#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 1.35 -4.46 3.17 6.94 -1.26 -4.71 115.26 116.29 1pf9 n ASN 2 Ca 0.00 -2.02 -0.29 0.00 -0.02 0.00 0.00 54.58 52.24 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 -1.76 2.71 -0.36 1.53 1.09 -1.26 -5.11 121.20 118.03 1pf9 s ILE 3 Ca 0.45 -1.52 0.02 0.00 -1.10 0.00 0.00 60.65 58.50 1pf9 s ILE 3 Cb -0.03 -2.22 0.11 0.00 -1.06 0.00 0.00 42.46 39.26 1pf9 s ILE 3 CO 0.29 0.13 0.11 -0.60 -0.10 0.00 0.00 174.94 174.77 1pf9 s ARG 4 N -2.03 1.25 0.51 2.79 6.06 -1.26 -4.93 118.95 121.34 1pf9 s ARG 4 Ca 0.17 -1.71 -0.22 0.00 -2.50 0.00 0.00 55.73 51.47 1pf9 s ARG 4 Cb -0.10 -2.70 -0.06 0.00 0.06 0.00 0.00 34.95 32.15 1pf9 s ARG 4 CO 0.09 -1.00 1.22 -1.25 -2.50 0.00 0.00 175.30 171.85 1pf9 s PRO 5 N 0.94 3.43 -0.89 5.12 0.04 -1.26 -4.95 135.00 137.43 1pf9 s PRO 5 Ca 0.12 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 1pf9 s PRO 5 Cb -0.20 -2.25 0.18 0.00 0.04 0.00 0.00 34.50 32.28 1pf9 s PRO 5 CO -0.12 -0.86 0.94 -1.17 0.04 0.00 0.00 177.00 175.84 1pf9 s LEU 6 N -3.41 5.98 0.00 -3.56 1.98 -1.26 -4.22 118.68 114.19 1pf9 s LEU 6 Ca 0.69 -2.44 0.00 0.00 -2.89 0.00 0.00 54.13 49.49 1pf9 s LEU 6 Cb -0.31 -2.30 0.00 0.00 0.66 0.00 0.00 46.19 44.24 1pf9 s LEU 6 CO 0.37 -0.78 0.00 0.00 -1.89 0.00 0.00 176.35 174.05 1pf9 n HIS 7 N 5.09 0.00 0.00 5.38 1.44 -1.26 -3.89 115.22 121.98 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 -0.44 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 1.30 0.00 -4.77 4.39 2.03 -1.25 -4.61 116.55 113.63 1pf9 n ASP 8 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 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 -1.25 -2.30 118.95 120.88 1pf9 s ARG 9 Ca 0.00 1.70 0.04 0.00 -1.72 0.00 0.00 55.73 55.75 1pf9 s ARG 9 Cb 0.00 -2.90 0.00 0.00 -0.45 0.00 0.00 34.95 31.60 1pf9 s ARG 9 CO 0.00 0.03 -0.17 0.08 -0.68 0.00 0.00 175.30 174.56 1pf9 s VAL 10 N -1.37 1.50 -0.32 3.52 1.01 0.18 -2.40 120.40 122.53 1pf9 s VAL 10 Ca 0.50 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1pf9 s VAL 10 Cb -0.28 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1pf9 s VAL 10 CO 0.36 0.43 0.22 -0.63 0.00 0.00 0.00 175.10 175.48 1pf9 s ILE 11 N 0.26 5.27 0.27 2.22 1.01 -0.17 -2.25 121.20 127.81 1pf9 s ILE 11 Ca -0.10 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.53 1pf9 s ILE 11 Cb -0.14 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1pf9 s ILE 11 CO 0.04 0.09 -0.04 0.68 0.00 0.00 0.00 174.94 175.70 1pf9 s VAL 12 N 1.73 1.50 -0.02 2.92 -7.23 0.14 0.22 120.40 119.67 1pf9 s VAL 12 Ca 0.06 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1pf9 s VAL 12 Cb -0.17 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1pf9 s VAL 12 CO 0.11 -0.30 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.81 1pf9 s LYS 13 N -3.76 1.66 0.82 4.82 -2.85 0.28 0.55 119.74 121.26 1pf9 s LYS 13 Ca 0.29 -0.68 -0.12 0.00 -1.00 0.00 0.00 55.97 54.46 1pf9 s LYS 13 Cb 0.04 -1.55 0.09 0.00 -2.06 0.00 0.00 37.83 34.34 1pf9 s LYS 13 CO 0.11 0.37 1.10 0.50 0.10 0.00 0.00 175.35 177.54 1pf9 s ARG 14 N -0.33 1.87 0.00 1.78 3.52 -1.26 -0.67 118.95 123.87 1pf9 s ARG 14 Ca 0.04 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.25 1pf9 s ARG 14 Cb -0.09 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1pf9 s ARG 14 CO 0.00 -1.76 0.00 1.63 -0.81 0.00 0.00 175.30 174.36 1pf9 n LYS 15 N -3.52 3.00 -2.24 5.12 5.02 -0.98 -4.79 118.16 119.76 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 -0.17 4.05 -0.61 1.97 0.41 -1.26 -4.76 118.70 118.33 1pf9 s GLU 16 Ca 0.00 1.73 -0.26 0.00 -0.41 0.00 0.00 54.97 56.03 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 -0.97 2.40 0.08 -0.49 0.00 0.00 175.26 176.28 1pf9 s VAL 17 N 4.23 3.02 -0.93 2.63 1.01 -1.26 -3.42 120.40 125.68 1pf9 s VAL 17 Ca 0.64 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 1pf9 s VAL 17 Cb -0.25 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1pf9 s VAL 17 CO 0.23 -0.04 0.75 -0.62 0.00 0.00 0.00 175.10 175.42 1pf9 n GLU 18 N 8.94 -1.47 -1.68 2.72 1.02 -1.26 -4.85 120.64 124.07 1pf9 n GLU 18 Ca 0.40 0.95 -0.48 0.00 -0.02 0.00 0.00 57.16 58.01 1pf9 n GLU 18 Cb 0.50 -4.63 -0.05 0.00 -0.02 0.00 0.00 31.44 27.25 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 0.35 -2.10 2.62 -1.04 -1.22 -4.77 114.28 105.23 1pf9 n THR 19 Ca -0.10 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.56 1pf9 n THR 19 Cb 0.58 -1.69 -0.06 0.00 -1.82 0.00 0.00 70.33 67.35 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 2.86 2.61 0.00 -2.82 3.01 -1.26 -3.81 119.74 120.33 1pf9 s LYS 20 Ca 0.88 -1.05 0.00 0.00 -1.01 0.00 0.00 55.97 54.79 1pf9 s LYS 20 Cb -0.72 -5.23 0.00 0.00 -1.01 0.00 0.00 37.83 30.87 1pf9 s LYS 20 CO 0.48 -3.74 0.00 -1.13 0.51 0.00 0.00 175.35 171.46 1pf9 n SER 21 N 13.88 0.00 -4.52 2.83 3.41 -1.25 -4.63 113.62 123.34 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 -0.58 -0.71 -0.13 7.33 0.00 -1.25 -1.79 120.51 123.38 1pf9 n ALA 22 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pf9 n ALA 22 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 1.61 2.61 0.00 0.00 0.00 -1.26 -4.34 105.19 103.80 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 1.39 0.10 -0.02 0.00 -0.74 -4.65 105.19 99.27 1pf9 n GLY 24 Ca 0.00 -0.88 -0.00 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 0.57 -2.66 -0.61 2.04 -1.84 -3.44 117.51 111.57 1pf9 h ILE 25 Ca 0.00 -2.06 -0.52 0.00 1.00 0.00 0.00 64.86 63.28 1pf9 h ILE 25 Cb 0.00 2.10 0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1pf9 h ILE 25 CO 0.00 0.32 1.02 -0.69 0.00 0.00 0.00 178.15 178.80 1pf9 s VAL 26 N -2.91 2.23 -0.66 1.67 1.01 -1.26 -4.86 120.40 115.61 1pf9 s VAL 26 Ca -0.02 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1pf9 s VAL 26 Cb 0.09 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1pf9 s VAL 26 CO 0.80 0.01 2.93 0.18 0.00 0.00 0.00 175.10 179.02 1pf9 n LEU 27 N 4.36 6.76 -2.69 3.92 4.32 -1.26 -3.79 117.00 128.63 1pf9 n LEU 27 Ca 0.16 -4.05 -0.17 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 1.28 1.07 -1.22 0.00 0.00 177.39 180.99 1pf9 n THR 28 N 1.77 0.00 -1.63 -5.08 5.66 -1.26 -4.83 114.28 108.91 1pf9 n THR 28 Ca 0.54 -0.19 -0.36 0.00 -3.05 0.00 0.00 64.05 60.99 1pf9 n THR 28 Cb 0.54 -0.11 0.08 0.00 -1.55 0.00 0.00 70.33 69.29 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 2.01 2.75 -0.19 1.09 0.00 -1.26 -4.60 107.32 107.12 1pf9 s GLY 29 Ca 0.80 1.16 -0.39 0.00 0.00 0.00 0.00 44.72 46.29 1pf9 s GLY 29 CO 0.32 1.59 1.71 -1.26 0.00 0.00 0.00 173.10 175.47 1pf9 n SER 30 N -2.15 2.48 -1.93 1.64 2.88 -1.26 -4.85 113.62 110.43 1pf9 n SER 30 Ca 0.16 1.06 -0.02 0.00 -1.33 0.00 0.00 58.87 58.74 1pf9 n SER 30 Cb 0.48 -1.19 0.32 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 5.19 4.32 -2.87 -1.46 0.00 -1.26 -4.89 120.51 119.53 1pf9 n ALA 31 Ca 0.25 -2.10 -0.11 0.00 0.00 0.00 0.00 53.44 51.48 1pf9 n ALA 31 Cb 0.17 -1.21 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 0.10 -1.44 -2.38 0.00 0.00 -1.26 -5.08 120.51 110.44 1pf9 n ALA 32 Ca 0.36 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 1pf9 n ALA 32 Cb 1.30 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 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 2.22 0.00 0.00 0.00 -1.26 -5.18 121.76 114.29 1pf9 s ALA 33 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.36 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 0.48 -0.46 0.00 1.17 0.00 0.00 0.00 175.76 176.95 1pf9 n LYS 34 N -0.67 3.44 -4.25 0.00 3.00 -1.26 -4.72 118.16 113.69 1pf9 n LYS 34 Ca -0.00 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 0.62 2.25 0.00 3.14 0.15 -1.26 -4.29 113.70 114.32 1pf9 s SER 35 Ca 0.00 -0.70 0.10 0.00 0.70 0.00 0.00 55.95 56.06 1pf9 s SER 35 Cb 0.00 -0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 64.15 1pf9 s SER 35 CO 0.00 -0.01 0.54 0.35 1.20 0.00 0.00 173.24 175.32 1pf9 n THR 36 N 1.01 0.00 -2.96 6.45 -2.24 -1.26 -4.86 114.28 110.41 1pf9 n THR 36 Ca -0.19 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 1pf9 n THR 36 Cb 0.54 1.06 -0.04 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 -1.67 3.83 -0.02 -0.78 3.00 -1.26 -1.81 118.95 120.25 1pf9 s ARG 37 Ca 0.06 0.50 -0.29 0.00 0.00 0.00 0.00 55.73 56.00 1pf9 s ARG 37 Cb 0.08 -2.42 0.10 0.00 0.00 0.00 0.00 34.95 32.72 1pf9 s ARG 37 CO 0.34 0.03 0.93 0.20 0.00 0.00 0.00 175.30 176.80 1pf9 s GLY 38 N -2.90 -0.43 -0.19 -3.53 0.00 -0.21 -2.33 107.32 97.72 1pf9 s GLY 38 Ca 0.52 1.02 -0.08 0.00 0.00 0.00 0.00 44.72 46.17 1pf9 s GLY 38 CO 0.27 0.33 0.09 1.85 0.00 0.00 0.00 173.10 175.64 1pf9 s GLU 39 N -3.05 4.03 -0.09 2.90 2.12 0.16 -0.35 118.70 124.43 1pf9 s GLU 39 Ca 0.06 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 1pf9 s GLU 39 Cb -0.01 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 1pf9 s GLU 39 CO -0.08 0.25 1.18 0.08 -0.54 0.00 0.00 175.26 176.16 1pf9 s VAL 40 N 0.45 4.34 -0.17 3.70 1.01 0.23 -0.56 120.40 129.39 1pf9 s VAL 40 Ca 0.05 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.68 1pf9 s VAL 40 Cb -0.12 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.09 1pf9 s VAL 40 CO -0.00 -0.03 -0.16 0.18 0.00 0.00 0.00 175.10 175.09 1pf9 n LEU 41 N 5.49 2.89 -3.97 3.92 4.77 0.13 -0.32 117.00 129.91 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 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 1pf9 n LEU 41 CO 0.55 0.77 -0.27 0.00 -1.33 0.00 0.00 177.39 177.11 1pf9 s ALA 42 N -2.34 0.07 0.00 -1.18 0.00 -0.76 -4.72 121.76 112.83 1pf9 s ALA 42 Ca -0.23 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1pf9 s ALA 42 Cb 0.06 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1pf9 s ALA 42 CO 0.39 -0.30 -0.11 0.08 0.00 0.00 0.00 175.76 175.82 1pf9 s VAL 43 N -2.66 0.86 0.37 0.00 1.01 -1.26 -1.00 120.40 117.72 1pf9 s VAL 43 Ca -0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1pf9 s VAL 43 Cb -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1pf9 s VAL 43 CO -0.05 0.16 0.66 -0.83 0.00 0.00 0.00 175.10 175.03 1pf9 s GLY 44 N -0.49 1.68 0.24 4.51 0.00 -1.01 -4.64 107.32 107.62 1pf9 s GLY 44 Ca 0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 44.72 44.07 1pf9 s GLY 44 CO -0.00 -0.41 1.52 0.70 0.00 0.00 0.00 173.10 174.91 1pf9 n ASN 45 N -1.52 -0.55 0.00 1.64 3.02 -1.26 -4.30 115.26 112.29 1pf9 n ASN 45 Ca -0.01 1.70 0.00 0.00 -0.03 0.00 0.00 54.58 56.24 1pf9 n ASN 45 Cb 0.55 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 -1.51 4.21 3.53 7.41 0.00 -1.26 -3.86 105.19 113.71 1pf9 n GLY 46 Ca 0.12 -1.30 -0.53 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.78 0.60 0.00 1.61 0.63 -1.10 -3.95 116.66 112.66 1pf9 n ARG 47 Ca 0.00 0.21 0.10 0.00 -0.92 0.00 0.00 57.85 57.25 1pf9 n ARG 47 Cb 0.00 -1.66 -0.07 0.00 0.45 0.00 0.00 32.46 31.18 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 1.44 0.02 -1.13 5.15 5.41 -1.26 -2.26 119.36 126.72 1pf9 n ILE 48 Ca 0.18 -0.09 -0.36 0.00 1.00 0.00 0.00 62.75 63.48 1pf9 n ILE 48 Cb 0.18 0.71 0.01 0.00 -0.71 0.00 0.00 39.64 39.83 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 -1.65 -3.58 -1.96 1.39 4.77 -1.26 -3.32 117.00 111.40 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 0.37 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1pf9 n LEU 49 CO 0.42 -4.53 -0.13 1.21 -1.33 0.00 0.00 177.39 173.03 1pf9 n GLU 50 N 1.47 -2.06 0.00 3.23 2.13 -1.26 -4.67 120.64 119.48 1pf9 n GLU 50 Ca 0.07 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1pf9 n GLU 50 Cb 0.44 -5.11 0.00 0.00 0.27 0.00 0.00 31.44 27.04 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 -4.23 4.31 5.15 -1.21 -4.78 115.26 113.37 1pf9 n ASN 51 Ca -0.15 0.00 -0.60 0.00 -0.60 0.00 0.00 54.58 53.23 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 -0.10 0.91 8.20 0.00 -1.26 -4.63 105.19 108.31 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 6.90 -1.98 -3.69 1.61 4.71 -1.26 -4.93 120.64 121.99 1pf9 n GLU 53 Ca 0.51 1.49 -0.28 0.00 -0.01 0.00 0.00 57.16 58.86 1pf9 n GLU 53 Cb -0.04 -2.36 -0.16 0.00 -1.01 0.00 0.00 31.44 27.86 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 0.42 0.09 2.62 1.01 -1.26 -4.76 120.40 115.70 1pf9 s VAL 54 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1pf9 s VAL 54 Cb 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1pf9 s VAL 54 CO 0.00 -0.35 1.02 -1.59 0.00 0.00 0.00 175.10 174.18 1pf9 s LYS 55 N 1.89 4.61 1.09 2.72 -2.85 -0.96 -4.90 119.74 121.34 1pf9 s LYS 55 Ca 0.02 1.53 -0.13 0.00 -1.00 0.00 0.00 55.97 56.40 1pf9 s LYS 55 Cb -0.17 -3.38 0.24 0.00 -2.06 0.00 0.00 37.83 32.47 1pf9 s LYS 55 CO -0.14 0.06 1.06 -1.25 0.10 0.00 0.00 175.35 175.18 1pf9 s PRO 56 N 0.32 -0.33 0.12 1.78 0.04 -1.26 -2.70 135.00 132.97 1pf9 s PRO 56 Ca 0.50 0.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1pf9 s PRO 56 Cb -0.25 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1pf9 s PRO 56 CO 0.30 -3.30 0.36 -0.51 0.04 0.00 0.00 177.00 173.90 1pf9 s LEU 57 N -6.89 4.29 0.00 -3.56 1.43 -1.25 -4.77 118.68 107.92 1pf9 s LEU 57 Ca 0.67 0.59 0.25 0.00 -1.03 0.00 0.00 54.13 54.61 1pf9 s LEU 57 Cb -0.22 -3.22 1.13 0.00 0.03 0.00 0.00 46.19 43.91 1pf9 s LEU 57 CO 0.62 0.08 1.77 0.47 0.23 0.00 0.00 176.35 179.52 1pf9 n ASP 58 N 0.25 0.97 -4.51 2.29 9.92 -1.26 -4.75 116.55 119.46 1pf9 n ASP 58 Ca -0.04 -1.45 -0.34 0.00 -0.53 0.00 0.00 54.79 52.43 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 3.99 0.43 2.53 -7.23 -1.26 -5.12 120.40 111.80 1pf9 s VAL 59 Ca 0.36 -0.32 0.01 0.00 -1.81 0.00 0.00 61.98 60.21 1pf9 s VAL 59 Cb 0.18 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 1pf9 s VAL 59 CO 0.30 0.49 0.65 -1.59 -0.31 0.00 0.00 175.10 174.63 1pf9 s LYS 60 N 0.35 3.12 -0.21 4.82 -2.85 -1.26 -4.95 119.74 118.75 1pf9 s LYS 60 Ca -0.03 -0.49 -0.28 0.00 -1.00 0.00 0.00 55.97 54.16 1pf9 s LYS 60 Cb -0.14 -2.58 -0.04 0.00 -2.06 0.00 0.00 37.83 33.00 1pf9 s LYS 60 CO 0.03 -0.20 2.02 0.08 0.10 0.00 0.00 175.35 177.37 1pf9 s VAL 61 N -2.51 3.20 0.00 1.79 1.01 -1.26 -2.67 120.40 119.96 1pf9 s VAL 61 Ca 0.47 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1pf9 s VAL 61 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1pf9 s VAL 61 CO 0.37 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1pf9 n GLY 62 N 5.41 1.17 3.80 4.51 0.00 0.57 -5.00 105.19 115.65 1pf9 n GLY 62 Ca 0.26 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 -1.81 6.07 -0.22 1.61 1.01 -1.09 -4.71 116.67 117.52 1pf9 s ASP 63 Ca 0.00 1.84 -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 -0.97 0.17 -0.63 0.21 0.00 0.00 175.17 173.95 1pf9 s ILE 64 N -2.28 5.36 0.01 0.77 1.01 -1.26 -0.61 121.20 124.22 1pf9 s ILE 64 Ca 0.65 0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.55 1pf9 s ILE 64 Cb -0.16 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1pf9 s ILE 64 CO 0.30 0.37 -0.08 0.68 0.00 0.00 0.00 174.94 176.20 1pf9 s VAL 65 N 0.85 0.63 -0.21 2.92 -7.23 0.53 -1.30 120.40 116.59 1pf9 s VAL 65 Ca 0.09 -0.61 -0.15 0.00 -1.81 0.00 0.00 61.98 59.49 1pf9 s VAL 65 Cb -0.13 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1pf9 s VAL 65 CO 0.03 -0.02 0.35 -0.63 -0.31 0.00 0.00 175.10 174.52 1pf9 s ILE 66 N -0.59 5.23 0.37 -0.62 1.01 -0.85 -1.05 121.20 124.70 1pf9 s ILE 66 Ca -0.01 0.60 0.07 0.00 0.00 0.00 0.00 60.65 61.31 1pf9 s ILE 66 Cb -0.05 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 1pf9 s ILE 66 CO 0.00 0.27 -0.00 0.72 0.00 0.00 0.00 174.94 175.93 1pf9 s PHE 67 N 1.26 2.33 -0.39 3.97 -0.12 -0.75 -1.19 117.98 123.09 1pf9 s PHE 67 Ca 0.17 -0.70 -0.17 0.00 -0.05 0.00 0.00 56.93 56.18 1pf9 s PHE 67 Cb -0.14 -1.55 0.01 0.00 -0.63 0.00 0.00 43.02 40.71 1pf9 s PHE 67 CO 0.07 0.36 0.42 1.21 -0.05 0.00 0.00 175.22 177.24 1pf9 s ASN 68 N -3.62 6.20 -1.00 1.98 3.84 -0.13 -4.84 114.94 117.37 1pf9 s ASN 68 Ca 0.34 -0.46 -0.22 0.00 0.21 0.00 0.00 52.86 52.73 1pf9 s ASN 68 Cb 0.08 -2.22 0.06 0.00 -0.55 0.00 0.00 41.25 38.62 1pf9 s ASN 68 CO 0.17 -0.49 1.40 -0.62 -2.79 0.00 0.00 177.10 174.77 1pf9 s ASP 69 N 1.78 6.51 0.00 -4.21 -1.08 -1.26 -4.88 116.67 113.53 1pf9 s ASP 69 Ca 0.13 -1.52 0.00 0.00 -0.52 0.00 0.00 52.55 50.64 1pf9 s ASP 69 Cb -0.17 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1pf9 s ASP 69 CO 0.13 -1.45 0.00 0.61 0.52 0.00 0.00 175.17 174.98 1pf9 n GLY 70 N 6.68 5.39 0.21 2.66 0.00 -1.26 -5.05 105.19 113.82 1pf9 n GLY 70 Ca 0.31 -1.78 -0.10 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 0.71 -1.27 1.61 3.20 -2.04 -3.22 116.97 115.97 1pf9 h TYR 71 Ca 0.00 -0.10 0.37 0.00 3.14 0.00 0.00 58.73 62.13 1pf9 h TYR 71 Cb 0.00 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 1pf9 h TYR 71 CO 0.00 0.70 0.90 0.78 -1.64 0.00 0.00 178.16 178.91 1pf9 h GLY 72 N 0.51 0.13 -3.82 1.82 0.00 -1.95 -3.41 103.07 96.34 1pf9 h GLY 72 Ca 0.12 -0.02 -0.51 0.00 0.00 0.00 0.00 47.33 46.92 1pf9 h GLY 72 CO 0.01 -0.02 0.26 0.14 0.00 0.00 0.00 176.54 176.92 1pf9 s VAL 73 N -4.99 4.26 0.13 4.60 1.01 -1.22 -4.59 120.40 119.59 1pf9 s VAL 73 Ca -0.05 1.82 0.07 0.00 0.00 0.00 0.00 61.98 63.82 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 0.00 175.10 175.65 1pf9 s LYS 74 N -1.34 1.11 -0.18 2.72 -0.14 -0.15 -4.93 119.74 116.84 1pf9 s LYS 74 Ca 0.40 -1.24 -0.06 0.00 -1.36 0.00 0.00 55.97 53.70 1pf9 s LYS 74 Cb -0.23 -1.18 -0.04 0.00 -1.68 0.00 0.00 37.83 34.71 1pf9 s LYS 74 CO 0.28 0.25 0.03 0.45 -0.76 0.00 0.00 175.35 175.59 1pf9 s SER 75 N -2.29 5.31 0.18 2.83 0.15 -1.26 -0.67 113.70 117.94 1pf9 s SER 75 Ca 0.09 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1pf9 s SER 75 Cb -0.07 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1pf9 s SER 75 CO 0.04 0.16 0.05 -1.61 1.20 0.00 0.00 173.24 173.08 1pf9 s GLU 76 N 0.43 1.13 -0.24 5.44 0.41 -0.81 -5.02 118.70 120.04 1pf9 s GLU 76 Ca 0.01 -1.57 0.01 0.00 -0.41 0.00 0.00 54.97 53.01 1pf9 s GLU 76 Cb -0.13 -0.08 0.06 0.00 -1.78 0.00 0.00 34.13 32.19 1pf9 s GLU 76 CO 0.01 -0.22 -0.07 0.21 -0.49 0.00 0.00 175.26 174.70 1pf9 s LYS 77 N -4.00 1.77 -0.23 1.61 2.47 -1.26 -2.47 119.74 117.63 1pf9 s LYS 77 Ca 0.28 -1.06 -0.01 0.00 -1.56 0.00 0.00 55.97 53.62 1pf9 s LYS 77 Cb 0.07 -2.65 0.02 0.00 -1.46 0.00 0.00 37.83 33.82 1pf9 s LYS 77 CO 0.06 -0.58 -0.09 0.42 0.16 0.00 0.00 175.35 175.31 1pf9 s ILE 78 N 1.33 2.69 -1.60 5.43 1.09 -1.08 -4.56 121.20 124.50 1pf9 s ILE 78 Ca -0.06 -1.01 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 1pf9 s ILE 78 Cb -0.19 -2.32 0.00 0.00 -1.06 0.00 0.00 42.46 38.89 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 4.65 -5.45 -1.76 3.58 8.00 -1.26 -2.08 116.55 122.22 1pf9 n ASP 79 Ca -0.17 0.37 -0.06 0.00 0.71 0.00 0.00 54.79 55.64 1pf9 n ASP 79 Cb 0.48 -4.27 0.03 0.00 -0.02 0.00 0.00 41.12 37.33 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 -1.10 -2.13 -3.95 -2.24 2.85 -1.26 -5.10 115.26 102.33 1pf9 n ASN 80 Ca -0.15 -0.20 -0.15 0.00 -0.11 0.00 0.00 54.58 53.98 1pf9 n ASN 80 Cb 0.60 -1.99 -0.14 0.00 1.24 0.00 0.00 39.78 39.49 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 -4.52 0.36 -0.26 1.20 8.01 -0.88 -5.13 118.70 117.48 1pf9 s GLU 81 Ca 0.02 -0.23 -0.29 0.00 0.01 0.00 0.00 54.97 54.48 1pf9 s GLU 81 Cb -0.01 -0.31 -0.01 0.00 -4.31 0.00 0.00 34.13 29.49 1pf9 s GLU 81 CO 0.24 0.08 1.40 -1.21 0.01 0.00 0.00 175.26 175.78 1pf9 s GLU 82 N -0.29 3.91 0.12 1.61 0.41 -1.26 -2.64 118.70 120.56 1pf9 s GLU 82 Ca -0.00 1.43 0.06 0.00 -0.41 0.00 0.00 54.97 56.05 1pf9 s GLU 82 Cb -0.03 -3.92 -0.04 0.00 -1.78 0.00 0.00 34.13 28.37 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 4.53 1.34 -0.00 2.63 -7.23 -1.03 -4.44 120.40 116.20 1pf9 s VAL 83 Ca 0.61 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 1pf9 s VAL 83 Cb -0.20 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1pf9 s VAL 83 CO 0.24 -0.41 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.63 1pf9 s LEU 84 N -2.44 2.07 -0.29 1.32 1.02 0.19 -1.93 118.68 118.63 1pf9 s LEU 84 Ca 0.09 -0.46 0.03 0.00 0.02 0.00 0.00 54.13 53.81 1pf9 s LEU 84 Cb -0.05 -1.21 0.08 0.00 0.02 0.00 0.00 46.19 45.02 1pf9 s LEU 84 CO 0.03 0.28 -0.04 -0.63 0.02 0.00 0.00 176.35 176.01 1pf9 s ILE 85 N -0.61 2.06 0.20 -0.59 1.01 0.15 -0.68 121.20 122.74 1pf9 s ILE 85 Ca 0.09 -1.81 0.02 0.00 0.00 0.00 0.00 60.65 58.95 1pf9 s ILE 85 Cb -0.09 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1pf9 s ILE 85 CO -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 174.94 174.71 1pf9 s MET 86 N 1.10 1.20 0.49 2.79 0.23 -0.95 -0.97 119.30 123.17 1pf9 s MET 86 Ca -0.01 -1.60 -0.06 0.00 -1.03 0.00 0.00 55.69 52.99 1pf9 s MET 86 Cb -0.19 -0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 32.80 1pf9 s MET 86 CO -0.07 -0.18 0.80 -1.54 -2.03 0.00 0.00 175.02 172.01 1pf9 s SER 87 N -3.21 6.28 0.50 -1.18 1.04 -1.26 0.50 113.70 116.36 1pf9 s SER 87 Ca 0.28 0.98 0.27 0.00 0.48 0.00 0.00 55.95 57.96 1pf9 s SER 87 Cb 0.06 -2.27 1.35 0.00 0.10 0.00 0.00 66.02 65.26 1pf9 s SER 87 CO 0.07 -0.59 1.88 -0.08 0.98 0.00 0.00 173.24 175.50 1pf9 h GLU 88 N 0.25 0.13 -0.53 4.02 4.81 -1.81 0.10 114.58 121.55 1pf9 h GLU 88 Ca -0.47 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 58.91 1pf9 h GLU 88 Cb 1.20 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1pf9 h GLU 88 CO 0.62 0.09 0.46 0.77 -0.73 0.00 0.00 179.01 180.21 1pf9 h SER 89 N 0.14 0.00 0.74 1.04 0.02 -1.93 0.04 113.55 113.59 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 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1pf9 h SER 89 CO -0.07 0.00 -0.99 0.47 -1.14 0.00 0.00 176.83 175.09 1pf9 n ASP 90 N -4.03 0.69 -4.69 3.07 8.00 0.35 -4.83 116.55 115.10 1pf9 n ASP 90 Ca 0.10 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 1pf9 n ASP 90 Cb 0.67 0.59 -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 -3.28 4.81 -0.23 0.53 1.01 -0.00 -0.96 121.20 123.07 1pf9 s ILE 91 Ca 0.02 1.97 0.06 0.00 0.00 0.00 0.00 60.65 62.71 1pf9 s ILE 91 Cb 0.12 -4.28 -0.20 0.00 0.01 0.00 0.00 42.46 38.11 1pf9 s ILE 91 CO 0.79 0.02 -0.11 0.18 0.00 0.00 0.00 174.94 175.82 1pf9 n LEU 92 N 4.94 2.08 -3.87 2.97 4.77 -0.34 -4.97 117.00 122.60 1pf9 n LEU 92 Ca 0.08 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1pf9 n LEU 92 Cb 0.49 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1pf9 n LEU 92 CO 0.51 0.80 0.45 0.00 -1.33 0.00 0.00 177.39 177.83 1pf9 s ALA 93 N -2.51 -1.01 -0.07 -1.18 0.00 -1.03 -5.02 121.76 110.94 1pf9 s ALA 93 Ca -0.27 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1pf9 s ALA 93 Cb 0.08 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 1pf9 s ALA 93 CO 0.67 -1.01 -0.20 0.42 0.00 0.00 0.00 175.76 175.64 1pf9 s ILE 94 N -3.59 1.71 -0.27 0.00 1.01 -1.26 -2.01 121.20 116.79 1pf9 s ILE 94 Ca 0.13 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 1pf9 s ILE 94 Cb -0.05 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1pf9 s ILE 94 CO 0.08 0.48 0.66 -0.69 0.00 0.00 0.00 174.94 175.47 1pf9 s VAL 95 N 0.21 4.94 0.00 2.92 1.01 -0.42 -4.95 120.40 124.11 1pf9 s VAL 95 Ca -0.11 1.10 0.00 0.00 0.00 0.00 0.00 61.98 62.97 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 -0.05 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 1pf9 n GLU 96 N 5.82 3.18 -0.28 2.72 1.02 -1.26 -4.51 120.64 127.33 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