf9 s ALA 93 Cb 0.07 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 1pf9 s ALA 93 CO 0.62 -1.01 -0.21 0.42 0.00 0.00 0.00 175.76 175.58 1pf9 s ILE 94 N -3.67 1.75 -0.27 0.00 1.01 -1.26 -2.11 121.20 116.63 1pf9 s ILE 94 Ca 0.13 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1pf9 s ILE 94 Cb -0.05 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1pf9 s ILE 94 CO 0.08 0.49 0.66 -0.69 0.00 0.00 0.00 174.94 175.48 1pf9 s VAL 95 N 0.17 4.94 0.00 2.92 1.01 -0.42 -4.95 120.40 124.07 1pf9 s VAL 95 Ca -0.10 1.08 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1pf9 s VAL 95 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1pf9 s VAL 95 CO 0.05 -0.06 0.00 -0.62 0.00 0.00 0.00 175.10 174.47 1pf9 n GLU 96 N 5.83 3.21 -0.30 2.72 1.02 -1.26 -4.52 120.64 127.34 1pf9 n GLU 96 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pf9 n GLU 96 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1pf9 n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31