#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 2.76 -3.74 1.61 2.88 -1.26 -4.95 113.62 110.92 2d85 n SER 2 Ca 0.00 1.04 -0.13 0.00 -1.33 0.00 0.00 58.87 58.45 2d85 n SER 2 Cb 0.00 -1.23 -0.10 0.00 -0.75 0.00 0.00 64.21 62.13 2d85 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d85 s SER 3 N 3.52 -0.35 0.00 -3.46 0.01 -1.26 -5.17 113.70 106.99 2d85 s SER 3 Ca 0.95 0.59 0.00 0.00 1.31 0.00 0.00 55.95 58.80 2d85 s SER 3 Cb -0.92 0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2d85 s SER 3 CO 0.59 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2d85 n GLY 4 N 2.40 3.31 3.41 3.44 0.00 -1.26 -5.17 105.19 111.31 2d85 n GLY 4 Ca -0.15 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 2d85 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d85 s SER 5 N -0.13 -0.48 -0.26 1.61 1.04 -1.26 -5.18 113.70 109.04 2d85 s SER 5 Ca 0.00 0.10 -0.26 0.00 0.48 0.00 0.00 55.95 56.28 2d85 s SER 5 Cb 0.00 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.75 2d85 s SER 5 CO 0.00 -0.82 0.86 -0.55 0.98 0.00 0.00 173.24 173.72 2d85 s SER 6 N -2.29 -0.60 0.00 7.02 0.15 -1.26 -4.50 113.70 112.22 2d85 s SER 6 Ca -0.02 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.74 2d85 s SER 6 Cb -0.00 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 2d85 s SER 6 CO -0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2d85 n GLY 7 N 2.29 2.16 3.85 9.45 0.00 -1.26 -5.08 105.19 116.61 2d85 n GLY 7 Ca -0.13 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2d85 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d85 s ASN 8 N 2.00 2.63 0.06 1.61 -0.87 -1.26 -4.92 114.94 114.19 2d85 s ASN 8 Ca 0.00 0.36 0.15 0.00 -1.57 0.00 0.00 52.86 51.80 2d85 s ASN 8 Cb 0.00 -0.46 0.63 0.00 -0.02 0.00 0.00 41.25 41.40 2d85 s ASN 8 CO 0.00 -3.05 1.46 -0.90 -2.57 0.00 0.00 177.10 172.04 2d85 n ASP 9 N -3.99 0.15 0.07 -1.22 5.75 -1.26 -1.90 116.55 114.14 2d85 n ASP 9 Ca 0.15 0.54 0.12 0.00 -0.01 0.00 0.00 54.79 55.59 2d85 n ASP 9 Cb 0.59 -0.57 0.46 0.00 -1.03 0.00 0.00 41.12 40.57 2d85 n ASP 9 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2d85 n ASP 10 N -1.68 0.41 0.27 -1.12 -0.08 -1.26 -2.84 116.55 110.26 2d85 n ASP 10 Ca 0.03 0.57 0.17 0.00 -1.51 0.00 0.00 54.79 54.05 2d85 n ASP 10 Cb 0.15 -0.67 0.73 0.00 2.34 0.00 0.00 41.12 43.67 2d85 n ASP 10 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2d85 h ILE 11 N 0.00 0.00 -1.12 5.18 2.10 -1.74 -3.08 117.51 118.85 2d85 h ILE 11 Ca 0.00 -0.43 0.31 0.00 1.08 0.00 0.00 64.86 65.82 2d85 h ILE 11 Cb 0.48 1.41 -0.09 0.00 -1.09 0.00 0.00 36.82 37.52 2d85 h ILE 11 CO 0.00 0.00 0.73 0.40 -1.08 0.00 0.00 178.15 178.20 2d85 h ILE 12 N 0.00 0.42 0.04 2.19 2.04 -1.75 0.21 117.51 120.67 2d85 h ILE 12 Ca 0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2d85 h ILE 12 Cb 0.44 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2d85 h ILE 12 CO 0.00 0.05 -0.02 0.58 0.00 0.00 0.00 178.15 178.76 2d85 h VAL 13 N 0.27 0.78 -0.15 1.67 2.07 -1.81 -3.21 116.25 115.87 2d85 h VAL 13 Ca 0.64 -1.48 0.05 0.00 0.82 0.00 0.00 66.70 66.73 2d85 h VAL 13 Cb 1.84 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 2d85 h VAL 13 CO -0.28 0.25 -0.32 -1.13 0.02 0.00 0.00 177.57 176.11 2d85 h ASN 14 N -0.98 -0.99 -0.68 0.57 -1.24 -1.46 -0.08 115.58 110.72 2d85 h ASN 14 Ca -0.01 0.15 0.13 0.00 0.71 0.00 0.00 56.30 57.29 2d85 h ASN 14 Cb 0.46 0.42 -0.13 0.00 0.73 0.00 0.00 38.32 39.80 2d85 h ASN 14 CO 0.01 -0.35 -0.17 -0.25 -1.29 0.00 0.00 177.43 175.37 2d85 h TRP 15 N -0.38 -0.37 0.01 0.67 7.01 -0.78 0.19 115.95 122.29 2d85 h TRP 15 Ca 0.10 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 2d85 h TRP 15 Cb 0.54 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.87 2d85 h TRP 15 CO -0.41 -0.29 -0.00 0.28 -2.79 0.00 0.00 178.44 175.22 2d85 h VAL 16 N -0.00 1.04 0.47 2.65 2.07 -1.35 -1.21 116.25 119.92 2d85 h VAL 16 Ca 0.32 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2d85 h VAL 16 Cb 0.50 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2d85 h VAL 16 CO -0.70 0.03 -0.50 0.78 0.02 0.00 0.00 177.57 177.20 2d85 h ASN 17 N -0.07 -1.39 0.07 0.57 2.35 0.42 -2.40 115.58 115.13 2d85 h ASN 17 Ca -0.00 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2d85 h ASN 17 Cb 0.06 0.47 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 2d85 h ASN 17 CO 0.00 -0.66 -0.43 -0.33 -1.65 0.00 0.00 177.43 174.36 2d85 h GLU 18 N -0.98 -0.57 -1.26 0.81 5.08 -0.69 0.11 114.58 117.08 2d85 h GLU 18 Ca -0.06 0.04 0.45 0.00 -1.00 0.00 0.00 59.36 58.80 2d85 h GLU 18 Cb 0.86 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 30.10 2d85 h GLU 18 CO -0.08 -0.38 0.78 2.41 -1.00 0.00 0.00 179.01 180.73 2d85 n THR 19 N -4.91 -0.29 -0.04 1.13 -1.04 -0.46 0.47 114.28 109.15 2d85 n THR 19 Ca -0.07 1.81 -0.15 0.00 -2.04 0.00 0.00 64.05 63.61 2d85 n THR 19 Cb 0.33 -2.96 -0.13 0.00 -1.82 0.00 0.00 70.33 65.75 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 0.10 -0.13 -4.42 3.38 -0.62 -3.30 115.31 110.32 2d85 h LEU 20 Ca 0.85 -0.90 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2d85 h LEU 20 Cb 2.63 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 43.31 2d85 h LEU 20 CO -0.53 1.00 -0.09 -0.09 0.09 0.00 0.00 178.44 178.82 2d85 h ARG 21 N -0.77 -0.09 -0.91 1.13 9.65 0.25 0.27 114.38 123.91 2d85 h ARG 21 Ca -0.02 0.01 0.26 0.00 -1.10 0.00 0.00 59.98 59.12 2d85 h ARG 21 Cb 1.04 0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.49 2d85 h ARG 21 CO 0.03 -0.06 0.26 0.93 2.80 0.00 0.00 179.97 183.93 2d85 h GLU 22 N -0.10 0.18 0.00 0.20 4.39 -0.66 1.23 114.58 119.81 2d85 h GLU 22 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2d85 h GLU 22 Cb 0.22 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2d85 h GLU 22 CO -0.19 0.12 -0.42 0.00 -1.16 0.00 0.00 179.01 177.35 2d85 n ALA 23 N -2.69 3.03 -2.48 3.43 0.00 -0.80 -4.96 120.51 116.03 2d85 n ALA 23 Ca 0.24 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2d85 n ALA 23 Cb 0.76 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.77 -1.77 -2.45 0.00 1.02 0.42 -5.04 120.64 111.05 2d85 n GLU 24 Ca 0.05 0.21 -0.32 0.00 -0.02 0.00 0.00 57.16 57.08 2d85 n GLU 24 Cb 0.38 -3.35 -0.04 0.00 -0.02 0.00 0.00 31.44 28.41 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 -4.64 3.94 -0.07 3.49 3.01 0.14 -4.96 119.74 120.65 2d85 s LYS 25 Ca 0.04 0.92 0.13 0.00 -1.01 0.00 0.00 55.97 56.05 2d85 s LYS 25 Cb -0.02 -2.16 0.48 0.00 -1.01 0.00 0.00 37.83 35.12 2d85 s LYS 25 CO 0.18 -0.24 1.35 0.43 0.51 0.00 0.00 175.35 177.58 2d85 n SER 26 N -1.52 3.29 -4.40 2.83 7.64 -1.26 -4.76 113.62 115.45 2d85 n SER 26 Ca 0.06 -2.27 -0.29 0.00 1.01 0.00 0.00 58.87 57.38 2d85 n SER 26 Cb 0.54 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 63.15 2d85 n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d85 s SER 27 N -0.79 3.37 0.03 6.43 0.01 -1.26 -5.05 113.70 116.43 2d85 s SER 27 Ca 0.34 -0.74 -0.27 0.00 1.31 0.00 0.00 55.95 56.60 2d85 s SER 27 Cb 0.22 -0.25 0.09 0.00 0.21 0.00 0.00 66.02 66.29 2d85 s SER 27 CO 0.17 0.18 1.23 -0.94 0.41 0.00 0.00 173.24 174.29 2d85 s SER 28 N -2.08 -0.00 0.04 2.44 1.04 -1.26 -4.84 113.70 109.03 2d85 s SER 28 Ca 0.14 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 2d85 s SER 28 Cb -0.10 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2d85 s SER 28 CO 0.06 -0.44 -0.01 0.27 0.98 0.00 0.00 173.24 174.10 2d85 s ILE 29 N -2.09 0.17 -0.19 -1.02 -4.36 -1.26 -4.56 121.20 107.89 2d85 s ILE 29 Ca 0.26 -1.39 0.10 0.00 -0.26 0.00 0.00 60.65 59.37 2d85 s ILE 29 Cb -0.01 -0.99 -0.22 0.00 1.25 0.00 0.00 42.46 42.49 2d85 s ILE 29 CO 0.00 -0.77 0.09 -0.24 0.24 0.00 0.00 174.94 174.27 2d85 n SER 30 N 0.72 0.90 -3.71 4.36 2.88 -1.26 -4.93 113.62 112.58 2d85 n SER 30 Ca -0.18 0.04 -0.03 0.00 -1.33 0.00 0.00 58.87 57.36 2d85 n SER 30 Cb 0.59 0.27 -0.01 0.00 -0.75 0.00 0.00 64.21 64.30 2d85 n SER 30 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d85 s SER 31 N -6.02 -0.15 0.55 -3.46 1.04 -1.26 -5.00 113.70 99.40 2d85 s SER 31 Ca -0.18 -0.42 0.37 0.00 0.48 0.00 0.00 55.95 56.20 2d85 s SER 31 Cb 0.07 0.48 1.54 0.00 0.10 0.00 0.00 66.02 68.21 2d85 s SER 31 CO 0.76 -0.89 1.77 -0.26 0.98 0.00 0.00 173.24 175.60 2d85 h PHE 32 N 2.00 0.00 -1.40 5.02 0.04 -2.00 0.34 116.94 120.94 2d85 h PHE 32 Ca -0.25 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 59.82 2d85 h PHE 32 Cb 1.23 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 39.08 2d85 h PHE 32 CO 0.47 0.00 0.74 1.63 -0.60 0.00 0.00 178.31 180.55 2d85 n LYS 33 N -4.09 2.82 -2.65 1.51 5.02 -1.26 -4.80 118.16 114.71 2d85 n LYS 33 Ca 0.26 -3.51 -0.40 0.00 -2.02 0.00 0.00 58.31 52.63 2d85 n LYS 33 Cb 1.28 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.76 7.49 0.09 4.39 -1.08 0.12 -4.97 116.67 120.94 2d85 s ASP 34 Ca 0.58 2.03 -0.16 0.00 -0.52 0.00 0.00 52.55 54.48 2d85 s ASP 34 Cb 0.47 -2.61 -0.10 0.00 -1.46 0.00 0.00 42.92 39.22 2d85 s ASP 34 CO -0.18 0.01 1.41 1.55 0.52 0.00 0.00 175.17 178.48 2d85 h PRO 35 N 4.34 0.63 -1.07 4.34 0.13 -1.95 -3.07 132.00 135.36 2d85 h PRO 35 Ca -0.45 -0.33 0.31 0.00 -0.87 0.00 0.00 66.00 64.66 2d85 h PRO 35 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2d85 h PRO 35 CO 0.69 0.93 0.77 0.87 -0.23 0.00 0.00 178.00 181.02 2d85 h LYS 36 N 0.35 0.00 -0.54 0.86 6.56 -1.93 0.36 116.57 122.22 2d85 h LYS 36 Ca 0.04 -0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.76 2d85 h LYS 36 Cb 0.81 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.44 2d85 h LYS 36 CO 0.06 0.00 0.38 0.82 -2.06 0.00 0.00 179.45 178.65 2d85 h ILE 37 N 0.00 0.81 -0.65 1.86 2.04 -1.86 -0.17 117.51 119.55 2d85 h ILE 37 Ca 0.51 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 66.43 2d85 h ILE 37 Cb 2.03 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 2d85 h ILE 37 CO -0.01 0.03 0.44 -1.28 0.00 0.00 0.00 178.15 177.33 2d85 h SER 38 N 0.18 0.31 0.38 1.72 0.87 -0.47 0.26 113.55 116.81 2d85 h SER 38 Ca 0.26 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2d85 h SER 38 Cb 0.77 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2d85 h SER 38 CO -0.04 0.17 -0.46 0.35 -0.53 0.00 0.00 176.83 176.32 2d85 n THR 39 N -4.46 0.00 -1.88 2.23 -2.24 -0.09 -4.68 114.28 103.16 2d85 n THR 39 Ca 0.12 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2d85 n THR 39 Cb 0.48 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.23 -4.31 0.10 3.42 7.64 0.93 -4.88 113.62 115.28 2d85 n SER 40 Ca 0.07 0.13 -0.13 0.00 1.01 0.00 0.00 58.87 59.96 2d85 n SER 40 Cb 0.34 -3.28 -0.08 0.00 -1.01 0.00 0.00 64.21 60.18 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 -0.23 -1.47 -3.43 3.38 -1.79 0.40 115.31 112.17 2d85 h LEU 41 Ca -0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2d85 h LEU 41 Cb 1.07 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2d85 h LEU 41 CO 0.38 0.19 -0.06 1.55 0.09 0.00 0.00 178.44 180.59 2d85 h PRO 42 N -0.70 0.00 0.00 1.13 0.13 -1.80 0.12 132.00 130.88 2d85 h PRO 42 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 2d85 h PRO 42 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 2d85 h PRO 42 CO 0.05 0.06 -1.27 0.28 -0.23 0.00 0.00 178.00 176.88 2d85 h VAL 43 N 0.00 0.45 0.03 1.56 2.07 -1.91 -3.14 116.25 115.30 2d85 h VAL 43 Ca -0.00 -1.86 -0.29 0.00 0.82 0.00 0.00 66.70 65.37 2d85 h VAL 43 Cb 0.53 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2d85 h VAL 43 CO 0.01 0.26 -1.57 0.18 0.02 0.00 0.00 177.57 176.46 2d85 n LEU 44 N -2.89 2.07 0.23 2.57 4.77 0.13 -3.76 117.00 120.11 2d85 n LEU 44 Ca -0.07 0.35 0.07 0.00 -0.03 0.00 0.00 56.01 56.33 2d85 n LEU 44 Cb 0.79 -0.99 0.54 0.00 -2.33 0.00 0.00 43.42 41.43 2d85 n LEU 44 CO 0.42 0.45 0.88 -0.78 -1.33 0.00 0.00 177.39 177.03 2d85 h ASP 45 N -0.74 0.00 -0.36 -1.43 3.58 -0.96 -2.71 116.42 113.80 2d85 h ASP 45 Ca -0.41 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.94 2d85 h ASP 45 Cb 1.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 2d85 h ASP 45 CO -0.16 0.21 -0.18 0.25 -2.88 0.00 0.00 179.24 176.48 2d85 h LEU 46 N 0.00 0.78 0.09 2.28 5.85 -1.71 -2.94 115.31 119.65 2d85 h LEU 46 Ca -0.00 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2d85 h LEU 46 Cb 0.41 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2d85 h LEU 46 CO 0.03 1.01 -0.11 0.40 -0.34 0.00 0.00 178.44 179.43 2d85 h ILE 47 N 0.54 0.75 -0.24 4.05 2.04 -1.57 -2.96 117.51 120.12 2d85 h ILE 47 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 2d85 h ILE 47 Cb 0.72 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 2d85 h ILE 47 CO 0.05 0.00 -0.29 -0.78 0.00 0.00 0.00 178.15 177.13 2d85 h ASP 48 N -0.23 -0.94 -0.97 1.72 3.58 -1.55 -1.52 116.42 116.51 2d85 h ASP 48 Ca 0.01 0.16 0.19 0.00 0.42 0.00 0.00 57.03 57.81 2d85 h ASP 48 Cb 0.23 0.42 -0.18 0.00 1.72 0.00 0.00 39.33 41.52 2d85 h ASP 48 CO -0.05 -0.32 -0.24 0.00 -2.88 0.00 0.00 179.24 175.75 2d85 n ALA 49 N -2.87 0.23 0.33 -0.78 0.00 -1.11 -1.17 120.51 115.14 2d85 n ALA 49 Ca -0.01 1.06 -0.14 0.00 0.00 0.00 0.00 53.44 54.35 2d85 n ALA 49 Cb 0.32 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 2d85 n ALA 49 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d85 h ILE 50 N 0.00 0.11 -3.42 0.00 2.04 -1.26 -3.40 117.51 111.58 2d85 h ILE 50 Ca 0.46 -0.34 -0.71 0.00 1.00 0.00 0.00 64.86 65.27 2d85 h ILE 50 Cb 0.71 0.16 -0.32 0.00 -0.74 0.00 0.00 36.82 36.62 2d85 h ILE 50 CO -0.99 0.02 -0.44 -1.58 0.00 0.00 0.00 178.15 175.15 2d85 s GLN 51 N -4.67 2.32 -0.09 2.37 2.00 -0.32 -5.07 119.66 116.21 2d85 s GLN 51 Ca -0.14 -1.90 -0.30 0.00 -2.00 0.00 0.00 55.36 51.02 2d85 s GLN 51 Cb 0.02 -3.77 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 2d85 s GLN 51 CO 0.44 -1.14 1.52 -1.25 -0.50 0.00 0.00 175.29 174.35 2d85 s PRO 52 N 1.06 4.20 0.00 1.67 0.04 -0.98 -3.79 135.00 137.20 2d85 s PRO 52 Ca 0.08 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2d85 s PRO 52 Cb -0.24 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2d85 s PRO 52 CO -0.03 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.63 2d85 n GLY 53 N 3.95 1.00 1.57 0.56 0.00 -1.26 -5.05 105.19 105.95 2d85 n GLY 53 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.30 -4.75 1.61 3.41 -1.25 -5.07 113.62 107.87 2d85 n SER 54 Ca 0.00 0.26 -0.40 0.00 -0.26 0.00 0.00 58.87 58.47 2d85 n SER 54 Cb 0.00 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 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 4.48 -0.27 -1.33 -1.09 -1.26 -5.05 121.20 114.67 2d85 s ILE 55 Ca 0.00 1.81 -0.01 0.00 -2.23 0.00 0.00 60.65 60.21 2d85 s ILE 55 Cb 0.00 -4.19 0.09 0.00 -1.58 0.00 0.00 42.46 36.77 2d85 s ILE 55 CO 0.00 0.43 0.07 0.21 -1.23 0.00 0.00 174.94 174.41 2d85 s ASN 56 N -0.55 3.72 0.58 3.58 2.47 -1.26 -4.98 114.94 118.49 2d85 s ASN 56 Ca 0.40 -1.38 0.28 0.00 0.42 0.00 0.00 52.86 52.57 2d85 s ASN 56 Cb -0.23 -0.81 1.53 0.00 -1.45 0.00 0.00 41.25 40.29 2d85 s ASN 56 CO 0.27 -0.37 2.00 1.88 -3.72 0.00 0.00 177.10 177.16 2d85 h TYR 57 N 8.12 0.00 -0.54 0.43 -1.99 -1.96 0.46 116.97 121.49 2d85 h TYR 57 Ca -0.15 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.65 2d85 h TYR 57 Cb 1.05 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.74 2d85 h TYR 57 CO 0.35 0.00 0.36 0.22 -0.00 0.00 0.00 178.16 179.09 2d85 h ASP 58 N 0.00 0.40 0.26 3.88 1.82 -2.00 -2.48 116.42 118.30 2d85 h ASP 58 Ca 0.17 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.48 2d85 h ASP 58 Cb 0.85 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.73 2d85 h ASP 58 CO -0.00 0.26 -1.95 0.18 -1.61 0.00 0.00 179.24 176.11 2d85 n LEU 59 N -4.47 1.58 -4.34 2.28 4.77 0.10 -4.95 117.00 111.96 2d85 n LEU 59 Ca 0.08 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 56.01 2d85 n LEU 59 Cb 0.28 -0.34 0.28 0.00 -2.33 0.00 0.00 43.42 41.30 2d85 n LEU 59 CO 0.34 0.61 0.43 -0.76 -1.33 0.00 0.00 177.39 176.69 2d85 s LEU 60 N -6.40 -0.70 -0.03 2.23 1.43 -0.88 -5.03 118.68 109.31 2d85 s LEU 60 Ca -0.14 0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 53.86 2d85 s LEU 60 Cb 0.07 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 2d85 s LEU 60 CO 0.79 -5.12 -0.15 0.29 0.23 0.00 0.00 176.35 172.39 2d85 n LYS 61 N -5.49 0.22 -2.29 1.70 4.01 -1.26 -4.96 118.16 110.09 2d85 n LYS 61 Ca 0.10 0.09 -0.03 0.00 -0.51 0.00 0.00 58.31 57.97 2d85 n LYS 61 Cb 0.59 -0.85 -0.00 0.00 -0.51 0.00 0.00 35.03 34.26 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 -3.75 -0.10 -3.81 -0.18 5.66 -1.26 -4.87 114.28 105.97 2d85 n THR 62 Ca -0.06 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.69 2d85 n THR 62 Cb 0.22 -0.35 -0.17 0.00 -1.55 0.00 0.00 70.33 68.48 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 -4.62 0.90 -1.43 1.09 -1.05 -1.26 -4.84 118.70 107.49 2d85 s GLU 63 Ca 0.00 -0.11 -0.18 0.00 -0.15 0.00 0.00 54.97 54.53 2d85 s GLU 63 Cb 0.00 -1.37 0.18 0.00 -0.44 0.00 0.00 34.13 32.50 2d85 s GLU 63 CO 0.00 -0.36 0.45 0.09 0.95 0.00 0.00 175.26 176.40 2d85 n ASN 64 N 5.06 -1.44 -4.20 0.83 3.02 -1.26 -4.79 115.26 112.49 2d85 n ASN 64 Ca -0.09 -0.92 -0.35 0.00 -0.03 0.00 0.00 54.58 53.20 2d85 n ASN 64 Cb 0.49 -1.27 0.08 0.00 -0.61 0.00 0.00 39.78 38.47 2d85 n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2d85 n LEU 65 N -3.30 -3.32 -4.04 3.41 4.77 -1.26 -5.02 117.00 108.23 2d85 n LEU 65 Ca 0.09 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 2d85 n LEU 65 Cb 0.37 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.45 2d85 n LEU 65 CO 0.73 -4.92 0.16 0.54 -1.33 0.00 0.00 177.39 172.57 2d85 s ASN 66 N -1.47 0.46 0.61 -1.43 2.20 -1.26 -4.86 114.94 109.19 2d85 s ASN 66 Ca 0.48 -1.27 0.26 0.00 -0.94 0.00 0.00 52.86 51.39 2d85 s ASN 66 Cb -0.20 0.64 1.13 0.00 -2.00 0.00 0.00 41.25 40.82 2d85 s ASN 66 CO 0.76 -1.25 1.55 -0.78 -2.94 0.00 0.00 177.10 174.44 2d85 h ASP 67 N 2.18 0.00 0.00 3.54 1.82 -1.97 0.77 116.42 122.76 2d85 h ASP 67 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2d85 h ASP 67 Cb 1.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 2d85 h ASP 67 CO 0.39 0.00 -0.16 -0.78 -1.61 0.00 0.00 179.24 177.08 2d85 h ASP 68 N 0.00 0.00 0.38 2.28 1.82 -2.00 -3.32 116.42 115.59 2d85 h ASP 68 Ca 0.32 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.94 2d85 h ASP 68 Cb 2.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.06 2d85 h ASP 68 CO -0.00 0.42 -0.18 -0.33 -1.61 0.00 0.00 179.24 177.54 2d85 h GLU 69 N -0.69 -0.49 -1.00 0.28 4.39 -1.65 -2.96 114.58 112.45 2d85 h GLU 69 Ca 0.00 0.03 0.25 0.00 0.34 0.00 0.00 59.36 59.98 2d85 h GLU 69 Cb 0.16 0.11 -0.19 0.00 -0.10 0.00 0.00 28.75 28.73 2d85 h GLU 69 CO 0.00 -0.27 -0.07 0.87 -1.16 0.00 0.00 179.01 178.38 2d85 h LYS 70 N -0.61 0.00 0.25 2.33 1.57 0.29 0.17 116.57 120.57 2d85 h LYS 70 Ca -0.05 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2d85 h LYS 70 Cb 0.45 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2d85 h LYS 70 CO 0.09 0.00 -0.39 1.25 -0.57 0.00 0.00 179.45 179.83 2d85 h LEU 71 N 0.00 -1.10 -1.17 2.94 5.85 -1.62 0.18 115.31 120.40 2d85 h LEU 71 Ca 0.56 0.11 0.25 0.00 0.84 0.00 0.00 57.88 59.64 2d85 h LEU 71 Cb 1.07 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 42.39 2d85 h LEU 71 CO -0.97 -0.50 0.63 0.78 -0.34 0.00 0.00 178.44 178.04 2d85 h ASN 72 N -0.71 0.58 -0.25 1.25 2.35 -0.64 0.28 115.58 118.43 2d85 h ASN 72 Ca -0.00 0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 2d85 h ASN 72 Cb 0.68 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2d85 h ASN 72 CO -0.15 0.11 -0.43 0.78 -1.65 0.00 0.00 177.43 176.09 2d85 h ASN 73 N 0.51 0.88 -0.48 5.81 4.21 -0.46 -2.44 115.58 123.62 2d85 h ASN 73 Ca 0.62 -0.42 -0.04 0.00 1.21 0.00 0.00 56.30 57.67 2d85 h ASN 73 Cb 1.32 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.25 2d85 h ASN 73 CO -0.38 1.19 0.16 0.00 -1.29 0.00 0.00 177.43 177.10 2d85 h ALA 74 N 0.85 0.63 -0.56 -0.83 0.00 0.15 -1.31 119.26 118.18 2d85 h ALA 74 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2d85 h ALA 74 Cb 1.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2d85 h ALA 74 CO 0.10 0.27 0.08 0.87 0.00 0.00 0.00 179.25 180.56 2d85 h LYS 75 N 0.64 0.90 -0.46 0.00 1.57 -1.11 -2.43 116.57 115.68 2d85 h LYS 75 Ca 0.16 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2d85 h LYS 75 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2d85 h LYS 75 CO -0.01 0.84 -0.19 -0.92 -0.57 0.00 0.00 179.45 178.60 2d85 h TYR 76 N 0.85 1.02 0.83 -1.35 3.20 -1.19 -0.85 116.97 119.48 2d85 h TYR 76 Ca 0.17 -0.23 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2d85 h TYR 76 Cb 0.39 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.42 2d85 h TYR 76 CO 0.02 1.01 -0.40 0.00 -1.64 0.00 0.00 178.16 177.15 2d85 h ALA 77 N 0.99 -1.12 -0.53 1.82 0.00 -0.97 -0.49 119.26 118.96 2d85 h ALA 77 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2d85 h ALA 77 Cb 0.73 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2d85 h ALA 77 CO 0.06 -1.09 0.32 0.82 0.00 0.00 0.00 179.25 179.36 2d85 h ILE 78 N -1.20 1.15 -0.50 0.00 2.04 -1.49 -2.33 117.51 115.18 2d85 h ILE 78 Ca -0.11 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 2d85 h ILE 78 Cb 0.87 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2d85 h ILE 78 CO 0.19 0.16 0.17 0.28 0.00 0.00 0.00 178.15 178.94 2d85 h SER 79 N 0.72 0.71 0.22 1.72 0.02 -1.02 -3.12 113.55 112.81 2d85 h SER 79 Ca 0.19 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2d85 h SER 79 Cb -0.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2d85 h SER 79 CO -0.04 0.72 -0.11 -0.03 -1.14 0.00 0.00 176.83 176.23 2d85 h MET 80 N 0.67 -0.29 -0.92 3.45 -1.53 -0.56 -2.01 114.93 113.73 2d85 h MET 80 Ca 0.16 0.02 0.09 0.00 -3.44 0.00 0.00 59.70 56.53 2d85 h MET 80 Cb 0.25 0.07 -0.11 0.00 -0.55 0.00 0.00 31.60 31.25 2d85 h MET 80 CO -0.01 -0.17 -0.53 0.00 0.14 0.00 0.00 176.91 176.34 2d85 n ALA 81 N -2.24 -0.56 -0.30 0.39 0.00 -0.97 0.39 120.51 117.23 2d85 n ALA 81 Ca -0.09 0.79 -0.05 0.00 0.00 0.00 0.00 53.44 54.09 2d85 n ALA 81 Cb 0.15 -0.14 0.07 0.00 0.00 0.00 0.00 19.45 19.53 2d85 n ALA 81 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2d85 h ARG 82 N 0.00 1.11 -0.07 0.00 2.43 -1.54 0.11 114.38 116.42 2d85 h ARG 82 Ca 0.16 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2d85 h ARG 82 Cb 0.39 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2d85 h ARG 82 CO -0.86 0.80 -0.21 -0.22 -1.51 0.00 0.00 179.97 177.97 2d85 h LYS 83 N 1.11 -0.29 0.00 0.20 1.63 0.71 -1.38 116.57 118.55 2d85 h LYS 83 Ca 0.29 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 2d85 h LYS 83 Cb -0.00 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2d85 h LYS 83 CO -0.05 -0.19 -0.14 -0.84 -3.45 0.00 0.00 179.45 174.78 2d85 h ILE 84 N -0.30 0.32 0.00 2.00 3.07 -0.42 -3.47 117.51 118.71 2d85 h ILE 84 Ca 0.08 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.49 2d85 h ILE 84 Cb 0.41 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 2d85 h ILE 84 CO -0.24 0.14 0.00 0.61 -1.05 0.00 0.00 178.15 177.61 2d85 n GLY 85 N 0.35 2.00 3.75 0.16 0.00 0.34 -5.09 105.19 106.70 2d85 n GLY 85 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.13 -0.30 4.61 0.00 -1.02 -4.75 121.76 118.16 2d85 s ALA 86 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 2d85 s ALA 86 Cb 0.00 0.57 0.17 0.00 0.00 0.00 0.00 23.12 23.86 2d85 s ALA 86 CO 0.00 -1.08 0.78 -0.98 0.00 0.00 0.00 175.76 174.49 2d85 s ARG 87 N -2.42 0.44 0.26 0.00 1.70 -1.26 -4.36 118.95 113.31 2d85 s ARG 87 Ca 0.18 0.93 0.06 0.00 -0.47 0.00 0.00 55.73 56.43 2d85 s ARG 87 Cb 0.02 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.92 2d85 s ARG 87 CO -0.01 -0.32 0.23 1.33 -1.08 0.00 0.00 175.30 175.45 2d85 n VAL 88 N 5.34 0.00 -1.59 4.99 0.24 -1.26 -4.86 118.33 121.19 2d85 n VAL 88 Ca -0.07 -1.89 0.06 0.00 -2.04 0.00 0.00 64.34 60.41 2d85 n VAL 88 Cb 0.51 0.95 0.17 0.00 -1.47 0.00 0.00 33.84 34.01 2d85 n VAL 88 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d85 n TYR 89 N -0.50 0.00 -1.35 6.34 9.36 -1.26 -5.06 117.16 124.70 2d85 n TYR 89 Ca 0.06 -1.25 -0.22 0.00 3.32 0.00 0.00 57.90 59.81 2d85 n TYR 89 Cb 0.48 -0.21 0.17 0.00 -0.63 0.00 0.00 39.34 39.14 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 -0.99 -1.79 -3.48 2.98 0.00 -1.26 -5.01 120.51 110.96 2d85 n ALA 90 Ca 0.16 -1.27 -0.12 0.00 0.00 0.00 0.00 53.44 52.21 2d85 n ALA 90 Cb 0.72 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 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 0.67 0.21 0.00 2.96 -1.26 -5.05 118.68 116.21 2d85 s LEU 91 Ca 0.55 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.96 2d85 s LEU 91 Cb -0.03 0.79 0.19 0.00 0.50 0.00 0.00 46.19 47.64 2d85 s LEU 91 CO 0.40 -0.13 1.57 1.55 -1.32 0.00 0.00 176.35 178.42 2d85 h PRO 92 N 6.61 0.58 -0.42 0.98 0.13 -1.96 -1.28 132.00 136.64 2d85 h PRO 92 Ca -0.34 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2d85 h PRO 92 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2d85 h PRO 92 CO 0.36 0.90 0.27 0.93 -0.23 0.00 0.00 178.00 180.23 2d85 h GLU 93 N 0.47 0.55 0.14 0.86 3.07 -1.94 -2.64 114.58 115.09 2d85 h GLU 93 Ca 0.04 -0.03 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 2d85 h GLU 93 Cb 0.94 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2d85 h GLU 93 CO 0.08 0.37 -1.71 -0.44 -1.40 0.00 0.00 179.01 175.91 2d85 h ASP 94 N 0.57 0.46 -1.01 1.42 5.19 -1.96 -3.35 116.42 117.75 2d85 h ASP 94 Ca 0.15 -0.74 0.23 0.00 -0.62 0.00 0.00 57.03 56.06 2d85 h ASP 94 Cb -0.06 -0.15 -0.12 0.00 0.18 0.00 0.00 39.33 39.18 2d85 h ASP 94 CO -0.03 1.63 0.60 0.25 -3.12 0.00 0.00 179.24 178.57 2d85 h LEU 95 N 0.08 0.70 -0.88 1.55 5.85 -0.88 0.11 115.31 121.84 2d85 h LEU 95 Ca -0.32 0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.70 2d85 h LEU 95 Cb 2.06 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.99 2d85 h LEU 95 CO 0.15 0.15 0.44 0.58 -0.34 0.00 0.00 178.44 179.42 2d85 h VAL 96 N 0.62 0.65 -0.50 1.05 2.07 -1.63 0.99 116.25 119.50 2d85 h VAL 96 Ca 0.63 -0.19 -0.33 0.00 0.82 0.00 0.00 66.70 67.62 2d85 h VAL 96 Cb 1.15 0.03 -0.15 0.00 -1.52 0.00 0.00 31.29 30.81 2d85 h VAL 96 CO -0.44 0.10 0.42 -0.62 0.02 0.00 0.00 177.57 177.05 2d85 n GLU 97 N -4.91 1.81 -3.85 1.57 1.02 0.38 -4.60 120.64 112.06 2d85 n GLU 97 Ca 0.19 -1.62 -0.26 0.00 -0.02 0.00 0.00 57.16 55.45 2d85 n GLU 97 Cb 0.51 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.19 -1.13 -2.58 2.62 0.31 0.34 -4.80 118.33 113.29 2d85 n VAL 98 Ca 0.31 -0.37 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 2d85 n VAL 98 Cb 0.66 -1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 32.55 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 -3.97 6.89 0.08 4.52 -0.87 -1.17 -4.89 114.94 115.53 2d85 s ASN 99 Ca 0.14 1.14 0.17 0.00 -1.57 0.00 0.00 52.86 52.73 2d85 s ASN 99 Cb -0.08 -2.54 0.73 0.00 -0.02 0.00 0.00 41.25 39.34 2d85 s ASN 99 CO 0.68 -0.90 1.54 -0.81 -2.57 0.00 0.00 177.10 175.04 2d85 n PRO 100 N 6.92 0.06 0.09 -0.60 -0.04 -1.26 -1.71 135.00 138.45 2d85 n PRO 100 Ca 0.13 0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.84 2d85 n PRO 100 Cb 0.47 -1.62 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2d85 n PRO 100 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2d85 h LYS 101 N 0.00 0.05 0.02 0.54 6.56 -1.98 -2.96 116.57 118.80 2d85 h LYS 101 Ca 0.00 -0.06 -0.39 0.00 -1.06 0.00 0.00 60.65 59.13 2d85 h LYS 101 Cb 0.28 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.90 2d85 h LYS 101 CO 0.00 0.88 -2.32 -1.33 -2.06 0.00 0.00 179.45 174.62 2d85 n MET 102 N -3.56 0.65 -0.23 3.15 2.81 -1.04 -4.38 117.12 114.51 2d85 n MET 102 Ca -0.01 0.23 0.08 0.00 -1.81 0.00 0.00 57.70 56.19 2d85 n MET 102 Cb 0.82 -1.56 0.35 0.00 -0.71 0.00 0.00 33.22 32.11 2d85 n MET 102 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2d85 h VAL 103 N -0.32 0.95 -0.94 2.03 2.07 -1.47 -0.56 116.25 118.01 2d85 h VAL 103 Ca -0.57 -0.26 0.27 0.00 0.82 0.00 0.00 66.70 66.96 2d85 h VAL 103 Cb 1.80 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2d85 h VAL 103 CO -0.16 0.14 0.77 0.00 0.02 0.00 0.00 177.57 178.35 2d85 h MET 104 N 0.77 0.00 0.01 1.57 -0.00 -1.72 -1.75 114.93 113.81 2d85 h MET 104 Ca 0.38 0.00 -0.40 0.00 -0.00 0.00 0.00 59.70 59.68 2d85 h MET 104 Cb 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 31.97 2d85 h MET 104 CO -0.15 0.00 -2.22 0.25 -0.00 0.00 0.00 176.91 174.79 2d85 n THR 105 N -3.95 1.54 -0.32 -0.10 -2.24 -0.28 -3.50 114.28 105.44 2d85 n THR 105 Ca 0.20 -0.36 0.12 0.00 -2.27 0.00 0.00 64.05 61.74 2d85 n THR 105 Cb 1.09 -1.82 0.24 0.00 -2.10 0.00 0.00 70.33 67.74 2d85 n THR 105 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2d85 n VAL 106 N -4.05 -0.38 0.09 2.28 0.31 -0.70 0.08 118.33 115.96 2d85 n VAL 106 Ca -0.47 2.01 -0.22 0.00 -0.01 0.00 0.00 64.34 65.66 2d85 n VAL 106 Cb 0.88 -2.91 -0.15 0.00 -0.91 0.00 0.00 33.84 30.75 2d85 n VAL 106 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2d85 h PHE 107 N 0.00 0.72 -0.25 3.52 0.04 -1.67 -3.36 116.94 115.94 2d85 h PHE 107 Ca 0.53 -0.52 0.02 0.00 2.80 0.00 0.00 57.97 60.80 2d85 h PHE 107 Cb 1.05 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.14 2d85 h PHE 107 CO -0.50 1.41 -0.15 0.00 -0.60 0.00 0.00 178.31 178.46 2d85 n ALA 108 N -2.69 -0.16 -0.30 2.45 0.00 0.11 0.68 120.51 120.60 2d85 n ALA 108 Ca -0.15 0.21 0.14 0.00 0.00 0.00 0.00 53.44 53.64 2d85 n ALA 108 Cb 0.93 0.26 0.30 0.00 0.00 0.00 0.00 19.45 20.94 2d85 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 n LEU 110 N -5.28 0.11 0.02 0.00 4.77 0.19 -3.17 117.00 113.64 2d85 n LEU 110 Ca 0.22 0.73 0.18 0.00 -0.03 0.00 0.00 56.01 57.12 2d85 n LEU 110 Cb 0.72 -0.46 0.39 0.00 -2.33 0.00 0.00 43.42 41.74 2d85 n LEU 110 CO 0.03 -0.46 1.17 0.00 -1.33 0.00 0.00 177.39 176.80 2d85 h MET 111 N 0.00 0.00 -1.28 3.23 -0.00 0.56 -1.33 114.93 116.11 2d85 h MET 111 Ca 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 59.70 60.07 2d85 h MET 111 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.55 2d85 h MET 111 CO 0.00 0.00 1.23 0.41 -0.00 0.00 0.00 176.91 178.55 2d85 n GLY 112 N -1.59 -0.79 0.18 -3.00 0.00 0.97 0.12 105.19 101.08 2d85 n GLY 112 Ca 0.13 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 2d85 n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d85 h LYS 113 N 0.00 0.56 -1.19 1.61 1.57 -1.47 -2.62 116.57 115.03 2d85 h LYS 113 Ca 0.61 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 59.11 2d85 h LYS 113 Cb 3.06 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 35.18 2d85 h LYS 113 CO -0.01 0.52 0.24 0.41 -0.57 0.00 0.00 179.45 180.04 2d85 n GLY 114 N -0.81 3.06 3.28 3.86 0.00 0.33 -4.85 105.19 110.06 2d85 n GLY 114 Ca -0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.15 1.16 -0.55 1.61 0.00 -0.99 -4.14 119.30 115.25 2d85 s MET 115 Ca 0.20 -1.12 -0.20 0.00 0.00 0.00 0.00 55.69 54.57 2d85 s MET 115 Cb 0.16 -1.39 0.07 0.00 0.00 0.00 0.00 34.83 33.67 2d85 s MET 115 CO 0.02 0.33 0.74 0.21 0.00 0.00 0.00 175.02 176.32 2d85 s LYS 116 N -1.77 3.14 0.48 4.11 2.20 -1.26 -5.03 119.74 121.61 2d85 s LYS 116 Ca 0.06 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2d85 s LYS 116 Cb -0.10 -4.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.06 2d85 s LYS 116 CO 0.04 -1.40 0.02 1.03 -0.36 0.00 0.00 175.35 174.67 2d85 s ARG 117 N 3.05 2.11 0.45 4.03 0.52 -1.26 -5.02 118.95 122.83 2d85 s ARG 117 Ca 0.18 -2.32 0.18 0.00 -0.52 0.00 0.00 55.73 53.25 2d85 s ARG 117 Cb -0.19 -1.41 1.14 0.00 0.52 0.00 0.00 34.95 35.01 2d85 s ARG 117 CO 0.12 -0.33 1.92 -0.39 0.02 0.00 0.00 175.30 176.64 2d85 h VAL 118 N 1.49 0.76 -6.92 3.52 -1.51 -1.95 -3.45 116.25 108.18 2d85 h VAL 118 Ca -0.43 -0.11 -0.56 0.00 -1.23 0.00 0.00 66.70 64.37 2d85 h VAL 118 Cb 1.30 0.40 -0.15 0.00 -2.13 0.00 0.00 31.29 30.71 2d85 h VAL 118 CO 0.73 0.06 -0.89 -0.24 -1.23 0.00 0.00 177.57 176.00 2d85 n SER 119 N -4.45 -0.12 0.00 4.19 2.88 -1.26 -4.90 113.62 109.96 2d85 n SER 119 Ca 0.14 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 2d85 n SER 119 Cb 0.59 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2d85 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d85 n GLY 120 N -2.35 0.29 0.22 0.46 0.00 -1.26 -4.89 105.19 97.66 2d85 n GLY 120 Ca -0.26 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2d85 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d85 h PRO 121 N 0.00 0.00 -5.06 1.61 0.13 -2.04 -3.41 132.00 123.23 2d85 h PRO 121 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2d85 h PRO 121 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 2d85 h PRO 121 CO 0.00 0.24 -0.70 -1.54 -0.23 0.00 0.00 178.00 175.77 2d85 s SER 122 N -6.28 4.48 0.04 1.44 1.04 -1.26 -5.01 113.70 108.16 2d85 s SER 122 Ca -0.01 -0.32 -0.22 0.00 0.48 0.00 0.00 55.95 55.88 2d85 s SER 122 Cb 0.11 -1.76 -0.14 0.00 0.10 0.00 0.00 66.02 64.33 2d85 s SER 122 CO 0.64 0.02 1.47 0.28 0.98 0.00 0.00 173.24 176.63 2d85 h SER 123 N 7.82 0.17 0.00 7.02 0.02 -1.94 -3.40 113.55 123.24 2d85 h SER 123 Ca -0.38 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2d85 h SER 123 Cb 1.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2d85 h SER 123 CO 0.60 0.44 0.00 0.61 -1.14 0.00 0.00 176.83 177.34