#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 n SER 2 N 0.00 -2.81 -3.63 1.61 7.64 -1.26 -5.03 113.62 110.14 2d85 n SER 2 Ca 0.00 0.22 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 2d85 n SER 2 Cb 0.00 -1.07 -0.07 0.00 -1.01 0.00 0.00 64.21 62.06 2d85 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d85 s SER 3 N -1.79 -0.82 0.00 6.43 0.01 -1.26 -5.11 113.70 111.17 2d85 s SER 3 Ca 0.53 1.45 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2d85 s SER 3 Cb -0.18 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.47 2d85 s SER 3 CO 0.70 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2d85 n GLY 4 N 3.34 -0.72 3.77 3.44 0.00 -1.26 -5.13 105.19 108.64 2d85 n GLY 4 Ca -0.16 0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2d85 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d85 s SER 5 N 1.66 6.10 0.20 1.61 0.15 -1.26 -5.04 113.70 117.11 2d85 s SER 5 Ca 0.00 2.49 0.04 0.00 0.70 0.00 0.00 55.95 59.18 2d85 s SER 5 Cb 0.00 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 2d85 s SER 5 CO 0.00 -0.98 -0.06 -0.94 1.20 0.00 0.00 173.24 172.46 2d85 s SER 6 N -1.09 1.93 0.00 5.45 1.04 -1.26 -4.89 113.70 114.88 2d85 s SER 6 Ca 0.62 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2d85 s SER 6 Cb -0.33 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2d85 s SER 6 CO 0.41 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2d85 n GLY 7 N -0.34 3.57 0.26 7.32 0.00 -1.26 -4.56 105.19 110.18 2d85 n GLY 7 Ca -0.07 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 2d85 n GLY 7 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2d85 h ASN 8 N 0.00 0.95 1.49 1.61 -1.24 -2.00 -2.44 115.58 113.95 2d85 h ASN 8 Ca 0.00 -0.44 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2d85 h ASN 8 Cb 0.00 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.79 2d85 h ASN 8 CO 0.00 1.19 -0.37 -2.24 -1.29 0.00 0.00 177.43 174.72 2d85 h ASP 9 N 0.71 0.00 0.95 1.15 3.04 -2.02 -3.28 116.42 116.98 2d85 h ASP 9 Ca 0.07 -0.03 -0.16 0.00 -3.24 0.00 0.00 57.03 53.68 2d85 h ASP 9 Cb 0.89 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.15 2d85 h ASP 9 CO 0.08 0.01 -0.75 0.44 -2.04 0.00 0.00 179.24 176.99 2d85 h ASP 10 N 0.00 0.00 1.34 4.15 3.32 -1.77 -3.09 116.42 120.37 2d85 h ASP 10 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2d85 h ASP 10 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2d85 h ASP 10 CO 0.00 0.75 0.00 -0.29 -1.72 0.00 0.00 179.24 177.98 2d85 h ILE 11 N 0.00 0.00 -1.09 0.35 2.10 -1.49 -3.27 117.51 114.11 2d85 h ILE 11 Ca -0.01 -0.60 0.38 0.00 1.08 0.00 0.00 64.86 65.71 2d85 h ILE 11 Cb 1.42 1.56 -0.15 0.00 -1.09 0.00 0.00 36.82 38.56 2d85 h ILE 11 CO 0.10 0.00 0.65 0.40 -1.08 0.00 0.00 178.15 178.21 2d85 h ILE 12 N 0.00 0.17 0.05 2.19 2.04 -1.66 0.27 117.51 120.57 2d85 h ILE 12 Ca 0.00 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 2d85 h ILE 12 Cb 0.67 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2d85 h ILE 12 CO 0.00 0.03 -0.41 0.58 0.00 0.00 0.00 178.15 178.35 2d85 h VAL 13 N 0.16 1.59 -0.18 1.67 2.07 -1.80 -3.26 116.25 116.51 2d85 h VAL 13 Ca 0.79 -2.28 0.05 0.00 0.82 0.00 0.00 66.70 66.08 2d85 h VAL 13 Cb 2.10 3.08 -0.05 0.00 -1.52 0.00 0.00 31.29 34.90 2d85 h VAL 13 CO -0.59 0.63 -0.16 -1.13 0.02 0.00 0.00 177.57 176.33 2d85 h ASN 14 N -0.56 -0.51 -0.61 0.57 -0.73 -0.80 -0.52 115.58 112.42 2d85 h ASN 14 Ca -0.07 0.10 0.13 0.00 1.87 0.00 0.00 56.30 58.33 2d85 h ASN 14 Cb 1.26 0.25 -0.11 0.00 0.27 0.00 0.00 38.32 39.99 2d85 h ASN 14 CO 0.08 -0.20 -0.06 -0.25 -0.37 0.00 0.00 177.43 176.63 2d85 h TRP 15 N -0.18 -0.15 0.44 0.67 7.01 -0.86 0.17 115.95 123.06 2d85 h TRP 15 Ca 0.11 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 2d85 h TRP 15 Cb 0.34 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 2d85 h TRP 15 CO -0.30 -0.20 -0.21 0.28 -2.79 0.00 0.00 178.44 175.21 2d85 h VAL 16 N 0.07 0.56 -0.41 2.65 2.07 -1.43 -0.59 116.25 119.17 2d85 h VAL 16 Ca 0.31 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.75 2d85 h VAL 16 Cb 0.50 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2d85 h VAL 16 CO -0.57 0.03 -0.14 0.78 0.02 0.00 0.00 177.57 177.70 2d85 h ASN 17 N -0.69 -0.49 0.52 0.57 2.35 -0.41 -1.97 115.58 115.45 2d85 h ASN 17 Ca -0.06 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2d85 h ASN 17 Cb 0.51 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2d85 h ASN 17 CO 0.10 -0.17 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.10 2d85 h GLU 18 N -0.05 -0.70 -0.87 0.81 4.39 -0.63 0.34 114.58 117.87 2d85 h GLU 18 Ca 0.20 0.05 0.36 0.00 0.34 0.00 0.00 59.36 60.31 2d85 h GLU 18 Cb 0.36 0.16 -0.16 0.00 -0.10 0.00 0.00 28.75 29.01 2d85 h GLU 18 CO -0.45 -0.47 0.44 2.41 -1.16 0.00 0.00 179.01 179.79 2d85 n THR 19 N -4.05 -0.37 0.02 1.13 -1.04 -0.24 0.18 114.28 109.92 2d85 n THR 19 Ca -0.09 1.78 -0.19 0.00 -2.04 0.00 0.00 64.05 63.51 2d85 n THR 19 Cb 0.29 -2.87 -0.10 0.00 -1.82 0.00 0.00 70.33 65.83 2d85 n THR 19 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2d85 h LEU 20 N 0.00 0.77 0.10 -4.42 3.38 -1.07 -3.00 115.31 111.08 2d85 h LEU 20 Ca 0.73 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2d85 h LEU 20 Cb 1.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2d85 h LEU 20 CO -0.68 1.40 -0.05 -0.09 0.09 0.00 0.00 178.44 179.11 2d85 h ARG 21 N 0.22 -0.13 0.00 1.13 2.43 0.41 0.24 114.38 118.68 2d85 h ARG 21 Ca -0.10 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2d85 h ARG 21 Cb 1.51 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2d85 h ARG 21 CO 0.17 -0.04 -0.00 1.05 -1.51 0.00 0.00 179.97 179.64 2d85 h GLU 22 N -0.20 0.00 -0.00 0.20 4.11 -0.74 0.71 114.58 118.66 2d85 h GLU 22 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2d85 h GLU 22 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2d85 h GLU 22 CO 0.02 0.00 -0.78 0.00 0.07 0.00 0.00 179.01 178.33 2d85 n ALA 23 N -2.20 4.23 -2.85 1.06 0.00 -0.78 -4.99 120.51 114.98 2d85 n ALA 23 Ca -0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2d85 n ALA 23 Cb 0.08 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.68 2d85 n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d85 n GLU 24 N -1.41 -3.74 -3.62 0.00 1.02 0.65 -5.03 120.64 108.51 2d85 n GLU 24 Ca 0.05 0.53 -0.29 0.00 -0.02 0.00 0.00 57.16 57.44 2d85 n GLU 24 Cb 0.34 -4.55 -0.04 0.00 -0.02 0.00 0.00 31.44 27.17 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2d85 s LYS 25 N -4.70 3.57 0.00 3.49 3.01 -0.04 -4.99 119.74 120.07 2d85 s LYS 25 Ca 0.04 -0.21 0.18 0.00 -1.01 0.00 0.00 55.97 54.97 2d85 s LYS 25 Cb -0.01 -2.81 0.50 0.00 -1.01 0.00 0.00 37.83 34.51 2d85 s LYS 25 CO 0.46 0.38 1.41 0.45 0.51 0.00 0.00 175.35 178.57 2d85 n SER 26 N -0.51 2.91 -4.51 2.83 2.88 -1.26 -4.79 113.62 111.17 2d85 n SER 26 Ca -0.03 -1.98 -0.28 0.00 -1.33 0.00 0.00 58.87 55.24 2d85 n SER 26 Cb 0.53 -0.35 -0.11 0.00 -0.75 0.00 0.00 64.21 63.54 2d85 n SER 26 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d85 s SER 27 N -1.07 3.96 0.02 -3.46 0.01 -1.26 -5.07 113.70 106.84 2d85 s SER 27 Ca 0.37 -0.61 -0.18 0.00 1.31 0.00 0.00 55.95 56.84 2d85 s SER 27 Cb 0.19 -0.57 0.06 0.00 0.21 0.00 0.00 66.02 65.91 2d85 s SER 27 CO 0.26 0.14 0.81 -1.54 0.41 0.00 0.00 173.24 173.32 2d85 n SER 28 N 0.44 -0.87 -4.05 2.44 3.41 -1.26 -4.87 113.62 108.86 2d85 n SER 28 Ca -0.13 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.10 2d85 n SER 28 Cb 0.54 1.37 -0.11 0.00 -0.26 0.00 0.00 64.21 65.75 2d85 n SER 28 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2d85 s ILE 29 N -2.10 0.42 -0.18 -1.33 -4.36 -1.26 -4.45 121.20 107.94 2d85 s ILE 29 Ca 0.19 -1.15 0.08 0.00 -0.26 0.00 0.00 60.65 59.51 2d85 s ILE 29 Cb -0.01 -0.66 -0.22 0.00 1.25 0.00 0.00 42.46 42.82 2d85 s ILE 29 CO 0.00 -0.49 0.14 -0.24 0.24 0.00 0.00 174.94 174.59 2d85 n SER 30 N 1.30 1.10 -3.65 4.36 2.88 -1.26 -4.91 113.62 113.44 2d85 n SER 30 Ca -0.22 0.07 -0.04 0.00 -1.33 0.00 0.00 58.87 57.35 2d85 n SER 30 Cb 0.56 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 64.09 2d85 n SER 30 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d85 s SER 31 N -6.16 -0.14 0.57 -3.46 0.15 -1.26 -5.00 113.70 98.40 2d85 s SER 31 Ca -0.19 -0.50 0.31 0.00 0.70 0.00 0.00 55.95 56.27 2d85 s SER 31 Cb 0.07 0.52 1.44 0.00 -1.71 0.00 0.00 66.02 66.34 2d85 s SER 31 CO 0.75 -0.97 1.82 -0.26 1.20 0.00 0.00 173.24 175.78 2d85 h PHE 32 N 2.00 0.00 -1.48 3.44 -1.00 -2.01 0.12 116.94 118.01 2d85 h PHE 32 Ca -0.25 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.86 2d85 h PHE 32 Cb 1.23 0.00 -0.33 0.00 3.61 0.00 0.00 35.95 40.46 2d85 h PHE 32 CO 0.60 0.00 0.33 1.63 -1.61 0.00 0.00 178.31 179.26 2d85 n LYS 33 N -3.86 3.02 -2.76 1.51 5.02 -1.26 -4.74 118.16 115.09 2d85 n LYS 33 Ca 0.15 -3.80 -0.40 0.00 -2.02 0.00 0.00 58.31 52.25 2d85 n LYS 33 Cb 0.92 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 2d85 n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2d85 s ASP 34 N -2.19 7.64 0.11 4.39 -1.08 0.41 -4.98 116.67 120.97 2d85 s ASP 34 Ca 0.54 1.94 -0.14 0.00 -0.52 0.00 0.00 52.55 54.37 2d85 s ASP 34 Cb 0.44 -2.61 -0.08 0.00 -1.46 0.00 0.00 42.92 39.22 2d85 s ASP 34 CO -0.21 0.16 1.43 1.55 0.52 0.00 0.00 175.17 178.62 2d85 h PRO 35 N 4.18 0.75 -0.92 4.34 0.13 -1.95 -3.05 132.00 135.47 2d85 h PRO 35 Ca -0.45 -0.39 0.27 0.00 -0.87 0.00 0.00 66.00 64.55 2d85 h PRO 35 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2d85 h PRO 35 CO 0.68 1.02 0.68 0.87 -0.23 0.00 0.00 178.00 181.01 2d85 h LYS 36 N 0.51 0.00 -0.20 0.86 1.79 -1.93 0.37 116.57 117.96 2d85 h LYS 36 Ca 0.05 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.58 2d85 h LYS 36 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2d85 h LYS 36 CO 0.08 0.00 0.14 0.82 -1.08 0.00 0.00 179.45 179.41 2d85 h ILE 37 N 0.00 0.90 -0.57 1.86 2.04 -1.85 -1.00 117.51 118.88 2d85 h ILE 37 Ca 0.44 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.35 2d85 h ILE 37 Cb 1.79 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 2d85 h ILE 37 CO -0.00 0.00 0.38 0.77 0.00 0.00 0.00 178.15 179.30 2d85 h SER 38 N 0.00 0.50 0.48 1.72 4.64 -0.44 0.30 113.55 120.75 2d85 h SER 38 Ca 0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2d85 h SER 38 Cb 0.38 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2d85 h SER 38 CO -0.00 0.33 -0.39 0.35 -0.87 0.00 0.00 176.83 176.25 2d85 n THR 39 N -4.47 0.00 -1.85 2.95 -2.24 -0.40 -4.52 114.28 103.74 2d85 n THR 39 Ca 0.08 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 2d85 n THR 39 Cb 0.21 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 2d85 n THR 39 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2d85 n SER 40 N -1.30 -4.20 0.10 3.42 7.64 0.09 -4.86 113.62 114.52 2d85 n SER 40 Ca 0.07 0.13 -0.12 0.00 1.01 0.00 0.00 58.87 59.96 2d85 n SER 40 Cb 0.33 -3.13 -0.08 0.00 -1.01 0.00 0.00 64.21 60.32 2d85 n SER 40 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2d85 h LEU 41 N 0.00 -0.25 -1.34 -3.43 3.38 -1.80 0.31 115.31 112.18 2d85 h LEU 41 Ca -0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2d85 h LEU 41 Cb 1.04 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2d85 h LEU 41 CO 0.36 0.18 -0.19 1.55 0.09 0.00 0.00 178.44 180.43 2d85 h PRO 42 N -0.73 0.00 0.09 1.13 0.13 -1.79 -0.76 132.00 130.07 2d85 h PRO 42 Ca -0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.81 2d85 h PRO 42 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2d85 h PRO 42 CO 0.05 0.19 -1.46 0.28 -0.23 0.00 0.00 178.00 176.83 2d85 h VAL 43 N 0.00 1.22 0.14 1.56 2.07 -1.91 -2.70 116.25 116.63 2d85 h VAL 43 Ca -0.00 -2.88 -0.26 0.00 0.82 0.00 0.00 66.70 64.38 2d85 h VAL 43 Cb 0.63 2.76 0.03 0.00 -1.52 0.00 0.00 31.29 33.19 2d85 h VAL 43 CO 0.02 0.82 -1.09 -0.07 0.02 0.00 0.00 177.57 177.27 2d85 h LEU 44 N 0.05 0.72 -0.53 2.57 3.38 -0.80 -3.19 115.31 117.51 2d85 h LEU 44 Ca -0.21 -0.87 -0.14 0.00 0.09 0.00 0.00 57.88 56.75 2d85 h LEU 44 Cb 1.98 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 2d85 h LEU 44 CO 0.15 1.52 -0.34 0.44 0.09 0.00 0.00 178.44 180.31 2d85 h ASP 45 N 0.03 0.87 -0.94 -0.43 5.19 -1.29 -2.83 116.42 117.02 2d85 h ASP 45 Ca -0.17 -0.37 0.06 0.00 -0.62 0.00 0.00 57.03 55.92 2d85 h ASP 45 Cb 1.81 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 41.02 2d85 h ASP 45 CO 0.21 1.12 0.61 0.25 -3.12 0.00 0.00 179.24 178.31 2d85 h LEU 46 N 0.69 0.98 0.58 1.55 5.85 -1.57 -2.46 115.31 120.92 2d85 h LEU 46 Ca 0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2d85 h LEU 46 Cb 0.90 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.72 2d85 h LEU 46 CO 0.08 0.64 -0.28 0.40 -0.34 0.00 0.00 178.44 178.94 2d85 h ILE 47 N 1.12 0.13 -0.95 4.05 2.04 -1.52 -3.21 117.51 119.17 2d85 h ILE 47 Ca 0.40 -0.42 0.24 0.00 1.00 0.00 0.00 64.86 66.08 2d85 h ILE 47 Cb 0.13 0.18 -0.17 0.00 -0.74 0.00 0.00 36.82 36.22 2d85 h ILE 47 CO -0.14 0.02 -0.03 -0.78 0.00 0.00 0.00 178.15 177.22 2d85 h ASP 48 N -1.15 -0.54 -0.97 1.72 3.58 -1.36 1.02 116.42 118.71 2d85 h ASP 48 Ca -0.08 0.27 0.19 0.00 0.42 0.00 0.00 57.03 57.83 2d85 h ASP 48 Cb 0.63 0.49 -0.09 0.00 1.72 0.00 0.00 39.33 42.08 2d85 h ASP 48 CO 0.13 -0.32 0.61 0.00 -2.88 0.00 0.00 179.24 176.79 2d85 h ALA 49 N 1.93 1.85 0.58 -0.78 0.00 -1.45 -2.44 119.26 118.95 2d85 h ALA 49 Ca 0.54 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 2d85 h ALA 49 Cb 1.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2d85 h ALA 49 CO -0.89 -0.18 -0.28 0.82 0.00 0.00 0.00 179.25 178.72 2d85 h ILE 50 N 0.67 0.17 -3.80 0.00 1.08 0.11 -3.41 117.51 112.32 2d85 h ILE 50 Ca 0.54 -0.41 -0.67 0.00 -0.39 0.00 0.00 64.86 63.93 2d85 h ILE 50 Cb 0.96 0.24 -0.36 0.00 -3.07 0.00 0.00 36.82 34.59 2d85 h ILE 50 CO -0.30 0.03 -0.75 -1.58 -0.69 0.00 0.00 178.15 174.86 2d85 s GLN 51 N -4.51 2.17 -0.18 2.37 -0.44 -0.93 -5.08 119.66 113.07 2d85 s GLN 51 Ca -0.13 -1.43 -0.29 0.00 -2.50 0.00 0.00 55.36 51.01 2d85 s GLN 51 Cb 0.02 -3.05 -0.03 0.00 -1.64 0.00 0.00 33.01 28.30 2d85 s GLN 51 CO 0.43 -0.66 1.58 -1.25 0.50 0.00 0.00 175.29 175.88 2d85 s PRO 52 N 1.12 3.94 0.00 1.67 0.04 -1.18 -3.60 135.00 136.98 2d85 s PRO 52 Ca -0.04 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2d85 s PRO 52 Cb -0.20 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2d85 s PRO 52 CO -0.04 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.29 2d85 n GLY 53 N 4.40 1.30 1.20 0.56 0.00 -1.26 -5.05 105.19 106.34 2d85 n GLY 53 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2d85 n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d85 n SER 54 N 0.00 0.91 -4.81 1.61 3.41 -1.24 -5.08 113.62 108.42 2d85 n SER 54 Ca 0.00 0.20 -0.32 0.00 -0.26 0.00 0.00 58.87 58.49 2d85 n SER 54 Cb 0.00 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 63.75 2d85 n SER 54 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2d85 s ILE 55 N -2.00 3.93 -0.26 -1.33 -1.09 -1.26 -5.06 121.20 114.12 2d85 s ILE 55 Ca 0.00 0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 59.25 2d85 s ILE 55 Cb 0.00 -3.42 0.14 0.00 -1.58 0.00 0.00 42.46 37.61 2d85 s ILE 55 CO 0.00 -0.62 0.39 0.21 -1.23 0.00 0.00 174.94 173.69 2d85 s ASN 56 N -3.08 0.35 0.49 3.58 2.47 -1.26 -5.01 114.94 112.48 2d85 s ASN 56 Ca 0.62 -0.05 0.18 0.00 0.42 0.00 0.00 52.86 54.03 2d85 s ASN 56 Cb -0.15 1.09 1.22 0.00 -1.45 0.00 0.00 41.25 41.96 2d85 s ASN 56 CO 0.41 -0.32 2.05 1.88 -3.72 0.00 0.00 177.10 177.40 2d85 h TYR 57 N 8.18 0.15 -1.01 0.43 0.05 -1.97 -1.55 116.97 121.24 2d85 h TYR 57 Ca -0.15 0.00 0.24 0.00 0.05 0.00 0.00 58.73 58.87 2d85 h TYR 57 Cb 1.14 -0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.72 2d85 h TYR 57 CO 0.19 0.08 0.63 0.22 -1.05 0.00 0.00 178.16 178.23 2d85 h ASP 58 N 0.15 0.58 0.44 3.88 3.58 -2.00 -0.35 116.42 122.70 2d85 h ASP 58 Ca 0.16 0.10 -0.30 0.00 0.42 0.00 0.00 57.03 57.40 2d85 h ASP 58 Cb 0.44 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2d85 h ASP 58 CO -0.02 0.13 -1.68 -0.07 -2.88 0.00 0.00 179.24 174.72 2d85 h LEU 59 N 0.52 0.17-10.30 2.28 3.38 -1.73 -3.47 115.31 106.16 2d85 h LEU 59 Ca 0.60 -0.32 -0.45 0.00 0.09 0.00 0.00 57.88 57.81 2d85 h LEU 59 Cb 1.28 -0.05 0.17 0.00 0.09 0.00 0.00 40.66 42.15 2d85 h LEU 59 CO -0.36 1.28 0.14 -0.76 0.09 0.00 0.00 178.44 178.83 2d85 s LEU 60 N -6.52 1.38 -0.07 1.67 1.43 -0.14 -5.03 118.68 111.40 2d85 s LEU 60 Ca -0.09 1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 2d85 s LEU 60 Cb 0.08 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2d85 s LEU 60 CO 0.82 -3.44 -0.22 0.29 0.23 0.00 0.00 176.35 174.03 2d85 n LYS 61 N -4.39 0.33 -2.73 1.70 4.01 -1.26 -4.93 118.16 110.89 2d85 n LYS 61 Ca 0.05 0.13 -0.09 0.00 -0.51 0.00 0.00 58.31 57.89 2d85 n LYS 61 Cb 0.56 -1.08 -0.01 0.00 -0.51 0.00 0.00 35.03 34.00 2d85 n LYS 61 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2d85 n THR 62 N -4.09 -0.24 -3.68 -0.18 5.66 -1.26 -4.88 114.28 105.61 2d85 n THR 62 Ca -0.09 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.70 2d85 n THR 62 Cb 0.32 -0.65 -0.18 0.00 -1.55 0.00 0.00 70.33 68.27 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2d85 s GLU 63 N -5.28 0.02 -1.31 1.09 -1.05 -1.26 -4.88 118.70 106.03 2d85 s GLU 63 Ca 0.11 0.30 -0.13 0.00 -0.15 0.00 0.00 54.97 55.09 2d85 s GLU 63 Cb -0.06 -0.71 0.13 0.00 -0.44 0.00 0.00 34.13 33.05 2d85 s GLU 63 CO 0.13 -0.36 0.32 0.27 0.95 0.00 0.00 175.26 176.57 2d85 n ASN 64 N 5.28 -0.80 -4.46 0.83 0.23 -1.26 -4.79 115.26 110.28 2d85 n ASN 64 Ca -0.04 -0.91 -0.34 0.00 -0.53 0.00 0.00 54.58 52.76 2d85 n ASN 64 Cb 0.50 -1.16 0.11 0.00 -2.08 0.00 0.00 39.78 37.15 2d85 n ASN 64 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2d85 n LEU 65 N -3.22 0.62 -4.12 -4.53 4.77 -1.26 -5.03 117.00 104.23 2d85 n LEU 65 Ca 0.00 0.43 -0.11 0.00 -0.03 0.00 0.00 56.01 56.31 2d85 n LEU 65 Cb 0.37 -1.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.14 2d85 n LEU 65 CO 0.68 -3.26 -0.07 0.54 -1.33 0.00 0.00 177.39 173.95 2d85 s ASN 66 N -1.87 0.10 0.43 -1.43 2.20 -1.26 -4.83 114.94 108.28 2d85 s ASN 66 Ca 0.61 -1.22 0.36 0.00 -0.94 0.00 0.00 52.86 51.67 2d85 s ASN 66 Cb -0.26 0.47 1.41 0.00 -2.00 0.00 0.00 41.25 40.86 2d85 s ASN 66 CO 0.63 -0.97 1.37 -0.67 -2.94 0.00 0.00 177.10 174.52 2d85 n ASP 67 N -0.36 0.10 0.00 3.54 2.03 -1.26 0.95 116.55 121.55 2d85 n ASP 67 Ca 0.01 1.06 -0.00 0.00 0.52 0.00 0.00 54.79 56.38 2d85 n ASP 67 Cb 0.64 -0.53 -0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2d85 n ASP 67 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2d85 h ASP 68 N 0.00 -0.02 0.28 1.67 3.32 -2.00 -3.29 116.42 116.38 2d85 h ASP 68 Ca 0.80 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.85 2d85 h ASP 68 Cb 2.87 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 42.40 2d85 h ASP 68 CO -0.23 0.05 -0.33 -0.33 -1.72 0.00 0.00 179.24 176.68 2d85 h GLU 69 N -0.14 -0.63 -0.80 3.56 4.39 -1.50 -2.37 114.58 117.10 2d85 h GLU 69 Ca -0.00 0.04 0.25 0.00 0.34 0.00 0.00 59.36 59.99 2d85 h GLU 69 Cb 0.01 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 28.66 2d85 h GLU 69 CO 0.00 -0.42 0.14 1.63 -1.16 0.00 0.00 179.01 179.20 2d85 n LYS 70 N -5.44 -0.06 0.42 2.33 5.02 0.27 0.27 118.16 120.98 2d85 n LYS 70 Ca -0.09 1.17 -0.19 0.00 -2.02 0.00 0.00 58.31 57.17 2d85 n LYS 70 Cb 0.34 -1.92 -0.10 0.00 -0.02 0.00 0.00 35.03 33.34 2d85 n LYS 70 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2d85 h LEU 71 N 0.00 -1.14 -0.93 -0.35 5.85 -1.50 -2.01 115.31 115.24 2d85 h LEU 71 Ca 0.54 0.06 0.25 0.00 0.84 0.00 0.00 57.88 59.57 2d85 h LEU 71 Cb 1.23 0.32 -0.17 0.00 0.37 0.00 0.00 40.66 42.41 2d85 h LEU 71 CO -0.71 -0.72 0.04 0.78 -0.34 0.00 0.00 178.44 177.49 2d85 h ASN 72 N -1.15 -0.42 -0.17 1.25 2.35 -0.13 1.42 115.58 118.72 2d85 h ASN 72 Ca -0.10 0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 2d85 h ASN 72 Cb 0.92 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 2d85 h ASN 72 CO 0.12 -0.30 -0.01 0.78 -1.65 0.00 0.00 177.43 176.37 2d85 h ASN 73 N 0.05 0.40 -0.19 5.81 4.21 -1.17 -1.67 115.58 123.01 2d85 h ASN 73 Ca 0.56 -0.07 -0.18 0.00 1.21 0.00 0.00 56.30 57.81 2d85 h ASN 73 Cb 1.11 -0.10 0.01 0.00 -1.12 0.00 0.00 38.32 38.21 2d85 h ASN 73 CO -0.85 0.47 -0.60 0.00 -1.29 0.00 0.00 177.43 175.16 2d85 h ALA 74 N 1.58 0.32 -0.17 -0.83 0.00 0.25 -1.69 119.26 118.73 2d85 h ALA 74 Ca 0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2d85 h ALA 74 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2d85 h ALA 74 CO 0.01 0.57 -0.21 0.87 0.00 0.00 0.00 179.25 180.49 2d85 h LYS 75 N 0.45 0.29 0.03 0.00 1.57 -0.43 -2.85 116.57 115.63 2d85 h LYS 75 Ca -0.02 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2d85 h LYS 75 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2d85 h LYS 75 CO 0.13 0.49 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.56 2d85 h TYR 76 N 0.26 -0.04 -0.46 -1.35 3.20 -1.28 -3.03 116.97 114.27 2d85 h TYR 76 Ca 0.05 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2d85 h TYR 76 Cb 0.52 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.71 2d85 h TYR 76 CO 0.01 0.63 -0.46 0.00 -1.64 0.00 0.00 178.16 176.70 2d85 h ALA 77 N 0.03 -0.48 -1.00 1.82 0.00 -1.27 0.13 119.26 118.49 2d85 h ALA 77 Ca -0.00 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2d85 h ALA 77 Cb 0.69 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 2d85 h ALA 77 CO 0.01 -0.90 0.63 0.82 0.00 0.00 0.00 179.25 179.82 2d85 h ILE 78 N -0.31 0.94 -0.44 0.00 2.04 -1.63 -1.06 117.51 117.05 2d85 h ILE 78 Ca 0.14 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2d85 h ILE 78 Cb 0.58 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2d85 h ILE 78 CO -0.62 0.18 0.22 -1.28 0.00 0.00 0.00 178.15 176.66 2d85 h SER 79 N 1.01 0.57 0.85 1.72 0.87 -0.72 -2.54 113.55 115.30 2d85 h SER 79 Ca 0.49 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.89 2d85 h SER 79 Cb 0.46 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2d85 h SER 79 CO -0.25 0.52 -0.41 0.24 -0.53 0.00 0.00 176.83 176.40 2d85 h MET 80 N 0.57 -1.10 -0.96 2.24 2.86 0.11 0.17 114.93 118.82 2d85 h MET 80 Ca 0.15 0.07 0.30 0.00 -2.06 0.00 0.00 59.70 58.17 2d85 h MET 80 Cb 0.10 0.25 -0.17 0.00 0.06 0.00 0.00 31.60 31.84 2d85 h MET 80 CO -0.02 -0.73 0.25 0.00 1.06 0.00 0.00 176.91 177.47 2d85 h ALA 81 N -1.35 1.50 -0.10 6.32 0.00 -1.25 0.35 119.26 124.74 2d85 h ALA 81 Ca -0.12 0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2d85 h ALA 81 Cb 0.87 0.42 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2d85 h ALA 81 CO 0.19 -0.64 -0.49 -0.09 0.00 0.00 0.00 179.25 178.23 2d85 h ARG 82 N 0.09 0.50 -0.69 0.00 2.43 -1.33 -2.53 114.38 112.85 2d85 h ARG 82 Ca 0.66 -0.41 0.14 0.00 -0.81 0.00 0.00 59.98 59.56 2d85 h ARG 82 Cb 1.48 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 31.01 2d85 h ARG 82 CO -0.79 1.04 0.15 -0.22 -1.51 0.00 0.00 179.97 178.65 2d85 h LYS 83 N 0.08 0.25 -0.01 0.20 1.63 0.27 0.91 116.57 119.91 2d85 h LYS 83 Ca -0.03 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 2d85 h LYS 83 Cb 1.14 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 2d85 h LYS 83 CO 0.10 0.17 -0.63 -0.84 -3.45 0.00 0.00 179.45 174.80 2d85 h ILE 84 N 0.26 1.44 0.00 2.00 3.07 -1.21 -3.48 117.51 119.60 2d85 h ILE 84 Ca 0.38 -2.14 0.00 0.00 1.55 0.00 0.00 64.86 64.65 2d85 h ILE 84 Cb 0.61 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2d85 h ILE 84 CO -0.47 0.61 0.00 0.61 -1.05 0.00 0.00 178.15 177.85 2d85 n GLY 85 N 0.28 1.90 3.63 0.16 0.00 0.31 -5.12 105.19 106.36 2d85 n GLY 85 Ca -0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 2d85 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d85 s ALA 86 N 0.00 -2.10 -0.95 4.61 0.00 -1.14 -4.88 121.76 117.30 2d85 s ALA 86 Ca 0.00 1.76 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 2d85 s ALA 86 Cb 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.77 2d85 s ALA 86 CO 0.00 -0.20 1.21 1.03 0.00 0.00 0.00 175.76 177.80 2d85 s ARG 87 N -0.40 3.59 0.08 0.00 1.81 -1.26 -4.23 118.95 118.53 2d85 s ARG 87 Ca 0.05 -1.58 -0.19 0.00 -1.72 0.00 0.00 55.73 52.29 2d85 s ARG 87 Cb -0.03 -5.02 -0.09 0.00 -0.45 0.00 0.00 34.95 29.35 2d85 s ARG 87 CO -0.09 -1.89 1.50 -0.39 -0.68 0.00 0.00 175.30 173.76 2d85 h VAL 88 N 6.09 1.26 -6.47 3.52 -1.51 -1.91 -3.42 116.25 113.81 2d85 h VAL 88 Ca 0.16 -0.92 -0.51 0.00 -1.23 0.00 0.00 66.70 64.20 2d85 h VAL 88 Cb 1.02 1.41 -0.31 0.00 -2.13 0.00 0.00 31.29 31.29 2d85 h VAL 88 CO 1.19 0.28 -0.75 0.00 -1.23 0.00 0.00 177.57 177.07 2d85 n TYR 89 N -4.65 -0.96 -4.47 5.19 9.36 -1.26 -4.15 117.16 116.23 2d85 n TYR 89 Ca -0.04 0.56 -0.25 0.00 3.32 0.00 0.00 57.90 61.49 2d85 n TYR 89 Cb 0.25 -1.59 -0.08 0.00 -0.63 0.00 0.00 39.34 37.29 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2d85 n ALA 90 N -3.46 0.63 -2.90 2.98 0.00 -1.26 -4.91 120.51 111.59 2d85 n ALA 90 Ca 0.06 -2.11 -0.26 0.00 0.00 0.00 0.00 53.44 51.13 2d85 n ALA 90 Cb 0.39 1.49 -0.16 0.00 0.00 0.00 0.00 19.45 21.16 2d85 n ALA 90 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2d85 s LEU 91 N 0.00 1.92 0.11 0.00 2.96 -1.26 -5.01 118.68 117.40 2d85 s LEU 91 Ca 0.26 -0.36 0.18 0.00 -0.22 0.00 0.00 54.13 53.99 2d85 s LEU 91 Cb 0.01 -0.98 0.76 0.00 0.50 0.00 0.00 46.19 46.48 2d85 s LEU 91 CO 0.18 0.16 1.56 -0.81 -1.32 0.00 0.00 176.35 176.12 2d85 n PRO 92 N 3.14 0.08 0.15 0.98 -0.04 -1.26 -2.34 135.00 135.71 2d85 n PRO 92 Ca -0.18 0.33 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 2d85 n PRO 92 Cb 0.53 -1.66 0.07 0.00 -0.04 0.00 0.00 33.50 32.40 2d85 n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2d85 h GLU 93 N 0.00 0.00 0.02 0.54 5.08 -1.94 -3.27 114.58 115.02 2d85 h GLU 93 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2d85 h GLU 93 Cb 0.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2d85 h GLU 93 CO 0.00 0.47 -2.06 -0.25 -1.00 0.00 0.00 179.01 176.17 2d85 n ASP 94 N -3.25 0.96 -0.08 1.42 8.00 -0.99 -4.20 116.55 118.43 2d85 n ASP 94 Ca 0.02 0.19 0.10 0.00 0.71 0.00 0.00 54.79 55.80 2d85 n ASP 94 Cb 0.70 0.07 0.47 0.00 -0.02 0.00 0.00 41.12 42.34 2d85 n ASP 94 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d85 h LEU 95 N 0.01 0.42 -2.00 0.64 5.85 -1.58 0.41 115.31 119.06 2d85 h LEU 95 Ca -0.42 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2d85 h LEU 95 Cb 2.07 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 43.02 2d85 h LEU 95 CO 0.05 0.27 -0.09 0.58 -0.34 0.00 0.00 178.44 178.90 2d85 h VAL 96 N 0.48 0.75 -0.58 1.05 2.07 -1.73 -1.52 116.25 116.78 2d85 h VAL 96 Ca 0.26 -0.36 -0.20 0.00 0.82 0.00 0.00 66.70 67.21 2d85 h VAL 96 Cb 0.39 1.21 -0.12 0.00 -1.52 0.00 0.00 31.29 31.25 2d85 h VAL 96 CO -0.07 0.09 0.18 -0.62 0.02 0.00 0.00 177.57 177.17 2d85 n GLU 97 N -3.97 2.88 -4.23 1.57 1.02 0.10 -4.58 120.64 113.43 2d85 n GLU 97 Ca -0.02 -3.06 -0.33 0.00 -0.02 0.00 0.00 57.16 53.73 2d85 n GLU 97 Cb 0.18 -2.04 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 2d85 n GLU 97 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2d85 n VAL 98 N -0.61 -1.28 -2.15 2.62 0.31 -0.57 -4.80 118.33 111.84 2d85 n VAL 98 Ca 0.38 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.78 2d85 n VAL 98 Cb 1.24 -1.20 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 2d85 n VAL 98 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2d85 s ASN 99 N -4.20 6.58 0.41 4.52 0.01 -1.00 -4.88 114.94 116.39 2d85 s ASN 99 Ca 0.10 1.79 0.29 0.00 -0.71 0.00 0.00 52.86 54.33 2d85 s ASN 99 Cb -0.05 -2.53 1.20 0.00 0.41 0.00 0.00 41.25 40.28 2d85 s ASN 99 CO 0.97 -1.06 1.86 1.55 -1.51 0.00 0.00 177.10 178.90 2d85 h PRO 100 N 9.85 0.00 0.00 -0.60 0.13 -1.87 -1.97 132.00 137.55 2d85 h PRO 100 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2d85 h PRO 100 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2d85 h PRO 100 CO 0.98 0.00 -0.24 0.36 -0.23 0.00 0.00 178.00 178.87 2d85 n LYS 101 N -2.67 0.12 -0.09 0.86 -0.00 -1.26 -3.96 118.16 111.16 2d85 n LYS 101 Ca 0.01 0.07 -0.17 0.00 -0.00 0.00 0.00 58.31 58.22 2d85 n LYS 101 Cb 0.26 -1.61 -0.06 0.00 -0.00 0.00 0.00 35.03 33.63 2d85 n LYS 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2d85 n MET 102 N -1.79 0.45 -0.08 -1.58 1.56 -0.89 -4.46 117.12 110.33 2d85 n MET 102 Ca 0.06 0.19 0.23 0.00 -0.27 0.00 0.00 57.70 57.90 2d85 n MET 102 Cb 0.38 -1.27 0.42 0.00 2.15 0.00 0.00 33.22 34.91 2d85 n MET 102 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2d85 h VAL 103 N -0.80 0.05 -1.04 1.12 2.07 -1.55 -0.71 116.25 115.40 2d85 h VAL 103 Ca -0.34 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.60 2d85 h VAL 103 Cb 1.21 0.11 -0.16 0.00 -1.52 0.00 0.00 31.29 30.93 2d85 h VAL 103 CO -0.20 0.00 0.59 1.15 0.02 0.00 0.00 177.57 179.13 2d85 n MET 104 N -3.18 -0.05 -0.09 1.57 0.00 -1.25 -0.59 117.12 113.53 2d85 n MET 104 Ca 0.17 1.28 -0.19 0.00 0.00 0.00 0.00 57.70 58.97 2d85 n MET 104 Cb 1.30 -2.36 -0.13 0.00 0.00 0.00 0.00 33.22 32.04 2d85 n MET 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2d85 n THR 105 N -5.02 1.57 -0.32 3.17 -2.24 -0.27 -3.38 114.28 107.79 2d85 n THR 105 Ca 0.37 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 2d85 n THR 105 Cb 1.29 -1.49 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 2d85 n THR 105 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2d85 h VAL 106 N 0.02 0.00 0.04 2.28 2.07 -0.92 0.86 116.25 120.61 2d85 h VAL 106 Ca -0.53 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2d85 h VAL 106 Cb 1.95 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2d85 h VAL 106 CO -0.03 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.28 2d85 h PHE 107 N -0.07 -0.05 -0.57 1.57 0.04 -1.61 -3.32 116.94 112.92 2d85 h PHE 107 Ca 0.13 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.95 2d85 h PHE 107 Cb 0.40 0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.50 2d85 h PHE 107 CO -0.96 0.57 -0.34 0.00 -0.60 0.00 0.00 178.31 176.98 2d85 n ALA 108 N -2.62 -0.37 -0.36 2.45 0.00 -1.10 0.17 120.51 118.69 2d85 n ALA 108 Ca -0.07 0.49 0.28 0.00 0.00 0.00 0.00 53.44 54.13 2d85 n ALA 108 Cb 0.31 0.06 0.55 0.00 0.00 0.00 0.00 19.45 20.37 2d85 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 h LEU 110 N 0.28 -0.02 -1.00 0.00 3.38 0.16 -3.30 115.31 114.82 2d85 h LEU 110 Ca 0.68 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.69 2d85 h LEU 110 Cb 1.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2d85 h LEU 110 CO -0.36 0.10 0.74 0.00 0.09 0.00 0.00 178.44 179.00 2d85 h MET 111 N -0.24 0.00 -0.59 1.13 -0.00 0.32 -1.64 114.93 113.91 2d85 h MET 111 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 59.70 59.87 2d85 h MET 111 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.59 2d85 h MET 111 CO 0.00 0.00 1.05 0.78 -0.00 0.00 0.00 176.91 178.74 2d85 h GLY 112 N 0.00 0.00 0.98 -3.00 0.00 -0.54 0.77 103.07 101.28 2d85 h GLY 112 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2d85 h GLY 112 CO -0.00 0.00 0.19 1.70 0.00 0.00 0.00 176.54 178.43 2d85 h LYS 113 N 0.00 0.82 -2.19 4.80 3.64 -1.56 -3.11 116.57 118.98 2d85 h LYS 113 Ca 0.28 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 2d85 h LYS 113 Cb 2.37 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 34.02 2d85 h LYS 113 CO -0.00 0.74 -0.15 0.41 -2.27 0.00 0.00 179.45 178.18 2d85 n GLY 114 N -0.74 2.44 3.28 5.01 0.00 0.27 -4.59 105.19 110.86 2d85 n GLY 114 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.32 2d85 n GLY 114 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d85 s MET 115 N 1.27 0.17 -0.59 1.61 -2.45 -1.18 -5.12 119.30 113.02 2d85 s MET 115 Ca 0.42 0.41 -0.05 0.00 -1.25 0.00 0.00 55.69 55.22 2d85 s MET 115 Cb 0.20 0.25 0.15 0.00 1.25 0.00 0.00 34.83 36.68 2d85 s MET 115 CO 0.00 -0.06 0.42 0.15 1.05 0.00 0.00 175.02 176.57 2d85 s LYS 116 N 2.30 2.55 0.00 4.11 -0.14 -1.26 -4.79 119.74 122.51 2d85 s LYS 116 Ca -0.01 -2.30 0.00 0.00 -1.36 0.00 0.00 55.97 52.30 2d85 s LYS 116 Cb -0.04 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.31 2d85 s LYS 116 CO -0.16 -1.17 0.42 0.54 -0.76 0.00 0.00 175.35 174.22 2d85 n ARG 117 N 3.91 0.29 -1.51 1.68 1.74 -1.26 -5.08 116.66 116.43 2d85 n ARG 117 Ca 0.05 -0.51 -0.59 0.00 -0.77 0.00 0.00 57.85 56.02 2d85 n ARG 117 Cb 0.40 -0.71 -0.08 0.00 -1.02 0.00 0.00 32.46 31.04 2d85 n ARG 117 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2d85 n VAL 118 N -0.09 0.00 -1.64 1.55 3.14 -1.26 -4.82 118.33 115.20 2d85 n VAL 118 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 2d85 n VAL 118 Cb 0.25 -0.10 0.04 0.00 -1.06 0.00 0.00 33.84 32.97 2d85 n VAL 118 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2d85 n SER 119 N 1.96 7.45 0.00 6.55 3.41 -1.26 -5.02 113.62 126.71 2d85 n SER 119 Ca 0.22 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.10 2d85 n SER 119 Cb 0.05 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2d85 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d85 n GLY 120 N -0.49 -0.02 3.61 5.00 0.00 -1.26 -4.92 105.19 107.11 2d85 n GLY 120 Ca 0.55 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2d85 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d85 s PRO 121 N 0.00 -0.78 -0.17 1.61 0.04 -1.26 -5.06 135.00 129.38 2d85 s PRO 121 Ca 0.00 0.10 -0.01 0.00 0.04 0.00 0.00 61.00 61.13 2d85 s PRO 121 Cb 0.00 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.95 2d85 s PRO 121 CO 0.00 -3.45 -0.04 0.45 0.04 0.00 0.00 177.00 174.00 2d85 s SER 122 N -3.76 2.84 0.24 6.66 0.15 -1.26 -5.12 113.70 113.45 2d85 s SER 122 Ca 0.69 -0.68 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 2d85 s SER 122 Cb -0.12 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2d85 s SER 122 CO 0.57 -0.20 0.51 -0.44 1.20 0.00 0.00 173.24 174.87 2d85 s SER 123 N 1.66 -0.13 0.00 5.45 0.01 -1.26 -5.29 113.70 114.15 2d85 s SER 123 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2d85 s SER 123 Cb -0.15 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2d85 s SER 123 CO -0.07 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.03