#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 1.30 -4.43 3.17 6.94 -1.26 -4.71 115.26 116.26 1pf9 n ASN 2 Ca 0.00 -1.97 -0.29 0.00 -0.02 0.00 0.00 54.58 52.30 1pf9 n ASN 2 Cb 0.00 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 36.97 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 -1.57 2.53 -0.38 1.53 1.09 -1.26 -5.11 121.20 118.04 1pf9 s ILE 3 Ca 0.42 -1.56 0.02 0.00 -1.10 0.00 0.00 60.65 58.43 1pf9 s ILE 3 Cb -0.03 -2.12 0.11 0.00 -1.06 0.00 0.00 42.46 39.36 1pf9 s ILE 3 CO 0.27 0.15 0.14 -0.60 -0.10 0.00 0.00 174.94 174.80 1pf9 s ARG 4 N -1.94 1.25 0.53 2.79 6.06 -1.26 -4.92 118.95 121.46 1pf9 s ARG 4 Ca 0.15 -1.74 -0.21 0.00 -2.50 0.00 0.00 55.73 51.43 1pf9 s ARG 4 Cb -0.10 -2.62 -0.05 0.00 0.06 0.00 0.00 34.95 32.23 1pf9 s ARG 4 CO 0.07 -1.03 1.24 -1.25 -2.50 0.00 0.00 175.30 171.84 1pf9 s PRO 5 N 0.86 3.32 -0.89 5.12 0.04 -1.26 -4.94 135.00 137.24 1pf9 s PRO 5 Ca 0.13 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1pf9 s PRO 5 Cb -0.21 -2.21 0.18 0.00 0.04 0.00 0.00 34.50 32.30 1pf9 s PRO 5 CO -0.11 -0.96 0.96 -1.17 0.04 0.00 0.00 177.00 175.76 1pf9 s LEU 6 N -3.50 5.89 0.00 -3.56 1.98 -1.26 -4.25 118.68 113.97 1pf9 s LEU 6 Ca 0.70 -2.39 0.00 0.00 -2.89 0.00 0.00 54.13 49.55 1pf9 s LEU 6 Cb -0.33 -2.31 0.00 0.00 0.66 0.00 0.00 46.19 44.21 1pf9 s LEU 6 CO 0.39 -0.81 0.00 0.00 -1.89 0.00 0.00 176.35 174.03 1pf9 n HIS 7 N 5.25 0.00 0.00 5.38 1.44 -1.26 -3.89 115.22 122.13 1pf9 n HIS 7 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1pf9 n HIS 7 Cb 0.48 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 30.19 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 1.21 0.00 -4.77 4.39 2.03 -1.25 -4.60 116.55 113.55 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 4.39 -0.06 -0.67 1.81 -1.25 -2.32 118.95 120.84 1pf9 s ARG 9 Ca 0.00 1.58 0.04 0.00 -1.72 0.00 0.00 55.73 55.63 1pf9 s ARG 9 Cb 0.00 -2.80 0.00 0.00 -0.45 0.00 0.00 34.95 31.70 1pf9 s ARG 9 CO 0.00 0.04 -0.18 0.08 -0.68 0.00 0.00 175.30 174.56 1pf9 s VAL 10 N -1.48 1.54 -0.33 3.52 1.01 0.17 -2.38 120.40 122.46 1pf9 s VAL 10 Ca 0.52 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1pf9 s VAL 10 Cb -0.25 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1pf9 s VAL 10 CO 0.31 0.44 0.22 -0.63 0.00 0.00 0.00 175.10 175.44 1pf9 s ILE 11 N 0.21 5.16 0.28 2.22 1.01 -0.13 -2.39 121.20 127.56 1pf9 s ILE 11 Ca -0.09 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1pf9 s ILE 11 Cb -0.14 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 1pf9 s ILE 11 CO 0.04 0.04 -0.06 0.68 0.00 0.00 0.00 174.94 175.64 1pf9 s VAL 12 N 1.71 1.65 -0.03 2.92 -7.23 0.12 0.00 120.40 119.54 1pf9 s VAL 12 Ca 0.06 -2.12 0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1pf9 s VAL 12 Cb -0.17 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1pf9 s VAL 12 CO 0.10 -0.30 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.81 1pf9 s LYS 13 N -3.73 1.78 0.85 4.82 -2.85 0.11 0.66 119.74 121.37 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 0.10 0.00 -2.06 0.00 0.00 37.83 34.28 1pf9 s LYS 13 CO 0.12 0.37 1.10 0.50 0.10 0.00 0.00 175.35 177.54 1pf9 s ARG 14 N -0.28 1.63 0.00 1.78 3.52 -1.26 -0.80 118.95 123.54 1pf9 s ARG 14 Ca 0.03 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 1pf9 s ARG 14 Cb -0.10 -1.87 0.00 0.00 -1.56 0.00 0.00 34.95 31.42 1pf9 s ARG 14 CO 0.01 -1.93 0.00 1.63 -0.81 0.00 0.00 175.30 174.20 1pf9 n LYS 15 N -3.63 3.04 -2.22 5.12 5.02 -0.96 -4.79 118.16 119.75 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 -0.21 4.06 -0.59 1.97 0.41 -1.26 -4.75 118.70 118.33 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 -3.91 -0.09 0.00 -1.78 0.00 0.00 34.13 28.35 1pf9 s GLU 16 CO 0.00 -0.95 2.37 0.08 -0.49 0.00 0.00 175.26 176.27 1pf9 s VAL 17 N 4.21 3.03 -0.92 2.63 1.01 -1.26 -3.43 120.40 125.68 1pf9 s VAL 17 Ca 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 1pf9 s VAL 17 Cb -0.25 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1pf9 s VAL 17 CO 0.24 -0.08 0.73 -0.62 0.00 0.00 0.00 175.10 175.37 1pf9 n GLU 18 N 8.96 -1.44 -1.68 2.72 1.02 -1.26 -4.85 120.64 124.12 1pf9 n GLU 18 Ca 0.39 0.94 -0.48 0.00 -0.02 0.00 0.00 57.16 57.99 1pf9 n GLU 18 Cb 0.51 -4.50 -0.05 0.00 -0.02 0.00 0.00 31.44 27.38 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 -2.87 0.35 -2.12 2.62 -1.04 -1.22 -4.77 114.28 105.23 1pf9 n THR 19 Ca -0.11 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.54 1pf9 n THR 19 Cb 0.58 -1.67 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 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 2.87 2.66 0.00 -2.82 3.01 -1.26 -3.79 119.74 120.42 1pf9 s LYS 20 Ca 0.88 -1.12 0.00 0.00 -1.01 0.00 0.00 55.97 54.72 1pf9 s LYS 20 Cb -0.73 -5.25 0.00 0.00 -1.01 0.00 0.00 37.83 30.84 1pf9 s LYS 20 CO 0.48 -3.71 0.00 -1.13 0.51 0.00 0.00 175.35 171.50 1pf9 n SER 21 N 13.67 0.00 -4.50 2.83 3.41 -1.25 -4.62 113.62 123.16 1pf9 n SER 21 Ca 0.44 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.67 1pf9 n SER 21 Cb 0.47 0.00 0.04 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 -0.65 -0.89 -0.13 7.33 0.00 -1.25 -1.74 120.51 123.18 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 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 1.67 2.72 0.00 0.00 0.00 -1.26 -4.34 105.19 103.98 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 -0.71 -4.66 105.19 99.27 1pf9 n GLY 24 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 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 0.64 -2.65 -0.61 2.04 -1.83 -3.44 117.51 111.66 1pf9 h ILE 25 Ca 0.00 -2.18 -0.52 0.00 1.00 0.00 0.00 64.86 63.16 1pf9 h ILE 25 Cb 0.00 2.17 0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1pf9 h ILE 25 CO 0.00 0.37 1.03 -0.69 0.00 0.00 0.00 178.15 178.85 1pf9 s VAL 26 N -2.88 2.17 -0.65 1.67 1.01 -1.26 -4.86 120.40 115.60 1pf9 s VAL 26 Ca -0.02 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1pf9 s VAL 26 Cb 0.08 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1pf9 s VAL 26 CO 0.81 0.00 2.93 0.18 0.00 0.00 0.00 175.10 179.02 1pf9 n LEU 27 N 4.36 6.75 -2.77 3.92 4.32 -1.26 -3.76 117.00 128.55 1pf9 n LEU 27 Ca 0.16 -4.05 -0.18 0.00 -0.02 0.00 0.00 56.01 51.92 1pf9 n LEU 27 Cb 0.36 -1.34 -0.12 0.00 -1.62 0.00 0.00 43.42 40.70 1pf9 n LEU 27 CO 0.64 1.83 1.32 1.07 -1.22 0.00 0.00 177.39 181.04 1pf9 n THR 28 N 1.76 0.00 -1.57 -5.08 5.66 -1.26 -4.83 114.28 108.95 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 0.54 -0.12 0.08 0.00 -1.55 0.00 0.00 70.33 69.28 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 2.23 2.67 -0.17 1.09 0.00 -1.26 -4.59 107.32 107.29 1pf9 s GLY 29 Ca 0.82 1.11 -0.38 0.00 0.00 0.00 0.00 44.72 46.27 1pf9 s GLY 29 CO 0.33 1.54 1.69 -1.26 0.00 0.00 0.00 173.10 175.40 1pf9 n SER 30 N -2.29 2.47 -1.96 1.64 2.88 -1.26 -4.86 113.62 110.24 1pf9 n SER 30 Ca 0.15 1.07 -0.02 0.00 -1.33 0.00 0.00 58.87 58.74 1pf9 n SER 30 Cb 0.49 -1.20 0.33 0.00 -0.75 0.00 0.00 64.21 63.08 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 5.03 4.34 -2.93 -1.46 0.00 -1.26 -4.89 120.51 119.33 1pf9 n ALA 31 Ca 0.24 -2.14 -0.12 0.00 0.00 0.00 0.00 53.44 51.43 1pf9 n ALA 31 Cb 0.17 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 0.12 -1.55 -2.39 0.00 0.00 -1.26 -5.07 120.51 110.35 1pf9 n ALA 32 Ca 0.36 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1pf9 n ALA 32 Cb 1.31 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.26 2.27 0.00 0.00 0.00 -1.26 -5.19 121.76 114.33 1pf9 s ALA 33 Ca 0.09 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1pf9 s ALA 33 Cb -0.01 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.15 1pf9 s ALA 33 CO 0.52 -0.46 0.00 1.17 0.00 0.00 0.00 175.76 176.98 1pf9 n LYS 34 N -0.70 3.41 -4.27 0.00 3.00 -1.26 -4.72 118.16 113.62 1pf9 n LYS 34 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1pf9 n LYS 34 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.56 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 0.78 2.37 0.00 3.14 0.15 -1.26 -4.27 113.70 114.61 1pf9 s SER 35 Ca 0.00 -0.73 0.12 0.00 0.70 0.00 0.00 55.95 56.04 1pf9 s SER 35 Cb 0.00 -0.12 -0.09 0.00 -1.71 0.00 0.00 66.02 64.10 1pf9 s SER 35 CO 0.00 -0.01 0.56 0.35 1.20 0.00 0.00 173.24 175.35 1pf9 n THR 36 N 0.88 0.00 -2.97 6.45 -2.24 -1.26 -4.87 114.28 110.27 1pf9 n THR 36 Ca -0.18 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 1pf9 n THR 36 Cb 0.55 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.91 3.90 0.00 -0.78 3.00 -1.26 -1.83 118.95 120.07 1pf9 s ARG 37 Ca 0.06 0.60 -0.29 0.00 0.00 0.00 0.00 55.73 56.11 1pf9 s ARG 37 Cb 0.09 -2.39 0.10 0.00 0.00 0.00 0.00 34.95 32.75 1pf9 s ARG 37 CO 0.42 0.04 0.89 0.20 0.00 0.00 0.00 175.30 176.85 1pf9 s GLY 38 N -2.71 -0.46 -0.19 -3.53 0.00 0.07 -2.27 107.32 98.23 1pf9 s GLY 38 Ca 0.53 0.98 -0.09 0.00 0.00 0.00 0.00 44.72 46.15 1pf9 s GLY 38 CO 0.24 0.32 0.10 1.85 0.00 0.00 0.00 173.10 175.61 1pf9 s GLU 39 N -3.13 4.08 -0.07 2.90 2.12 0.02 -0.24 118.70 124.38 1pf9 s GLU 39 Ca 0.05 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.80 1pf9 s GLU 39 Cb -0.01 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 1pf9 s GLU 39 CO -0.09 0.27 1.21 0.08 -0.54 0.00 0.00 175.26 176.20 1pf9 s VAL 40 N 0.40 4.26 -0.17 3.70 1.01 0.39 -0.72 120.40 129.28 1pf9 s VAL 40 Ca 0.06 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.61 1pf9 s VAL 40 Cb -0.12 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1pf9 s VAL 40 CO -0.01 -0.03 -0.15 0.18 0.00 0.00 0.00 175.10 175.09 1pf9 n LEU 41 N 5.45 2.87 -3.96 3.92 4.77 0.10 -0.37 117.00 129.77 1pf9 n LEU 41 Ca 0.11 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1pf9 n LEU 41 Cb 0.46 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1pf9 n LEU 41 CO 0.55 0.76 -0.28 0.00 -1.33 0.00 0.00 177.39 177.09 1pf9 s ALA 42 N -2.33 0.05 0.01 -1.18 0.00 -0.74 -4.72 121.76 112.84 1pf9 s ALA 42 Ca -0.23 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1pf9 s ALA 42 Cb 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1pf9 s ALA 42 CO 0.38 -0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.83 1pf9 s VAL 43 N -2.26 1.05 0.38 0.00 1.01 -1.26 -0.96 120.40 118.37 1pf9 s VAL 43 Ca -0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1pf9 s VAL 43 Cb -0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1pf9 s VAL 43 CO -0.03 0.19 0.67 -0.83 0.00 0.00 0.00 175.10 175.09 1pf9 s GLY 44 N -0.61 1.67 0.23 4.51 0.00 -1.00 -4.61 107.32 107.51 1pf9 s GLY 44 Ca 0.04 -0.53 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 1pf9 s GLY 44 CO 0.00 -0.39 1.55 3.43 0.00 0.00 0.00 173.10 177.69 1pf9 h ASN 45 N 0.97 -1.43 -2.60 1.64 2.35 -1.91 -3.39 115.58 111.21 1pf9 h ASN 45 Ca -0.48 0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1pf9 h ASN 45 Cb 1.20 0.75 0.00 0.00 0.05 0.00 0.00 38.32 40.32 1pf9 h ASN 45 CO 0.63 -0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.73 1pf9 n GLY 46 N -1.47 3.99 3.51 2.83 0.00 -1.26 -3.85 105.19 108.94 1pf9 n GLY 46 Ca 0.10 -1.27 -0.55 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.65 0.31 0.00 1.61 0.63 -1.14 -3.91 116.66 112.51 1pf9 n ARG 47 Ca 0.00 0.11 0.10 0.00 -0.92 0.00 0.00 57.85 57.14 1pf9 n ARG 47 Cb 0.00 -1.55 -0.09 0.00 0.45 0.00 0.00 32.46 31.27 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 1.39 0.01 -1.14 5.15 5.41 -1.26 -2.24 119.36 126.67 1pf9 n ILE 48 Ca 0.19 -0.07 -0.36 0.00 1.00 0.00 0.00 62.75 63.51 1pf9 n ILE 48 Cb 0.14 0.78 0.01 0.00 -0.71 0.00 0.00 39.64 39.87 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 -1.61 -3.63 -1.90 1.39 4.77 -1.26 -3.34 117.00 111.41 1pf9 n LEU 49 Ca 0.03 0.57 -0.16 0.00 -0.03 0.00 0.00 56.01 56.42 1pf9 n LEU 49 Cb 0.36 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1pf9 n LEU 49 CO 0.43 -4.58 -0.14 1.21 -1.33 0.00 0.00 177.39 172.98 1pf9 n GLU 50 N 1.49 -1.95 0.00 3.23 2.13 -1.26 -4.67 120.64 119.60 1pf9 n GLU 50 Ca 0.07 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1pf9 n GLU 50 Cb 0.45 -5.07 0.00 0.00 0.27 0.00 0.00 31.44 27.09 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 -1.06 0.00 -4.35 4.31 5.15 -1.21 -4.78 115.26 113.32 1pf9 n ASN 51 Ca -0.15 0.00 -0.61 0.00 -0.60 0.00 0.00 54.58 53.22 1pf9 n ASN 51 Cb 0.62 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.76 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 -0.06 0.88 8.20 0.00 -1.26 -4.63 105.19 108.31 1pf9 n GLY 52 Ca 0.00 1.09 0.11 0.00 0.00 0.00 0.00 46.02 47.23 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 6.91 -1.90 -3.69 1.61 4.71 -1.26 -4.93 120.64 122.10 1pf9 n GLU 53 Ca 0.50 1.42 -0.28 0.00 -0.01 0.00 0.00 57.16 58.79 1pf9 n GLU 53 Cb -0.03 -2.27 -0.16 0.00 -1.01 0.00 0.00 31.44 27.97 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 -2.76 0.45 0.11 2.62 1.01 -1.26 -4.76 120.40 115.81 1pf9 s VAL 54 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1pf9 s VAL 54 Cb 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1pf9 s VAL 54 CO 0.00 -0.42 1.05 -1.59 0.00 0.00 0.00 175.10 174.14 1pf9 s LYS 55 N 1.87 4.59 1.09 2.72 -2.85 -0.95 -4.89 119.74 121.32 1pf9 s LYS 55 Ca 0.04 1.59 -0.12 0.00 -1.00 0.00 0.00 55.97 56.47 1pf9 s LYS 55 Cb -0.17 -3.35 0.24 0.00 -2.06 0.00 0.00 37.83 32.49 1pf9 s LYS 55 CO -0.17 0.04 1.06 -1.25 0.10 0.00 0.00 175.35 175.12 1pf9 s PRO 56 N 0.22 -0.36 0.12 1.78 0.04 -1.26 -2.88 135.00 132.66 1pf9 s PRO 56 Ca 0.51 0.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 1pf9 s PRO 56 Cb -0.26 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1pf9 s PRO 56 CO 0.31 -3.33 0.36 -0.51 0.04 0.00 0.00 177.00 173.88 1pf9 s LEU 57 N -6.92 4.29 0.00 -3.56 1.43 -1.25 -4.78 118.68 107.89 1pf9 s LEU 57 Ca 0.67 0.60 0.23 0.00 -1.03 0.00 0.00 54.13 54.61 1pf9 s LEU 57 Cb -0.23 -3.20 1.03 0.00 0.03 0.00 0.00 46.19 43.83 1pf9 s LEU 57 CO 0.62 0.09 1.71 0.47 0.23 0.00 0.00 176.35 179.47 1pf9 n ASP 58 N 0.30 1.07 -4.43 2.29 9.92 -1.26 -4.75 116.55 119.69 1pf9 n ASP 58 Ca -0.04 -1.51 -0.34 0.00 -0.53 0.00 0.00 54.79 52.37 1pf9 n ASP 58 Cb 0.52 -0.05 -0.13 0.00 -0.64 0.00 0.00 41.12 40.82 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 -1.91 3.60 0.45 2.53 -7.23 -1.26 -5.12 120.40 111.45 1pf9 s VAL 59 Ca 0.35 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 1pf9 s VAL 59 Cb 0.18 -2.58 -0.00 0.00 0.56 0.00 0.00 36.38 34.54 1pf9 s VAL 59 CO 0.28 0.49 0.66 -1.59 -0.31 0.00 0.00 175.10 174.63 1pf9 s LYS 60 N 0.57 3.07 -0.25 4.82 -2.85 -1.26 -4.94 119.74 118.91 1pf9 s LYS 60 Ca -0.04 -0.50 -0.28 0.00 -1.00 0.00 0.00 55.97 54.14 1pf9 s LYS 60 Cb -0.15 -2.57 -0.04 0.00 -2.06 0.00 0.00 37.83 33.02 1pf9 s LYS 60 CO 0.03 -0.26 1.95 0.08 0.10 0.00 0.00 175.35 177.25 1pf9 s VAL 61 N -2.54 3.29 0.00 1.79 1.01 -1.26 -2.68 120.40 120.01 1pf9 s VAL 61 Ca 0.48 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1pf9 s VAL 61 Cb -0.10 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1pf9 s VAL 61 CO 0.38 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1pf9 n GLY 62 N 5.41 1.15 3.80 4.51 0.00 0.50 -5.00 105.19 115.56 1pf9 n GLY 62 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.73 6.11 -0.23 1.61 1.01 -1.09 -4.70 116.67 117.64 1pf9 s ASP 63 Ca 0.00 1.85 -0.11 0.00 0.71 0.00 0.00 52.55 55.00 1pf9 s ASP 63 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1pf9 s ASP 63 CO 0.00 -0.94 0.18 -0.63 0.21 0.00 0.00 175.17 173.99 1pf9 s ILE 64 N -2.24 5.35 0.02 0.77 1.01 -1.26 -0.46 121.20 124.39 1pf9 s ILE 64 Ca 0.65 0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.56 1pf9 s ILE 64 Cb -0.16 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1pf9 s ILE 64 CO 0.28 0.34 -0.10 0.68 0.00 0.00 0.00 174.94 176.14 1pf9 s VAL 65 N 1.03 0.79 -0.23 2.92 -7.23 0.67 -1.24 120.40 117.12 1pf9 s VAL 65 Ca 0.09 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 1pf9 s VAL 65 Cb -0.13 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1pf9 s VAL 65 CO 0.04 0.01 0.33 -0.63 -0.31 0.00 0.00 175.10 174.54 1pf9 s ILE 66 N -0.66 5.24 0.38 -0.62 1.01 -0.91 -0.75 121.20 124.88 1pf9 s ILE 66 Ca -0.00 0.53 0.07 0.00 0.00 0.00 0.00 60.65 61.25 1pf9 s ILE 66 Cb -0.06 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1pf9 s ILE 66 CO 0.00 0.26 -0.00 0.72 0.00 0.00 0.00 174.94 175.92 1pf9 s PHE 67 N 1.42 2.41 -0.39 3.97 -0.12 -0.76 -1.53 117.98 122.98 1pf9 s PHE 67 Ca 0.15 -0.68 -0.17 0.00 -0.05 0.00 0.00 56.93 56.18 1pf9 s PHE 67 Cb -0.15 -1.64 0.01 0.00 -0.63 0.00 0.00 43.02 40.62 1pf9 s PHE 67 CO 0.08 0.41 0.43 1.21 -0.05 0.00 0.00 175.22 177.29 1pf9 s ASN 68 N -3.66 6.21 -0.99 1.98 3.84 0.02 -4.84 114.94 117.50 1pf9 s ASN 68 Ca 0.35 -0.44 -0.22 0.00 0.21 0.00 0.00 52.86 52.76 1pf9 s ASN 68 Cb 0.09 -2.22 0.06 0.00 -0.55 0.00 0.00 41.25 38.63 1pf9 s ASN 68 CO 0.17 -0.50 1.38 -0.62 -2.79 0.00 0.00 177.10 174.75 1pf9 s ASP 69 N 1.78 6.51 0.00 -4.21 -1.08 -1.26 -4.88 116.67 113.54 1pf9 s ASP 69 Ca 0.13 -1.53 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 1pf9 s ASP 69 Cb -0.17 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1pf9 s ASP 69 CO 0.13 -1.43 0.00 0.61 0.52 0.00 0.00 175.17 175.00 1pf9 n GLY 70 N 6.58 5.09 0.18 2.66 0.00 -1.26 -5.05 105.19 113.40 1pf9 n GLY 70 Ca 0.30 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 0.59 -1.33 1.61 3.20 -2.04 -3.24 116.97 115.77 1pf9 h TYR 71 Ca 0.00 -0.10 0.39 0.00 3.14 0.00 0.00 58.73 62.15 1pf9 h TYR 71 Cb 0.00 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 1pf9 h TYR 71 CO 0.00 0.68 0.95 0.78 -1.64 0.00 0.00 178.16 178.93 1pf9 h GLY 72 N 0.34 0.08 -3.90 1.82 0.00 -1.95 -3.41 103.07 96.04 1pf9 h GLY 72 Ca 0.09 -0.01 -0.50 0.00 0.00 0.00 0.00 47.33 46.90 1pf9 h GLY 72 CO 0.02 -0.01 0.29 0.14 0.00 0.00 0.00 176.54 176.97 1pf9 s VAL 73 N -4.96 4.19 0.13 4.60 1.01 -1.22 -4.57 120.40 119.58 1pf9 s VAL 73 Ca -0.05 1.94 0.07 0.00 0.00 0.00 0.00 61.98 63.95 1pf9 s VAL 73 Cb 0.24 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1pf9 s VAL 73 CO 0.82 0.51 -0.17 -0.54 0.00 0.00 0.00 175.10 175.72 1pf9 s LYS 74 N -1.15 1.13 -0.18 2.72 -0.14 -0.07 -4.93 119.74 117.12 1pf9 s LYS 74 Ca 0.39 -1.27 -0.06 0.00 -1.36 0.00 0.00 55.97 53.67 1pf9 s LYS 74 Cb -0.25 -1.17 -0.03 0.00 -1.68 0.00 0.00 37.83 34.70 1pf9 s LYS 74 CO 0.30 0.24 0.02 0.45 -0.76 0.00 0.00 175.35 175.61 1pf9 s SER 75 N -2.38 5.24 0.21 2.83 0.15 -1.26 -0.67 113.70 117.82 1pf9 s SER 75 Ca 0.10 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.73 1pf9 s SER 75 Cb -0.07 -1.89 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 1pf9 s SER 75 CO 0.05 0.14 0.05 -1.61 1.20 0.00 0.00 173.24 173.07 1pf9 s GLU 76 N 0.53 1.24 -0.23 5.44 0.41 -0.80 -5.02 118.70 120.27 1pf9 s GLU 76 Ca 0.01 -1.63 0.01 0.00 -0.41 0.00 0.00 54.97 52.95 1pf9 s GLU 76 Cb -0.13 -0.24 0.06 0.00 -1.78 0.00 0.00 34.13 32.04 1pf9 s GLU 76 CO 0.02 -0.21 -0.08 0.21 -0.49 0.00 0.00 175.26 174.71 1pf9 s LYS 77 N -3.98 1.88 -0.23 1.61 2.47 -1.26 -2.48 119.74 117.75 1pf9 s LYS 77 Ca 0.30 -1.06 -0.00 0.00 -1.56 0.00 0.00 55.97 53.65 1pf9 s LYS 77 Cb 0.07 -2.64 0.03 0.00 -1.46 0.00 0.00 37.83 33.83 1pf9 s LYS 77 CO 0.08 -0.56 -0.11 0.42 0.16 0.00 0.00 175.35 175.35 1pf9 s ILE 78 N 1.31 2.55 -1.80 5.43 1.09 -1.10 -4.58 121.20 124.11 1pf9 s ILE 78 Ca -0.06 -1.06 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 1pf9 s ILE 78 Cb -0.19 -2.26 0.00 0.00 -1.06 0.00 0.00 42.46 38.96 1pf9 s ILE 78 CO -0.06 0.28 0.00 0.47 -0.10 0.00 0.00 174.94 175.53 1pf9 n ASP 79 N 4.63 -5.49 -1.86 3.58 8.00 -1.26 -2.14 116.55 122.01 1pf9 n ASP 79 Ca -0.18 0.42 -0.06 0.00 0.71 0.00 0.00 54.79 55.68 1pf9 n ASP 79 Cb 0.47 -4.48 0.03 0.00 -0.02 0.00 0.00 41.12 37.12 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 -1.20 -2.02 -3.92 -2.24 2.85 -1.26 -5.10 115.26 102.37 1pf9 n ASN 80 Ca -0.17 -0.22 -0.14 0.00 -0.11 0.00 0.00 54.58 53.94 1pf9 n ASN 80 Cb 0.63 -2.14 -0.14 0.00 1.24 0.00 0.00 39.78 39.37 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 -4.49 0.21 -0.23 1.20 8.01 -0.91 -5.13 118.70 117.37 1pf9 s GLU 81 Ca 0.00 -0.10 -0.29 0.00 0.01 0.00 0.00 54.97 54.59 1pf9 s GLU 81 Cb -0.00 -0.20 -0.02 0.00 -4.31 0.00 0.00 34.13 29.60 1pf9 s GLU 81 CO 0.26 0.05 1.46 -1.21 0.01 0.00 0.00 175.26 175.84 1pf9 s GLU 82 N -0.09 3.92 0.13 1.61 0.41 -1.26 -2.70 118.70 120.72 1pf9 s GLU 82 Ca 0.01 1.55 0.06 0.00 -0.41 0.00 0.00 54.97 56.18 1pf9 s GLU 82 Cb -0.01 -3.94 -0.04 0.00 -1.78 0.00 0.00 34.13 28.36 1pf9 s GLU 82 CO -0.00 -1.13 -0.14 0.14 -0.49 0.00 0.00 175.26 173.64 1pf9 s VAL 83 N 4.62 1.36 -0.02 2.63 -7.23 -1.04 -4.45 120.40 116.28 1pf9 s VAL 83 Ca 0.64 -1.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.06 1pf9 s VAL 83 Cb -0.22 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 1pf9 s VAL 83 CO 0.25 -0.48 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.58 1pf9 s LEU 84 N -2.65 2.05 -0.30 1.32 1.02 0.21 -1.90 118.68 118.43 1pf9 s LEU 84 Ca 0.11 -0.41 0.03 0.00 0.02 0.00 0.00 54.13 53.89 1pf9 s LEU 84 Cb -0.03 -1.15 0.08 0.00 0.02 0.00 0.00 46.19 45.11 1pf9 s LEU 84 CO 0.03 0.27 -0.02 -0.63 0.02 0.00 0.00 176.35 176.02 1pf9 s ILE 85 N -0.53 2.10 0.22 -0.59 1.01 0.16 -0.70 121.20 122.87 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 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1pf9 s ILE 85 CO -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 174.94 174.65 1pf9 s MET 86 N 1.06 1.27 0.49 2.79 0.23 -1.00 -0.89 119.30 123.25 1pf9 s MET 86 Ca 0.01 -1.65 -0.05 0.00 -1.03 0.00 0.00 55.69 52.98 1pf9 s MET 86 Cb -0.19 -0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 32.71 1pf9 s MET 86 CO -0.07 -0.17 0.79 -1.54 -2.03 0.00 0.00 175.02 171.99 1pf9 s SER 87 N -3.26 6.12 0.47 -1.18 1.04 -1.26 0.43 113.70 116.05 1pf9 s SER 87 Ca 0.30 0.82 0.23 0.00 0.48 0.00 0.00 55.95 57.78 1pf9 s SER 87 Cb 0.07 -2.09 1.25 0.00 0.10 0.00 0.00 66.02 65.34 1pf9 s SER 87 CO 0.08 -0.66 1.88 -0.08 0.98 0.00 0.00 173.24 175.44 1pf9 h GLU 88 N 0.19 0.23 -0.70 4.02 4.81 -1.81 0.86 114.58 122.17 1pf9 h GLU 88 Ca -0.47 -0.01 0.20 0.00 -0.13 0.00 0.00 59.36 58.95 1pf9 h GLU 88 Cb 1.22 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1pf9 h GLU 88 CO 0.61 0.15 0.56 0.77 -0.73 0.00 0.00 179.01 180.37 1pf9 h SER 89 N 0.23 0.00 0.75 1.04 0.02 -1.93 0.11 113.55 113.77 1pf9 h SER 89 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1pf9 h SER 89 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1pf9 h SER 89 CO -0.11 0.00 -0.86 0.47 -1.14 0.00 0.00 176.83 175.19 1pf9 n ASP 90 N -4.11 0.70 -4.68 3.07 8.00 0.29 -4.82 116.55 115.00 1pf9 n ASP 90 Ca 0.14 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 1pf9 n ASP 90 Cb 0.82 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 42.34 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 -3.23 4.82 -0.25 0.53 1.01 0.38 -0.80 121.20 123.67 1pf9 s ILE 91 Ca 0.04 1.86 0.03 0.00 0.00 0.00 0.00 60.65 62.57 1pf9 s ILE 91 Cb 0.13 -4.24 -0.18 0.00 0.01 0.00 0.00 42.46 38.18 1pf9 s ILE 91 CO 0.76 0.00 -0.17 0.18 0.00 0.00 0.00 174.94 175.72 1pf9 n LEU 92 N 5.17 2.77 -3.90 2.97 4.77 -0.58 -4.97 117.00 123.23 1pf9 n LEU 92 Ca 0.07 -0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1pf9 n LEU 92 Cb 0.49 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1pf9 n LEU 92 CO 0.50 0.91 0.39 0.00 -1.33 0.00 0.00 177.39 177.86 1pf9 s ALA 93 N -2.52 -0.84 -0.07 -1.18 0.00 -1.04 -5.03 121.76 111.09 1pf9 s ALA 93 Ca -0.33 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1pf9 s ALA 93 Cb 0.09 0.90 -0.00 0.00 0.00 0.00 0.00 23.12 24.10 1pf9 s ALA 93 CO 0.62 -0.98 -0.21 0.42 0.00 0.00 0.00 175.76 175.62 1pf9 s ILE 94 N -3.71 1.79 -0.28 0.00 1.01 -1.26 -2.14 121.20 116.61 1pf9 s ILE 94 Ca 0.15 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1pf9 s ILE 94 Cb -0.04 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1pf9 s ILE 94 CO 0.09 0.50 0.64 -0.69 0.00 0.00 0.00 174.94 175.48 1pf9 s VAL 95 N 0.15 4.95 0.00 2.92 1.01 -0.37 -4.96 120.40 124.10 1pf9 s VAL 95 Ca -0.10 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1pf9 s VAL 95 Cb -0.15 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1pf9 s VAL 95 CO 0.05 -0.07 0.00 -0.62 0.00 0.00 0.00 175.10 174.46 1pf9 n GLU 96 N 5.82 3.15 -0.28 2.72 1.02 -1.26 -4.51 120.64 127.30 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