#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu9 s ASN 2 N 0.00 1.87 0.23 7.83 2.47 -1.26 -5.01 114.94 121.06 2pu9 s ASN 2 Ca 0.00 -0.56 -0.32 0.00 0.42 0.00 0.00 52.86 52.40 2pu9 s ASN 2 Cb 0.00 -0.10 -0.12 0.00 -1.45 0.00 0.00 41.25 39.59 2pu9 s ASN 2 CO 0.00 0.00 1.69 -0.69 -3.72 0.00 0.00 177.10 174.39 2pu9 s VAL 3 N -1.06 2.05 0.00 -5.21 1.01 -1.26 -1.69 120.40 114.24 2pu9 s VAL 3 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2pu9 s VAL 3 Cb -0.09 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2pu9 s VAL 3 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2pu9 n GLY 4 N 3.58 2.39 3.77 4.51 0.00 0.13 -4.98 105.19 114.59 2pu9 n GLY 4 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2pu9 n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pu9 s ASP 5 N -1.48 6.05 -0.11 1.61 1.01 -0.68 -4.65 116.67 118.42 2pu9 s ASP 5 Ca 0.00 2.82 -0.17 0.00 0.71 0.00 0.00 52.55 55.91 2pu9 s ASP 5 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2pu9 s ASP 5 CO 0.00 -1.05 0.44 -0.60 0.21 0.00 0.00 175.17 174.18 2pu9 s ARG 6 N -2.37 4.28 0.08 8.23 6.06 -1.26 -0.67 118.95 133.30 2pu9 s ARG 6 Ca 0.59 0.40 0.01 0.00 -2.50 0.00 0.00 55.73 54.23 2pu9 s ARG 6 Cb -0.42 -3.41 -0.04 0.00 0.06 0.00 0.00 34.95 31.15 2pu9 s ARG 6 CO 0.53 0.24 -0.06 0.14 -2.50 0.00 0.00 175.30 173.66 2pu9 s VAL 7 N 0.37 0.58 -0.03 7.11 -7.23 -0.16 -0.71 120.40 120.33 2pu9 s VAL 7 Ca 0.24 -1.86 0.07 0.00 -1.81 0.00 0.00 61.98 58.62 2pu9 s VAL 7 Cb -0.15 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 2pu9 s VAL 7 CO 0.10 -0.88 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.18 2pu9 s ARG 8 N -3.74 2.06 -0.37 4.82 3.52 -0.48 -0.73 118.95 124.02 2pu9 s ARG 8 Ca 0.10 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 2pu9 s ARG 8 Cb 0.05 -1.90 0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2pu9 s ARG 8 CO -0.06 0.45 1.34 0.08 -0.81 0.00 0.00 175.30 176.30 2pu9 s VAL 9 N -0.39 4.03 -1.36 7.11 1.01 -0.14 -1.27 120.40 129.39 2pu9 s VAL 9 Ca 0.04 1.10 0.15 0.00 0.00 0.00 0.00 61.98 63.28 2pu9 s VAL 9 Cb -0.11 -4.22 0.40 0.00 0.00 0.00 0.00 36.38 32.46 2pu9 s VAL 9 CO 0.01 -0.66 1.33 0.35 0.00 0.00 0.00 175.10 176.12 2pu9 n THR 10 N 6.69 0.92 -4.28 3.92 -2.24 -0.16 -0.58 114.28 118.56 2pu9 n THR 10 Ca 0.15 -0.96 -0.17 0.00 -2.27 0.00 0.00 64.05 60.80 2pu9 n THR 10 Cb 0.47 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 2pu9 n THR 10 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pu9 s SER 11 N -1.03 2.12 -0.09 3.42 0.01 -1.10 -4.97 113.70 112.06 2pu9 s SER 11 Ca 0.31 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 2pu9 s SER 11 Cb 0.17 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 2pu9 s SER 11 CO 0.22 -0.21 1.48 -0.55 0.41 0.00 0.00 173.24 174.59 2pu9 s SER 12 N -2.93 6.79 -0.29 2.44 0.15 -1.26 -4.24 113.70 114.35 2pu9 s SER 12 Ca 0.15 2.02 -0.02 0.00 0.70 0.00 0.00 55.95 58.80 2pu9 s SER 12 Cb -0.01 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.85 2pu9 s SER 12 CO 0.03 -0.84 0.11 -0.69 1.20 0.00 0.00 173.24 173.05 2pu9 s VAL 13 N 3.65 0.45 -0.26 4.45 1.01 -1.26 -5.00 120.40 123.45 2pu9 s VAL 13 Ca 0.65 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 2pu9 s VAL 13 Cb -0.29 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2pu9 s VAL 13 CO 0.24 -0.65 0.53 -0.69 0.00 0.00 0.00 175.10 174.53 2pu9 s VAL 14 N 1.84 5.06 0.31 2.92 1.01 -1.26 -0.93 120.40 129.34 2pu9 s VAL 14 Ca 0.08 0.92 0.10 0.00 0.00 0.00 0.00 61.98 63.09 2pu9 s VAL 14 Cb -0.17 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 2pu9 s VAL 14 CO -0.28 0.08 -0.14 0.68 0.00 0.00 0.00 175.10 175.43 2pu9 s VAL 15 N 2.32 2.31 0.00 2.92 -7.23 -0.04 -4.86 120.40 115.82 2pu9 s VAL 15 Ca 0.22 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2pu9 s VAL 15 Cb -0.16 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2pu9 s VAL 15 CO 0.09 -0.31 0.75 -1.22 -0.31 0.00 0.00 175.10 174.10 2pu9 n TYR 16 N -0.69 0.00 -0.23 2.82 4.02 -1.26 -1.47 117.16 120.35 2pu9 n TYR 16 Ca -0.05 -0.27 0.07 0.00 -0.01 0.00 0.00 57.90 57.64 2pu9 n TYR 16 Cb 0.62 -0.03 0.20 0.00 -0.02 0.00 0.00 39.34 40.11 2pu9 n TYR 16 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2pu9 n HIS 17 N -0.27 0.60 -2.28 -0.72 1.44 -1.26 -1.73 115.22 110.99 2pu9 n HIS 17 Ca 0.00 -0.50 -0.42 0.00 -2.01 0.00 0.00 57.72 54.79 2pu9 n HIS 17 Cb 0.18 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.23 2pu9 n HIS 17 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2pu9 s HIS 18 N -1.02 3.33 0.57 -1.40 5.04 -1.26 -4.91 115.29 115.63 2pu9 s HIS 18 Ca 0.30 1.21 0.27 0.00 -1.54 0.00 0.00 55.06 55.29 2pu9 s HIS 18 Cb 0.16 -3.55 1.56 0.00 0.04 0.00 0.00 32.58 30.79 2pu9 s HIS 18 CO 0.20 -1.75 2.09 -1.00 -2.34 0.00 0.00 174.74 171.93 2pu9 h PRO 19 N 6.00 0.00 -0.48 2.88 0.13 -1.99 -0.71 132.00 137.84 2pu9 h PRO 19 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2pu9 h PRO 19 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2pu9 h PRO 19 CO 0.80 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 2pu9 n GLU 20 N -3.99 2.55 -2.78 0.86 -0.58 -1.26 -4.20 120.64 111.23 2pu9 n GLU 20 Ca 0.03 -2.37 -0.02 0.00 -0.42 0.00 0.00 57.16 54.37 2pu9 n GLU 20 Cb 0.35 -1.52 0.06 0.00 -0.57 0.00 0.00 31.44 29.77 2pu9 n GLU 20 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2pu9 n HIS 21 N 1.49 0.60 -1.66 -0.32 8.25 -0.39 -5.11 115.22 118.08 2pu9 n HIS 21 Ca 0.20 -2.15 -0.52 0.00 -0.26 0.00 0.00 57.72 54.99 2pu9 n HIS 21 Cb 0.60 0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.75 2pu9 n HIS 21 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pu9 n LYS 22 N -0.68 1.55 -1.41 -0.41 5.02 -0.51 -1.40 118.16 120.32 2pu9 n LYS 22 Ca 0.03 0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 56.74 2pu9 n LYS 22 Cb 0.82 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 2pu9 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pu9 n LYS 23 N 4.35 -1.56 -5.10 1.97 5.02 -0.71 -4.96 118.16 117.18 2pu9 n LYS 23 Ca 0.21 0.98 -0.29 0.00 -2.02 0.00 0.00 58.31 57.19 2pu9 n LYS 23 Cb 0.21 -5.33 -0.16 0.00 -0.02 0.00 0.00 35.03 29.73 2pu9 n LYS 23 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pu9 s THR 24 N -2.23 1.86 0.14 -0.18 2.01 -0.49 -5.03 115.64 111.72 2pu9 s THR 24 Ca 0.00 -1.05 -0.32 0.00 0.31 0.00 0.00 61.69 60.64 2pu9 s THR 24 Cb 0.00 -1.55 -0.11 0.00 0.01 0.00 0.00 72.50 70.85 2pu9 s THR 24 CO 0.00 0.48 1.80 0.00 -0.69 0.00 0.00 174.62 176.21 2pu9 n ALA 25 N 2.39 2.31 -3.65 7.40 0.00 -1.26 -4.39 120.51 123.31 2pu9 n ALA 25 Ca -0.16 0.34 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 2pu9 n ALA 25 Cb 0.52 -2.56 -0.17 0.00 0.00 0.00 0.00 19.45 17.24 2pu9 n ALA 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pu9 s PHE 26 N 2.25 -0.03 -0.21 0.00 5.36 -0.54 -4.95 117.98 119.86 2pu9 s PHE 26 Ca 0.80 0.30 -0.25 0.00 -0.96 0.00 0.00 56.93 56.81 2pu9 s PHE 26 Cb -0.50 -0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 41.75 2pu9 s PHE 26 CO 0.36 -0.30 0.86 0.34 -1.46 0.00 0.00 175.22 175.02 2pu9 s ASP 27 N 2.22 6.92 0.00 6.13 -1.08 -1.26 -0.86 116.67 128.74 2pu9 s ASP 27 Ca 0.04 1.14 0.29 0.00 -0.52 0.00 0.00 52.55 53.50 2pu9 s ASP 27 Cb -0.13 -2.46 1.28 0.00 -1.46 0.00 0.00 42.92 40.16 2pu9 s ASP 27 CO -0.06 -0.48 1.95 0.18 0.52 0.00 0.00 175.17 177.28 2pu9 n LEU 28 N 5.69 0.00 -4.61 -1.34 4.77 -0.11 -4.89 117.00 116.52 2pu9 n LEU 28 Ca 0.06 0.46 -0.49 0.00 -0.03 0.00 0.00 56.01 56.01 2pu9 n LEU 28 Cb 0.48 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2pu9 n LEU 28 CO 0.48 -0.00 0.94 1.67 -1.33 0.00 0.00 177.39 179.15 2pu9 n GLN 29 N -1.46 1.47 0.00 3.23 7.27 -1.26 -1.14 117.38 125.49 2pu9 n GLN 29 Ca 0.08 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.68 2pu9 n GLN 29 Cb 0.32 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.80 2pu9 n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pu9 n GLY 30 N 2.56 3.18 3.82 1.69 0.00 0.25 -4.99 105.19 111.70 2pu9 n GLY 30 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2pu9 n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pu9 s MET 31 N -0.94 3.90 -0.07 1.61 -1.94 -0.29 -4.74 119.30 116.82 2pu9 s MET 31 Ca 0.00 1.16 0.03 0.00 -1.71 0.00 0.00 55.69 55.17 2pu9 s MET 31 Cb 0.00 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 2pu9 s MET 31 CO 0.00 -0.32 -0.16 -1.21 -0.01 0.00 0.00 175.02 173.31 2pu9 s GLU 32 N -3.55 2.74 0.00 2.03 2.02 -1.26 -0.97 118.70 119.71 2pu9 s GLU 32 Ca 0.63 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.88 2pu9 s GLU 32 Cb -0.12 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.71 2pu9 s GLU 32 CO 0.23 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.39 2pu9 n GLY 33 N 2.75 3.49 3.16 -1.39 0.00 0.09 -4.83 105.19 108.47 2pu9 n GLY 33 Ca -0.17 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 2pu9 n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pu9 s GLU 34 N -1.65 1.92 0.06 1.61 2.12 -0.17 -0.99 118.70 121.59 2pu9 s GLU 34 Ca 0.00 -0.67 -0.31 0.00 0.36 0.00 0.00 54.97 54.35 2pu9 s GLU 34 Cb 0.00 -1.67 -0.08 0.00 0.26 0.00 0.00 34.13 32.64 2pu9 s GLU 34 CO 0.00 0.28 1.63 0.08 -0.54 0.00 0.00 175.26 176.71 2pu9 s VAL 35 N -0.03 3.12 -0.15 3.70 1.01 0.15 -0.33 120.40 127.88 2pu9 s VAL 35 Ca -0.03 0.55 0.17 0.00 0.00 0.00 0.00 61.98 62.67 2pu9 s VAL 35 Cb -0.12 -3.35 -0.24 0.00 0.00 0.00 0.00 36.38 32.67 2pu9 s VAL 35 CO 0.02 -0.00 0.29 0.00 0.00 0.00 0.00 175.10 175.41 2pu9 n ALA 36 N 5.65 1.64 -3.58 5.51 0.00 0.17 -0.69 120.51 129.22 2pu9 n ALA 36 Ca 0.16 -1.08 -0.06 0.00 0.00 0.00 0.00 53.44 52.45 2pu9 n ALA 36 Cb 0.41 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 2pu9 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pu9 s ALA 37 N -2.64 -1.99 -0.24 0.00 0.00 -1.12 -4.89 121.76 110.88 2pu9 s ALA 37 Ca -0.08 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.40 2pu9 s ALA 37 Cb 0.07 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.93 2pu9 s ALA 37 CO 0.83 -0.50 -0.07 0.08 0.00 0.00 0.00 175.76 176.10 2pu9 s VAL 38 N -2.09 1.75 -0.42 0.00 1.01 -1.26 -0.77 120.40 118.62 2pu9 s VAL 38 Ca 0.06 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.39 2pu9 s VAL 38 Cb -0.01 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2pu9 s VAL 38 CO -0.05 -0.08 1.63 -0.76 0.00 0.00 0.00 175.10 175.84 2pu9 s LEU 39 N 1.29 3.50 0.00 3.92 1.43 0.88 -4.69 118.68 125.01 2pu9 s LEU 39 Ca -0.07 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2pu9 s LEU 39 Cb -0.19 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2pu9 s LEU 39 CO -0.06 -1.69 0.00 0.35 0.23 0.00 0.00 176.35 175.18 2pu9 n THR 40 N 7.22 0.00 -3.99 5.49 -2.24 -1.26 -4.75 114.28 114.74 2pu9 n THR 40 Ca 0.19 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2pu9 n THR 40 Cb 0.48 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.18 2pu9 n THR 40 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pu9 s GLU 41 N -1.66 1.24 -0.28 -0.78 2.02 -1.26 -1.54 118.70 116.44 2pu9 s GLU 41 Ca 0.00 -1.23 0.02 0.00 0.02 0.00 0.00 54.97 53.78 2pu9 s GLU 41 Cb 0.00 0.39 0.07 0.00 0.10 0.00 0.00 34.13 34.69 2pu9 s GLU 41 CO 0.00 -0.46 -0.04 -0.46 0.02 0.00 0.00 175.26 174.32 2pu9 s TRP 42 N -4.00 3.06 -1.33 1.61 -0.11 0.11 -4.78 118.94 113.50 2pu9 s TRP 42 Ca 0.20 -2.30 -0.11 0.00 1.22 0.00 0.00 56.10 55.11 2pu9 s TRP 42 Cb 0.03 -2.07 0.01 0.00 -1.50 0.00 0.00 33.47 29.93 2pu9 s TRP 42 CO 0.03 -0.87 0.49 1.04 -4.62 0.00 0.00 176.95 173.02 2pu9 n GLN 43 N 4.48 -1.96 -0.23 5.86 6.02 -1.26 -1.09 117.38 129.20 2pu9 n GLN 43 Ca -0.08 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2pu9 n GLN 43 Cb 0.43 -3.97 0.00 0.00 1.02 0.00 0.00 30.24 27.71 2pu9 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pu9 n GLY 44 N -2.02 1.99 3.51 1.08 0.00 -1.26 -5.02 105.19 103.46 2pu9 n GLY 44 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2pu9 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pu9 s ARG 45 N -0.19 3.59 0.29 1.61 0.52 -0.25 -5.03 118.95 119.49 2pu9 s ARG 45 Ca 0.00 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 2pu9 s ARG 45 Cb 0.00 -3.63 -0.12 0.00 0.52 0.00 0.00 34.95 31.72 2pu9 s ARG 45 CO 0.00 -0.33 1.44 -2.30 0.02 0.00 0.00 175.30 174.13 2pu9 n PRO 46 N 5.03 2.31 -4.57 3.54 -0.02 -1.26 0.06 135.00 140.09 2pu9 n PRO 46 Ca -0.14 0.82 -0.26 0.00 -2.02 0.00 0.00 63.50 61.90 2pu9 n PRO 46 Cb 0.50 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 2pu9 n PRO 46 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2pu9 s ILE 47 N -0.38 1.80 -0.19 4.25 -5.25 -0.59 -4.83 121.20 116.01 2pu9 s ILE 47 Ca 0.63 -2.01 0.15 0.00 -0.99 0.00 0.00 60.65 58.42 2pu9 s ILE 47 Cb -0.57 -2.92 0.41 0.00 2.95 0.00 0.00 42.46 42.34 2pu9 s ILE 47 CO 0.54 -0.02 1.29 -1.54 -1.79 0.00 0.00 174.94 173.41 2pu9 n SER 48 N -0.88 2.62 -4.60 4.36 3.41 -1.26 -4.77 113.62 112.49 2pu9 n SER 48 Ca -0.04 -3.36 -0.50 0.00 -0.26 0.00 0.00 58.87 54.71 2pu9 n SER 48 Cb 0.67 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 2pu9 n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pu9 n ALA 49 N -1.10 -0.51 1.30 7.33 0.00 -1.26 -4.87 120.51 121.40 2pu9 n ALA 49 Ca 0.21 0.49 0.13 0.00 0.00 0.00 0.00 53.44 54.27 2pu9 n ALA 49 Cb 0.78 -2.11 0.36 0.00 0.00 0.00 0.00 19.45 18.48 2pu9 n ALA 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2pu9 n ASN 50 N 2.49 1.83 -3.27 0.00 6.94 -1.26 -4.05 115.26 117.93 2pu9 n ASN 50 Ca 0.17 -1.52 -0.25 0.00 -0.02 0.00 0.00 54.58 52.96 2pu9 n ASN 50 Cb 0.22 0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.63 2pu9 n ASN 50 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2pu9 n LEU 51 N 0.31 1.85 0.27 -4.53 4.77 -1.26 -4.68 117.00 113.73 2pu9 n LEU 51 Ca 0.16 -5.06 0.15 0.00 -0.03 0.00 0.00 56.01 51.23 2pu9 n LEU 51 Cb 0.42 0.06 0.75 0.00 -2.33 0.00 0.00 43.42 42.32 2pu9 n LEU 51 CO 0.19 2.09 0.98 1.55 -1.33 0.00 0.00 177.39 180.87 2pu9 h PRO 52 N 3.98 0.00 -5.62 3.23 0.13 -1.67 -3.33 132.00 128.72 2pu9 h PRO 52 Ca 0.13 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.62 2pu9 h PRO 52 Cb 0.78 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.77 2pu9 h PRO 52 CO 0.63 0.09 0.31 0.08 -0.23 0.00 0.00 178.00 178.88 2pu9 s VAL 53 N -3.96 4.66 -0.25 1.56 1.01 -0.25 -0.09 120.40 123.08 2pu9 s VAL 53 Ca -0.02 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 2pu9 s VAL 53 Cb 0.12 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2pu9 s VAL 53 CO 0.56 -0.78 0.50 -0.22 0.00 0.00 0.00 175.10 175.16 2pu9 s LEU 54 N 3.23 4.06 -0.08 3.92 2.96 0.05 -0.41 118.68 132.41 2pu9 s LEU 54 Ca 0.27 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 2pu9 s LEU 54 Cb -0.13 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 2pu9 s LEU 54 CO 0.20 -0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.12 2pu9 s VAL 55 N 2.19 2.90 -0.13 1.68 1.01 -0.49 0.44 120.40 128.00 2pu9 s VAL 55 Ca 0.21 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 2pu9 s VAL 55 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2pu9 s VAL 55 CO 0.09 0.56 0.06 -0.75 0.00 0.00 0.00 175.10 175.06 2pu9 s LYS 56 N -0.18 3.50 0.00 2.72 2.20 0.55 -1.95 119.74 126.58 2pu9 s LYS 56 Ca -0.01 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2pu9 s LYS 56 Cb -0.13 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2pu9 s LYS 56 CO 0.03 0.55 0.00 1.19 -0.36 0.00 0.00 175.35 176.76 2pu9 n PHE 57 N 2.67 0.00 -1.19 4.03 3.01 0.12 -1.00 117.46 125.10 2pu9 n PHE 57 Ca -0.18 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.97 2pu9 n PHE 57 Cb 0.53 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.11 2pu9 n PHE 57 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2pu9 s GLU 58 N 1.01 2.08 -2.08 -1.08 0.41 -1.26 -3.27 118.70 114.52 2pu9 s GLU 58 Ca 0.00 1.20 0.00 0.00 -0.41 0.00 0.00 54.97 55.76 2pu9 s GLU 58 Cb 0.00 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 2pu9 s GLU 58 CO 0.00 -1.78 0.00 1.04 -0.49 0.00 0.00 175.26 174.03 2pu9 n GLN 59 N -3.62 -1.49 -1.08 1.61 6.02 -1.26 -1.57 117.38 116.00 2pu9 n GLN 59 Ca 0.09 1.17 -0.03 0.00 -0.01 0.00 0.00 57.00 58.22 2pu9 n GLN 59 Cb 0.53 -5.61 -0.01 0.00 1.02 0.00 0.00 30.24 26.17 2pu9 n GLN 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pu9 n ARG 60 N -2.55 -1.43 -1.96 -1.09 1.74 -1.20 -4.94 116.66 105.22 2pu9 n ARG 60 Ca -0.22 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 56.95 2pu9 n ARG 60 Cb 0.68 -4.63 -0.02 0.00 -1.02 0.00 0.00 32.46 27.46 2pu9 n ARG 60 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2pu9 s PHE 61 N -1.49 2.94 0.03 -1.55 5.36 -0.61 -4.78 117.98 117.88 2pu9 s PHE 61 Ca 0.00 1.04 0.03 0.00 -0.96 0.00 0.00 56.93 57.03 2pu9 s PHE 61 Cb 0.00 -3.87 -0.02 0.00 -0.34 0.00 0.00 43.02 38.80 2pu9 s PHE 61 CO 0.00 -2.77 -0.09 0.15 -1.46 0.00 0.00 175.22 171.05 2pu9 s LYS 62 N -0.70 0.59 0.04 10.12 1.02 -1.26 0.14 119.74 129.69 2pu9 s LYS 62 Ca 0.58 -0.62 -0.06 0.00 0.02 0.00 0.00 55.97 55.90 2pu9 s LYS 62 Cb -0.43 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.40 2pu9 s LYS 62 CO 0.47 0.11 0.11 0.00 -0.92 0.00 0.00 175.35 175.11 2pu9 s ALA 63 N -0.94 -0.09 -0.04 5.17 0.00 -0.82 -4.99 121.76 120.04 2pu9 s ALA 63 Ca -0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2pu9 s ALA 63 Cb -0.07 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2pu9 s ALA 63 CO 0.00 -0.33 0.18 -1.01 0.00 0.00 0.00 175.76 174.60 2pu9 s HIS 64 N -2.64 3.57 0.07 0.00 3.76 -1.26 -1.40 115.29 117.39 2pu9 s HIS 64 Ca -0.05 0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.27 2pu9 s HIS 64 Cb -0.01 -1.88 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 2pu9 s HIS 64 CO -0.05 0.68 0.03 -0.06 -0.85 0.00 0.00 174.74 174.48 2pu9 s PHE 65 N -1.22 0.48 0.36 1.40 0.40 0.45 -4.96 117.98 114.89 2pu9 s PHE 65 Ca 0.23 -0.99 -0.13 0.00 -0.60 0.00 0.00 56.93 55.44 2pu9 s PHE 65 Cb -0.12 -0.33 -0.08 0.00 0.51 0.00 0.00 43.02 43.00 2pu9 s PHE 65 CO 0.14 -0.43 0.77 1.03 0.70 0.00 0.00 175.22 177.42 2pu9 s ARG 66 N -3.92 3.92 0.42 0.44 0.52 -1.26 -1.09 118.95 117.98 2pu9 s ARG 66 Ca 0.08 0.62 0.15 0.00 -0.52 0.00 0.00 55.73 56.06 2pu9 s ARG 66 Cb 0.07 -2.40 1.03 0.00 0.52 0.00 0.00 34.95 34.18 2pu9 s ARG 66 CO -0.09 0.06 1.93 -1.35 0.02 0.00 0.00 175.30 175.87 2pu9 h PRO 67 N 1.81 0.43 0.00 3.54 0.11 -1.93 -1.49 132.00 134.46 2pu9 h PRO 67 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pu9 h PRO 67 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pu9 h PRO 67 CO 0.64 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 2pu9 n ASP 68 N -4.48 0.00 -0.19 -2.05 5.68 -1.26 -3.11 116.55 111.14 2pu9 n ASP 68 Ca 0.14 -0.78 0.11 0.00 -0.50 0.00 0.00 54.79 53.75 2pu9 n ASP 68 Cb 0.50 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2pu9 n ASP 68 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pu9 n GLU 69 N -1.04 0.48 -4.33 0.11 1.02 -0.56 -4.80 120.64 111.53 2pu9 n GLU 69 Ca 0.20 -0.38 -0.19 0.00 -0.02 0.00 0.00 57.16 56.77 2pu9 n GLU 69 Cb 0.11 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 2pu9 n GLU 69 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2pu9 s VAL 70 N -2.78 1.69 -0.03 2.62 -7.23 -1.18 -0.99 120.40 112.50 2pu9 s VAL 70 Ca 0.13 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2pu9 s VAL 70 Cb 0.17 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 35.21 2pu9 s VAL 70 CO 0.72 -0.51 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.09 2pu9 s THR 71 N -2.65 0.29 0.50 5.32 2.01 -0.40 -4.84 115.64 115.87 2pu9 s THR 71 Ca 0.19 -0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 2pu9 s THR 71 Cb -0.02 -0.35 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 2pu9 s THR 71 CO 0.06 0.16 1.40 -0.22 -0.69 0.00 0.00 174.62 175.32 2pu9 s LEU 72 N 0.81 3.99 -0.33 4.42 2.96 -1.26 -1.39 118.68 127.87 2pu9 s LEU 72 Ca -0.09 2.85 0.04 0.00 -0.22 0.00 0.00 54.13 56.71 2pu9 s LEU 72 Cb -0.12 -4.10 0.10 0.00 0.50 0.00 0.00 46.19 42.57 2pu9 s LEU 72 CO -0.01 -1.37 0.05 -0.63 -1.32 0.00 0.00 176.35 173.07 2pu9 s ILE 73 N -1.25 2.15 0.00 6.68 1.01 0.11 -4.86 121.20 125.05 2pu9 s ILE 73 Ca 0.66 -2.23 0.00 0.00 0.00 0.00 0.00 60.65 59.08 2pu9 s ILE 73 Cb -0.42 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2pu9 s ILE 73 CO 0.52 -0.58 0.00 -1.84 0.00 0.00 0.00 174.94 173.04