#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 -0.98 -0.64 1.61 0.15 -1.26 -5.11 113.70 107.47 2d85 s SER 2 Ca 0.00 1.52 -0.06 0.00 0.70 0.00 0.00 55.95 58.11 2d85 s SER 2 Cb 0.00 1.56 0.17 0.00 -1.71 0.00 0.00 66.02 66.03 2d85 s SER 2 CO 0.00 -0.23 0.49 -0.44 1.20 0.00 0.00 173.24 174.25 2d85 s SER 3 N 1.87 5.64 0.40 5.45 0.01 -1.26 -4.99 113.70 120.82 2d85 s SER 3 Ca -0.09 -2.65 0.00 0.00 1.31 0.00 0.00 55.95 54.52 2d85 s SER 3 Cb -0.06 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2d85 s SER 3 CO -0.20 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2d85 n GLY 4 N 3.84 -3.65 3.53 3.44 0.00 -1.26 -5.06 105.19 106.04 2d85 n GLY 4 Ca 0.07 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.65 -0.65 -0.03 1.61 1.04 -1.26 -5.06 113.70 104.70 2d85 s SER 5 Ca 0.00 1.22 -0.14 0.00 0.48 0.00 0.00 55.95 57.52 2d85 s SER 5 Cb 0.00 1.23 -0.32 0.00 0.10 0.00 0.00 66.02 67.03 2d85 s SER 5 CO 0.00 -0.25 0.78 0.28 0.98 0.00 0.00 173.24 175.03 2d85 h SER 6 N 4.98 0.67 0.00 7.02 0.02 -2.07 -3.48 113.55 120.69 2d85 h SER 6 Ca -0.28 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 59.74 2d85 h SER 6 Cb 1.16 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2d85 h SER 6 CO 0.13 1.73 0.00 0.61 -1.14 0.00 0.00 176.83 178.16 2d85 n GLY 7 N 1.80 -0.29 0.18 -3.77 0.00 -1.26 -4.95 105.19 96.90 2d85 n GLY 7 Ca -0.22 0.66 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 2d85 n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d85 h ASN 8 N 0.00 0.09 0.28 1.61 2.35 -2.00 -1.30 115.58 116.61 2d85 h ASN 8 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2d85 h ASN 8 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2d85 h ASN 8 CO 0.00 0.54 -0.97 -0.90 -1.65 0.00 0.00 177.43 174.44 2d85 n ASP 9 N -3.99 0.68 0.02 5.81 5.68 -1.26 -4.18 116.55 119.30 2d85 n ASP 9 Ca -0.02 -0.47 -0.14 0.00 -0.50 0.00 0.00 54.79 53.67 2d85 n ASP 9 Cb 0.49 0.83 -0.14 0.00 -1.14 0.00 0.00 41.12 41.16 2d85 n ASP 9 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2d85 h ASP 10 N 0.00 0.22 0.64 -1.12 1.82 -1.87 -3.31 116.42 112.80 2d85 h ASP 10 Ca 0.00 -0.39 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 2d85 h ASP 10 Cb 0.62 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.56 2d85 h ASP 10 CO 0.00 1.34 0.00 0.00 -1.61 0.00 0.00 179.24 178.97 2d85 n ILE 11 N -3.29 0.87 -0.21 2.25 3.06 -0.51 -2.91 119.36 118.62 2d85 n ILE 11 Ca -0.19 0.28 0.22 0.00 -2.50 0.00 0.00 62.75 60.56 2d85 n ILE 11 Cb 1.04 -1.21 0.58 0.00 0.54 0.00 0.00 39.64 40.60 2d85 n ILE 11 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 2d85 h ILE 12 N 0.00 0.65 0.00 9.51 2.04 -1.74 -0.67 117.51 127.30 2d85 h ILE 12 Ca 0.00 -0.09 -0.21 0.00 1.00 0.00 0.00 64.86 65.55 2d85 h ILE 12 Cb 0.32 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2d85 h ILE 12 CO 0.00 0.05 -1.21 0.58 0.00 0.00 0.00 178.15 177.57 2d85 h VAL 13 N 0.26 0.83 -0.45 1.67 2.07 -1.80 -3.35 116.25 115.48 2d85 h VAL 13 Ca 0.44 -2.08 0.07 0.00 0.82 0.00 0.00 66.70 65.96 2d85 h VAL 13 Cb 1.30 2.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.99 2d85 h VAL 13 CO -0.12 0.28 -0.43 -1.13 0.02 0.00 0.00 177.57 176.19 2d85 h ASN 14 N -1.00 -1.45 0.00 0.57 -1.24 -1.57 -2.27 115.58 108.62 2d85 h ASN 14 Ca -0.32 0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.91 2d85 h ASN 14 Cb 1.24 0.64 0.00 0.00 0.73 0.00 0.00 38.32 40.93 2d85 h ASN 14 CO -0.20 -0.36 0.00 1.87 -1.29 0.00 0.00 177.43 177.45 2d85 n TRP 15 N -5.41 0.00 -0.27 0.67 -0.00 -0.29 -0.85 117.44 111.29 2d85 n TRP 15 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.58 2d85 n TRP 15 Cb 0.35 -0.48 0.17 0.00 -0.00 0.00 0.00 31.31 31.34 2d85 n TRP 15 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2d85 n VAL 16 N -2.64 -0.32 -0.27 5.87 0.31 -1.06 0.23 118.33 120.44 2d85 n VAL 16 Ca 0.00 1.73 -0.06 0.00 -0.01 0.00 0.00 64.34 66.00 2d85 n VAL 16 Cb 0.00 -2.46 0.06 0.00 -0.91 0.00 0.00 33.84 30.53 2d85 n VAL 16 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2d85 h ASN 17 N 0.00 0.95 0.22 4.52 2.35 -0.66 -2.28 115.58 120.68 2d85 h ASN 17 Ca 0.42 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 2d85 h ASN 17 Cb 0.77 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2d85 h ASN 17 CO -0.76 0.80 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.38 2d85 h GLU 18 N 1.03 -0.29 -1.10 0.81 5.08 0.50 0.31 114.58 120.91 2d85 h GLU 18 Ca 0.26 0.02 0.40 0.00 -1.00 0.00 0.00 59.36 59.03 2d85 h GLU 18 Cb 0.09 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.25 2d85 h GLU 18 CO -0.04 -0.19 0.65 0.00 -1.00 0.00 0.00 179.01 178.43 2d85 h THR 19 N -0.35 0.12 -0.02 1.13 1.03 -1.18 0.72 112.91 114.37 2d85 h THR 19 Ca -0.03 -0.04 -0.20 0.00 -0.01 0.00 0.00 66.41 66.13 2d85 h THR 19 Cb 0.23 -0.01 0.02 0.00 -1.07 0.00 0.00 68.15 67.31 2d85 h THR 19 CO 0.05 0.02 -0.77 -0.07 -0.01 0.00 0.00 175.52 174.75 2d85 h LEU 20 N 0.12 0.71 0.61 0.00 3.38 -1.33 -2.65 115.31 116.15 2d85 h LEU 20 Ca 0.81 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2d85 h LEU 20 Cb 2.19 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 42.73 2d85 h LEU 20 CO -0.61 1.35 -0.29 0.03 0.09 0.00 0.00 178.44 179.00 2d85 h ARG 21 N 0.14 -0.79 -0.10 1.13 3.08 0.42 0.41 114.38 118.66 2d85 h ARG 21 Ca -0.09 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.04 2d85 h ARG 21 Cb 1.45 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.67 2d85 h ARG 21 CO 0.15 -0.50 0.09 0.93 -1.07 0.00 0.00 179.97 179.57 2d85 h GLU 22 N -0.90 0.00 -0.00 0.04 4.39 -0.75 0.19 114.58 117.54 2d85 h GLU 22 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2d85 h GLU 22 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2d85 h GLU 22 CO 0.14 0.00 -0.32 0.00 -1.16 0.00 0.00 179.01 177.67 2d85 n ALA 23 N -2.45 3.19 -3.05 3.43 0.00 -1.00 -4.96 120.51 115.67 2d85 n ALA 23 Ca -0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 2d85 n ALA 23 Cb 0.20 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.02 -4.32 -3.61 0.00 4.71 0.67 -5.01 120.64 112.06 2d85 n GLU 24 Ca 0.10 0.67 -0.35 0.00 -0.01 0.00 0.00 57.16 57.57 2d85 n GLU 24 Cb 0.34 -5.07 -0.05 0.00 -1.01 0.00 0.00 31.44 25.64 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2d85 s LYS 25 N -4.82 3.72 -0.05 3.49 3.01 0.11 -4.98 119.74 120.23 2d85 s LYS 25 Ca 0.09 0.12 0.07 0.00 -1.01 0.00 0.00 55.97 55.25 2d85 s LYS 25 Cb -0.01 -3.01 0.30 0.00 -1.01 0.00 0.00 37.83 34.10 2d85 s LYS 25 CO 0.57 0.58 1.11 0.43 0.51 0.00 0.00 175.35 178.54 2d85 n SER 26 N 0.93 2.28 -4.36 2.83 7.64 -1.26 -4.78 113.62 116.90 2d85 n SER 26 Ca -0.08 -2.20 -0.23 0.00 1.01 0.00 0.00 58.87 57.37 2d85 n SER 26 Cb 0.52 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.64 2.91 0.03 6.43 0.01 -1.26 -5.05 113.70 116.12 2d85 s SER 27 Ca 0.21 -0.88 -0.22 0.00 1.31 0.00 0.00 55.95 56.37 2d85 s SER 27 Cb 0.14 -0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.25 2d85 s SER 27 CO 0.10 -0.00 0.99 -0.24 0.41 0.00 0.00 173.24 174.50 2d85 n SER 28 N 0.19 -1.09 -3.93 2.44 2.88 -1.26 -4.87 113.62 107.98 2d85 n SER 28 Ca -0.12 -1.34 -0.10 0.00 -1.33 0.00 0.00 58.87 55.97 2d85 n SER 28 Cb 0.57 1.72 -0.10 0.00 -0.75 0.00 0.00 64.21 65.65 2d85 n SER 28 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2d85 s ILE 29 N -2.07 0.10 -0.20 2.46 -4.36 -1.26 -4.42 121.20 111.45 2d85 s ILE 29 Ca 0.23 -0.85 0.10 0.00 -0.26 0.00 0.00 60.65 59.87 2d85 s ILE 29 Cb -0.01 -0.44 -0.19 0.00 1.25 0.00 0.00 42.46 43.07 2d85 s ILE 29 CO 0.01 -0.46 -0.06 -0.24 0.24 0.00 0.00 174.94 174.43 2d85 n SER 30 N 1.40 1.23 -3.74 4.36 2.88 -1.26 -4.89 113.62 113.61 2d85 n SER 30 Ca -0.23 -0.06 -0.04 0.00 -1.33 0.00 0.00 58.87 57.22 2d85 n SER 30 Cb 0.56 0.36 -0.01 0.00 -0.75 0.00 0.00 64.21 64.37 2d85 n SER 30 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d85 s SER 31 N -5.71 -0.17 0.63 -3.46 0.01 -1.26 -5.00 113.70 98.74 2d85 s SER 31 Ca -0.19 -0.45 0.28 0.00 1.31 0.00 0.00 55.95 56.91 2d85 s SER 31 Cb 0.07 0.52 1.51 0.00 0.21 0.00 0.00 66.02 68.33 2d85 s SER 31 CO 0.66 -0.96 1.88 -0.26 0.41 0.00 0.00 173.24 174.97 2d85 h PHE 32 N 2.00 0.00 -1.26 2.43 0.04 -2.01 0.70 116.94 118.84 2d85 h PHE 32 Ca -0.24 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 59.88 2d85 h PHE 32 Cb 1.23 0.00 -0.34 0.00 2.20 0.00 0.00 35.95 39.04 2d85 h PHE 32 CO 0.44 0.00 0.28 1.63 -0.60 0.00 0.00 178.31 180.06 2d85 n LYS 33 N -3.22 3.04 -2.86 1.51 5.02 -1.26 -4.69 118.16 115.70 2d85 n LYS 33 Ca 0.02 -3.74 -0.40 0.00 -2.02 0.00 0.00 58.31 52.18 2d85 n LYS 33 Cb 0.52 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.19 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 -2.33 7.48 0.07 4.39 -1.08 0.23 -4.98 116.67 120.45 2d85 s ASP 34 Ca 0.56 1.75 -0.17 0.00 -0.52 0.00 0.00 52.55 54.17 2d85 s ASP 34 Cb 0.45 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 39.25 2d85 s ASP 34 CO -0.12 0.13 1.39 1.55 0.52 0.00 0.00 175.17 178.63 2d85 h PRO 35 N 4.60 0.56 -1.03 4.34 0.13 -1.95 -3.07 132.00 135.57 2d85 h PRO 35 Ca -0.45 -0.30 0.30 0.00 -0.87 0.00 0.00 66.00 64.68 2d85 h PRO 35 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2d85 h PRO 35 CO 0.68 0.89 0.74 0.87 -0.23 0.00 0.00 178.00 180.95 2d85 h LYS 36 N 0.25 0.01 -0.54 0.86 1.79 -1.94 0.34 116.57 117.36 2d85 h LYS 36 Ca 0.04 -0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.63 2d85 h LYS 36 Cb 0.79 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 2d85 h LYS 36 CO 0.06 0.01 0.37 0.82 -1.08 0.00 0.00 179.45 179.63 2d85 h ILE 37 N 0.01 0.80 -0.74 1.86 2.04 -1.85 -0.31 117.51 119.32 2d85 h ILE 37 Ca 0.49 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 66.39 2d85 h ILE 37 Cb 1.96 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 2d85 h ILE 37 CO -0.01 0.03 0.49 -1.28 0.00 0.00 0.00 178.15 177.37 2d85 h SER 38 N 0.15 0.61 0.62 1.72 0.87 -0.49 0.15 113.55 117.19 2d85 h SER 38 Ca 0.25 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2d85 h SER 38 Cb 0.80 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2d85 h SER 38 CO -0.04 0.37 -0.26 0.35 -0.53 0.00 0.00 176.83 176.73 2d85 n THR 39 N -4.49 0.00 -1.93 2.23 -2.24 -0.14 -4.63 114.28 103.07 2d85 n THR 39 Ca 0.12 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.76 2d85 n THR 39 Cb 0.31 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.36 -4.08 0.09 3.42 7.64 0.51 -4.87 113.62 114.97 2d85 n SER 40 Ca 0.08 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 2d85 n SER 40 Cb 0.33 -3.07 -0.08 0.00 -1.01 0.00 0.00 64.21 60.37 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 -0.22 -0.92 -3.43 3.38 -1.79 -0.57 115.31 111.76 2d85 h LEU 41 Ca -0.28 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 2d85 h LEU 41 Cb 1.07 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2d85 h LEU 41 CO 0.35 0.19 -0.47 1.55 0.09 0.00 0.00 178.44 180.15 2d85 h PRO 42 N -0.69 0.16 -0.04 1.13 0.13 -1.80 -0.46 132.00 130.43 2d85 h PRO 42 Ca -0.03 -0.09 -0.21 0.00 -0.87 0.00 0.00 66.00 64.81 2d85 h PRO 42 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2d85 h PRO 42 CO 0.04 0.60 -0.85 0.28 -0.23 0.00 0.00 178.00 177.85 2d85 h VAL 43 N 0.13 1.38 0.03 1.56 2.07 -1.91 -1.31 116.25 118.21 2d85 h VAL 43 Ca 0.01 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.23 2d85 h VAL 43 Cb 0.88 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2d85 h VAL 43 CO 0.07 0.69 -0.02 -0.07 0.02 0.00 0.00 177.57 178.26 2d85 h LEU 44 N 0.27 -0.04 -0.63 2.57 3.38 -1.01 -3.29 115.31 116.56 2d85 h LEU 44 Ca -0.06 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 2d85 h LEU 44 Cb 1.46 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 2d85 h LEU 44 CO 0.15 0.74 0.37 0.44 0.09 0.00 0.00 178.44 180.23 2d85 h ASP 45 N -0.93 0.77 -0.83 -0.43 5.19 -1.20 -2.69 116.42 116.29 2d85 h ASP 45 Ca -0.00 -0.07 0.21 0.00 -0.62 0.00 0.00 57.03 56.54 2d85 h ASP 45 Cb 0.67 -0.19 -0.14 0.00 0.18 0.00 0.00 39.33 39.85 2d85 h ASP 45 CO 0.01 0.62 0.16 0.25 -3.12 0.00 0.00 179.24 177.15 2d85 h LEU 46 N 0.86 -0.11 0.73 1.55 5.85 -1.36 0.14 115.31 122.96 2d85 h LEU 46 Ca 0.22 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 2d85 h LEU 46 Cb -0.00 0.29 0.01 0.00 0.37 0.00 0.00 40.66 41.32 2d85 h LEU 46 CO -0.04 -0.15 -0.35 0.40 -0.34 0.00 0.00 178.44 177.96 2d85 h ILE 47 N 0.18 0.00 -0.75 4.05 2.04 -1.55 -3.15 117.51 118.33 2d85 h ILE 47 Ca 0.50 -0.12 0.17 0.00 1.00 0.00 0.00 64.86 66.42 2d85 h ILE 47 Cb 0.96 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.91 2d85 h ILE 47 CO -0.65 0.00 0.06 -0.78 0.00 0.00 0.00 178.15 176.78 2d85 h ASP 48 N -1.09 -0.25 -0.98 1.72 3.58 -1.26 0.58 116.42 118.72 2d85 h ASP 48 Ca -0.10 0.18 0.30 0.00 0.42 0.00 0.00 57.03 57.84 2d85 h ASP 48 Cb 0.75 0.31 -0.18 0.00 1.72 0.00 0.00 39.33 41.93 2d85 h ASP 48 CO 0.16 -0.15 0.16 0.00 -2.88 0.00 0.00 179.24 176.54 2d85 h ALA 49 N 1.69 1.41 0.02 -0.78 0.00 -0.71 0.95 119.26 121.84 2d85 h ALA 49 Ca 0.42 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.64 2d85 h ALA 49 Cb 0.75 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2d85 h ALA 49 CO -0.63 -0.65 -0.01 0.82 0.00 0.00 0.00 179.25 178.78 2d85 h ILE 50 N 0.03 1.45 -3.29 0.00 2.04 -0.92 -3.41 117.51 113.40 2d85 h ILE 50 Ca 0.65 -1.60 -0.63 0.00 1.00 0.00 0.00 64.86 64.28 2d85 h ILE 50 Cb 1.46 2.50 -0.40 0.00 -0.74 0.00 0.00 36.82 39.63 2d85 h ILE 50 CO -0.87 0.40 -0.69 -1.58 0.00 0.00 0.00 178.15 175.41 2d85 s GLN 51 N -3.31 1.55 -0.12 2.37 0.74 0.20 -5.09 119.66 116.01 2d85 s GLN 51 Ca -0.16 -2.15 -0.29 0.00 0.05 0.00 0.00 55.36 52.80 2d85 s GLN 51 Cb -0.00 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 2d85 s GLN 51 CO 0.64 -1.08 1.54 -1.25 -0.55 0.00 0.00 175.29 174.59 2d85 s PRO 52 N 0.30 4.12 0.00 1.67 0.04 -0.44 -3.52 135.00 137.16 2d85 s PRO 52 Ca 0.15 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2d85 s PRO 52 Cb -0.24 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2d85 s PRO 52 CO -0.04 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2d85 n GLY 53 N 4.09 0.96 0.04 0.56 0.00 -1.26 -5.03 105.19 104.55 2d85 n GLY 53 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 -3.51 1.61 0.02 -1.93 -3.46 113.55 106.28 2d85 h SER 54 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2d85 h SER 54 Cb 0.00 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.60 2d85 h SER 54 CO 0.00 0.39 0.74 -0.63 -1.14 0.00 0.00 176.83 176.19 2d85 s ILE 55 N -1.53 2.64 -0.30 3.27 -1.09 -1.26 -5.00 121.20 117.93 2d85 s ILE 55 Ca -0.03 0.56 0.01 0.00 -2.23 0.00 0.00 60.65 58.95 2d85 s ILE 55 Cb 0.00 -3.36 0.09 0.00 -1.58 0.00 0.00 42.46 37.62 2d85 s ILE 55 CO 0.05 0.10 0.05 0.21 -1.23 0.00 0.00 174.94 174.12 2d85 s ASN 56 N 0.16 4.13 0.49 3.58 2.47 -1.26 -4.98 114.94 119.54 2d85 s ASN 56 Ca 0.57 -1.64 0.22 0.00 0.42 0.00 0.00 52.86 52.43 2d85 s ASN 56 Cb -0.42 -1.13 1.27 0.00 -1.45 0.00 0.00 41.25 39.53 2d85 s ASN 56 CO 0.46 -0.36 1.97 1.88 -3.72 0.00 0.00 177.10 177.33 2d85 h TYR 57 N 7.94 0.18 -0.99 0.43 -1.99 -1.95 -0.94 116.97 119.65 2d85 h TYR 57 Ca -0.12 0.01 0.23 0.00 2.00 0.00 0.00 58.73 60.84 2d85 h TYR 57 Cb 1.03 -0.06 -0.12 0.00 2.00 0.00 0.00 36.73 39.59 2d85 h TYR 57 CO 0.41 0.07 0.57 0.22 -0.00 0.00 0.00 178.16 179.43 2d85 h ASP 58 N 0.15 0.66 0.44 3.88 1.82 -2.01 -0.74 116.42 120.63 2d85 h ASP 58 Ca 0.29 0.13 -0.31 0.00 -0.39 0.00 0.00 57.03 56.76 2d85 h ASP 58 Cb 0.95 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.96 2d85 h ASP 58 CO -0.04 0.13 -1.65 -0.07 -1.61 0.00 0.00 179.24 176.00 2d85 h LEU 59 N 0.60 0.23-10.12 2.28 3.38 -1.62 -3.47 115.31 106.59 2d85 h LEU 59 Ca 0.62 -0.40 -0.55 0.00 0.09 0.00 0.00 57.88 57.64 2d85 h LEU 59 Cb 1.13 -0.07 0.15 0.00 0.09 0.00 0.00 40.66 41.95 2d85 h LEU 59 CO -0.46 1.34 0.48 -0.76 0.09 0.00 0.00 178.44 179.14 2d85 s LEU 60 N -6.66 3.54 -0.11 1.67 1.43 -0.28 -4.99 118.68 113.27 2d85 s LEU 60 Ca -0.09 2.53 -0.08 0.00 -1.03 0.00 0.00 54.13 55.46 2d85 s LEU 60 Cb 0.07 -4.61 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 2d85 s LEU 60 CO 0.82 -1.99 -0.16 0.29 0.23 0.00 0.00 176.35 175.54 2d85 n LYS 61 N -2.01 0.36 -2.44 1.70 4.01 -1.26 -4.91 118.16 113.60 2d85 n LYS 61 Ca 0.15 0.41 -0.08 0.00 -0.51 0.00 0.00 58.31 58.29 2d85 n LYS 61 Cb 0.49 -1.44 -0.00 0.00 -0.51 0.00 0.00 35.03 33.56 2d85 n LYS 61 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2d85 n THR 62 N -4.08 -0.37 -3.69 -0.18 -2.24 -1.26 -4.90 114.28 97.56 2d85 n THR 62 Ca -0.06 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.44 2d85 n THR 62 Cb 0.24 -1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 67.19 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2d85 s GLU 63 N -4.98 0.48 -1.66 -0.78 -1.05 -1.26 -4.87 118.70 104.59 2d85 s GLU 63 Ca 0.00 -0.39 -0.08 0.00 -0.15 0.00 0.00 54.97 54.35 2d85 s GLU 63 Cb 0.00 -1.97 0.08 0.00 -0.44 0.00 0.00 34.13 31.79 2d85 s GLU 63 CO 0.00 -0.70 0.21 0.27 0.95 0.00 0.00 175.26 175.99 2d85 n ASN 64 N 5.10 0.01 -4.58 0.83 0.23 -1.26 -4.83 115.26 110.76 2d85 n ASN 64 Ca -0.08 -1.26 -0.35 0.00 -0.53 0.00 0.00 54.58 52.36 2d85 n ASN 64 Cb 0.47 -1.64 0.10 0.00 -2.08 0.00 0.00 39.78 36.63 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 -4.42 2.77 -4.34 -4.53 4.77 -1.26 -5.03 117.00 104.96 2d85 n LEU 65 Ca -0.18 0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 56.19 2d85 n LEU 65 Cb 0.62 -1.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.25 2d85 n LEU 65 CO 0.89 -2.35 -0.15 0.54 -1.33 0.00 0.00 177.39 174.98 2d85 s ASN 66 N -1.77 1.81 0.59 -1.43 2.20 -1.26 -4.85 114.94 110.23 2d85 s ASN 66 Ca 0.70 -1.68 0.29 0.00 -0.94 0.00 0.00 52.86 51.23 2d85 s ASN 66 Cb -0.32 0.51 1.31 0.00 -2.00 0.00 0.00 41.25 40.76 2d85 s ASN 66 CO 0.54 -0.99 1.69 -0.78 -2.94 0.00 0.00 177.10 174.62 2d85 h ASP 67 N 2.10 0.00 0.00 3.54 3.58 -1.97 0.62 116.42 124.29 2d85 h ASP 67 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2d85 h ASP 67 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2d85 h ASP 67 CO 0.45 0.00 -0.02 -0.78 -2.88 0.00 0.00 179.24 176.00 2d85 h ASP 68 N 0.00 0.00 0.13 2.28 1.82 -2.00 -3.33 116.42 115.31 2d85 h ASP 68 Ca 0.34 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.99 2d85 h ASP 68 Cb 1.87 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.85 2d85 h ASP 68 CO -0.00 0.12 -0.19 -0.33 -1.61 0.00 0.00 179.24 177.23 2d85 h GLU 69 N -0.22 -0.37 -0.89 0.28 4.39 -1.82 -2.33 114.58 113.62 2d85 h GLU 69 Ca 0.00 0.02 0.33 0.00 0.34 0.00 0.00 59.36 60.05 2d85 h GLU 69 Cb 0.02 0.08 -0.16 0.00 -0.10 0.00 0.00 28.75 28.59 2d85 h GLU 69 CO 0.00 -0.24 0.31 1.63 -1.16 0.00 0.00 179.01 179.55 2d85 n LYS 70 N -5.32 -0.06 0.23 2.33 5.02 0.21 -0.62 118.16 119.95 2d85 n LYS 70 Ca -0.07 1.27 -0.10 0.00 -2.02 0.00 0.00 58.31 57.39 2d85 n LYS 70 Cb 0.23 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.01 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 -0.63 -0.99 -0.35 5.85 -1.53 -0.63 115.31 117.04 2d85 h LEU 71 Ca 0.68 0.03 0.36 0.00 0.84 0.00 0.00 57.88 59.80 2d85 h LEU 71 Cb 1.69 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 42.73 2d85 h LEU 71 CO -0.74 -0.39 0.47 0.78 -0.34 0.00 0.00 178.44 178.21 2d85 h ASN 72 N -0.62 0.26 -0.29 1.25 2.35 -0.88 0.73 115.58 118.37 2d85 h ASN 72 Ca -0.06 0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2d85 h ASN 72 Cb 0.50 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 2d85 h ASN 72 CO 0.06 -0.32 -0.01 0.78 -1.65 0.00 0.00 177.43 176.29 2d85 h ASN 73 N 0.11 0.52 -0.60 5.81 4.21 -1.09 -2.21 115.58 122.32 2d85 h ASN 73 Ca 0.77 -0.32 -0.04 0.00 1.21 0.00 0.00 56.30 57.92 2d85 h ASN 73 Cb 1.89 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.92 2d85 h ASN 73 CO -0.73 0.71 0.25 0.00 -1.29 0.00 0.00 177.43 176.37 2d85 h ALA 74 N 0.82 1.25 -0.52 -0.83 0.00 0.19 -0.58 119.26 119.60 2d85 h ALA 74 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2d85 h ALA 74 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2d85 h ALA 74 CO 0.02 0.55 -0.03 0.87 0.00 0.00 0.00 179.25 180.66 2d85 h LYS 75 N 0.92 0.91 -0.17 0.00 1.57 -0.72 -2.60 116.57 116.48 2d85 h LYS 75 Ca 0.22 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 2d85 h LYS 75 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2d85 h LYS 75 CO -0.02 0.92 -0.42 -0.92 -0.57 0.00 0.00 179.45 178.44 2d85 h TYR 76 N 0.83 0.74 -0.31 -1.35 3.20 -0.97 -2.10 116.97 117.01 2d85 h TYR 76 Ca 0.15 -0.29 0.06 0.00 3.14 0.00 0.00 58.73 61.80 2d85 h TYR 76 Cb 0.53 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 2d85 h TYR 76 CO 0.03 1.04 -0.06 0.00 -1.64 0.00 0.00 178.16 177.54 2d85 h ALA 77 N 0.56 0.23 -0.13 1.82 0.00 -1.02 0.12 119.26 120.84 2d85 h ALA 77 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2d85 h ALA 77 Cb 1.03 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2d85 h ALA 77 CO 0.09 -0.45 0.01 0.82 0.00 0.00 0.00 179.25 179.72 2d85 h ILE 78 N 0.02 1.24 -0.23 0.00 2.04 -1.51 -3.18 117.51 115.89 2d85 h ILE 78 Ca 0.15 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.29 2d85 h ILE 78 Cb 0.22 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2d85 h ILE 78 CO -0.30 0.23 -0.11 0.77 0.00 0.00 0.00 178.15 178.73 2d85 h SER 79 N -0.04 -0.37 -0.92 1.72 4.64 -1.01 -1.76 113.55 115.81 2d85 h SER 79 Ca 0.04 0.09 0.26 0.00 -0.47 0.00 0.00 61.79 61.71 2d85 h SER 79 Cb 0.34 0.20 -0.15 0.00 -0.31 0.00 0.00 62.40 62.48 2d85 h SER 79 CO 0.01 -0.14 0.24 -0.03 -0.87 0.00 0.00 176.83 176.04 2d85 h MET 80 N -0.08 0.15 -0.95 4.77 -1.53 -0.75 0.13 114.93 116.67 2d85 h MET 80 Ca 0.12 -0.01 0.21 0.00 -3.44 0.00 0.00 59.70 56.59 2d85 h MET 80 Cb 0.26 -0.03 -0.18 0.00 -0.55 0.00 0.00 31.60 31.10 2d85 h MET 80 CO -0.28 0.10 -0.14 0.00 0.14 0.00 0.00 176.91 176.72 2d85 h ALA 81 N 1.85 0.80 -0.04 0.39 0.00 -1.31 1.28 119.26 122.22 2d85 h ALA 81 Ca 0.60 0.35 -0.10 0.00 0.00 0.00 0.00 54.91 55.77 2d85 h ALA 81 Cb 1.28 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2d85 h ALA 81 CO -0.72 -0.44 -0.43 -0.09 0.00 0.00 0.00 179.25 177.57 2d85 h ARG 82 N 0.01 0.09 -0.26 0.00 2.43 -0.73 -1.55 114.38 114.36 2d85 h ARG 82 Ca 0.50 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.67 2d85 h ARG 82 Cb 0.86 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 2d85 h ARG 82 CO -0.95 0.51 0.02 -0.22 -1.51 0.00 0.00 179.97 177.82 2d85 h LYS 83 N 0.08 0.10 0.00 0.20 1.63 0.18 -1.88 116.57 116.88 2d85 h LYS 83 Ca 0.00 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2d85 h LYS 83 Cb 0.80 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2d85 h LYS 83 CO 0.06 0.07 -0.17 -0.84 -3.45 0.00 0.00 179.45 175.12 2d85 h ILE 84 N 0.10 0.31 0.00 2.00 3.07 -1.34 -3.48 117.51 118.18 2d85 h ILE 84 Ca 0.12 -1.34 0.00 0.00 1.55 0.00 0.00 64.86 65.19 2d85 h ILE 84 Cb 0.15 2.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 2d85 h ILE 84 CO -0.19 0.17 0.00 0.61 -1.05 0.00 0.00 178.15 177.68 2d85 n GLY 85 N 0.98 0.83 3.86 0.16 0.00 -0.70 -5.13 105.19 105.18 2d85 n GLY 85 Ca 0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.04 -2.01 0.27 4.61 0.00 -0.65 -4.91 121.76 119.03 2d85 s ALA 86 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.01 2d85 s ALA 86 Cb 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 23.12 23.79 2d85 s ALA 86 CO 0.00 -1.09 0.00 1.03 0.00 0.00 0.00 175.76 175.70 2d85 s ARG 87 N -2.26 1.49 -0.24 0.00 0.52 -1.26 -3.31 118.95 113.89 2d85 s ARG 87 Ca 0.22 -1.78 -0.03 0.00 -0.52 0.00 0.00 55.73 53.62 2d85 s ARG 87 Cb -0.00 -0.84 0.13 0.00 0.52 0.00 0.00 34.95 34.76 2d85 s ARG 87 CO 0.01 -0.09 0.38 0.08 0.02 0.00 0.00 175.30 175.70 2d85 s VAL 88 N -3.27 -0.61 -0.48 3.52 1.01 -1.26 -4.90 120.40 114.42 2d85 s VAL 88 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2d85 s VAL 88 Cb 0.06 -0.79 0.13 0.00 0.00 0.00 0.00 36.38 35.77 2d85 s VAL 88 CO 0.12 -0.10 2.56 -1.22 0.00 0.00 0.00 175.10 176.46 2d85 n TYR 89 N 5.37 1.77 -4.50 5.22 4.02 -1.26 -4.90 117.16 122.88 2d85 n TYR 89 Ca -0.04 -2.02 -0.25 0.00 -0.01 0.00 0.00 57.90 55.57 2d85 n TYR 89 Cb 0.50 -1.30 -0.07 0.00 -0.02 0.00 0.00 39.34 38.45 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d85 n ALA 90 N 0.60 0.58 -2.72 -0.72 0.00 -1.26 -4.96 120.51 112.03 2d85 n ALA 90 Ca 0.47 -2.08 -0.27 0.00 0.00 0.00 0.00 53.44 51.56 2d85 n ALA 90 Cb 0.53 1.41 -0.16 0.00 0.00 0.00 0.00 19.45 21.23 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 1.98 0.49 0.00 2.96 -1.26 -5.02 118.68 117.83 2d85 s LEU 91 Ca 0.21 -0.38 0.28 0.00 -0.22 0.00 0.00 54.13 54.02 2d85 s LEU 91 Cb 0.01 -1.05 1.17 0.00 0.50 0.00 0.00 46.19 46.81 2d85 s LEU 91 CO 0.15 0.20 1.92 1.55 -1.32 0.00 0.00 176.35 178.85 2d85 h PRO 92 N 6.01 0.00 0.00 0.98 0.13 -1.96 -2.71 132.00 134.46 2d85 h PRO 92 Ca -0.34 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 2d85 h PRO 92 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2d85 h PRO 92 CO 0.48 0.14 -0.18 0.93 -0.23 0.00 0.00 178.00 179.14 2d85 h GLU 93 N 0.00 0.00 0.10 0.86 5.08 -1.95 -2.98 114.58 115.70 2d85 h GLU 93 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2d85 h GLU 93 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2d85 h GLU 93 CO 0.02 0.18 -2.08 -0.25 -1.00 0.00 0.00 179.01 175.88 2d85 n ASP 94 N -3.51 2.10 -0.01 1.42 9.92 -1.04 -4.12 116.55 121.30 2d85 n ASP 94 Ca -0.01 0.15 0.21 0.00 -0.53 0.00 0.00 54.79 54.61 2d85 n ASP 94 Cb 0.34 -0.78 0.70 0.00 -0.64 0.00 0.00 41.12 40.73 2d85 n ASP 94 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2d85 h LEU 95 N 0.05 0.00 -1.37 0.64 5.85 -1.43 0.93 115.31 119.98 2d85 h LEU 95 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2d85 h LEU 95 Cb 2.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.01 2d85 h LEU 95 CO 0.05 0.00 0.14 0.58 -0.34 0.00 0.00 178.44 178.88 2d85 h VAL 96 N 0.00 1.16 -0.97 1.05 2.07 -1.68 -2.31 116.25 115.58 2d85 h VAL 96 Ca 0.27 -0.53 -0.61 0.00 0.82 0.00 0.00 66.70 66.65 2d85 h VAL 96 Cb 1.08 0.70 -0.30 0.00 -1.52 0.00 0.00 31.29 31.25 2d85 h VAL 96 CO -0.00 0.20 0.70 -0.62 0.02 0.00 0.00 177.57 177.87 2d85 n GLU 97 N -4.36 2.57 -3.87 1.57 1.02 0.30 -4.50 120.64 113.37 2d85 n GLU 97 Ca 0.03 -3.24 -0.26 0.00 -0.02 0.00 0.00 57.16 53.66 2d85 n GLU 97 Cb 0.16 -2.24 -0.04 0.00 -0.02 0.00 0.00 31.44 29.29 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 -0.99 -1.11 -2.84 2.62 0.31 -0.87 -4.82 118.33 110.64 2d85 n VAL 98 Ca 0.60 -0.38 -0.43 0.00 -0.01 0.00 0.00 64.34 64.12 2d85 n VAL 98 Cb 0.99 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 32.87 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 -3.98 6.61 0.00 4.52 0.01 -1.09 -4.90 114.94 116.11 2d85 s ASN 99 Ca 0.12 0.42 0.15 0.00 -0.71 0.00 0.00 52.86 52.84 2d85 s ASN 99 Cb -0.07 -2.44 0.79 0.00 0.41 0.00 0.00 41.25 39.94 2d85 s ASN 99 CO 0.71 -0.87 1.40 -0.81 -1.51 0.00 0.00 177.10 176.02 2d85 n PRO 100 N 6.78 0.27 0.10 -0.60 -0.04 -1.26 -2.39 135.00 137.86 2d85 n PRO 100 Ca 0.06 0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2d85 n PRO 100 Cb 0.48 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.01 0.00 0.54 1.57 -1.98 -3.21 116.57 113.51 2d85 h LYS 101 Ca 0.00 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 2d85 h LYS 101 Cb 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 2d85 h LYS 101 CO 0.00 0.80 -2.27 -1.33 -0.57 0.00 0.00 179.45 176.08 2d85 n MET 102 N -3.60 0.53 -0.34 3.15 2.81 -1.06 -4.49 117.12 114.12 2d85 n MET 102 Ca -0.01 0.16 0.20 0.00 -1.81 0.00 0.00 57.70 56.24 2d85 n MET 102 Cb 0.77 -1.41 0.43 0.00 -0.71 0.00 0.00 33.22 32.30 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 -0.27 0.51 -1.42 2.03 2.07 -1.62 -0.06 116.25 117.49 2d85 h VAL 103 Ca -0.53 -0.17 0.45 0.00 0.82 0.00 0.00 66.70 67.28 2d85 h VAL 103 Cb 1.69 -0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 31.32 2d85 h VAL 103 CO -0.17 0.09 0.96 1.15 0.02 0.00 0.00 177.57 179.63 2d85 n MET 104 N -4.81 -0.02 -0.10 1.57 0.00 -1.21 0.27 117.12 112.83 2d85 n MET 104 Ca 0.27 1.05 -0.21 0.00 0.00 0.00 0.00 57.70 58.81 2d85 n MET 104 Cb 0.81 -2.19 -0.12 0.00 0.00 0.00 0.00 33.22 31.72 2d85 n MET 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2d85 n THR 105 N -4.17 1.57 -0.30 3.17 -1.04 -0.05 -3.42 114.28 110.04 2d85 n THR 105 Ca 0.37 -0.53 -0.07 0.00 -2.04 0.00 0.00 64.05 61.78 2d85 n THR 105 Cb 1.54 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 2d85 n THR 105 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2d85 h VAL 106 N -0.19 0.04 0.09 12.58 2.07 -0.01 0.75 116.25 131.58 2d85 h VAL 106 Ca -0.55 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2d85 h VAL 106 Cb 1.85 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2d85 h VAL 106 CO -0.11 0.00 -0.04 -0.26 0.02 0.00 0.00 177.57 177.18 2d85 h PHE 107 N -0.12 -0.11 -0.87 1.57 0.04 -1.59 -3.26 116.94 112.60 2d85 h PHE 107 Ca 0.21 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.06 2d85 h PHE 107 Cb 0.54 0.04 -0.11 0.00 2.20 0.00 0.00 35.95 38.62 2d85 h PHE 107 CO -0.83 0.40 -0.50 0.00 -0.60 0.00 0.00 178.31 176.78 2d85 n ALA 108 N -2.59 -0.53 -0.31 2.45 0.00 -1.00 0.17 120.51 118.69 2d85 n ALA 108 Ca -0.07 0.75 0.16 0.00 0.00 0.00 0.00 53.44 54.28 2d85 n ALA 108 Cb 0.28 -0.14 0.42 0.00 0.00 0.00 0.00 19.45 20.01 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 0.59 0.00 0.00 0.00 3.38 0.16 -3.08 115.31 116.36 2d85 h LEU 110 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 2d85 h LEU 110 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2d85 h LEU 110 CO -0.29 0.58 -0.22 0.24 0.09 0.00 0.00 178.44 178.84 2d85 h MET 111 N 0.00 0.00 0.00 1.13 2.86 0.43 -3.31 114.93 116.04 2d85 h MET 111 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2d85 h MET 111 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 2d85 h MET 111 CO 0.07 0.00 0.49 0.78 1.06 0.00 0.00 176.91 179.31 2d85 h GLY 112 N 4.40 0.00 1.71 8.32 0.00 -0.60 0.58 103.07 117.47 2d85 h GLY 112 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2d85 h GLY 112 CO 0.00 0.00 -0.73 0.50 0.00 0.00 0.00 176.54 176.31 2d85 h LYS 113 N 0.00 0.28 -1.84 4.80 1.57 -1.80 -3.22 116.57 116.36 2d85 h LYS 113 Ca 0.00 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2d85 h LYS 113 Cb 0.97 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 2d85 h LYS 113 CO 0.00 0.90 0.07 0.41 -0.57 0.00 0.00 179.45 180.25 2d85 n GLY 114 N 0.56 2.71 3.59 3.86 0.00 0.20 -4.80 105.19 111.31 2d85 n GLY 114 Ca -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.30 0.41 -0.60 1.61 1.75 -1.22 -5.06 119.30 115.90 2d85 s MET 115 Ca 0.05 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.34 2d85 s MET 115 Cb 0.04 0.18 0.40 0.00 2.84 0.00 0.00 34.83 38.28 2d85 s MET 115 CO 0.00 -0.18 1.52 0.36 -0.65 0.00 0.00 175.02 176.07 2d85 n LYS 116 N -0.18 3.14 -4.35 4.11 2.85 -1.26 -4.97 118.16 117.50 2d85 n LYS 116 Ca -0.02 -4.04 -0.18 0.00 -1.05 0.00 0.00 58.31 53.02 2d85 n LYS 116 Cb 0.59 -2.26 -0.10 0.00 -0.65 0.00 0.00 35.03 32.61 2d85 n LYS 116 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2d85 s ARG 117 N -3.77 1.39 -0.14 -1.58 1.70 -1.26 -5.15 118.95 110.14 2d85 s ARG 117 Ca 0.51 -1.71 -0.02 0.00 -0.47 0.00 0.00 55.73 54.03 2d85 s ARG 117 Cb 0.42 -0.68 -0.02 0.00 -0.57 0.00 0.00 34.95 34.09 2d85 s ARG 117 CO -0.26 -0.10 -0.07 0.54 -1.08 0.00 0.00 175.30 174.34 2d85 s VAL 118 N -3.38 3.60 -0.17 4.99 0.11 -1.26 -5.02 120.40 119.28 2d85 s VAL 118 Ca 0.30 -0.47 -0.13 0.00 -2.93 0.00 0.00 61.98 58.75 2d85 s VAL 118 Cb 0.06 -2.55 -0.07 0.00 -1.53 0.00 0.00 36.38 32.28 2d85 s VAL 118 CO 0.10 0.51 -0.14 -0.24 -3.33 0.00 0.00 175.10 172.00 2d85 n SER 119 N 3.45 1.84 -0.50 3.54 2.88 -1.26 -5.08 113.62 118.48 2d85 n SER 119 Ca -0.18 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2d85 n SER 119 Cb 0.53 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 1.54 -1.08 0.63 0.46 0.00 -1.26 -4.89 105.19 100.60 2d85 n GLY 120 Ca -0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.01 -1.41 -4.43 1.61 -0.04 -1.26 -5.07 135.00 123.39 2d85 n PRO 121 Ca 0.00 -0.32 -0.24 0.00 -0.04 0.00 0.00 63.50 62.90 2d85 n PRO 121 Cb 0.00 -0.30 -0.17 0.00 -0.04 0.00 0.00 33.50 33.00 2d85 n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d85 s SER 122 N -2.04 1.67 0.70 3.54 0.15 -1.26 -5.13 113.70 111.33 2d85 s SER 122 Ca 0.13 -0.27 -0.16 0.00 0.70 0.00 0.00 55.95 56.35 2d85 s SER 122 Cb -0.01 -0.76 0.02 0.00 -1.71 0.00 0.00 66.02 63.56 2d85 s SER 122 CO 0.10 0.00 1.25 -0.55 1.20 0.00 0.00 173.24 175.24 2d85 s SER 123 N 0.83 4.30 0.00 5.45 0.15 -1.26 -5.29 113.70 117.88 2d85 s SER 123 Ca -0.12 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.03 2d85 s SER 123 Cb -0.15 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2d85 s SER 123 CO 0.02 -2.20 0.08 0.61 1.20 0.00 0.00 173.24 172.95