#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 s SER 2 N 0.00 6.29 -0.99 1.61 0.15 -1.26 -5.01 113.70 114.49 2d85 s SER 2 Ca 0.00 -2.68 -0.23 0.00 0.70 0.00 0.00 55.95 53.74 2d85 s SER 2 Cb 0.00 -2.11 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 2d85 s SER 2 CO 0.00 -0.53 1.65 -0.44 1.20 0.00 0.00 173.24 175.12 2d85 s SER 3 N 1.83 6.01 0.00 5.45 0.01 -1.26 -4.62 113.70 121.11 2d85 s SER 3 Ca 0.17 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2d85 s SER 3 Cb -0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2d85 s SER 3 CO -0.07 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.23 2d85 n GLY 4 N 6.79 1.14 2.26 3.44 0.00 -1.26 -4.92 105.19 112.64 2d85 n GLY 4 Ca 0.36 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 2d85 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d85 n SER 5 N 0.00 5.90 -3.58 1.61 3.41 -1.26 -4.89 113.62 114.81 2d85 n SER 5 Ca 0.00 -3.76 -0.14 0.00 -0.26 0.00 0.00 58.87 54.71 2d85 n SER 5 Cb 0.00 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.29 2d85 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d85 s SER 6 N -2.87 -0.57 0.41 4.04 1.04 -1.26 -5.01 113.70 109.48 2d85 s SER 6 Ca 0.54 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.78 2d85 s SER 6 Cb 0.44 0.72 0.00 0.00 0.10 0.00 0.00 66.02 67.28 2d85 s SER 6 CO -0.05 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2d85 n GLY 7 N 1.43 -2.24 2.05 7.32 0.00 -1.26 -4.43 105.19 108.06 2d85 n GLY 7 Ca -0.15 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 2d85 n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2d85 n ASN 8 N -4.29 5.73 -0.06 1.61 6.94 -1.26 -4.51 115.26 119.42 2d85 n ASN 8 Ca -0.01 -3.77 -0.08 0.00 -0.02 0.00 0.00 54.58 50.70 2d85 n ASN 8 Cb 0.67 -0.70 -0.15 0.00 -2.36 0.00 0.00 39.78 37.24 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2d85 n ASP 9 N -0.89 0.43 0.05 0.53 9.92 -1.26 -4.26 116.55 121.06 2d85 n ASP 9 Ca 0.52 0.20 -0.06 0.00 -0.53 0.00 0.00 54.79 54.92 2d85 n ASP 9 Cb 0.89 0.52 -0.11 0.00 -0.64 0.00 0.00 41.12 41.77 2d85 n ASP 9 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2d85 h ASP 10 N 0.00 0.00 0.30 -2.24 3.58 -1.82 -3.26 116.42 112.98 2d85 h ASP 10 Ca -0.40 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 2d85 h ASP 10 Cb 2.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.13 2d85 h ASP 10 CO 0.05 0.95 -0.03 -0.29 -2.88 0.00 0.00 179.24 177.04 2d85 h ILE 11 N 0.00 0.21 -1.25 2.25 2.10 -1.85 -2.86 117.51 116.10 2d85 h ILE 11 Ca -0.08 -0.24 0.39 0.00 1.08 0.00 0.00 64.86 66.01 2d85 h ILE 11 Cb 1.79 1.19 -0.12 0.00 -1.09 0.00 0.00 36.82 38.60 2d85 h ILE 11 CO 0.11 0.03 0.81 0.40 -1.08 0.00 0.00 178.15 178.43 2d85 h ILE 12 N 0.00 0.23 0.13 2.19 2.04 -1.74 0.36 117.51 120.73 2d85 h ILE 12 Ca -0.00 -0.05 -0.18 0.00 1.00 0.00 0.00 64.86 65.63 2d85 h ILE 12 Cb 0.19 0.06 0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2d85 h ILE 12 CO 0.00 0.03 -0.80 0.58 0.00 0.00 0.00 178.15 177.96 2d85 h VAL 13 N 0.16 1.50 0.72 1.67 2.07 -1.78 -3.24 116.25 117.35 2d85 h VAL 13 Ca 0.75 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 2d85 h VAL 13 Cb 2.31 3.18 0.01 0.00 -1.52 0.00 0.00 31.29 35.27 2d85 h VAL 13 CO -0.36 0.71 -0.34 0.78 0.02 0.00 0.00 177.57 178.37 2d85 h ASN 14 N -0.41 -0.81 -0.76 0.57 4.21 -0.69 -1.73 115.58 115.96 2d85 h ASN 14 Ca -0.14 0.03 0.16 0.00 1.21 0.00 0.00 56.30 57.56 2d85 h ASN 14 Cb 1.61 0.21 -0.14 0.00 -1.12 0.00 0.00 38.32 38.88 2d85 h ASN 14 CO 0.13 -0.58 -0.10 -0.25 -1.29 0.00 0.00 177.43 175.35 2d85 h TRP 15 N -0.96 -0.24 0.29 1.19 7.01 -0.63 0.25 115.95 122.86 2d85 h TRP 15 Ca -0.10 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 2d85 h TRP 15 Cb 0.74 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 2d85 h TRP 15 CO -0.02 -0.29 -0.21 0.28 -2.79 0.00 0.00 178.44 175.41 2d85 h VAL 16 N 0.04 0.56 -0.29 2.65 2.07 -1.54 0.15 116.25 119.89 2d85 h VAL 16 Ca 0.39 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.98 2d85 h VAL 16 Cb 0.65 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 2d85 h VAL 16 CO -0.73 0.00 -0.20 0.78 0.02 0.00 0.00 177.57 177.44 2d85 h ASN 17 N -0.49 -0.65 0.79 0.57 2.35 -0.21 -1.97 115.58 115.97 2d85 h ASN 17 Ca -0.02 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2d85 h ASN 17 Cb 0.42 0.33 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 2d85 h ASN 17 CO 0.00 -0.24 -0.49 -0.33 -1.65 0.00 0.00 177.43 174.73 2d85 h GLU 18 N -0.18 -1.16 -1.00 0.81 4.39 -0.86 0.79 114.58 117.38 2d85 h GLU 18 Ca 0.15 0.08 0.35 0.00 0.34 0.00 0.00 59.36 60.28 2d85 h GLU 18 Cb 0.41 0.26 -0.18 0.00 -0.10 0.00 0.00 28.75 29.14 2d85 h GLU 18 CO -0.39 -0.77 0.30 1.15 -1.16 0.00 0.00 179.01 178.14 2d85 h THR 19 N -1.20 0.02 -0.06 1.13 2.02 -0.71 0.55 112.91 114.66 2d85 h THR 19 Ca -0.11 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 2d85 h THR 19 Cb 0.96 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2d85 h THR 19 CO 0.10 0.00 -0.38 -0.07 0.37 0.00 0.00 175.52 175.55 2d85 h LEU 20 N 0.01 0.44 -0.24 2.58 3.38 -0.99 -3.09 115.31 117.40 2d85 h LEU 20 Ca 0.73 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2d85 h LEU 20 Cb 1.76 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.33 2d85 h LEU 20 CO -0.84 1.04 -0.09 -0.09 0.09 0.00 0.00 178.44 178.55 2d85 h ARG 21 N -0.13 -0.05 -0.95 1.13 9.65 0.24 0.45 114.38 124.72 2d85 h ARG 21 Ca -0.03 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.97 2d85 h ARG 21 Cb 1.04 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.56 2d85 h ARG 21 CO 0.08 -0.03 0.61 0.93 2.80 0.00 0.00 179.97 184.35 2d85 h GLU 22 N -0.05 0.88 0.00 0.20 5.08 -0.79 0.18 114.58 120.08 2d85 h GLU 22 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2d85 h GLU 22 Cb 0.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2d85 h GLU 22 CO -0.27 0.58 -0.19 0.00 -1.00 0.00 0.00 179.01 178.13 2d85 n ALA 23 N -2.38 2.61 -2.75 3.43 0.00 -0.55 -4.94 120.51 115.92 2d85 n ALA 23 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2d85 n ALA 23 Cb 0.36 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.86 -2.83 -3.46 0.00 -0.58 0.14 -5.03 120.64 107.01 2d85 n GLU 24 Ca 0.06 0.32 -0.35 0.00 -0.42 0.00 0.00 57.16 56.77 2d85 n GLU 24 Cb 0.39 -3.80 -0.06 0.00 -0.57 0.00 0.00 31.44 27.40 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2d85 s LYS 25 N -5.04 3.87 0.00 3.49 3.01 -0.14 -4.97 119.74 119.96 2d85 s LYS 25 Ca 0.12 0.33 0.09 0.00 -1.01 0.00 0.00 55.97 55.50 2d85 s LYS 25 Cb -0.05 -2.96 0.32 0.00 -1.01 0.00 0.00 37.83 34.13 2d85 s LYS 25 CO 0.28 0.51 1.24 0.45 0.51 0.00 0.00 175.35 178.35 2d85 n SER 26 N 0.83 1.03 -4.83 2.83 2.88 -1.26 -4.68 113.62 110.42 2d85 n SER 26 Ca -0.06 -1.91 -0.30 0.00 -1.33 0.00 0.00 58.87 55.26 2d85 n SER 26 Cb 0.52 -0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.12 5.85 0.03 -3.46 0.01 -1.26 -5.08 113.70 108.68 2d85 s SER 27 Ca 0.17 0.10 -0.27 0.00 1.31 0.00 0.00 55.95 57.25 2d85 s SER 27 Cb 0.09 -1.67 0.09 0.00 0.21 0.00 0.00 66.02 64.74 2d85 s SER 27 CO 0.12 0.17 1.23 -0.94 0.41 0.00 0.00 173.24 174.22 2d85 s SER 28 N -2.47 -0.01 -0.03 2.44 1.04 -1.26 -4.85 113.70 108.57 2d85 s SER 28 Ca 0.32 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 2d85 s SER 28 Cb -0.12 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.23 2d85 s SER 28 CO 0.24 -0.46 0.10 0.27 0.98 0.00 0.00 173.24 174.38 2d85 s ILE 29 N -2.13 0.03 -0.05 -1.02 -4.36 -1.26 -4.57 121.20 107.84 2d85 s ILE 29 Ca 0.25 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 2d85 s ILE 29 Cb -0.00 -0.24 -0.26 0.00 1.25 0.00 0.00 42.46 43.21 2d85 s ILE 29 CO 0.00 -0.14 0.64 0.28 0.24 0.00 0.00 174.94 175.96 2d85 h SER 30 N 5.43 0.29 -4.94 4.36 0.02 -1.96 -3.47 113.55 113.28 2d85 h SER 30 Ca -0.27 -0.52 0.15 0.00 -0.84 0.00 0.00 61.79 60.30 2d85 h SER 30 Cb 1.20 -0.09 -0.12 0.00 0.14 0.00 0.00 62.40 63.52 2d85 h SER 30 CO 0.43 1.46 0.51 -0.94 -1.14 0.00 0.00 176.83 177.14 2d85 s SER 31 N -6.75 -0.28 0.49 3.07 1.04 -1.26 -5.00 113.70 105.01 2d85 s SER 31 Ca -0.12 -0.16 0.38 0.00 0.48 0.00 0.00 55.95 56.53 2d85 s SER 31 Cb 0.07 0.41 1.55 0.00 0.10 0.00 0.00 66.02 68.15 2d85 s SER 31 CO 0.82 -0.71 1.62 -0.26 0.98 0.00 0.00 173.24 175.69 2d85 h PHE 32 N 2.00 0.29 -0.87 5.02 0.04 -2.00 1.16 116.94 122.59 2d85 h PHE 32 Ca -0.23 0.01 -0.57 0.00 2.80 0.00 0.00 57.97 59.98 2d85 h PHE 32 Cb 1.23 -0.07 -0.24 0.00 2.20 0.00 0.00 35.95 39.07 2d85 h PHE 32 CO 0.31 -0.12 0.74 1.63 -0.60 0.00 0.00 178.31 180.27 2d85 n LYS 33 N -4.38 2.42 -2.69 1.51 5.02 -1.26 -4.77 118.16 114.00 2d85 n LYS 33 Ca 0.39 -2.77 -0.40 0.00 -2.02 0.00 0.00 58.31 53.51 2d85 n LYS 33 Cb 1.63 -2.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.19 7.56 0.14 4.39 -1.08 0.40 -4.97 116.67 121.92 2d85 s ASP 34 Ca 0.54 2.00 -0.11 0.00 -0.52 0.00 0.00 52.55 54.46 2d85 s ASP 34 Cb 0.43 -2.61 -0.05 0.00 -1.46 0.00 0.00 42.92 39.23 2d85 s ASP 34 CO -0.02 0.08 1.47 1.55 0.52 0.00 0.00 175.17 178.77 2d85 h PRO 35 N 4.24 0.92 -0.21 4.34 0.13 -1.93 -2.97 132.00 136.51 2d85 h PRO 35 Ca -0.45 -0.48 0.06 0.00 -0.87 0.00 0.00 66.00 64.26 2d85 h PRO 35 Cb 1.20 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2d85 h PRO 35 CO 0.68 1.14 0.29 0.87 -0.23 0.00 0.00 178.00 180.75 2d85 h LYS 36 N 0.73 0.00 0.00 0.86 6.56 -1.93 0.20 116.57 122.99 2d85 h LYS 36 Ca 0.06 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 2d85 h LYS 36 Cb 0.96 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.62 2d85 h LYS 36 CO 0.09 0.00 -0.20 0.82 -2.06 0.00 0.00 179.45 178.10 2d85 h ILE 37 N 0.00 0.86 0.00 1.86 2.04 -1.83 -2.34 117.51 118.09 2d85 h ILE 37 Ca 0.10 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2d85 h ILE 37 Cb 0.69 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2d85 h ILE 37 CO -0.00 0.20 -0.05 0.77 0.00 0.00 0.00 178.15 179.07 2d85 h SER 38 N 0.00 0.00 0.32 1.72 4.64 -0.75 -0.54 113.55 118.93 2d85 h SER 38 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2d85 h SER 38 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2d85 h SER 38 CO 0.03 0.05 -0.54 0.35 -0.87 0.00 0.00 176.83 175.84 2d85 n THR 39 N -4.42 0.00 -1.92 2.95 -2.24 -0.89 -4.43 114.28 103.33 2d85 n THR 39 Ca -0.03 -0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2d85 n THR 39 Cb 0.13 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 2d85 n THR 39 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2d85 n SER 40 N -1.23 -3.82 0.10 3.42 2.88 -0.21 -4.70 113.62 110.07 2d85 n SER 40 Ca 0.07 0.08 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 2d85 n SER 40 Cb 0.35 -2.80 -0.08 0.00 -0.75 0.00 0.00 64.21 60.92 2d85 n SER 40 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2d85 h LEU 41 N 0.00 -0.25 -1.37 2.46 3.38 -1.79 -1.92 115.31 115.81 2d85 h LEU 41 Ca -0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 2d85 h LEU 41 Cb 1.03 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2d85 h LEU 41 CO 0.31 0.18 -0.16 1.55 0.09 0.00 0.00 178.44 180.41 2d85 h PRO 42 N -0.75 0.00 0.00 1.13 0.13 -1.81 -1.06 132.00 129.64 2d85 h PRO 42 Ca -0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 2d85 h PRO 42 Cb 0.50 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 2d85 h PRO 42 CO 0.05 0.16 -0.80 0.28 -0.23 0.00 0.00 178.00 177.46 2d85 h VAL 43 N 0.00 1.31 0.00 1.56 2.07 -1.91 -2.69 116.25 116.59 2d85 h VAL 43 Ca -0.00 -2.87 -0.11 0.00 0.82 0.00 0.00 66.70 64.54 2d85 h VAL 43 Cb 0.61 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2d85 h VAL 43 CO 0.02 0.75 -0.73 -0.07 0.02 0.00 0.00 177.57 177.55 2d85 h LEU 44 N 0.00 0.00 -1.44 2.57 3.38 -1.09 -3.33 115.31 115.40 2d85 h LEU 44 Ca -0.01 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2d85 h LEU 44 Cb 1.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 2d85 h LEU 44 CO 0.10 1.13 0.41 0.44 0.09 0.00 0.00 178.44 180.61 2d85 h ASP 45 N -1.00 0.63 -0.44 -0.43 5.19 -1.36 -2.14 116.42 116.87 2d85 h ASP 45 Ca -0.17 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.28 2d85 h ASP 45 Cb 0.94 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.26 2d85 h ASP 45 CO -0.10 0.44 0.19 0.25 -3.12 0.00 0.00 179.24 176.89 2d85 h LEU 46 N 0.73 0.25 0.25 1.55 5.85 -1.64 -0.42 115.31 121.88 2d85 h LEU 46 Ca 0.24 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2d85 h LEU 46 Cb 0.06 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2d85 h LEU 46 CO -0.07 0.18 -0.12 0.40 -0.34 0.00 0.00 178.44 178.49 2d85 h ILE 47 N 0.39 0.80 -0.53 4.05 2.04 -1.52 -3.22 117.51 119.52 2d85 h ILE 47 Ca 0.20 -0.59 0.11 0.00 1.00 0.00 0.00 64.86 65.57 2d85 h ILE 47 Cb 0.15 1.13 -0.10 0.00 -0.74 0.00 0.00 36.82 37.25 2d85 h ILE 47 CO -0.17 0.12 -0.15 -0.78 0.00 0.00 0.00 178.15 177.17 2d85 h ASP 48 N -0.66 -0.56 -0.98 1.72 3.58 -1.25 -0.26 116.42 118.02 2d85 h ASP 48 Ca -0.03 0.17 0.31 0.00 0.42 0.00 0.00 57.03 57.89 2d85 h ASP 48 Cb 0.46 0.35 -0.18 0.00 1.72 0.00 0.00 39.33 41.69 2d85 h ASP 48 CO 0.06 -0.19 0.18 0.00 -2.88 0.00 0.00 179.24 176.40 2d85 h ALA 49 N 1.47 1.44 0.31 -0.78 0.00 -1.08 -1.43 119.26 119.19 2d85 h ALA 49 Ca 0.25 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 2d85 h ALA 49 Cb 0.41 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2d85 h ALA 49 CO -0.56 -0.66 -0.15 0.82 0.00 0.00 0.00 179.25 178.70 2d85 h ILE 50 N 0.03 0.00 -3.48 0.00 2.04 -1.13 -3.42 117.51 111.55 2d85 h ILE 50 Ca 0.66 -0.63 -0.70 0.00 1.00 0.00 0.00 64.86 65.19 2d85 h ILE 50 Cb 1.48 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 37.23 2d85 h ILE 50 CO -0.86 0.00 -0.44 -1.58 0.00 0.00 0.00 178.15 175.27 2d85 s GLN 51 N -2.92 2.32 0.19 2.37 2.00 -0.59 -5.08 119.66 117.96 2d85 s GLN 51 Ca -0.06 -2.05 -0.30 0.00 -2.00 0.00 0.00 55.36 50.95 2d85 s GLN 51 Cb 0.01 -3.72 -0.09 0.00 0.80 0.00 0.00 33.01 30.01 2d85 s GLN 51 CO 0.18 -1.14 1.31 -1.25 -0.50 0.00 0.00 175.29 173.89 2d85 s PRO 52 N 0.78 4.39 0.00 1.67 0.04 -0.93 -3.45 135.00 137.51 2d85 s PRO 52 Ca 0.11 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2d85 s PRO 52 Cb -0.22 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2d85 s PRO 52 CO -0.03 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.16 2d85 n GLY 53 N 2.39 1.45 0.18 0.56 0.00 -1.26 -4.98 105.19 103.52 2d85 n GLY 53 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 2d85 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d85 h SER 54 N 1.04 -0.36 -3.79 1.61 0.02 -1.92 -3.44 113.55 106.70 2d85 h SER 54 Ca 0.00 0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.45 2d85 h SER 54 Cb 0.00 0.09 0.03 0.00 0.14 0.00 0.00 62.40 62.66 2d85 h SER 54 CO 0.00 -0.15 0.53 -0.63 -1.14 0.00 0.00 176.83 175.44 2d85 s ILE 55 N -3.24 3.28 -0.25 3.27 -1.09 -1.26 -5.03 121.20 116.87 2d85 s ILE 55 Ca -0.06 1.26 -0.02 0.00 -2.23 0.00 0.00 60.65 59.60 2d85 s ILE 55 Cb 0.01 -3.80 0.08 0.00 -1.58 0.00 0.00 42.46 37.16 2d85 s ILE 55 CO 0.19 0.29 0.08 0.21 -1.23 0.00 0.00 174.94 174.48 2d85 s ASN 56 N -0.67 3.42 0.35 3.58 2.47 -1.26 -5.00 114.94 117.83 2d85 s ASN 56 Ca 0.46 -1.20 0.12 0.00 0.42 0.00 0.00 52.86 52.66 2d85 s ASN 56 Cb -0.34 -0.63 0.92 0.00 -1.45 0.00 0.00 41.25 39.75 2d85 s ASN 56 CO 0.44 -0.37 1.78 1.88 -3.72 0.00 0.00 177.10 177.11 2d85 h TYR 57 N 8.23 0.86 -1.13 0.43 -1.99 -1.96 0.12 116.97 121.54 2d85 h TYR 57 Ca -0.16 0.03 0.32 0.00 2.00 0.00 0.00 58.73 60.92 2d85 h TYR 57 Cb 1.06 -0.26 -0.10 0.00 2.00 0.00 0.00 36.73 39.43 2d85 h TYR 57 CO 0.31 0.15 0.73 0.22 -0.00 0.00 0.00 178.16 179.56 2d85 h ASP 58 N 0.58 0.37 0.33 3.88 3.58 -2.01 0.12 116.42 123.27 2d85 h ASP 58 Ca 0.57 0.10 -0.33 0.00 0.42 0.00 0.00 57.03 57.80 2d85 h ASP 58 Cb 1.15 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 2d85 h ASP 58 CO -0.33 -0.00 -1.77 -0.07 -2.88 0.00 0.00 179.24 174.18 2d85 h LEU 59 N 0.29 0.28-10.25 2.28 3.38 -1.21 -3.47 115.31 106.61 2d85 h LEU 59 Ca 0.66 -0.54 -0.50 0.00 0.09 0.00 0.00 57.88 57.59 2d85 h LEU 59 Cb 1.85 -0.09 0.19 0.00 0.09 0.00 0.00 40.66 42.70 2d85 h LEU 59 CO -0.33 1.48 0.18 -0.76 0.09 0.00 0.00 178.44 179.10 2d85 s LEU 60 N -6.73 2.35 -0.11 1.67 1.43 0.40 -5.01 118.68 112.67 2d85 s LEU 60 Ca -0.13 1.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 2d85 s LEU 60 Cb 0.07 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 2d85 s LEU 60 CO 0.81 -3.26 -0.26 0.29 0.23 0.00 0.00 176.35 174.16 2d85 n LYS 61 N -4.32 0.39 -2.16 1.70 4.01 -1.26 -4.93 118.16 111.58 2d85 n LYS 61 Ca 0.09 0.15 -0.04 0.00 -0.51 0.00 0.00 58.31 58.01 2d85 n LYS 61 Cb 0.53 -1.18 -0.00 0.00 -0.51 0.00 0.00 35.03 33.86 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 -4.15 -0.13 -3.66 -0.18 5.66 -1.26 -4.86 114.28 105.69 2d85 n THR 62 Ca -0.10 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.66 2d85 n THR 62 Cb 0.38 -0.47 -0.17 0.00 -1.55 0.00 0.00 70.33 68.52 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 -4.37 0.13 -1.45 1.09 -1.05 -1.26 -4.88 118.70 106.90 2d85 s GLU 63 Ca 0.00 0.07 -0.06 0.00 -0.15 0.00 0.00 54.97 54.84 2d85 s GLU 63 Cb 0.00 -1.28 0.06 0.00 -0.44 0.00 0.00 34.13 32.47 2d85 s GLU 63 CO 0.00 -0.50 0.14 0.09 0.95 0.00 0.00 175.26 175.94 2d85 n ASN 64 N 5.25 0.18 -4.72 0.83 3.02 -1.26 -4.83 115.26 113.73 2d85 n ASN 64 Ca -0.06 -1.12 -0.35 0.00 -0.03 0.00 0.00 54.58 53.02 2d85 n ASN 64 Cb 0.49 -1.41 0.09 0.00 -0.61 0.00 0.00 39.78 38.35 2d85 n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2d85 s LEU 65 N -6.78 3.38 0.28 3.41 1.43 -1.26 -5.04 118.68 114.09 2d85 s LEU 65 Ca 0.20 2.44 0.06 0.00 -1.03 0.00 0.00 54.13 55.80 2d85 s LEU 65 Cb -0.12 -4.60 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 2d85 s LEU 65 CO 0.89 -2.24 -0.03 0.54 0.23 0.00 0.00 176.35 175.75 2d85 s ASN 66 N -1.84 2.52 0.29 2.29 4.22 -1.26 -4.84 114.94 116.32 2d85 s ASN 66 Ca 0.77 -1.23 0.18 0.00 -2.14 0.00 0.00 52.86 50.44 2d85 s ASN 66 Cb -0.32 -0.12 1.02 0.00 1.28 0.00 0.00 41.25 43.11 2d85 s ASN 66 CO 0.44 -0.42 1.15 -0.67 -2.04 0.00 0.00 177.10 175.56 2d85 n ASP 67 N -0.57 0.23 0.00 3.54 2.03 -1.26 0.24 116.55 120.76 2d85 n ASP 67 Ca -0.05 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2d85 n ASP 67 Cb 0.64 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2d85 n ASP 67 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2d85 n ASP 68 N -4.51 0.00 -0.18 1.67 2.03 -1.26 -3.41 116.55 110.89 2d85 n ASP 68 Ca 0.28 0.64 -0.06 0.00 0.52 0.00 0.00 54.79 56.18 2d85 n ASP 68 Cb 1.00 -0.46 -0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2d85 n ASP 68 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2d85 h GLU 69 N 0.00 -0.19 -0.86 -0.67 5.08 -1.46 -1.00 114.58 115.48 2d85 h GLU 69 Ca 0.00 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 2d85 h GLU 69 Cb 0.00 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.15 2d85 h GLU 69 CO 0.00 -0.13 -0.30 1.63 -1.00 0.00 0.00 179.01 179.21 2d85 n LYS 70 N -5.43 -0.16 0.07 2.33 5.02 0.14 0.16 118.16 120.28 2d85 n LYS 70 Ca 0.03 1.33 -0.12 0.00 -2.02 0.00 0.00 58.31 57.53 2d85 n LYS 70 Cb 0.35 -1.98 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 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 -0.87 -0.88 -0.35 5.85 -1.20 -1.60 115.31 116.26 2d85 h LEU 71 Ca 0.33 0.11 0.23 0.00 0.84 0.00 0.00 57.88 59.39 2d85 h LEU 71 Cb 0.55 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 41.80 2d85 h LEU 71 CO -0.86 -0.36 0.34 0.78 -0.34 0.00 0.00 178.44 177.99 2d85 h ASN 72 N -0.45 0.21 -0.21 1.25 2.35 -0.14 0.10 115.58 118.69 2d85 h ASN 72 Ca 0.06 0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2d85 h ASN 72 Cb 0.53 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 2d85 h ASN 72 CO -0.24 -0.06 0.12 0.78 -1.65 0.00 0.00 177.43 176.37 2d85 h ASN 73 N 0.32 0.26 -0.33 5.81 4.21 -0.41 -2.00 115.58 123.45 2d85 h ASN 73 Ca 0.56 -0.07 0.03 0.00 1.21 0.00 0.00 56.30 58.02 2d85 h ASN 73 Cb 1.09 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 38.19 2d85 h ASN 73 CO -0.57 0.26 0.15 0.00 -1.29 0.00 0.00 177.43 175.97 2d85 h ALA 74 N 1.01 0.39 -0.52 -0.83 0.00 -0.10 -1.71 119.26 117.50 2d85 h ALA 74 Ca 0.07 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2d85 h ALA 74 Cb 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2d85 h ALA 74 CO -0.01 -0.24 0.23 0.87 0.00 0.00 0.00 179.25 180.10 2d85 h LYS 75 N 0.31 0.44 -0.58 0.00 1.57 -0.96 -0.85 116.57 116.50 2d85 h LYS 75 Ca 0.14 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2d85 h LYS 75 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2d85 h LYS 75 CO -0.11 0.29 0.33 -0.92 -0.57 0.00 0.00 179.45 178.46 2d85 h TYR 76 N 0.45 0.77 0.51 -1.35 3.20 -0.94 0.23 116.97 119.83 2d85 h TYR 76 Ca 0.24 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 2d85 h TYR 76 Cb 0.21 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2d85 h TYR 76 CO -0.13 0.53 -0.24 0.00 -1.64 0.00 0.00 178.16 176.68 2d85 h ALA 77 N 1.56 -0.68 -0.89 1.82 0.00 -0.35 -2.91 119.26 117.81 2d85 h ALA 77 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2d85 h ALA 77 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2d85 h ALA 77 CO -0.04 -0.71 0.52 0.82 0.00 0.00 0.00 179.25 179.85 2d85 h ILE 78 N -1.03 1.25 -0.02 0.00 2.04 -1.10 -3.06 117.51 115.58 2d85 h ILE 78 Ca -0.07 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2d85 h ILE 78 Cb 0.61 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2d85 h ILE 78 CO 0.11 0.27 -0.34 -1.28 0.00 0.00 0.00 178.15 176.92 2d85 h SER 79 N 1.24 -1.05 -0.93 1.72 0.87 -0.57 -1.30 113.55 113.52 2d85 h SER 79 Ca 0.32 0.12 0.26 0.00 -1.23 0.00 0.00 61.79 61.26 2d85 h SER 79 Cb -0.03 0.40 -0.14 0.00 -0.44 0.00 0.00 62.40 62.19 2d85 h SER 79 CO -0.06 -0.32 0.38 0.24 -0.53 0.00 0.00 176.83 176.54 2d85 h MET 80 N -0.41 0.28 -0.73 2.24 2.86 -1.47 0.80 114.93 118.51 2d85 h MET 80 Ca 0.01 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.78 2d85 h MET 80 Cb 0.44 -0.06 -0.14 0.00 0.06 0.00 0.00 31.60 31.90 2d85 h MET 80 CO -0.24 0.19 -0.18 0.00 1.06 0.00 0.00 176.91 177.74 2d85 h ALA 81 N 1.79 0.49 -0.22 6.32 0.00 -1.14 -0.13 119.26 126.37 2d85 h ALA 81 Ca 0.61 0.28 -0.13 0.00 0.00 0.00 0.00 54.91 55.68 2d85 h ALA 81 Cb 1.28 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2d85 h ALA 81 CO -0.61 -0.41 -0.38 -0.09 0.00 0.00 0.00 179.25 177.76 2d85 h ARG 82 N 0.00 0.64 -0.61 0.00 2.43 -0.72 -1.60 114.38 114.52 2d85 h ARG 82 Ca 0.35 -0.40 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2d85 h ARG 82 Cb 0.54 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.01 2d85 h ARG 82 CO -0.75 1.01 -0.33 0.87 -1.51 0.00 0.00 179.97 179.26 2d85 h LYS 83 N 0.34 -0.14 0.00 0.20 6.56 -0.31 0.36 116.57 123.57 2d85 h LYS 83 Ca 0.01 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.60 2d85 h LYS 83 Cb 0.97 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.66 2d85 h LYS 83 CO 0.09 -0.10 -0.08 -0.84 -2.06 0.00 0.00 179.45 176.46 2d85 h ILE 84 N -0.15 0.16 0.00 1.86 3.07 -1.33 -3.47 117.51 117.64 2d85 h ILE 84 Ca 0.24 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.67 2d85 h ILE 84 Cb 0.55 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2d85 h ILE 84 CO -0.70 0.08 0.00 0.61 -1.05 0.00 0.00 178.15 177.09 2d85 n GLY 85 N 0.65 1.65 3.15 0.16 0.00 0.13 -5.12 105.19 105.80 2d85 n GLY 85 Ca 0.02 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.52 -0.16 4.61 0.00 -0.67 -4.80 121.76 117.21 2d85 s ALA 86 Ca 0.00 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.19 2d85 s ALA 86 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2d85 s ALA 86 CO 0.00 -1.52 0.48 -0.98 0.00 0.00 0.00 175.76 173.74 2d85 s ARG 87 N 2.96 4.26 0.09 0.00 1.70 -1.26 -3.14 118.95 123.55 2d85 s ARG 87 Ca 0.01 0.39 0.04 0.00 -0.47 0.00 0.00 55.73 55.69 2d85 s ARG 87 Cb -0.09 -3.50 -0.03 0.00 -0.57 0.00 0.00 34.95 30.75 2d85 s ARG 87 CO -0.12 0.01 -0.10 0.54 -1.08 0.00 0.00 175.30 174.56 2d85 s VAL 88 N 1.11 0.90 -0.48 4.99 0.11 -1.26 -4.86 120.40 120.91 2d85 s VAL 88 Ca 0.24 -1.59 0.05 0.00 -2.93 0.00 0.00 61.98 57.75 2d85 s VAL 88 Cb -0.15 -1.29 0.40 0.00 -1.53 0.00 0.00 36.38 33.81 2d85 s VAL 88 CO 0.09 -0.54 1.09 0.00 -3.33 0.00 0.00 175.10 172.42 2d85 n TYR 89 N 0.65 3.55 -4.03 1.54 4.19 -1.26 -5.03 117.16 116.76 2d85 n TYR 89 Ca -0.17 -3.29 -0.11 0.00 3.31 0.00 0.00 57.90 57.65 2d85 n TYR 89 Cb 0.57 -0.18 -0.11 0.00 0.49 0.00 0.00 39.34 40.11 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2d85 s ALA 90 N -3.54 0.39 -0.06 2.98 0.00 -1.26 -5.01 121.76 115.26 2d85 s ALA 90 Ca 0.48 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 2d85 s ALA 90 Cb 0.37 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 2d85 s ALA 90 CO -0.18 -0.13 0.35 -1.17 0.00 0.00 0.00 175.76 174.63 2d85 s LEU 91 N -1.73 4.41 0.47 0.00 2.96 -1.26 -4.98 118.68 118.55 2d85 s LEU 91 Ca -0.10 0.80 0.31 0.00 -0.22 0.00 0.00 54.13 54.92 2d85 s LEU 91 Cb -0.08 -2.48 1.29 0.00 0.50 0.00 0.00 46.19 45.42 2d85 s LEU 91 CO -0.01 0.27 1.92 1.55 -1.32 0.00 0.00 176.35 178.75 2d85 h PRO 92 N 5.25 0.00 -0.19 0.98 0.13 -1.93 -2.90 132.00 133.34 2d85 h PRO 92 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2d85 h PRO 92 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2d85 h PRO 92 CO 0.64 0.00 -0.35 1.05 -0.23 0.00 0.00 178.00 179.12 2d85 h GLU 93 N 0.00 0.41 0.04 0.86 -0.00 -1.94 -3.08 114.58 110.87 2d85 h GLU 93 Ca 0.00 -0.18 -0.27 0.00 -0.00 0.00 0.00 59.36 58.91 2d85 h GLU 93 Cb 0.45 -0.01 0.02 0.00 -0.00 0.00 0.00 28.75 29.21 2d85 h GLU 93 CO 0.00 0.70 -1.08 0.38 -0.00 0.00 0.00 179.01 179.01 2d85 h ASP 94 N 0.35 0.81 -0.46 3.06 3.04 -1.94 -3.19 116.42 118.08 2d85 h ASP 94 Ca 0.04 -0.68 0.13 0.00 -3.24 0.00 0.00 57.03 53.29 2d85 h ASP 94 Cb 0.78 -0.25 -0.02 0.00 -1.04 0.00 0.00 39.33 38.80 2d85 h ASP 94 CO 0.06 1.48 0.43 0.25 -2.04 0.00 0.00 179.24 179.42 2d85 h LEU 95 N 0.32 0.00 -1.34 0.15 5.85 -1.54 0.58 115.31 119.33 2d85 h LEU 95 Ca -0.13 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.64 2d85 h LEU 95 Cb 1.74 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.72 2d85 h LEU 95 CO 0.21 0.00 0.49 0.58 -0.34 0.00 0.00 178.44 179.37 2d85 h VAL 96 N 0.00 1.05 -0.60 1.05 2.07 -1.54 -0.21 116.25 118.06 2d85 h VAL 96 Ca 0.22 -0.28 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 2d85 h VAL 96 Cb 1.08 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 30.88 2d85 h VAL 96 CO -0.00 0.15 0.27 -0.62 0.02 0.00 0.00 177.57 177.38 2d85 n GLU 97 N -4.47 2.86 -4.16 1.57 1.02 0.19 -4.17 120.64 113.47 2d85 n GLU 97 Ca 0.11 -2.31 -0.38 0.00 -0.02 0.00 0.00 57.16 54.56 2d85 n GLU 97 Cb 0.20 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 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 -0.18 -2.12 -3.01 2.62 0.31 -0.09 -4.87 118.33 111.00 2d85 n VAL 98 Ca 0.34 -0.57 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 2d85 n VAL 98 Cb 1.19 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 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 -3.96 6.48 0.00 4.52 0.01 -1.23 -4.87 114.94 115.89 2d85 s ASN 99 Ca 0.24 0.19 0.15 0.00 -0.71 0.00 0.00 52.86 52.74 2d85 s ASN 99 Cb -0.13 -2.37 0.79 0.00 0.41 0.00 0.00 41.25 39.94 2d85 s ASN 99 CO 0.98 -0.72 1.39 -0.81 -1.51 0.00 0.00 177.10 176.42 2d85 n PRO 100 N 6.35 0.27 -0.03 -0.60 -0.04 -1.26 -2.00 135.00 137.70 2d85 n PRO 100 Ca 0.01 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 2d85 n PRO 100 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.32 0.02 0.54 1.57 -1.99 -3.26 116.57 113.77 2d85 h LYS 101 Ca 0.00 -0.28 -0.33 0.00 -1.87 0.00 0.00 60.65 58.17 2d85 h LYS 101 Cb 0.11 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 2d85 h LYS 101 CO 0.00 0.94 -1.95 -1.33 -0.57 0.00 0.00 179.45 176.53 2d85 n MET 102 N -4.41 0.67 0.00 3.15 2.81 -1.16 -3.99 117.12 114.19 2d85 n MET 102 Ca -0.09 0.21 0.01 0.00 -1.81 0.00 0.00 57.70 56.02 2d85 n MET 102 Cb 0.52 -1.70 0.03 0.00 -0.71 0.00 0.00 33.22 31.36 2d85 n MET 102 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2d85 n VAL 103 N -3.06 1.71 -0.31 2.03 0.31 -0.85 -2.58 118.33 115.59 2d85 n VAL 103 Ca -0.24 0.43 0.09 0.00 -0.01 0.00 0.00 64.34 64.60 2d85 n VAL 103 Cb 1.07 -1.41 0.25 0.00 -0.91 0.00 0.00 33.84 32.85 2d85 n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d85 h MET 104 N 0.00 0.62 0.01 5.55 -0.00 -1.69 -2.71 114.93 116.72 2d85 h MET 104 Ca 0.00 -0.04 -0.36 0.00 -0.00 0.00 0.00 59.70 59.30 2d85 h MET 104 Cb 0.02 -0.14 -0.06 0.00 -0.00 0.00 0.00 31.60 31.42 2d85 h MET 104 CO 0.00 0.41 -2.24 0.25 -0.00 0.00 0.00 176.91 175.33 2d85 n THR 105 N -4.86 1.49 -0.33 -0.10 -2.24 -1.06 -3.79 114.28 103.39 2d85 n THR 105 Ca 0.19 -0.76 -0.09 0.00 -2.27 0.00 0.00 64.05 61.12 2d85 n THR 105 Cb 0.48 -0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 67.70 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 -3.00 -0.54 -0.03 2.28 0.31 -1.03 -0.82 118.33 115.50 2d85 n VAL 106 Ca -0.33 2.06 -0.15 0.00 -0.01 0.00 0.00 64.34 65.92 2d85 n VAL 106 Cb 1.09 -2.57 -0.11 0.00 -0.91 0.00 0.00 33.84 31.34 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 0.22 -0.34 3.52 0.04 -1.77 -3.34 116.94 115.28 2d85 h PHE 107 Ca 0.13 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.82 2d85 h PHE 107 Cb 0.32 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2d85 h PHE 107 CO -0.91 0.88 -0.20 0.00 -0.60 0.00 0.00 178.31 177.48 2d85 n ALA 108 N -2.51 -0.21 -0.46 2.45 0.00 -0.68 0.14 120.51 119.23 2d85 n ALA 108 Ca -0.09 0.29 0.38 0.00 0.00 0.00 0.00 53.44 54.01 2d85 n ALA 108 Cb 0.46 0.24 0.66 0.00 0.00 0.00 0.00 19.45 20.82 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 -4.59 0.24 -0.58 0.00 4.77 0.36 -4.05 117.00 113.16 2d85 n LEU 110 Ca 0.37 0.38 0.47 0.00 -0.03 0.00 0.00 56.01 57.19 2d85 n LEU 110 Cb 1.45 -0.45 0.75 0.00 -2.33 0.00 0.00 43.42 42.83 2d85 n LEU 110 CO 0.24 -0.45 1.44 0.00 -1.33 0.00 0.00 177.39 177.29 2d85 h MET 111 N 0.00 0.00 -1.43 3.23 -0.00 0.74 0.35 114.93 117.82 2d85 h MET 111 Ca 0.00 0.00 0.42 0.00 -0.00 0.00 0.00 59.70 60.12 2d85 h MET 111 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 31.54 2d85 h MET 111 CO 0.00 0.00 1.30 0.41 -0.00 0.00 0.00 176.91 178.62 2d85 n GLY 112 N -1.87 -0.85 0.23 -3.00 0.00 0.13 0.79 105.19 100.62 2d85 n GLY 112 Ca 0.39 0.50 -0.03 0.00 0.00 0.00 0.00 46.02 46.88 2d85 n GLY 112 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2d85 h LYS 113 N 0.00 0.57 -4.34 1.61 1.63 -1.18 -3.44 116.57 111.42 2d85 h LYS 113 Ca 0.68 -0.03 -0.55 0.00 -0.85 0.00 0.00 60.65 59.90 2d85 h LYS 113 Cb 3.27 -0.13 0.05 0.00 -0.60 0.00 0.00 32.23 34.82 2d85 h LYS 113 CO -0.01 0.38 -0.07 0.41 -3.45 0.00 0.00 179.45 176.72 2d85 n GLY 114 N -1.27 -0.47 2.18 5.01 0.00 0.24 -4.71 105.19 106.17 2d85 n GLY 114 Ca 0.07 0.47 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 2d85 n GLY 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d85 n MET 115 N 0.99 2.54 -4.49 1.61 2.81 -1.26 -4.64 117.12 114.68 2d85 n MET 115 Ca 0.14 -1.42 -0.42 0.00 -1.81 0.00 0.00 57.70 54.19 2d85 n MET 115 Cb 0.09 -2.30 -0.08 0.00 -0.71 0.00 0.00 33.22 30.22 2d85 n MET 115 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2d85 n LYS 116 N 3.04 -0.72 -2.70 0.03 5.02 -1.26 -4.87 118.16 116.70 2d85 n LYS 116 Ca 0.54 0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 56.64 2d85 n LYS 116 Cb 0.57 -4.60 -0.06 0.00 -0.02 0.00 0.00 35.03 30.92 2d85 n LYS 116 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d85 s ARG 117 N -7.13 4.07 0.03 1.97 1.81 -1.26 -5.07 118.95 113.37 2d85 s ARG 117 Ca 0.80 1.19 -0.14 0.00 -1.72 0.00 0.00 55.73 55.86 2d85 s ARG 117 Cb -0.47 -2.15 0.02 0.00 -0.45 0.00 0.00 34.95 31.90 2d85 s ARG 117 CO 1.01 -0.18 0.31 0.54 -0.68 0.00 0.00 175.30 176.30 2d85 s VAL 118 N -2.14 0.08 -0.01 3.52 0.11 -1.26 -4.92 120.40 115.77 2d85 s VAL 118 Ca 0.64 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2d85 s VAL 118 Cb -0.11 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2d85 s VAL 118 CO 0.16 -0.34 -0.00 -0.44 -3.33 0.00 0.00 175.10 171.15 2d85 s SER 119 N -1.89 0.19 0.00 3.54 0.01 -1.26 -5.14 113.70 109.16 2d85 s SER 119 Ca -0.07 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2d85 s SER 119 Cb -0.02 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2d85 s SER 119 CO -0.01 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2d85 n GLY 120 N 3.50 -0.51 1.59 3.44 0.00 -1.26 -4.87 105.19 107.09 2d85 n GLY 120 Ca -0.18 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 2d85 n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d85 n PRO 121 N -0.94 -2.00 -1.81 1.61 -0.04 -1.26 -5.01 135.00 125.56 2d85 n PRO 121 Ca 0.00 -0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 62.33 2d85 n PRO 121 Cb 0.00 -0.75 0.04 0.00 -0.04 0.00 0.00 33.50 32.76 2d85 n PRO 121 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d85 s SER 122 N -2.85 5.19 -0.38 3.54 0.01 -1.26 -5.01 113.70 112.94 2d85 s SER 122 Ca 0.32 2.00 -0.14 0.00 1.31 0.00 0.00 55.95 59.44 2d85 s SER 122 Cb -0.03 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2d85 s SER 122 CO 0.25 -1.58 0.29 -0.55 0.41 0.00 0.00 173.24 172.06 2d85 s SER 123 N -2.53 6.10 0.00 2.44 0.15 -1.26 -5.24 113.70 113.36 2d85 s SER 123 Ca 0.67 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2d85 s SER 123 Cb -0.21 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2d85 s SER 123 CO 0.40 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.08