#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0t s PHE 2 N 0.00 3.48 -0.03 0.00 0.40 -1.26 -1.85 117.98 118.72 1b0t s PHE 2 Ca 0.00 0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.77 1b0t s PHE 2 Cb 0.00 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1b0t s PHE 2 CO 0.00 0.31 -0.12 0.08 0.70 0.00 0.00 175.22 176.19 1b0t s VAL 3 N -1.96 1.01 -0.13 -0.44 1.01 0.16 -4.67 120.40 115.37 1b0t s VAL 3 Ca 0.40 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1b0t s VAL 3 Cb -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1b0t s VAL 3 CO 0.30 0.30 0.42 -0.69 0.00 0.00 0.00 175.10 175.43 1b0t s VAL 4 N 0.12 5.22 0.00 2.92 1.01 -1.26 -1.62 120.40 126.80 1b0t s VAL 4 Ca -0.03 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1b0t s VAL 4 Cb -0.09 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1b0t s VAL 4 CO 0.01 0.35 0.00 0.35 0.00 0.00 0.00 175.10 175.81 1b0t n THR 5 N 3.63 0.00 -0.34 3.92 -2.24 -0.18 -4.87 114.28 114.19 1b0t n THR 5 Ca -0.09 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.85 1b0t n THR 5 Cb 0.52 -0.39 0.37 0.00 -2.10 0.00 0.00 70.33 68.73 1b0t n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1b0t h ASP 6 N 0.00 0.71 0.80 3.42 3.58 -1.95 -2.31 116.42 120.67 1b0t h ASP 6 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1b0t h ASP 6 Cb 0.00 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1b0t h ASP 6 CO 0.00 0.20 0.00 -3.20 -2.88 0.00 0.00 179.24 173.36 1b0t n ASN 7 N -4.77 0.56 -0.06 2.28 5.15 -1.26 -1.83 115.26 115.32 1b0t n ASN 7 Ca 0.24 0.62 -0.04 0.00 -0.60 0.00 0.00 54.58 54.81 1b0t n ASN 7 Cb 0.66 -0.75 0.18 0.00 -0.53 0.00 0.00 39.78 39.34 1b0t n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b0t n ILE 9 N -4.19 0.28 -1.15 0.00 5.41 -0.76 -0.58 119.36 118.37 1b0t n ILE 9 Ca 0.01 -0.07 -0.05 0.00 1.00 0.00 0.00 62.75 63.64 1b0t n ILE 9 Cb 0.34 -1.72 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 1b0t n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1b0t n LYS 10 N 3.21 -1.16 0.02 0.38 5.02 -0.44 -4.77 118.16 120.43 1b0t n LYS 10 Ca 0.15 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1b0t n LYS 10 Cb 0.32 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.76 1b0t n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b0t n LYS 12 N -2.85 -0.72 0.24 0.00 4.81 -0.39 -2.39 118.16 116.86 1b0t n LYS 12 Ca 0.00 0.28 0.09 0.00 -0.87 0.00 0.00 58.31 57.82 1b0t n LYS 12 Cb 0.00 -3.22 0.60 0.00 0.02 0.00 0.00 35.03 32.42 1b0t n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1b0t h TYR 13 N -2.19 0.00 -0.06 5.64 0.05 -1.91 -3.30 116.97 115.20 1b0t h TYR 13 Ca -0.68 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.08 1b0t h TYR 13 Cb 1.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.12 1b0t h TYR 13 CO 0.35 0.19 -0.01 0.25 -1.05 0.00 0.00 178.16 177.88 1b0t n THR 14 N -3.83 0.00 -0.19 -2.88 -2.24 -1.26 -4.34 114.28 99.54 1b0t n THR 14 Ca -0.02 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1b0t n THR 14 Cb 0.29 -0.78 0.42 0.00 -2.10 0.00 0.00 70.33 68.16 1b0t n THR 14 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1b0t h LYS 15 N 0.00 0.58 -0.74 -0.78 1.79 -1.90 -2.36 116.57 113.15 1b0t h LYS 15 Ca -0.02 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.52 1b0t h LYS 15 Cb 0.75 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 1b0t h LYS 15 CO 0.02 0.38 0.49 0.00 -1.08 0.00 0.00 179.45 179.26 1b0t h VAL 17 N 0.64 0.05 -0.66 0.00 -1.51 -1.80 -3.00 116.25 109.96 1b0t h VAL 17 Ca 0.34 -0.63 0.05 0.00 -1.23 0.00 0.00 66.70 65.24 1b0t h VAL 17 Cb 0.48 1.60 -0.05 0.00 -2.13 0.00 0.00 31.29 31.18 1b0t h VAL 17 CO -0.12 0.02 0.37 -0.08 -1.23 0.00 0.00 177.57 176.53 1b0t h GLU 18 N 0.00 0.68 0.00 5.19 4.57 -1.61 -2.68 114.58 120.73 1b0t h GLU 18 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1b0t h GLU 18 Cb 0.60 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1b0t h GLU 18 CO 0.00 0.45 -0.57 1.55 -1.18 0.00 0.00 179.01 179.26 1b0t n VAL 19 N -4.77 0.19 -1.95 0.32 3.14 -1.14 -4.89 118.33 109.23 1b0t n VAL 19 Ca 0.08 -0.16 -0.42 0.00 -2.96 0.00 0.00 64.34 60.88 1b0t n VAL 19 Cb 0.15 0.02 -0.03 0.00 -1.06 0.00 0.00 33.84 32.92 1b0t n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b0t h PRO 21 N 9.28 0.00 -0.05 0.00 0.13 -1.91 -3.30 132.00 136.15 1b0t h PRO 21 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1b0t h PRO 21 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1b0t h PRO 21 CO 0.94 0.21 0.00 1.33 -0.23 0.00 0.00 178.00 180.26 1b0t n VAL 22 N -3.23 0.12 -3.43 1.56 0.24 -1.26 -5.02 118.33 107.31 1b0t n VAL 22 Ca 0.02 -0.56 -0.22 0.00 -2.04 0.00 0.00 64.34 61.54 1b0t n VAL 22 Cb 0.52 1.14 0.06 0.00 -1.47 0.00 0.00 33.84 34.09 1b0t n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1b0t n ASP 23 N 0.61 -6.11 -1.47 -1.34 8.00 -1.25 -4.95 116.55 110.04 1b0t n ASP 23 Ca 0.07 -0.83 -0.11 0.00 0.71 0.00 0.00 54.79 54.63 1b0t n ASP 23 Cb 0.29 -4.41 0.18 0.00 -0.02 0.00 0.00 41.12 37.17 1b0t n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b0t s PHE 25 N -3.31 3.58 0.03 0.00 0.40 -1.26 -0.57 117.98 116.85 1b0t s PHE 25 Ca 0.48 0.50 0.05 0.00 -0.60 0.00 0.00 56.93 57.37 1b0t s PHE 25 Cb 0.43 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 1b0t s PHE 25 CO 0.02 0.68 -0.16 0.71 0.70 0.00 0.00 175.22 177.17 1b0t s TYR 26 N -1.19 1.40 -0.13 0.36 1.51 -0.14 -1.76 117.35 117.40 1b0t s TYR 26 Ca 0.22 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1b0t s TYR 26 Cb -0.13 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1b0t s TYR 26 CO 0.12 0.04 0.02 -2.00 -1.11 0.00 0.00 175.55 172.62 1b0t s GLU 27 N -1.00 3.46 0.41 -0.62 2.12 0.18 -1.27 118.70 121.99 1b0t s GLU 27 Ca 0.04 -0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.05 1b0t s GLU 27 Cb -0.08 -2.98 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 1b0t s GLU 27 CO 0.01 0.49 0.07 0.20 -0.54 0.00 0.00 175.26 175.49 1b0t s GLY 28 N -0.27 2.45 0.29 -1.50 0.00 -0.30 -3.92 107.32 104.06 1b0t s GLY 28 Ca 0.07 -2.22 0.03 0.00 0.00 0.00 0.00 44.72 42.59 1b0t s GLY 28 CO 0.02 -2.03 1.75 -2.55 0.00 0.00 0.00 173.10 170.28 1b0t h PRO 29 N 1.64 0.60 0.00 2.90 0.11 -1.87 -3.29 132.00 132.09 1b0t h PRO 29 Ca -0.44 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1b0t h PRO 29 Cb 1.25 -0.13 -0.26 0.00 0.11 0.00 0.00 31.00 31.96 1b0t h PRO 29 CO 0.77 0.39 -0.85 0.27 -0.21 0.00 0.00 178.00 178.38 1b0t n ASN 30 N -4.88 0.84 -3.49 -2.05 6.94 -1.26 -5.04 115.26 106.32 1b0t n ASN 30 Ca 0.21 -2.15 -0.10 0.00 -0.02 0.00 0.00 54.58 52.51 1b0t n ASN 30 Cb 0.55 -0.29 -0.03 0.00 -2.36 0.00 0.00 39.78 37.65 1b0t n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1b0t s PHE 31 N -0.29 -0.41 0.10 -2.53 5.36 -1.24 -1.33 117.98 117.65 1b0t s PHE 31 Ca 0.26 0.34 0.10 0.00 -0.96 0.00 0.00 56.93 56.68 1b0t s PHE 31 Cb 0.29 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.46 1b0t s PHE 31 CO -0.12 -0.59 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.28 1b0t s LEU 32 N -2.31 2.28 0.21 6.12 1.02 -1.26 -1.15 118.68 123.59 1b0t s LEU 32 Ca 0.02 -0.70 0.08 0.00 0.02 0.00 0.00 54.13 53.56 1b0t s LEU 32 Cb -0.01 -1.19 -0.05 0.00 0.02 0.00 0.00 46.19 44.97 1b0t s LEU 32 CO -0.07 0.18 -0.15 0.68 0.02 0.00 0.00 176.35 177.01 1b0t s VAL 33 N -1.00 1.79 -0.15 -1.59 -7.23 -0.39 -4.74 120.40 107.08 1b0t s VAL 33 Ca 0.12 -2.23 -0.06 0.00 -1.81 0.00 0.00 61.98 58.01 1b0t s VAL 33 Cb -0.10 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1b0t s VAL 33 CO 0.05 -0.58 0.04 -0.63 -0.31 0.00 0.00 175.10 173.67 1b0t s ILE 34 N -2.94 4.60 -0.24 -0.62 1.01 -1.26 -0.97 121.20 120.79 1b0t s ILE 34 Ca 0.23 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 1b0t s ILE 34 Cb -0.01 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 1b0t s ILE 34 CO 0.07 0.51 1.19 -2.28 0.00 0.00 0.00 174.94 174.43 1b0t s HIS 35 N -0.00 2.97 0.28 3.97 5.65 0.26 -4.53 115.29 123.89 1b0t s HIS 35 Ca 0.05 1.11 0.26 0.00 0.25 0.00 0.00 55.06 56.73 1b0t s HIS 35 Cb -0.12 -3.57 1.22 0.00 -1.18 0.00 0.00 32.58 28.92 1b0t s HIS 35 CO 0.01 -1.28 1.96 -1.00 -0.65 0.00 0.00 174.74 173.78 1b0t h PRO 36 N 8.26 0.00 0.00 2.88 0.13 -1.90 -2.20 132.00 139.18 1b0t h PRO 36 Ca -0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1b0t h PRO 36 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1b0t h PRO 36 CO 1.00 0.16 -0.59 -0.44 -0.23 0.00 0.00 178.00 177.90 1b0t h ASP 37 N 0.00 0.00 0.40 1.44 3.32 -1.99 -3.33 116.42 116.26 1b0t h ASP 37 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1b0t h ASP 37 Cb 0.53 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1b0t h ASP 37 CO 0.02 0.59 -1.83 -0.62 -1.72 0.00 0.00 179.24 175.68 1b0t n GLU 38 N -3.27 0.64 -1.83 3.56 1.02 -0.92 -4.92 120.64 114.93 1b0t n GLU 38 Ca 0.01 0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 1b0t n GLU 38 Cb 0.76 -1.72 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 1b0t n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b0t n ILE 40 N 1.38 2.16 -3.36 0.00 -5.35 -1.26 -4.76 119.36 108.17 1b0t n ILE 40 Ca 0.04 -1.45 -0.23 0.00 -0.27 0.00 0.00 62.75 60.84 1b0t n ILE 40 Cb 0.39 -0.07 -0.00 0.00 -1.74 0.00 0.00 39.64 38.22 1b0t n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1b0t n ASP 41 N 0.41 -3.76 0.14 7.28 8.00 -1.26 -4.83 116.55 122.54 1b0t n ASP 41 Ca 0.24 -0.39 0.12 0.00 0.71 0.00 0.00 54.79 55.47 1b0t n ASP 41 Cb 0.93 -3.11 0.49 0.00 -0.02 0.00 0.00 41.12 39.41 1b0t n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b0t n ALA 43 N -1.80 -0.12 0.24 0.00 0.00 -1.26 -4.87 120.51 112.70 1b0t n ALA 43 Ca 0.03 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1b0t n ALA 43 Cb 0.27 -1.66 0.56 0.00 0.00 0.00 0.00 19.45 18.62 1b0t n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1b0t h LEU 44 N 0.00 0.00 -0.35 0.00 4.07 -1.92 -3.25 115.31 113.86 1b0t h LEU 44 Ca -0.16 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.61 1b0t h LEU 44 Cb 1.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 1b0t h LEU 44 CO 0.24 0.18 -0.83 0.00 -1.08 0.00 0.00 178.44 176.94 1b0t h GLU 46 N 0.09 0.00 0.00 0.00 4.11 -1.89 -0.56 114.58 116.33 1b0t h GLU 46 Ca -0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1b0t h GLU 46 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1b0t h GLU 46 CO 0.12 0.13 -0.26 -1.35 0.07 0.00 0.00 179.01 177.73 1b0t h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.79 -3.24 132.00 128.14 1b0t h PRO 47 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1b0t h PRO 47 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1b0t h PRO 47 CO 0.02 0.26 -0.22 0.93 -0.21 0.00 0.00 178.00 178.77 1b0t h GLU 48 N 0.00 0.00 -6.26 1.05 4.39 -1.29 -3.44 114.58 109.02 1b0t h GLU 48 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1b0t h GLU 48 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1b0t h GLU 48 CO 0.03 0.22 1.20 0.00 -1.16 0.00 0.00 179.01 179.31 1b0t h PRO 50 N 11.58 0.06 -0.00 0.00 0.11 -1.92 -2.10 132.00 139.72 1b0t h PRO 50 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1b0t h PRO 50 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b0t h PRO 50 CO 1.00 0.19 -0.01 0.00 -0.21 0.00 0.00 178.00 178.97 1b0t n ALA 51 N -2.51 2.65 -4.34 -0.75 0.00 -1.26 -4.89 120.51 109.40 1b0t n ALA 51 Ca -0.02 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 1b0t n ALA 51 Cb 0.22 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.10 1b0t n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b0t n GLN 52 N -0.96 -1.04 0.01 0.00 1.13 -0.79 -4.83 117.38 110.89 1b0t n GLN 52 Ca 0.21 0.12 0.11 0.00 -1.94 0.00 0.00 57.00 55.50 1b0t n GLN 52 Cb 0.17 -3.82 0.12 0.00 0.11 0.00 0.00 30.24 26.82 1b0t n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b0t n ALA 53 N -4.50 3.82 -2.58 -1.58 0.00 -1.26 -4.91 120.51 109.50 1b0t n ALA 53 Ca -0.25 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.39 1b0t n ALA 53 Cb 0.66 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 1b0t n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b0t s ILE 54 N -3.04 5.11 0.03 0.00 1.01 -1.26 -1.02 121.20 122.04 1b0t s ILE 54 Ca 0.09 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.52 1b0t s ILE 54 Cb 0.16 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1b0t s ILE 54 CO 0.76 0.54 -0.06 -0.36 0.00 0.00 0.00 174.94 175.82 1b0t s PHE 55 N -0.79 0.53 0.35 3.97 0.08 -0.64 -4.86 117.98 116.62 1b0t s PHE 55 Ca 0.22 -0.51 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 1b0t s PHE 55 Cb -0.16 -0.33 -0.09 0.00 -0.57 0.00 0.00 43.02 41.87 1b0t s PHE 55 CO 0.11 -0.12 1.17 0.45 -0.10 0.00 0.00 175.22 176.74 1b0t s SER 56 N -1.52 6.81 0.28 1.36 0.15 -1.26 0.38 113.70 119.89 1b0t s SER 56 Ca -0.12 2.38 -0.01 0.00 0.70 0.00 0.00 55.95 58.90 1b0t s SER 56 Cb -0.10 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 62.22 1b0t s SER 56 CO -0.00 -0.48 1.62 -0.08 1.20 0.00 0.00 173.24 175.50 1b0t h GLU 57 N 3.14 0.10 0.00 5.44 4.81 -1.70 0.35 114.58 126.72 1b0t h GLU 57 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1b0t h GLU 57 Cb 1.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1b0t h GLU 57 CO 0.64 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 178.59 1b0t n ASP 58 N -5.35 0.00 -0.11 1.04 5.75 -1.26 -2.39 116.55 114.22 1b0t n ASP 58 Ca 0.19 -0.29 0.01 0.00 -0.01 0.00 0.00 54.79 54.69 1b0t n ASP 58 Cb 0.64 -0.20 0.02 0.00 -1.03 0.00 0.00 41.12 40.55 1b0t n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1b0t n GLU 59 N -1.20 0.60 -1.69 0.11 1.02 0.11 -5.03 120.64 114.57 1b0t n GLU 59 Ca 0.14 -0.99 -0.44 0.00 -0.02 0.00 0.00 57.16 55.85 1b0t n GLU 59 Cb 0.16 -1.05 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1b0t n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1b0t n VAL 60 N -0.00 0.44 -1.63 2.62 0.31 -0.68 -4.83 118.33 114.55 1b0t n VAL 60 Ca 0.02 -0.11 -0.38 0.00 -0.01 0.00 0.00 64.34 63.86 1b0t n VAL 60 Cb 0.14 -1.69 0.05 0.00 -0.91 0.00 0.00 33.84 31.43 1b0t n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1b0t n PRO 61 N 2.93 0.94 -0.27 5.55 -0.02 -1.26 -4.86 135.00 138.02 1b0t n PRO 61 Ca 0.14 0.37 -0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1b0t n PRO 61 Cb 0.32 -2.22 0.12 0.00 -0.02 0.00 0.00 33.50 31.70 1b0t n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1b0t h GLU 62 N 0.52 0.80 0.00 -0.52 4.22 -2.02 -0.73 114.58 116.85 1b0t h GLU 62 Ca -0.49 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.90 1b0t h GLU 62 Cb 1.36 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1b0t h GLU 62 CO 0.51 0.53 0.00 -0.40 -2.18 0.00 0.00 179.01 177.47 1b0t n ASP 63 N -4.70 0.00 -0.05 1.04 5.75 -1.26 -2.72 116.55 114.61 1b0t n ASP 63 Ca 0.10 -1.04 0.06 0.00 -0.01 0.00 0.00 54.79 53.90 1b0t n ASP 63 Cb 0.17 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.35 1b0t n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1b0t n MET 64 N -0.86 1.89 0.33 0.11 2.81 -0.29 -4.81 117.12 116.30 1b0t n MET 64 Ca 0.14 -2.17 0.22 0.00 -1.81 0.00 0.00 57.70 54.08 1b0t n MET 64 Cb 0.06 -1.31 1.13 0.00 -0.71 0.00 0.00 33.22 32.40 1b0t n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1b0t h GLN 65 N 0.00 0.00 -0.17 0.03 1.08 -1.45 -0.66 115.11 113.94 1b0t h GLN 65 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1b0t h GLN 65 Cb 0.82 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 1b0t h GLN 65 CO 0.00 0.00 -0.19 0.93 -0.95 0.00 0.00 178.83 178.62 1b0t h GLU 66 N 0.00 0.29 0.00 1.46 3.07 -1.87 -3.03 114.58 114.50 1b0t h GLU 66 Ca -0.00 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1b0t h GLU 66 Cb 0.07 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1b0t h GLU 66 CO 0.00 0.48 -0.00 0.74 -1.40 0.00 0.00 179.01 178.83 1b0t h PHE 67 N 0.27 0.00 0.10 4.33 0.04 -1.46 -2.02 116.94 118.20 1b0t h PHE 67 Ca 0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1b0t h PHE 67 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1b0t h PHE 67 CO 0.01 0.00 -0.05 0.82 -0.60 0.00 0.00 178.31 178.49 1b0t h ILE 68 N 0.00 1.10 -0.53 -0.55 2.04 -1.72 -0.19 117.51 117.67 1b0t h ILE 68 Ca -0.00 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 1b0t h ILE 68 Cb 0.00 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1b0t h ILE 68 CO 0.00 0.20 -0.13 -0.61 0.00 0.00 0.00 178.15 177.61 1b0t h GLN 69 N -0.53 1.03 -0.63 2.37 4.15 -1.69 -2.91 115.11 116.90 1b0t h GLN 69 Ca -0.01 -0.39 0.05 0.00 0.77 0.00 0.00 58.65 59.07 1b0t h GLN 69 Cb 0.43 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 1b0t h GLN 69 CO 0.02 1.08 0.34 -0.07 -1.93 0.00 0.00 178.83 178.28 1b0t h LEU 70 N 0.90 0.51 -0.74 -2.39 3.38 -1.18 -0.10 115.31 115.70 1b0t h LEU 70 Ca 0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1b0t h LEU 70 Cb 0.71 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1b0t h LEU 70 CO 0.05 0.34 0.48 0.78 0.09 0.00 0.00 178.44 180.18 1b0t h ASN 71 N 0.64 0.81 -0.41 -0.43 -0.26 -0.95 -0.28 115.58 114.71 1b0t h ASN 71 Ca 0.28 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.98 1b0t h ASN 71 Cb 0.16 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 1b0t h ASN 71 CO -0.17 0.57 0.14 0.00 -1.06 0.00 0.00 177.43 176.91 1b0t h ALA 72 N 1.29 0.53 0.33 -0.83 0.00 -1.12 -1.46 119.26 118.00 1b0t h ALA 72 Ca 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1b0t h ALA 72 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1b0t h ALA 72 CO -0.08 0.17 -0.16 0.93 0.00 0.00 0.00 179.25 180.10 1b0t h GLU 73 N 0.51 -0.42 0.00 0.00 4.39 -0.89 -3.21 114.58 114.96 1b0t h GLU 73 Ca 0.13 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.79 1b0t h GLU 73 Cb 0.24 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1b0t h GLU 73 CO -0.01 -0.15 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.26 1b0t h LEU 74 N -0.67 0.00 -2.25 1.33 3.38 -1.04 -2.84 115.31 113.22 1b0t h LEU 74 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1b0t h LEU 74 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1b0t h LEU 74 CO 0.07 0.36 0.04 0.00 0.09 0.00 0.00 178.44 179.01 1b0t h ALA 75 N 1.64 1.78 0.00 1.53 0.00 -1.27 0.72 119.26 123.65 1b0t h ALA 75 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b0t h ALA 75 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1b0t h ALA 75 CO 0.05 -0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.16 1b0t h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.55 -3.37 114.58 114.05 1b0t h GLU 76 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1b0t h GLU 76 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1b0t h GLU 76 CO -0.00 0.00 -1.17 1.33 -1.16 0.00 0.00 179.01 178.01 1b0t n VAL 77 N -3.03 0.00 -3.13 3.13 0.24 0.12 -5.02 118.33 110.64 1b0t n VAL 77 Ca 0.03 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.34 61.97 1b0t n VAL 77 Cb 0.46 0.42 -0.02 0.00 -1.47 0.00 0.00 33.84 33.22 1b0t n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1b0t s TRP 78 N -2.26 3.49 0.34 6.34 0.51 -0.48 -5.09 118.94 121.80 1b0t s TRP 78 Ca -0.01 0.70 -0.27 0.00 -2.12 0.00 0.00 56.10 54.39 1b0t s TRP 78 Cb 0.02 -2.17 -0.09 0.00 -0.81 0.00 0.00 33.47 30.42 1b0t s TRP 78 CO 0.15 0.03 1.15 -1.25 -0.51 0.00 0.00 176.95 176.53 1b0t s PRO 79 N -3.94 4.34 0.16 4.98 0.04 -1.25 -4.69 135.00 134.64 1b0t s PRO 79 Ca 0.45 1.86 -0.32 0.00 0.04 0.00 0.00 61.00 63.02 1b0t s PRO 79 Cb -0.10 -2.93 -0.12 0.00 0.04 0.00 0.00 34.50 31.39 1b0t s PRO 79 CO 0.34 -0.07 1.72 -1.71 0.04 0.00 0.00 177.00 177.32 1b0t n ASN 80 N 0.61 3.72 -4.36 6.66 4.05 -1.26 -0.64 115.26 124.04 1b0t n ASN 80 Ca 0.02 1.04 -0.36 0.00 0.45 0.00 0.00 54.58 55.73 1b0t n ASN 80 Cb 0.45 -1.51 -0.13 0.00 1.23 0.00 0.00 39.78 39.82 1b0t n ASN 80 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1b0t s ILE 81 N 1.64 3.72 -0.36 -1.44 2.07 -0.72 -4.82 121.20 121.29 1b0t s ILE 81 Ca 0.79 -0.38 0.08 0.00 -1.41 0.00 0.00 60.65 59.72 1b0t s ILE 81 Cb -0.56 -2.72 -0.08 0.00 0.13 0.00 0.00 42.46 39.23 1b0t s ILE 81 CO 0.36 0.38 0.33 0.35 -1.91 0.00 0.00 174.94 174.45 1b0t n THR 82 N 4.84 0.00 -4.94 4.00 -2.24 -1.26 -4.53 114.28 110.15 1b0t n THR 82 Ca -0.17 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 1b0t n THR 82 Cb 0.51 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 1b0t n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1b0t s GLU 83 N -1.73 1.98 0.92 -0.78 2.02 -1.26 -4.82 118.70 115.04 1b0t s GLU 83 Ca 0.03 -1.01 -0.12 0.00 0.02 0.00 0.00 54.97 53.89 1b0t s GLU 83 Cb 0.06 -2.07 0.15 0.00 0.10 0.00 0.00 34.13 32.36 1b0t s GLU 83 CO 0.32 0.54 1.10 0.16 0.02 0.00 0.00 175.26 177.39 1b0t s ASP 84 N -1.10 3.29 0.15 -0.19 -4.77 -1.26 -5.01 116.67 107.78 1b0t s ASP 84 Ca 0.12 1.26 -0.01 0.00 -3.30 0.00 0.00 52.55 50.62 1b0t s ASP 84 Cb -0.10 -1.93 0.00 0.00 -1.09 0.00 0.00 42.92 39.81 1b0t s ASP 84 CO 0.02 -2.72 0.22 2.29 0.70 0.00 0.00 175.17 175.67 1b0t n LYS 85 N -3.92 0.31 -2.36 2.11 2.85 -1.26 -5.12 118.16 110.78 1b0t n LYS 85 Ca 0.06 -1.20 -0.37 0.00 -1.05 0.00 0.00 58.31 55.76 1b0t n LYS 85 Cb 0.57 1.16 -0.02 0.00 -0.65 0.00 0.00 35.03 36.09 1b0t n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1b0t s ASP 86 N -1.93 6.35 0.99 -5.58 1.01 -1.26 -4.78 116.67 111.47 1b0t s ASP 86 Ca 0.12 2.21 -0.12 0.00 0.71 0.00 0.00 52.55 55.47 1b0t s ASP 86 Cb -0.00 -2.60 0.12 0.00 1.01 0.00 0.00 42.92 41.45 1b0t s ASP 86 CO 0.09 -0.78 0.73 -2.65 0.21 0.00 0.00 175.17 172.76 1b0t n PRO 87 N -0.39 -0.84 -1.76 8.23 -0.02 -1.26 -4.92 135.00 134.04 1b0t n PRO 87 Ca 0.07 -0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.00 1b0t n PRO 87 Cb 0.49 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1b0t n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1b0t s LEU 88 N -4.10 3.47 0.28 2.45 1.43 -1.01 -4.88 118.68 116.33 1b0t s LEU 88 Ca 0.62 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1b0t s LEU 88 Cb -0.21 -4.58 0.57 0.00 0.03 0.00 0.00 46.19 41.99 1b0t s LEU 88 CO 0.63 -1.81 1.82 -0.65 0.23 0.00 0.00 176.35 176.58 1b0t h PRO 89 N 0.26 0.92 -0.48 1.29 0.11 -1.92 -1.31 132.00 130.87 1b0t h PRO 89 Ca -0.48 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.34 1b0t h PRO 89 Cb 1.28 -0.21 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 1b0t h PRO 89 CO 0.53 0.61 0.08 -0.25 -0.21 0.00 0.00 178.00 178.76 1b0t n ASP 90 N -4.65 2.98 -0.35 -2.05 9.92 -1.26 -4.82 116.55 116.31 1b0t n ASP 90 Ca 0.19 -3.64 0.05 0.00 -0.53 0.00 0.00 54.79 50.86 1b0t n ASP 90 Cb 0.38 -0.67 0.21 0.00 -0.64 0.00 0.00 41.12 40.40 1b0t n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b0t h ALA 91 N 1.17 1.47 0.00 2.24 0.00 -1.40 -1.39 119.26 121.34 1b0t h ALA 91 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1b0t h ALA 91 Cb 1.90 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1b0t h ALA 91 CO 0.52 0.35 -0.03 -0.85 0.00 0.00 0.00 179.25 179.24 1b0t n GLU 92 N -4.53 0.06 -0.06 0.00 -0.00 -1.26 -1.55 120.64 113.30 1b0t n GLU 92 Ca 0.16 0.05 -0.08 0.00 -0.00 0.00 0.00 57.16 57.28 1b0t n GLU 92 Cb 0.25 -1.57 0.08 0.00 -0.00 0.00 0.00 31.44 30.20 1b0t n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1b0t h ASP 93 N 0.00 0.74 0.69 -1.84 3.32 -1.64 -3.17 116.42 114.52 1b0t h ASP 93 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1b0t h ASP 93 Cb 0.55 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1b0t h ASP 93 CO 0.00 1.00 -0.46 0.79 -1.72 0.00 0.00 179.24 178.86 1b0t n TRP 94 N -4.07 0.18 -1.80 4.55 7.02 -1.02 -4.77 117.44 117.52 1b0t n TRP 94 Ca -0.01 0.05 -0.43 0.00 -1.02 0.00 0.00 57.50 56.09 1b0t n TRP 94 Cb 0.48 -0.42 -0.03 0.00 -2.42 0.00 0.00 31.31 28.93 1b0t n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1b0t s ASP 95 N -3.38 5.75 0.00 -0.99 -1.08 -0.59 -2.03 116.67 114.34 1b0t s ASP 95 Ca 0.10 1.68 0.00 0.00 -0.52 0.00 0.00 52.55 53.81 1b0t s ASP 95 Cb 0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1b0t s ASP 95 CO 0.68 -1.76 0.00 0.61 0.52 0.00 0.00 175.17 175.22 1b0t n GLY 96 N 5.48 0.51 3.75 2.66 0.00 -1.26 -5.01 105.19 111.32 1b0t n GLY 96 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1b0t n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b0t s VAL 97 N -2.12 3.55 0.36 1.61 1.01 -0.86 -5.02 120.40 118.93 1b0t s VAL 97 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1b0t s VAL 97 Cb 0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1b0t s VAL 97 CO 0.00 0.34 0.56 -1.59 0.00 0.00 0.00 175.10 174.41 1b0t s LYS 98 N -1.23 3.39 -0.33 2.72 -2.85 -1.26 -4.49 119.74 115.69 1b0t s LYS 98 Ca 0.45 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1b0t s LYS 98 Cb -0.31 -2.66 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 1b0t s LYS 98 CO 0.40 0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.34 1b0t n GLY 99 N -1.82 0.26 0.00 0.59 0.00 -1.26 -4.94 105.19 98.02 1b0t n GLY 99 Ca -0.04 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1b0t n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b0t n LYS 100 N -1.51 0.46 0.26 1.61 5.02 -1.26 -3.38 118.16 119.35 1b0t n LYS 100 Ca -0.04 0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1b0t n LYS 100 Cb 0.50 -1.50 0.68 0.00 -0.02 0.00 0.00 35.03 34.68 1b0t n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1b0t h LEU 101 N 0.00 0.00 -0.25 -0.35 5.85 -1.92 0.73 115.31 119.37 1b0t h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1b0t h LEU 101 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1b0t h LEU 101 CO 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 1b0t n GLN 102 N -4.04 0.05 -0.17 1.25 10.64 -1.22 -1.45 117.38 122.43 1b0t n GLN 102 Ca -0.02 0.37 0.09 0.00 -1.83 0.00 0.00 57.00 55.60 1b0t n GLN 102 Cb 0.19 -1.61 0.18 0.00 -0.86 0.00 0.00 30.24 28.14 1b0t n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1b0t n HIS 103 N -1.70 0.46 -2.05 2.61 8.25 0.24 -5.02 115.22 118.00 1b0t n HIS 103 Ca 0.02 -0.31 -0.40 0.00 -0.26 0.00 0.00 57.72 56.77 1b0t n HIS 103 Cb 0.13 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1b0t n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1b0t s LEU 104 N -1.18 4.37 -0.07 2.41 2.96 -0.53 -4.95 118.68 121.69 1b0t s LEU 104 Ca 0.31 2.74 0.02 0.00 -0.22 0.00 0.00 54.13 56.98 1b0t s LEU 104 Cb 0.17 -3.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1b0t s LEU 104 CO 0.24 -0.65 -0.13 -1.61 -1.32 0.00 0.00 176.35 172.88 1b0t s GLU 105 N -1.93 2.75 0.00 1.98 2.02 -1.26 -5.10 118.70 117.16 1b0t s GLU 105 Ca 0.51 -0.68 0.29 0.00 0.02 0.00 0.00 54.97 55.12 1b0t s GLU 105 Cb -0.40 -2.46 1.36 0.00 0.10 0.00 0.00 34.13 32.73 1b0t s GLU 105 CO 0.54 0.52 1.92 -2.13 0.02 0.00 0.00 175.26 176.13