#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7fdr s PHE 2 N 0.00 3.27 -0.02 0.00 0.40 -1.26 -1.37 117.98 119.00 7fdr s PHE 2 Ca 0.00 0.09 -0.00 0.00 -0.60 0.00 0.00 56.93 56.42 7fdr s PHE 2 Cb 0.00 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.52 7fdr s PHE 2 CO 0.00 -0.06 0.03 0.08 0.70 0.00 0.00 175.22 175.97 7fdr s VAL 3 N -2.32 -0.05 -0.10 -0.44 1.01 0.33 -4.73 120.40 114.10 7fdr s VAL 3 Ca 0.44 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 7fdr s VAL 3 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 7fdr s VAL 3 CO 0.34 0.07 0.71 -0.69 0.00 0.00 0.00 175.10 175.53 7fdr s VAL 4 N 0.90 5.02 0.00 2.92 1.01 -1.26 -1.64 120.40 127.34 7fdr s VAL 4 Ca -0.07 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.33 7fdr s VAL 4 Cb -0.11 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.24 7fdr s VAL 4 CO -0.03 0.19 0.00 0.35 0.00 0.00 0.00 175.10 175.62 7fdr n THR 5 N 4.07 0.00 -0.21 3.92 -2.24 -0.17 -4.87 114.28 114.79 7fdr n THR 5 Ca -0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 7fdr n THR 5 Cb 0.51 -0.30 0.10 0.00 -2.10 0.00 0.00 70.33 68.54 7fdr n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 7fdr h ASP 6 N 0.00 -0.29 0.35 3.42 3.58 -1.94 -2.78 116.42 118.76 7fdr h ASP 6 Ca 0.00 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.61 7fdr h ASP 6 Cb 0.00 0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.33 7fdr h ASP 6 CO 0.00 -0.12 0.00 -1.13 -2.88 0.00 0.00 179.24 175.11 7fdr h ASN 7 N 0.11 0.00 -0.53 2.28 -1.24 -1.87 -2.00 115.58 112.33 7fdr h ASN 7 Ca 0.33 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.24 7fdr h ASN 7 Cb 0.53 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.56 7fdr h ASN 7 CO -0.54 0.00 -0.04 0.00 -1.29 0.00 0.00 177.43 175.56 7fdr n ILE 9 N -4.17 0.15 -0.97 0.00 5.41 -0.75 0.82 119.36 119.84 7fdr n ILE 9 Ca 0.02 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.75 7fdr n ILE 9 Cb 0.36 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 7fdr n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 7fdr n LYS 10 N 3.96 -1.29 0.01 0.38 5.02 -0.53 -4.76 118.16 120.94 7fdr n LYS 10 Ca 0.20 0.32 -0.02 0.00 -2.02 0.00 0.00 58.31 56.80 7fdr n LYS 10 Cb 0.23 -4.37 -0.01 0.00 -0.02 0.00 0.00 35.03 30.86 7fdr n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 7fdr n LYS 12 N -3.37 -3.03 -0.18 0.00 4.81 0.14 -2.10 118.16 114.42 7fdr n LYS 12 Ca -0.03 0.52 0.01 0.00 -0.87 0.00 0.00 58.31 57.94 7fdr n LYS 12 Cb 0.10 -4.66 0.27 0.00 0.02 0.00 0.00 35.03 30.76 7fdr n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 7fdr h TYR 13 N -1.83 0.88 -1.03 5.64 0.05 -1.91 -3.35 116.97 115.42 7fdr h TYR 13 Ca -0.64 0.02 -0.27 0.00 0.05 0.00 0.00 58.73 57.90 7fdr h TYR 13 Cb 1.36 -0.30 -0.08 0.00 1.01 0.00 0.00 36.73 38.73 7fdr h TYR 13 CO 0.42 0.56 -0.28 0.25 -1.05 0.00 0.00 178.16 178.06 7fdr n THR 14 N -4.43 -0.20 0.07 -2.88 -2.24 -1.26 -4.18 114.28 99.16 7fdr n THR 14 Ca 0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 7fdr n THR 14 Cb 0.04 -1.65 0.27 0.00 -2.10 0.00 0.00 70.33 66.88 7fdr n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 7fdr h ASP 15 N 0.00 0.33 -0.98 3.42 3.32 -1.90 -3.27 116.42 117.35 7fdr h ASP 15 Ca -0.28 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 56.71 7fdr h ASP 15 Cb 0.98 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 7fdr h ASP 15 CO 0.39 0.59 0.64 0.00 -1.72 0.00 0.00 179.24 179.14 7fdr h VAL 17 N 1.20 0.91 0.00 0.00 -1.51 -1.93 -2.96 116.25 111.96 7fdr h VAL 17 Ca 0.40 -1.01 -0.03 0.00 -1.23 0.00 0.00 66.70 64.83 7fdr h VAL 17 Cb 0.06 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 7fdr h VAL 17 CO -0.13 0.26 -0.17 1.05 -1.23 0.00 0.00 177.57 177.35 7fdr h GLU 18 N 0.00 0.00 -0.01 5.19 -0.00 -1.67 -2.66 114.58 115.44 7fdr h GLU 18 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 7fdr h GLU 18 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.32 7fdr h GLU 18 CO 0.03 0.17 -0.68 1.33 -0.00 0.00 0.00 179.01 179.86 7fdr n VAL 19 N -4.26 0.00 -2.21 -1.06 0.24 -1.12 -4.93 118.33 104.99 7fdr n VAL 19 Ca -0.02 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.76 7fdr n VAL 19 Cb 0.24 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.44 7fdr n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7fdr h PRO 21 N 10.19 0.00 -0.04 0.00 0.13 -1.91 -3.19 132.00 137.18 7fdr h PRO 21 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 7fdr h PRO 21 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 7fdr h PRO 21 CO 1.01 0.34 0.00 1.33 -0.23 0.00 0.00 178.00 180.45 7fdr n VAL 22 N -3.58 0.03 -3.59 1.56 0.24 -1.26 -5.03 118.33 106.70 7fdr n VAL 22 Ca -0.01 -0.52 -0.21 0.00 -2.04 0.00 0.00 64.34 61.57 7fdr n VAL 22 Cb 0.47 1.37 0.05 0.00 -1.47 0.00 0.00 33.84 34.26 7fdr n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 7fdr n ASP 23 N 1.07 -2.44 -1.53 -1.34 8.00 -1.21 -4.90 116.55 114.21 7fdr n ASP 23 Ca 0.11 -0.79 -0.08 0.00 0.71 0.00 0.00 54.79 54.74 7fdr n ASP 23 Cb 0.48 -4.35 0.21 0.00 -0.02 0.00 0.00 41.12 37.44 7fdr n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 7fdr s PHE 25 N -3.19 3.58 -0.03 0.00 0.08 -1.26 -1.12 117.98 116.05 7fdr s PHE 25 Ca 0.49 0.80 0.05 0.00 0.12 0.00 0.00 56.93 58.38 7fdr s PHE 25 Cb 0.42 -2.33 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 7fdr s PHE 25 CO 0.05 0.42 -0.17 0.71 -0.10 0.00 0.00 175.22 176.13 7fdr s TYR 26 N -0.22 1.68 -0.22 0.36 1.51 -0.08 -1.39 117.35 118.98 7fdr s TYR 26 Ca 0.21 -0.43 -0.08 0.00 -1.01 0.00 0.00 57.07 55.76 7fdr s TYR 26 Cb -0.15 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 7fdr s TYR 26 CO 0.09 -0.12 0.09 -2.00 -1.11 0.00 0.00 175.55 172.49 7fdr s GLU 27 N -0.11 3.86 0.38 -0.62 2.12 0.45 -1.06 118.70 123.73 7fdr s GLU 27 Ca -0.00 -0.39 0.08 0.00 0.36 0.00 0.00 54.97 55.02 7fdr s GLU 27 Cb -0.10 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 7fdr s GLU 27 CO 0.01 0.03 0.29 0.20 -0.54 0.00 0.00 175.26 175.25 7fdr s GLY 28 N 1.06 2.05 0.32 -1.50 0.00 -0.10 -3.89 107.32 105.26 7fdr s GLY 28 Ca 0.05 -1.85 0.05 0.00 0.00 0.00 0.00 44.72 42.97 7fdr s GLY 28 CO 0.03 -1.71 1.86 -2.55 0.00 0.00 0.00 173.10 170.74 7fdr h PRO 29 N 1.22 0.83 -0.02 2.90 0.11 -1.88 -3.27 132.00 131.89 7fdr h PRO 29 Ca -0.43 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 7fdr h PRO 29 Cb 1.26 -0.19 -0.32 0.00 0.11 0.00 0.00 31.00 31.86 7fdr h PRO 29 CO 0.60 0.55 -0.95 0.27 -0.21 0.00 0.00 178.00 178.26 7fdr n ASN 30 N -4.58 1.17 -3.60 -2.05 6.94 -1.26 -5.03 115.26 106.84 7fdr n ASN 30 Ca 0.18 -2.35 -0.09 0.00 -0.02 0.00 0.00 54.58 52.30 7fdr n ASN 30 Cb 0.40 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 7fdr n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 7fdr s PHE 31 N -0.71 -0.33 0.14 -2.53 5.36 -1.23 -1.45 117.98 117.23 7fdr s PHE 31 Ca 0.35 0.62 0.09 0.00 -0.96 0.00 0.00 56.93 57.03 7fdr s PHE 31 Cb 0.38 0.44 -0.04 0.00 -0.34 0.00 0.00 43.02 43.47 7fdr s PHE 31 CO -0.15 -0.27 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.66 7fdr s LEU 32 N -0.81 2.70 0.15 6.12 1.02 -1.26 -0.92 118.68 125.69 7fdr s LEU 32 Ca 0.01 -0.62 0.03 0.00 0.02 0.00 0.00 54.13 53.57 7fdr s LEU 32 Cb -0.02 -1.50 -0.05 0.00 0.02 0.00 0.00 46.19 44.65 7fdr s LEU 32 CO -0.02 0.15 -0.05 0.68 0.02 0.00 0.00 176.35 177.13 7fdr s VAL 33 N -1.34 0.90 -0.15 -1.59 -7.23 -0.23 -4.74 120.40 106.03 7fdr s VAL 33 Ca 0.20 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 7fdr s VAL 33 Cb -0.10 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 7fdr s VAL 33 CO 0.11 -0.65 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.55 7fdr s ILE 34 N -3.50 3.59 -0.31 -0.62 1.01 -1.26 -0.90 121.20 119.22 7fdr s ILE 34 Ca 0.19 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 7fdr s ILE 34 Cb 0.05 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 7fdr s ILE 34 CO 0.01 0.50 1.43 -2.28 0.00 0.00 0.00 174.94 174.60 7fdr s HIS 35 N 0.38 2.44 0.35 3.97 5.65 -0.27 -4.41 115.29 123.40 7fdr s HIS 35 Ca -0.06 0.73 0.12 0.00 0.25 0.00 0.00 55.06 56.10 7fdr s HIS 35 Cb -0.15 -4.02 0.65 0.00 -1.18 0.00 0.00 32.58 27.88 7fdr s HIS 35 CO 0.04 -2.13 1.79 -1.00 -0.65 0.00 0.00 174.74 172.78 7fdr h PRO 36 N 10.11 0.01 0.00 2.88 0.13 -1.88 -1.33 132.00 141.92 7fdr h PRO 36 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 7fdr h PRO 36 Cb 1.12 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 7fdr h PRO 36 CO 1.04 0.42 0.00 -0.44 -0.23 0.00 0.00 178.00 178.79 7fdr h ASP 37 N 0.01 0.00 0.03 1.44 3.32 -1.99 -3.35 116.42 115.89 7fdr h ASP 37 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 7fdr h ASP 37 Cb 0.74 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 7fdr h ASP 37 CO 0.05 0.00 -2.22 -0.62 -1.72 0.00 0.00 179.24 174.74 7fdr n GLU 38 N -2.87 0.65 -1.58 3.56 1.02 -0.92 -4.95 120.64 115.55 7fdr n GLU 38 Ca 0.03 0.26 -0.50 0.00 -0.02 0.00 0.00 57.16 56.93 7fdr n GLU 38 Cb 0.39 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 7fdr n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 7fdr n ILE 40 N 1.80 1.74 -3.42 0.00 -5.35 -1.26 -4.71 119.36 108.17 7fdr n ILE 40 Ca 0.16 -1.35 -0.25 0.00 -0.27 0.00 0.00 62.75 61.04 7fdr n ILE 40 Cb 0.23 0.12 0.01 0.00 -1.74 0.00 0.00 39.64 38.26 7fdr n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 7fdr n ASP 41 N 0.44 -4.53 0.17 7.28 8.00 -1.26 -4.85 116.55 121.80 7fdr n ASP 41 Ca 0.20 -0.46 0.13 0.00 0.71 0.00 0.00 54.79 55.37 7fdr n ASP 41 Cb 0.76 -3.69 0.59 0.00 -0.02 0.00 0.00 41.12 38.77 7fdr n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 7fdr n ALA 43 N -1.83 0.00 0.20 0.00 0.00 -1.26 -4.87 120.51 112.75 7fdr n ALA 43 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 7fdr n ALA 43 Cb 0.17 -0.76 0.42 0.00 0.00 0.00 0.00 19.45 19.28 7fdr n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 7fdr h LEU 44 N 0.00 0.00 -0.22 0.00 3.38 -1.92 -2.95 115.31 113.60 7fdr h LEU 44 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 7fdr h LEU 44 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 7fdr h LEU 44 CO 0.00 0.32 -0.57 0.00 0.09 0.00 0.00 178.44 178.29 7fdr h GLU 46 N 0.00 0.03 0.00 0.00 4.22 -1.84 -0.31 114.58 116.67 7fdr h GLU 46 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 7fdr h GLU 46 Cb 1.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.59 7fdr h GLU 46 CO 0.07 0.02 0.00 -0.35 -2.18 0.00 0.00 179.01 176.57 7fdr n PRO 47 N -5.24 0.27 0.08 0.92 -0.04 -1.26 -3.45 135.00 126.28 7fdr n PRO 47 Ca 0.01 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 7fdr n PRO 47 Cb 0.18 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 7fdr n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 7fdr h GLU 48 N 0.00 0.00 -6.27 0.54 4.39 -1.23 -3.46 114.58 108.56 7fdr h GLU 48 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 7fdr h GLU 48 Cb 0.25 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 7fdr h GLU 48 CO 0.00 0.16 0.89 0.00 -1.16 0.00 0.00 179.01 178.90 7fdr h PRO 50 N 8.42 0.00 -0.00 0.00 0.11 -1.92 -0.50 132.00 138.10 7fdr h PRO 50 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 7fdr h PRO 50 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 7fdr h PRO 50 CO 1.02 0.01 -0.15 0.00 -0.21 0.00 0.00 178.00 178.67 7fdr n ALA 51 N -2.43 2.78 -3.52 -0.75 0.00 -1.26 -4.91 120.51 110.42 7fdr n ALA 51 Ca -0.03 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 7fdr n ALA 51 Cb 0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 7fdr n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 7fdr n GLN 52 N -1.19 -3.37 0.20 0.00 6.02 -0.20 -4.81 117.38 114.03 7fdr n GLN 52 Ca 0.11 0.44 0.12 0.00 -0.01 0.00 0.00 57.00 57.67 7fdr n GLN 52 Cb 0.30 -5.16 0.18 0.00 1.02 0.00 0.00 30.24 26.58 7fdr n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 7fdr h ALA 53 N 0.96 0.95 -2.83 -1.58 0.00 -1.91 -3.46 119.26 111.39 7fdr h ALA 53 Ca -0.45 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 7fdr h ALA 53 Cb 1.30 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 7fdr h ALA 53 CO 0.57 0.00 -0.17 0.42 0.00 0.00 0.00 179.25 180.07 7fdr s ILE 54 N -3.21 5.11 0.08 0.00 1.01 -1.26 -1.00 121.20 121.92 7fdr s ILE 54 Ca 0.07 0.89 0.05 0.00 0.00 0.00 0.00 60.65 61.66 7fdr s ILE 54 Cb 0.06 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 7fdr s ILE 54 CO 0.67 0.44 -0.15 -0.36 0.00 0.00 0.00 174.94 175.55 7fdr s PHE 55 N -0.15 1.28 0.41 3.97 0.40 -0.65 -4.84 117.98 118.39 7fdr s PHE 55 Ca 0.24 -0.46 -0.25 0.00 -0.60 0.00 0.00 56.93 55.86 7fdr s PHE 55 Cb -0.16 -0.72 -0.11 0.00 0.51 0.00 0.00 43.02 42.55 7fdr s PHE 55 CO 0.11 0.08 1.00 0.45 0.70 0.00 0.00 175.22 177.56 7fdr n SER 56 N 1.21 1.21 -0.33 1.36 2.88 -1.26 -0.51 113.62 118.17 7fdr n SER 56 Ca -0.21 1.05 0.04 0.00 -1.33 0.00 0.00 58.87 58.42 7fdr n SER 56 Cb 0.54 -1.34 0.22 0.00 -0.75 0.00 0.00 64.21 62.88 7fdr n SER 56 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 7fdr h GLU 57 N 1.58 1.05 0.00 -1.46 4.81 -1.54 -0.28 114.58 118.73 7fdr h GLU 57 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 7fdr h GLU 57 Cb 1.34 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.48 7fdr h GLU 57 CO 0.57 0.69 0.00 -0.40 -0.73 0.00 0.00 179.01 179.14 7fdr n ASP 58 N -4.50 0.00 0.00 1.04 5.68 -1.26 -2.61 116.55 114.90 7fdr n ASP 58 Ca 0.15 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 7fdr n ASP 58 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 7fdr n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 7fdr n GLU 59 N -0.89 0.36 -1.67 0.11 1.02 -0.16 -5.03 120.64 114.38 7fdr n GLU 59 Ca 0.15 -0.75 -0.44 0.00 -0.02 0.00 0.00 57.16 56.10 7fdr n GLU 59 Cb 0.07 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 7fdr n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 7fdr n VAL 60 N -0.15 0.59 -1.54 2.62 0.31 -0.94 -4.88 118.33 114.33 7fdr n VAL 60 Ca 0.00 -0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 7fdr n VAL 60 Cb 0.13 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 7fdr n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 7fdr n PRO 61 N 6.66 0.98 -0.29 5.55 -0.02 -1.26 -4.80 135.00 141.82 7fdr n PRO 61 Ca 0.20 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 7fdr n PRO 61 Cb 0.37 -1.76 0.21 0.00 -0.02 0.00 0.00 33.50 32.30 7fdr n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 7fdr h GLU 62 N 1.28 0.61 0.00 -0.52 4.22 -2.01 -0.45 114.58 117.71 7fdr h GLU 62 Ca -0.41 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.99 7fdr h GLU 62 Cb 1.37 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.48 7fdr h GLU 62 CO 0.55 0.40 0.00 -0.40 -2.18 0.00 0.00 179.01 177.38 7fdr n ASP 63 N -4.87 0.00 -0.37 1.04 5.75 -1.26 -2.79 116.55 114.05 7fdr n ASP 63 Ca 0.16 -1.36 0.05 0.00 -0.01 0.00 0.00 54.79 53.63 7fdr n ASP 63 Cb 0.41 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.57 7fdr n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 7fdr n MET 64 N -0.71 0.59 0.29 0.11 2.81 -0.20 -4.84 117.12 115.17 7fdr n MET 64 Ca 0.09 -1.79 0.15 0.00 -1.81 0.00 0.00 57.70 54.34 7fdr n MET 64 Cb 0.04 -0.94 0.88 0.00 -0.71 0.00 0.00 33.22 32.49 7fdr n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 7fdr h GLN 65 N 0.08 0.00 0.00 0.03 1.08 -1.32 -0.86 115.11 114.12 7fdr h GLN 65 Ca -0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 7fdr h GLN 65 Cb 1.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.67 7fdr h GLN 65 CO 0.00 0.04 -0.07 1.05 -0.95 0.00 0.00 178.83 178.90 7fdr h GLU 66 N 0.00 0.00 0.00 1.46 9.09 -1.88 -2.02 114.58 121.23 7fdr h GLU 66 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 7fdr h GLU 66 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 7fdr h GLU 66 CO 0.01 0.07 -0.18 0.74 0.05 0.00 0.00 179.01 179.70 7fdr h PHE 67 N 0.00 0.00 0.91 2.06 -1.00 -1.50 -2.43 116.94 114.98 7fdr h PHE 67 Ca -0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 7fdr h PHE 67 Cb 0.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.85 7fdr h PHE 67 CO 0.00 0.18 -0.49 0.82 -1.61 0.00 0.00 178.31 177.21 7fdr h ILE 68 N 0.00 0.01 -0.54 -0.55 2.04 -1.55 -0.31 117.51 116.61 7fdr h ILE 68 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 7fdr h ILE 68 Cb 0.40 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 7fdr h ILE 68 CO 0.02 0.00 0.18 -0.61 0.00 0.00 0.00 178.15 177.74 7fdr h GLN 69 N -1.29 0.79 -0.61 2.37 4.15 -1.74 -2.52 115.11 116.27 7fdr h GLN 69 Ca -0.12 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.13 7fdr h GLN 69 Cb 1.01 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 7fdr h GLN 69 CO 0.17 0.68 0.23 1.25 -1.93 0.00 0.00 178.83 179.23 7fdr h LEU 70 N 0.77 0.81 -0.26 -2.39 5.85 -1.24 0.21 115.31 119.07 7fdr h LEU 70 Ca 0.18 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 7fdr h LEU 70 Cb 0.21 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 7fdr h LEU 70 CO -0.01 0.73 0.09 0.78 -0.34 0.00 0.00 178.44 179.70 7fdr h ASN 71 N 0.87 0.37 -0.44 1.25 -0.26 -0.64 0.31 115.58 117.03 7fdr h ASN 71 Ca 0.20 -0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 7fdr h ASN 71 Cb 0.19 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 7fdr h ASN 71 CO -0.02 0.45 0.16 0.00 -1.06 0.00 0.00 177.43 176.97 7fdr h ALA 72 N 0.93 1.35 0.08 -0.83 0.00 -0.85 0.20 119.26 120.15 7fdr h ALA 72 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 7fdr h ALA 72 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 7fdr h ALA 72 CO -0.01 0.47 -0.04 0.93 0.00 0.00 0.00 179.25 180.61 7fdr h GLU 73 N 0.72 -0.11 0.00 0.00 4.39 -0.36 -3.27 114.58 115.95 7fdr h GLU 73 Ca 0.17 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 7fdr h GLU 73 Cb 0.20 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 7fdr h GLU 73 CO -0.01 0.39 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.01 7fdr h LEU 74 N -0.69 0.00 -2.06 1.33 3.38 -0.80 -1.87 115.31 114.60 7fdr h LEU 74 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 7fdr h LEU 74 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 7fdr h LEU 74 CO 0.02 0.15 -0.04 0.00 0.09 0.00 0.00 178.44 178.66 7fdr h ALA 75 N 1.85 1.08 0.00 1.53 0.00 -1.00 -1.51 119.26 121.21 7fdr h ALA 75 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 7fdr h ALA 75 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 7fdr h ALA 75 CO 0.02 0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.25 7fdr h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.42 -3.38 114.58 114.17 7fdr h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 7fdr h GLU 76 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 7fdr h GLU 76 CO 0.01 0.00 -0.26 1.33 -1.16 0.00 0.00 179.01 178.93 7fdr n VAL 77 N -2.87 0.00 -3.46 3.13 0.24 -0.77 -5.05 118.33 109.55 7fdr n VAL 77 Ca 0.04 -0.27 -0.27 0.00 -2.04 0.00 0.00 64.34 61.81 7fdr n VAL 77 Cb 0.47 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 7fdr n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 7fdr s TRP 78 N -1.05 3.49 0.38 6.34 0.51 -0.64 -5.09 118.94 122.88 7fdr s TRP 78 Ca 0.00 0.45 -0.24 0.00 -2.12 0.00 0.00 56.10 54.19 7fdr s TRP 78 Cb 0.00 -1.96 -0.10 0.00 -0.81 0.00 0.00 33.47 30.61 7fdr s TRP 78 CO 0.00 0.22 0.98 -1.25 -0.51 0.00 0.00 176.95 176.39 7fdr s PRO 79 N -3.74 4.32 0.42 4.98 0.04 -1.25 -4.69 135.00 135.07 7fdr s PRO 79 Ca 0.41 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 7fdr s PRO 79 Cb -0.10 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 7fdr s PRO 79 CO 0.32 0.03 1.40 1.21 0.04 0.00 0.00 177.00 180.00 7fdr s ASN 80 N -1.79 6.10 -0.11 6.66 3.04 -1.26 -0.41 114.94 127.17 7fdr s ASN 80 Ca 0.57 2.87 0.02 0.00 0.04 0.00 0.00 52.86 56.36 7fdr s ASN 80 Cb -0.17 -2.65 0.01 0.00 -1.54 0.00 0.00 41.25 36.90 7fdr s ASN 80 CO 0.21 -1.02 -0.16 -0.51 -3.04 0.00 0.00 177.10 172.58 7fdr s ILE 81 N -1.20 1.56 0.00 -5.21 2.07 -0.49 -4.76 121.20 113.17 7fdr s ILE 81 Ca 0.58 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 7fdr s ILE 81 Cb -0.43 -1.41 0.00 0.00 0.13 0.00 0.00 42.46 40.75 7fdr s ILE 81 CO 0.56 0.45 0.54 0.35 -1.91 0.00 0.00 174.94 174.93 7fdr n THR 82 N 4.07 0.28 -4.16 4.00 -2.24 -1.26 -4.42 114.28 110.56 7fdr n THR 82 Ca -0.20 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 60.95 7fdr n THR 82 Cb 0.51 1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 69.65 7fdr n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 7fdr s GLU 83 N -0.28 0.61 0.46 -0.78 2.02 -1.26 -4.76 118.70 114.70 7fdr s GLU 83 Ca 0.00 -0.14 -0.25 0.00 0.02 0.00 0.00 54.97 54.60 7fdr s GLU 83 Cb 0.00 -0.62 -0.08 0.00 0.10 0.00 0.00 34.13 33.53 7fdr s GLU 83 CO 0.00 0.02 1.43 0.21 0.02 0.00 0.00 175.26 176.94 7fdr s LYS 84 N 0.42 3.64 0.29 1.61 2.47 -1.26 -4.98 119.74 121.93 7fdr s LYS 84 Ca -0.05 2.43 0.02 0.00 -1.56 0.00 0.00 55.97 56.81 7fdr s LYS 84 Cb -0.09 -2.63 -0.05 0.00 -1.46 0.00 0.00 37.83 33.61 7fdr s LYS 84 CO -0.00 -0.86 0.11 -1.59 0.16 0.00 0.00 175.35 173.17 7fdr s LYS 85 N -2.49 1.54 0.36 4.03 -2.85 -1.26 -5.11 119.74 113.97 7fdr s LYS 85 Ca 0.62 -1.86 -0.28 0.00 -1.00 0.00 0.00 55.97 53.45 7fdr s LYS 85 Cb -0.44 -0.36 -0.12 0.00 -2.06 0.00 0.00 37.83 34.85 7fdr s LYS 85 CO 0.56 -0.33 1.33 -0.25 0.10 0.00 0.00 175.35 176.76 7fdr n ASP 86 N -0.69 2.95 -4.71 0.03 8.00 -1.26 -4.70 116.55 116.16 7fdr n ASP 86 Ca -0.01 1.20 -0.33 0.00 0.71 0.00 0.00 54.79 56.36 7fdr n ASP 86 Cb 0.66 -1.52 0.12 0.00 -0.02 0.00 0.00 41.12 40.36 7fdr n ASP 86 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 7fdr s PRO 87 N -1.98 1.81 0.50 -0.24 0.02 -1.26 -4.91 135.00 128.94 7fdr s PRO 87 Ca 0.56 1.68 -0.22 0.00 0.02 0.00 0.00 61.00 63.04 7fdr s PRO 87 Cb -0.54 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.10 7fdr s PRO 87 CO 0.62 -2.07 1.13 1.28 -0.33 0.00 0.00 177.00 177.63 7fdr n LEU 88 N -3.20 3.89 -0.35 -5.54 4.77 -0.89 -4.88 117.00 110.79 7fdr n LEU 88 Ca 0.13 0.97 0.12 0.00 -0.03 0.00 0.00 56.01 57.20 7fdr n LEU 88 Cb 0.51 -1.45 0.31 0.00 -2.33 0.00 0.00 43.42 40.46 7fdr n LEU 88 CO 0.48 -1.20 1.21 -0.65 -1.33 0.00 0.00 177.39 175.90 7fdr h PRO 89 N 1.34 0.79 -0.81 3.23 0.11 -1.91 -2.40 132.00 132.35 7fdr h PRO 89 Ca -0.48 -0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.05 7fdr h PRO 89 Cb 1.33 -0.18 -0.30 0.00 0.11 0.00 0.00 31.00 31.96 7fdr h PRO 89 CO 0.56 0.52 0.17 -0.25 -0.21 0.00 0.00 178.00 178.79 7fdr n ASP 90 N -4.70 5.56 -0.24 -2.05 8.00 -1.26 -4.73 116.55 117.12 7fdr n ASP 90 Ca 0.22 -3.76 -0.04 0.00 0.71 0.00 0.00 54.79 51.91 7fdr n ASP 90 Cb 0.51 -0.71 0.07 0.00 -0.02 0.00 0.00 41.12 40.97 7fdr n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 7fdr h ALA 91 N 1.78 0.89 -0.95 2.24 0.00 -1.58 -0.40 119.26 121.24 7fdr h ALA 91 Ca 0.47 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.46 7fdr h ALA 91 Cb 1.38 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 7fdr h ALA 91 CO 1.09 0.22 0.59 1.49 0.00 0.00 0.00 179.25 182.63 7fdr h GLU 92 N 0.86 0.94 -0.42 0.00 4.81 -1.86 -0.29 114.58 118.63 7fdr h GLU 92 Ca 0.27 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 7fdr h GLU 92 Cb -0.01 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 7fdr h GLU 92 CO -0.09 0.62 0.19 -0.44 -0.73 0.00 0.00 179.01 178.56 7fdr h ASP 93 N 0.97 0.53 0.02 1.04 3.32 -1.45 -3.09 116.42 117.76 7fdr h ASP 93 Ca 0.45 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.46 7fdr h ASP 93 Cb 0.38 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.79 7fdr h ASP 93 CO -0.24 0.46 -0.80 0.79 -1.72 0.00 0.00 179.24 177.74 7fdr n TRP 94 N -4.39 0.00 -2.02 4.55 7.02 -0.54 -4.77 117.44 117.29 7fdr n TRP 94 Ca 0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.08 7fdr n TRP 94 Cb 0.13 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 28.98 7fdr n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 7fdr s ASP 95 N -2.83 6.17 0.00 -0.99 -1.08 -0.23 -1.90 116.67 115.81 7fdr s ASP 95 Ca 0.12 1.61 0.00 0.00 -0.52 0.00 0.00 52.55 53.75 7fdr s ASP 95 Cb 0.17 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 7fdr s ASP 95 CO 0.76 -1.43 0.00 0.61 0.52 0.00 0.00 175.17 175.63 7fdr n GLY 96 N 4.96 0.89 3.71 2.66 0.00 -1.26 -5.03 105.19 111.12 7fdr n GLY 96 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 7fdr n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7fdr s VAL 97 N -2.16 4.69 0.48 1.61 1.01 -0.80 -5.01 120.40 120.21 7fdr s VAL 97 Ca 0.00 1.93 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 7fdr s VAL 97 Cb 0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 7fdr s VAL 97 CO 0.00 0.15 0.78 -0.54 0.00 0.00 0.00 175.10 175.48 7fdr s LYS 98 N 1.05 3.46 -0.97 2.72 -0.14 -1.26 -4.41 119.74 120.19 7fdr s LYS 98 Ca 0.53 0.12 -0.01 0.00 -1.36 0.00 0.00 55.97 55.25 7fdr s LYS 98 Cb -0.23 -2.39 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 7fdr s LYS 98 CO 0.28 -0.24 0.12 0.41 -0.76 0.00 0.00 175.35 175.16 7fdr n GLY 99 N -2.26 -0.08 0.00 -3.33 0.00 -1.26 -4.90 105.19 93.37 7fdr n GLY 99 Ca 0.01 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.76 7fdr n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 7fdr n LYS 100 N -2.30 0.23 0.13 1.61 5.02 -1.26 -2.93 118.16 118.66 7fdr n LYS 100 Ca -0.11 0.13 0.16 0.00 -2.02 0.00 0.00 58.31 56.46 7fdr n LYS 100 Cb 0.59 -1.50 0.70 0.00 -0.02 0.00 0.00 35.03 34.81 7fdr n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 7fdr h LEU 101 N 0.00 0.00 -0.82 -0.35 5.85 -1.90 0.17 115.31 118.26 7fdr h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 7fdr h LEU 101 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 7fdr h LEU 101 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 7fdr n GLN 102 N -4.31 0.14 0.00 1.25 10.64 -1.15 -1.68 117.38 122.27 7fdr n GLN 102 Ca 0.04 0.49 0.09 0.00 -1.83 0.00 0.00 57.00 55.79 7fdr n GLN 102 Cb 0.38 -1.83 0.01 0.00 -0.86 0.00 0.00 30.24 27.94 7fdr n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 7fdr n HIS 103 N -2.09 0.00 -1.69 2.61 8.25 0.60 -5.00 115.22 117.89 7fdr n HIS 103 Ca 0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 7fdr n HIS 103 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 7fdr n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 7fdr n LEU 104 N 0.05 3.41 -4.54 2.41 7.94 -0.68 -4.97 117.00 120.63 7fdr n LEU 104 Ca 0.08 1.10 -0.34 0.00 -1.11 0.00 0.00 56.01 55.74 7fdr n LEU 104 Cb 0.41 -1.47 -0.12 0.00 0.53 0.00 0.00 43.42 42.77 7fdr n LEU 104 CO 0.23 -0.20 -0.34 -1.61 -1.11 0.00 0.00 177.39 174.35 7fdr s GLU 105 N 0.47 3.55 0.00 1.96 2.02 -1.26 -5.10 118.70 120.34 7fdr s GLU 105 Ca 0.74 -0.50 0.30 0.00 0.02 0.00 0.00 54.97 55.53 7fdr s GLU 105 Cb -0.62 -2.90 1.80 0.00 0.10 0.00 0.00 34.13 32.52 7fdr s GLU 105 CO 0.41 0.33 2.13 -2.13 0.02 0.00 0.00 175.26 176.02