#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 1.33 -4.43 3.17 6.94 -1.26 -4.71 115.26 116.29 1pf9 n ASN 2 Ca 0.00 -2.00 -0.30 0.00 -0.02 0.00 0.00 54.58 52.26 1pf9 n ASN 2 Cb 0.00 -0.36 -0.13 0.00 -2.36 0.00 0.00 39.78 36.94 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 -1.77 2.56 -0.39 1.53 1.09 -1.26 -5.11 121.20 117.85 1pf9 s ILE 3 Ca 0.45 -1.50 0.02 0.00 -1.10 0.00 0.00 60.65 58.53 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 0.29 0.19 0.14 -0.60 -0.10 0.00 0.00 174.94 174.86 1pf9 s ARG 4 N -1.84 1.34 0.53 2.79 6.06 -1.26 -4.92 118.95 121.66 1pf9 s ARG 4 Ca 0.15 -1.85 -0.21 0.00 -2.50 0.00 0.00 55.73 51.32 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 -1.03 1.25 -1.25 -2.50 0.00 0.00 175.30 171.83 1pf9 s PRO 5 N 0.72 3.29 -0.92 5.12 0.04 -1.26 -4.94 135.00 137.06 1pf9 s PRO 5 Ca 0.13 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.98 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 -0.09 -0.98 0.99 -1.17 0.04 0.00 0.00 177.00 175.79 1pf9 s LEU 6 N -3.52 5.89 0.00 -3.56 1.98 -1.26 -4.26 118.68 113.94 1pf9 s LEU 6 Ca 0.71 -2.49 0.00 0.00 -2.89 0.00 0.00 54.13 49.45 1pf9 s LEU 6 Cb -0.33 -2.30 0.00 0.00 0.66 0.00 0.00 46.19 44.21 1pf9 s LEU 6 CO 0.39 -0.78 0.00 0.00 -1.89 0.00 0.00 176.35 174.07 1pf9 n HIS 7 N 5.11 0.00 0.00 5.38 1.44 -1.26 -3.96 115.22 121.92 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 1.36 0.00 -4.78 4.39 2.03 -1.26 -4.61 116.55 113.68 1pf9 n ASP 8 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 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 4.24 -0.05 -0.67 1.81 -1.25 -2.30 118.95 120.72 1pf9 s ARG 9 Ca 0.00 1.55 0.03 0.00 -1.72 0.00 0.00 55.73 55.59 1pf9 s ARG 9 Cb 0.00 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 1pf9 s ARG 9 CO 0.00 -0.08 -0.16 0.08 -0.68 0.00 0.00 175.30 174.47 1pf9 s VAL 10 N -1.59 1.34 -0.34 3.52 1.01 0.24 -2.36 120.40 122.22 1pf9 s VAL 10 Ca 0.56 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1pf9 s VAL 10 Cb -0.23 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1pf9 s VAL 10 CO 0.29 0.39 0.26 -0.63 0.00 0.00 0.00 175.10 175.42 1pf9 s ILE 11 N 0.28 5.27 0.30 2.22 1.01 0.02 -2.45 121.20 127.85 1pf9 s ILE 11 Ca -0.09 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1pf9 s ILE 11 Cb -0.13 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1pf9 s ILE 11 CO 0.03 -0.04 -0.06 0.68 0.00 0.00 0.00 174.94 175.56 1pf9 s VAL 12 N 1.77 1.76 -0.03 2.92 -7.23 0.07 -0.06 120.40 119.61 1pf9 s VAL 12 Ca 0.07 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.17 1pf9 s VAL 12 Cb -0.17 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 1pf9 s VAL 12 CO 0.11 -0.25 -0.20 -1.59 -0.31 0.00 0.00 175.10 172.87 1pf9 s LYS 13 N -3.71 1.77 0.83 4.82 -2.85 0.30 0.56 119.74 121.45 1pf9 s LYS 13 Ca 0.31 -0.70 -0.12 0.00 -1.00 0.00 0.00 55.97 54.47 1pf9 s LYS 13 Cb 0.04 -1.62 0.09 0.00 -2.06 0.00 0.00 37.83 34.28 1pf9 s LYS 13 CO 0.13 0.36 1.10 0.50 0.10 0.00 0.00 175.35 177.55 1pf9 s ARG 14 N -0.27 1.81 0.00 1.78 3.52 -1.26 -0.73 118.95 123.80 1pf9 s ARG 14 Ca 0.03 0.65 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 1pf9 s ARG 14 Cb -0.10 -1.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1pf9 s ARG 14 CO 0.01 -1.81 0.00 1.63 -0.81 0.00 0.00 175.30 174.31 1pf9 n LYS 15 N -3.57 2.80 -2.21 5.12 5.02 -0.94 -4.80 118.16 119.59 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 0.56 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 -0.57 4.06 -0.59 1.97 0.41 -1.26 -4.75 118.70 117.97 1pf9 s GLU 16 Ca 0.00 1.78 -0.26 0.00 -0.41 0.00 0.00 54.97 56.08 1pf9 s GLU 16 Cb 0.00 -3.92 -0.08 0.00 -1.78 0.00 0.00 34.13 28.34 1pf9 s GLU 16 CO 0.00 -0.96 2.37 0.08 -0.49 0.00 0.00 175.26 176.26 1pf9 s VAL 17 N 4.24 3.04 -0.92 2.63 1.01 -1.26 -3.40 120.40 125.73 1pf9 s VAL 17 Ca 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 1pf9 s VAL 17 Cb -0.26 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1pf9 s VAL 17 CO 0.24 -0.09 0.73 -0.62 0.00 0.00 0.00 175.10 175.37 1pf9 n GLU 18 N 8.97 -1.43 -1.68 2.72 1.02 -1.26 -4.85 120.64 124.13 1pf9 n GLU 18 Ca 0.39 0.92 -0.48 0.00 -0.02 0.00 0.00 57.16 57.97 1pf9 n GLU 18 Cb 0.51 -4.47 -0.05 0.00 -0.02 0.00 0.00 31.44 27.42 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 -2.91 0.36 -2.11 2.62 -1.04 -1.22 -4.77 114.28 105.21 1pf9 n THR 19 Ca -0.11 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.55 1pf9 n THR 19 Cb 0.59 -1.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.34 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 2.88 2.62 0.00 -2.82 3.01 -1.26 -3.81 119.74 120.36 1pf9 s LYS 20 Ca 0.88 -1.04 0.00 0.00 -1.01 0.00 0.00 55.97 54.80 1pf9 s LYS 20 Cb -0.71 -5.23 0.00 0.00 -1.01 0.00 0.00 37.83 30.88 1pf9 s LYS 20 CO 0.47 -3.72 0.00 -1.13 0.51 0.00 0.00 175.35 171.49 1pf9 n SER 21 N 13.81 0.00 -4.51 2.83 3.41 -1.25 -4.63 113.62 123.28 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 64.46 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 -0.57 -0.77 -0.12 7.33 0.00 -1.25 -1.79 120.51 123.35 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 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 1.63 2.63 0.00 0.00 0.00 -1.26 -4.35 105.19 103.84 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 1.38 0.10 -0.02 0.00 -0.74 -4.65 105.19 99.25 1pf9 n GLY 24 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 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 0.63 -2.65 -0.61 2.04 -1.84 -3.44 117.51 111.65 1pf9 h ILE 25 Ca 0.00 -2.17 -0.52 0.00 1.00 0.00 0.00 64.86 63.16 1pf9 h ILE 25 Cb 0.00 2.16 0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1pf9 h ILE 25 CO 0.00 0.36 1.02 -0.69 0.00 0.00 0.00 178.15 178.85 1pf9 s VAL 26 N -2.87 2.16 -0.65 1.67 1.01 -1.26 -4.86 120.40 115.59 1pf9 s VAL 26 Ca -0.02 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1pf9 s VAL 26 Cb 0.08 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1pf9 s VAL 26 CO 0.81 0.00 2.94 0.18 0.00 0.00 0.00 175.10 179.03 1pf9 n LEU 27 N 4.31 6.75 -2.82 3.92 4.32 -1.26 -3.77 117.00 128.46 1pf9 n LEU 27 Ca 0.16 -4.04 -0.19 0.00 -0.02 0.00 0.00 56.01 51.92 1pf9 n LEU 27 Cb 0.36 -1.35 -0.12 0.00 -1.62 0.00 0.00 43.42 40.69 1pf9 n LEU 27 CO 0.64 1.83 1.35 1.07 -1.22 0.00 0.00 177.39 181.06 1pf9 n THR 28 N 1.79 0.00 -1.71 -5.08 5.66 -1.26 -4.83 114.28 108.85 1pf9 n THR 28 Ca 0.54 -0.17 -0.37 0.00 -3.05 0.00 0.00 64.05 61.00 1pf9 n THR 28 Cb 0.55 -0.14 0.07 0.00 -1.55 0.00 0.00 70.33 69.26 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 2.51 2.80 -0.22 1.09 0.00 -1.26 -4.59 107.32 107.64 1pf9 s GLY 29 Ca 0.84 1.17 -0.39 0.00 0.00 0.00 0.00 44.72 46.34 1pf9 s GLY 29 CO 0.33 1.60 1.71 -1.26 0.00 0.00 0.00 173.10 175.48 1pf9 n SER 30 N -1.99 2.40 -1.95 1.64 2.88 -1.26 -4.85 113.62 110.48 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 0.48 -1.17 0.33 0.00 -0.75 0.00 0.00 64.21 63.10 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 5.15 4.34 -2.86 -1.46 0.00 -1.26 -4.89 120.51 119.52 1pf9 n ALA 31 Ca 0.25 -2.13 -0.11 0.00 0.00 0.00 0.00 53.44 51.45 1pf9 n ALA 31 Cb 0.15 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 0.10 -1.47 -2.40 0.00 0.00 -1.26 -5.08 120.51 110.39 1pf9 n ALA 32 Ca 0.36 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 1pf9 n ALA 32 Cb 1.31 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.26 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 2.35 0.00 0.00 0.00 -1.26 -5.19 121.76 114.41 1pf9 s ALA 33 Ca 0.09 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1pf9 s ALA 33 Cb -0.01 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.13 1pf9 s ALA 33 CO 0.49 -0.46 0.00 1.17 0.00 0.00 0.00 175.76 176.96 1pf9 n LYS 34 N -0.72 3.33 -4.25 0.00 3.00 -1.26 -4.73 118.16 113.53 1pf9 n LYS 34 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.08 1pf9 n LYS 34 Cb 0.65 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 0.65 2.28 0.00 3.14 0.15 -1.26 -4.28 113.70 114.37 1pf9 s SER 35 Ca 0.00 -0.67 0.12 0.00 0.70 0.00 0.00 55.95 56.10 1pf9 s SER 35 Cb 0.00 -0.11 -0.08 0.00 -1.71 0.00 0.00 66.02 64.12 1pf9 s SER 35 CO 0.00 0.01 0.59 0.35 1.20 0.00 0.00 173.24 175.39 1pf9 n THR 36 N 1.11 0.00 -3.10 6.45 -2.24 -1.26 -4.86 114.28 110.38 1pf9 n THR 36 Ca -0.20 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 1pf9 n THR 36 Cb 0.54 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.89 3.95 -0.01 -0.78 3.00 -1.26 -1.81 118.95 120.15 1pf9 s ARG 37 Ca 0.07 0.62 -0.29 0.00 0.00 0.00 0.00 55.73 56.13 1pf9 s ARG 37 Cb 0.09 -2.43 0.10 0.00 0.00 0.00 0.00 34.95 32.72 1pf9 s ARG 37 CO 0.41 0.13 0.88 0.20 0.00 0.00 0.00 175.30 176.92 1pf9 s GLY 38 N -2.44 -0.46 -0.19 -3.53 0.00 -0.05 -2.22 107.32 98.43 1pf9 s GLY 38 Ca 0.53 1.06 -0.08 0.00 0.00 0.00 0.00 44.72 46.24 1pf9 s GLY 38 CO 0.20 0.38 0.09 1.85 0.00 0.00 0.00 173.10 175.62 1pf9 s GLU 39 N -2.99 4.03 -0.08 2.90 2.12 0.09 -0.20 118.70 124.58 1pf9 s GLU 39 Ca 0.04 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 1pf9 s GLU 39 Cb -0.01 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1pf9 s GLU 39 CO -0.08 0.31 1.16 0.08 -0.54 0.00 0.00 175.26 176.18 1pf9 s VAL 40 N 0.30 4.38 -0.17 3.70 1.01 0.33 -0.54 120.40 129.42 1pf9 s VAL 40 Ca 0.05 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1pf9 s VAL 40 Cb -0.12 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 1pf9 s VAL 40 CO -0.01 -0.01 -0.16 0.18 0.00 0.00 0.00 175.10 175.11 1pf9 n LEU 41 N 5.25 2.79 -3.96 3.92 4.77 0.92 -0.46 117.00 130.23 1pf9 n LEU 41 Ca 0.11 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1pf9 n LEU 41 Cb 0.47 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 1pf9 n LEU 41 CO 0.54 0.73 -0.27 0.00 -1.33 0.00 0.00 177.39 177.07 1pf9 s ALA 42 N -2.33 0.04 0.01 -1.18 0.00 -0.78 -4.72 121.76 112.80 1pf9 s ALA 42 Ca -0.23 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1pf9 s ALA 42 Cb 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1pf9 s ALA 42 CO 0.37 -0.28 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 1pf9 s VAL 43 N -2.40 0.97 0.38 0.00 1.01 -1.26 -0.80 120.40 118.31 1pf9 s VAL 43 Ca -0.07 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1pf9 s VAL 43 Cb -0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1pf9 s VAL 43 CO -0.04 0.15 0.68 -0.83 0.00 0.00 0.00 175.10 175.07 1pf9 s GLY 44 N -0.61 1.72 0.21 4.51 0.00 -0.99 -4.60 107.32 107.56 1pf9 s GLY 44 Ca 0.03 -0.48 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 1pf9 s GLY 44 CO 0.00 -0.34 1.43 0.70 0.00 0.00 0.00 173.10 174.89 1pf9 n ASN 45 N -1.50 -0.64 0.00 1.64 3.02 -1.26 -4.35 115.26 112.17 1pf9 n ASN 45 Ca -0.00 1.61 0.00 0.00 -0.03 0.00 0.00 54.58 56.16 1pf9 n ASN 45 Cb 0.54 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.42 4.03 3.52 7.41 0.00 -1.26 -3.91 105.19 113.56 1pf9 n GLY 46 Ca 0.09 -1.25 -0.52 0.00 0.00 0.00 0.00 46.02 44.34 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 0.56 0.00 1.61 0.63 -1.12 -3.98 116.66 112.70 1pf9 n ARG 47 Ca 0.00 0.20 0.10 0.00 -0.92 0.00 0.00 57.85 57.23 1pf9 n ARG 47 Cb 0.00 -1.61 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 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 1.26 0.02 -1.14 5.15 5.41 -1.26 -2.29 119.36 126.50 1pf9 n ILE 48 Ca 0.17 -0.10 -0.36 0.00 1.00 0.00 0.00 62.75 63.46 1pf9 n ILE 48 Cb 0.19 0.71 0.01 0.00 -0.71 0.00 0.00 39.64 39.84 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 -1.66 -3.66 -1.97 1.39 4.77 -1.26 -3.33 117.00 111.28 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 0.38 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1pf9 n LEU 49 CO 0.43 -4.61 -0.12 1.21 -1.33 0.00 0.00 177.39 172.97 1pf9 n GLU 50 N 1.51 -2.18 0.00 3.23 2.13 -1.26 -4.67 120.64 119.40 1pf9 n GLU 50 Ca 0.06 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1pf9 n GLU 50 Cb 0.45 -5.08 0.00 0.00 0.27 0.00 0.00 31.44 27.08 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 -1.21 -4.78 115.26 113.21 1pf9 n ASN 51 Ca -0.14 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 -0.01 0.96 8.20 0.00 -1.26 -4.63 105.19 108.45 1pf9 n GLY 52 Ca 0.00 1.08 0.12 0.00 0.00 0.00 0.00 46.02 47.22 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 6.65 -2.09 -3.69 1.61 4.71 -1.26 -4.93 120.64 121.65 1pf9 n GLU 53 Ca 0.48 1.56 -0.28 0.00 -0.01 0.00 0.00 57.16 58.90 1pf9 n GLU 53 Cb -0.03 -2.49 -0.16 0.00 -1.01 0.00 0.00 31.44 27.75 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 -2.83 0.43 0.09 2.62 1.01 -1.26 -4.75 120.40 115.71 1pf9 s VAL 54 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1pf9 s VAL 54 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 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 1.88 4.60 1.07 2.72 -2.85 -0.97 -4.89 119.74 121.30 1pf9 s LYS 55 Ca 0.04 1.54 -0.12 0.00 -1.00 0.00 0.00 55.97 56.42 1pf9 s LYS 55 Cb -0.17 -3.38 0.23 0.00 -2.06 0.00 0.00 37.83 32.46 1pf9 s LYS 55 CO -0.17 0.05 1.06 -1.25 0.10 0.00 0.00 175.35 175.14 1pf9 s PRO 56 N 0.37 -0.18 0.15 1.78 0.04 -1.26 -2.80 135.00 133.10 1pf9 s PRO 56 Ca 0.50 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 1pf9 s PRO 56 Cb -0.25 -1.64 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1pf9 s PRO 56 CO 0.30 -3.22 0.39 -0.51 0.04 0.00 0.00 177.00 174.00 1pf9 s LEU 57 N -6.87 4.26 0.00 -3.56 1.43 -1.25 -4.79 118.68 107.90 1pf9 s LEU 57 Ca 0.67 0.62 0.25 0.00 -1.03 0.00 0.00 54.13 54.64 1pf9 s LEU 57 Cb -0.22 -3.35 1.12 0.00 0.03 0.00 0.00 46.19 43.77 1pf9 s LEU 57 CO 0.61 0.04 1.76 0.47 0.23 0.00 0.00 176.35 179.47 1pf9 n ASP 58 N 0.06 1.04 -4.51 2.29 9.92 -1.26 -4.76 116.55 119.32 1pf9 n ASP 58 Ca -0.02 -1.46 -0.34 0.00 -0.53 0.00 0.00 54.79 52.44 1pf9 n ASP 58 Cb 0.52 -0.03 -0.12 0.00 -0.64 0.00 0.00 41.12 40.85 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 -1.93 3.96 0.42 2.53 -7.23 -1.26 -5.12 120.40 111.76 1pf9 s VAL 59 Ca 0.36 -0.33 0.02 0.00 -1.81 0.00 0.00 61.98 60.22 1pf9 s VAL 59 Cb 0.19 -2.74 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 1pf9 s VAL 59 CO 0.30 0.50 0.61 -1.59 -0.31 0.00 0.00 175.10 174.61 1pf9 s LYS 60 N 0.31 3.08 -0.23 4.82 -2.85 -1.26 -4.95 119.74 118.65 1pf9 s LYS 60 Ca -0.03 -0.65 -0.28 0.00 -1.00 0.00 0.00 55.97 54.01 1pf9 s LYS 60 Cb -0.14 -2.64 -0.04 0.00 -2.06 0.00 0.00 37.83 32.95 1pf9 s LYS 60 CO 0.03 -0.17 2.00 0.08 0.10 0.00 0.00 175.35 177.38 1pf9 s VAL 61 N -2.44 3.23 0.00 1.79 1.01 -1.26 -2.69 120.40 120.04 1pf9 s VAL 61 Ca 0.47 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1pf9 s VAL 61 Cb -0.10 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.00 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 5.42 1.15 3.79 4.51 0.00 0.40 -5.00 105.19 115.47 1pf9 n GLY 62 Ca 0.26 0.00 -0.34 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 -1.61 5.98 -0.23 1.61 1.01 -1.10 -4.69 116.67 117.65 1pf9 s ASP 63 Ca 0.00 1.93 -0.11 0.00 0.71 0.00 0.00 52.55 55.08 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 -1.03 0.20 -0.63 0.21 0.00 0.00 175.17 173.92 1pf9 s ILE 64 N -2.13 5.33 0.02 0.77 1.01 -1.26 -0.51 121.20 124.43 1pf9 s ILE 64 Ca 0.67 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.62 1pf9 s ILE 64 Cb -0.18 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1pf9 s ILE 64 CO 0.28 0.33 -0.10 0.68 0.00 0.00 0.00 174.94 176.13 1pf9 s VAL 65 N 1.09 0.81 -0.21 2.92 -7.23 0.72 -1.28 120.40 117.21 1pf9 s VAL 65 Ca 0.09 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.38 1pf9 s VAL 65 Cb -0.14 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1pf9 s VAL 65 CO 0.05 0.01 0.36 -0.63 -0.31 0.00 0.00 175.10 174.58 1pf9 s ILE 66 N -0.66 5.22 0.35 -0.62 1.01 -0.90 -0.88 121.20 124.72 1pf9 s ILE 66 Ca 0.00 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.34 1pf9 s ILE 66 Cb -0.06 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 1pf9 s ILE 66 CO 0.00 0.26 -0.02 0.72 0.00 0.00 0.00 174.94 175.90 1pf9 s PHE 67 N 1.34 2.28 -0.40 3.97 -0.12 -0.75 -1.44 117.98 122.86 1pf9 s PHE 67 Ca 0.17 -0.70 -0.18 0.00 -0.05 0.00 0.00 56.93 56.17 1pf9 s PHE 67 Cb -0.15 -1.47 0.01 0.00 -0.63 0.00 0.00 43.02 40.79 1pf9 s PHE 67 CO 0.08 0.36 0.49 1.21 -0.05 0.00 0.00 175.22 177.30 1pf9 s ASN 68 N -3.59 6.25 -1.03 1.98 3.84 -0.02 -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 0.07 -2.25 0.06 0.00 -0.55 0.00 0.00 41.25 38.58 1pf9 s ASN 68 CO 0.16 -0.57 1.43 -0.62 -2.79 0.00 0.00 177.10 174.71 1pf9 s ASP 69 N 1.83 6.53 0.00 -4.21 -1.08 -1.26 -4.88 116.67 113.60 1pf9 s ASP 69 Ca 0.16 -1.57 0.00 0.00 -0.52 0.00 0.00 52.55 50.62 1pf9 s ASP 69 Cb -0.16 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1pf9 s ASP 69 CO 0.14 -1.44 0.00 0.61 0.52 0.00 0.00 175.17 175.00 1pf9 n GLY 70 N 6.66 5.29 0.19 2.66 0.00 -1.26 -5.05 105.19 113.68 1pf9 n GLY 70 Ca 0.33 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 0.63 -1.35 1.61 3.20 -2.04 -3.21 116.97 115.81 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 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.04 1pf9 h TYR 71 CO 0.00 0.70 0.96 0.78 -1.64 0.00 0.00 178.16 178.96 1pf9 h GLY 72 N 0.38 0.19 -3.93 1.82 0.00 -1.95 -3.41 103.07 96.18 1pf9 h GLY 72 Ca 0.09 -0.03 -0.51 0.00 0.00 0.00 0.00 47.33 46.89 1pf9 h GLY 72 CO 0.02 -0.04 0.28 0.14 0.00 0.00 0.00 176.54 176.94 1pf9 s VAL 73 N -5.00 4.21 0.14 4.60 1.01 -1.22 -4.57 120.40 119.57 1pf9 s VAL 73 Ca -0.06 1.93 0.08 0.00 0.00 0.00 0.00 61.98 63.94 1pf9 s VAL 73 Cb 0.24 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1pf9 s VAL 73 CO 0.83 0.50 -0.18 -0.54 0.00 0.00 0.00 175.10 175.71 1pf9 s LYS 74 N -1.10 1.17 -0.18 2.72 -0.14 0.18 -4.93 119.74 117.45 1pf9 s LYS 74 Ca 0.39 -1.30 -0.06 0.00 -1.36 0.00 0.00 55.97 53.65 1pf9 s LYS 74 Cb -0.25 -1.24 -0.03 0.00 -1.68 0.00 0.00 37.83 34.63 1pf9 s LYS 74 CO 0.30 0.26 0.02 0.45 -0.76 0.00 0.00 175.35 175.61 1pf9 s SER 75 N -2.40 5.16 0.21 2.83 0.15 -1.26 -0.63 113.70 117.76 1pf9 s SER 75 Ca 0.11 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.72 1pf9 s SER 75 Cb -0.07 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.32 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 0.56 1.22 -0.24 5.44 0.41 -0.78 -5.02 118.70 120.30 1pf9 s GLU 76 Ca 0.00 -1.62 0.01 0.00 -0.41 0.00 0.00 54.97 52.95 1pf9 s GLU 76 Cb -0.14 -0.23 0.06 0.00 -1.78 0.00 0.00 34.13 32.04 1pf9 s GLU 76 CO 0.02 -0.21 -0.07 0.21 -0.49 0.00 0.00 175.26 174.72 1pf9 s LYS 77 N -3.97 1.81 -0.23 1.61 2.47 -1.26 -2.51 119.74 117.65 1pf9 s LYS 77 Ca 0.30 -1.05 -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 -0.57 -0.10 0.42 0.16 0.00 0.00 175.35 175.33 1pf9 s ILE 78 N 1.33 2.60 -1.67 5.43 1.09 -1.09 -4.56 121.20 124.33 1pf9 s ILE 78 Ca -0.06 -1.05 0.00 0.00 -1.10 0.00 0.00 60.65 58.44 1pf9 s ILE 78 Cb -0.19 -2.28 0.00 0.00 -1.06 0.00 0.00 42.46 38.93 1pf9 s ILE 78 CO -0.06 0.27 0.00 0.47 -0.10 0.00 0.00 174.94 175.52 1pf9 n ASP 79 N 4.63 -5.50 -1.76 3.58 8.00 -1.26 -2.11 116.55 122.14 1pf9 n ASP 79 Ca -0.17 0.39 -0.05 0.00 0.71 0.00 0.00 54.79 55.66 1pf9 n ASP 79 Cb 0.47 -4.38 0.03 0.00 -0.02 0.00 0.00 41.12 37.22 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 -1.16 -2.05 -3.94 -2.24 2.85 -1.26 -5.10 115.26 102.35 1pf9 n ASN 80 Ca -0.16 -0.19 -0.14 0.00 -0.11 0.00 0.00 54.58 53.98 1pf9 n ASN 80 Cb 0.62 -1.96 -0.14 0.00 1.24 0.00 0.00 39.78 39.54 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 -4.46 0.28 -0.25 1.20 8.01 -0.90 -5.13 118.70 117.46 1pf9 s GLU 81 Ca 0.01 -0.20 -0.29 0.00 0.01 0.00 0.00 54.97 54.49 1pf9 s GLU 81 Cb -0.00 -0.23 -0.01 0.00 -4.31 0.00 0.00 34.13 29.58 1pf9 s GLU 81 CO 0.23 0.06 1.40 -1.21 0.01 0.00 0.00 175.26 175.75 1pf9 s GLU 82 N -0.30 3.93 0.12 1.61 0.41 -1.26 -2.67 118.70 120.54 1pf9 s GLU 82 Ca -0.01 1.45 0.06 0.00 -0.41 0.00 0.00 54.97 56.06 1pf9 s GLU 82 Cb -0.03 -3.91 -0.04 0.00 -1.78 0.00 0.00 34.13 28.37 1pf9 s GLU 82 CO -0.00 -1.11 -0.14 0.14 -0.49 0.00 0.00 175.26 173.66 1pf9 s VAL 83 N 4.49 1.34 -0.02 2.63 -7.23 -1.05 -4.44 120.40 116.12 1pf9 s VAL 83 Ca 0.61 -1.72 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1pf9 s VAL 83 Cb -0.20 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1pf9 s VAL 83 CO 0.24 -0.41 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.61 1pf9 s LEU 84 N -2.46 2.05 -0.29 1.32 1.02 0.19 -1.86 118.68 118.64 1pf9 s LEU 84 Ca 0.09 -0.44 0.03 0.00 0.02 0.00 0.00 54.13 53.84 1pf9 s LEU 84 Cb -0.05 -1.24 0.08 0.00 0.02 0.00 0.00 46.19 45.00 1pf9 s LEU 84 CO 0.03 0.29 -0.03 -0.63 0.02 0.00 0.00 176.35 176.03 1pf9 s ILE 85 N -0.55 2.15 0.19 -0.59 1.01 0.19 -0.75 121.20 122.86 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 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 1pf9 s ILE 85 CO -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 174.94 174.64 1pf9 s MET 86 N 1.04 1.17 0.52 2.79 0.23 -1.02 -0.65 119.30 123.38 1pf9 s MET 86 Ca 0.00 -1.57 -0.05 0.00 -1.03 0.00 0.00 55.69 53.04 1pf9 s MET 86 Cb -0.19 -0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 32.74 1pf9 s MET 86 CO -0.07 -0.12 0.82 -1.54 -2.03 0.00 0.00 175.02 172.08 1pf9 s SER 87 N -3.20 6.01 0.45 -1.18 1.04 -1.26 0.79 113.70 116.33 1pf9 s SER 87 Ca 0.25 0.82 0.20 0.00 0.48 0.00 0.00 55.95 57.70 1pf9 s SER 87 Cb 0.06 -2.02 1.16 0.00 0.10 0.00 0.00 66.02 65.31 1pf9 s SER 87 CO 0.05 -0.76 1.89 -0.08 0.98 0.00 0.00 173.24 175.32 1pf9 h GLU 88 N 0.09 0.31 -1.03 4.02 4.81 -1.80 -0.12 114.58 120.85 1pf9 h GLU 88 Ca -0.46 -0.02 0.30 0.00 -0.13 0.00 0.00 59.36 59.04 1pf9 h GLU 88 Cb 1.22 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1pf9 h GLU 88 CO 0.61 0.20 0.74 0.77 -0.73 0.00 0.00 179.01 180.60 1pf9 h SER 89 N 0.32 0.02 0.83 1.04 0.02 -1.93 0.45 113.55 114.30 1pf9 h SER 89 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1pf9 h SER 89 Cb 1.15 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1pf9 h SER 89 CO -0.12 0.01 -0.83 0.47 -1.14 0.00 0.00 176.83 175.21 1pf9 n ASP 90 N -4.25 0.73 -4.69 3.07 8.00 -0.06 -4.82 116.55 114.54 1pf9 n ASP 90 Ca 0.22 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 1pf9 n ASP 90 Cb 1.08 0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 42.52 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 -3.24 4.83 -0.24 0.53 1.01 0.15 -0.84 121.20 123.40 1pf9 s ILE 91 Ca 0.03 1.90 0.04 0.00 0.00 0.00 0.00 60.65 62.62 1pf9 s ILE 91 Cb 0.12 -4.25 -0.19 0.00 0.01 0.00 0.00 42.46 38.15 1pf9 s ILE 91 CO 0.76 0.04 -0.12 0.18 0.00 0.00 0.00 174.94 175.80 1pf9 n LEU 92 N 4.89 2.40 -3.87 2.97 4.77 -0.52 -4.97 117.00 122.68 1pf9 n LEU 92 Ca 0.07 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1pf9 n LEU 92 Cb 0.49 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1pf9 n LEU 92 CO 0.51 0.85 0.44 0.00 -1.33 0.00 0.00 177.39 177.85 1pf9 s ALA 93 N -2.52 -1.03 -0.07 -1.18 0.00 -1.07 -5.03 121.76 110.86 1pf9 s ALA 93 Ca -0.29 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1pf9 s ALA 93 Cb 0.08 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1pf9 s ALA 93 CO 0.66 -1.01 -0.20 0.42 0.00 0.00 0.00 175.76 175.62 1pf9 s ILE 94 N -3.73 1.73 -0.28 0.00 1.01 -1.26 -2.13 121.20 116.54 1pf9 s ILE 94 Ca 0.13 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 1pf9 s ILE 94 Cb -0.05 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1pf9 s ILE 94 CO 0.08 0.49 0.64 -0.69 0.00 0.00 0.00 174.94 175.45 1pf9 s VAL 95 N 0.25 4.96 0.00 2.92 1.01 -0.40 -4.96 120.40 124.17 1pf9 s VAL 95 Ca -0.12 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1pf9 s VAL 95 Cb -0.15 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1pf9 s VAL 95 CO 0.05 -0.05 0.00 -0.62 0.00 0.00 0.00 175.10 174.49 1pf9 n GLU 96 N 5.80 3.21 -0.29 2.72 1.02 -1.26 -4.51 120.64 127.32 1pf9 n GLU 96 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 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