#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 4.80 0.21 1.61 0.15 -1.26 -4.71 113.70 114.49 2d85 s SER 2 Ca 0.00 -2.59 -0.08 0.00 0.70 0.00 0.00 55.95 53.98 2d85 s SER 2 Cb 0.00 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2d85 s SER 2 CO 0.00 -0.35 0.31 -0.44 1.20 0.00 0.00 173.24 173.96 2d85 s SER 3 N 0.60 0.02 -0.01 5.45 0.01 -1.26 -5.17 113.70 113.34 2d85 s SER 3 Ca 0.14 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.37 2d85 s SER 3 Cb -0.22 0.48 -0.00 0.00 0.21 0.00 0.00 66.02 66.48 2d85 s SER 3 CO -0.04 -0.98 -0.08 -0.83 0.41 0.00 0.00 173.24 171.73 2d85 s GLY 4 N -3.05 0.43 0.00 3.44 0.00 -1.26 -4.88 107.32 102.01 2d85 s GLY 4 Ca 0.26 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 44.37 2d85 s GLY 4 CO 0.07 -0.18 0.70 -0.56 0.00 0.00 0.00 173.10 173.13 2d85 s SER 5 N -0.01 -0.59 -0.10 1.64 0.01 -1.26 -5.12 113.70 108.27 2d85 s SER 5 Ca 0.00 0.45 -0.35 0.00 1.31 0.00 0.00 55.95 57.36 2d85 s SER 5 Cb -0.05 0.53 -0.17 0.00 0.21 0.00 0.00 66.02 66.53 2d85 s SER 5 CO -0.00 -0.69 1.00 -0.24 0.41 0.00 0.00 173.24 173.72 2d85 n SER 6 N 0.46 0.24 -0.41 2.44 2.88 -1.26 -4.50 113.62 113.48 2d85 n SER 6 Ca -0.17 0.97 0.05 0.00 -1.33 0.00 0.00 58.87 58.40 2d85 n SER 6 Cb 0.60 -0.76 -0.01 0.00 -0.75 0.00 0.00 64.21 63.28 2d85 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d85 n GLY 7 N 1.75 -2.15 2.79 0.46 0.00 -1.26 -4.58 105.19 102.20 2d85 n GLY 7 Ca 0.19 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 2d85 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d85 n ASN 8 N -1.84 4.95 -0.06 1.61 4.13 -1.26 -4.74 115.26 118.04 2d85 n ASN 8 Ca 0.00 -3.63 -0.13 0.00 1.68 0.00 0.00 54.58 52.51 2d85 n ASN 8 Cb 0.18 -0.73 -0.14 0.00 -1.54 0.00 0.00 39.78 37.55 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2d85 n ASP 9 N 0.09 0.98 0.13 6.41 8.00 -1.26 -4.25 116.55 126.65 2d85 n ASP 9 Ca 0.33 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.75 2d85 n ASP 9 Cb 0.37 0.11 -0.15 0.00 -0.02 0.00 0.00 41.12 41.43 2d85 n ASP 9 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2d85 h ASP 10 N 0.01 0.74 0.05 -2.24 3.32 -1.92 -3.20 116.42 113.18 2d85 h ASP 10 Ca -0.45 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 55.82 2d85 h ASP 10 Cb 2.08 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.39 2d85 h ASP 10 CO 0.03 1.60 0.00 0.00 -1.72 0.00 0.00 179.24 179.15 2d85 n ILE 11 N -3.68 1.56 -0.29 0.35 3.06 -1.26 -2.34 119.36 116.76 2d85 n ILE 11 Ca -0.14 0.57 0.14 0.00 -2.50 0.00 0.00 62.75 60.81 2d85 n ILE 11 Cb 1.07 -1.55 0.39 0.00 0.54 0.00 0.00 39.64 40.09 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 0.77 0.00 9.51 2.04 -1.73 0.14 117.51 128.24 2d85 h ILE 12 Ca 0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2d85 h ILE 12 Cb 0.03 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2d85 h ILE 12 CO 0.00 0.12 -0.13 0.58 0.00 0.00 0.00 178.15 178.72 2d85 h VAL 13 N 0.65 1.01 -0.73 1.67 2.07 -1.73 -3.21 116.25 115.98 2d85 h VAL 13 Ca 0.49 -1.80 0.16 0.00 0.82 0.00 0.00 66.70 66.37 2d85 h VAL 13 Cb 0.87 1.96 -0.11 0.00 -1.52 0.00 0.00 31.29 32.49 2d85 h VAL 13 CO -0.24 0.34 0.18 -1.13 0.02 0.00 0.00 177.57 176.74 2d85 h ASN 14 N -1.00 0.02 0.04 0.57 -0.00 -1.62 -1.12 115.58 112.46 2d85 h ASN 14 Ca -0.03 0.15 0.02 0.00 -0.00 0.00 0.00 56.30 56.44 2d85 h ASN 14 Cb 0.66 0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 39.14 2d85 h ASN 14 CO -0.02 -0.03 -0.16 -0.25 -0.00 0.00 0.00 177.43 176.97 2d85 h TRP 15 N 0.27 -0.41 -0.24 0.67 7.01 -0.86 -1.56 115.95 120.82 2d85 h TRP 15 Ca 0.41 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.48 2d85 h TRP 15 Cb 0.70 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.87 2d85 h TRP 15 CO -0.26 -0.23 -0.19 0.28 -2.79 0.00 0.00 178.44 175.25 2d85 h VAL 16 N -0.28 0.48 -0.05 2.65 2.07 -1.24 0.89 116.25 120.77 2d85 h VAL 16 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2d85 h VAL 16 Cb 0.33 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2d85 h VAL 16 CO -0.12 0.00 -0.30 0.78 0.02 0.00 0.00 177.57 177.94 2d85 h ASN 17 N -0.18 -0.92 0.49 0.57 2.35 -1.05 -1.89 115.58 114.95 2d85 h ASN 17 Ca 0.14 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2d85 h ASN 17 Cb 0.39 0.38 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2d85 h ASN 17 CO -0.35 -0.36 -0.39 -0.33 -1.65 0.00 0.00 177.43 174.34 2d85 h GLU 18 N -0.43 -0.83 -1.23 0.81 5.08 -0.84 0.39 114.58 117.53 2d85 h GLU 18 Ca 0.07 0.06 0.46 0.00 -1.00 0.00 0.00 59.36 58.95 2d85 h GLU 18 Cb 0.54 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 29.82 2d85 h GLU 18 CO -0.29 -0.55 0.75 2.41 -1.00 0.00 0.00 179.01 180.33 2d85 n THR 19 N -4.82 -0.32 0.10 1.13 -1.04 0.27 0.15 114.28 109.75 2d85 n THR 19 Ca -0.10 1.89 -0.20 0.00 -2.04 0.00 0.00 64.05 63.61 2d85 n THR 19 Cb 0.38 -3.09 -0.15 0.00 -1.82 0.00 0.00 70.33 65.64 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 0.56 -0.47 -4.42 3.38 -0.73 -3.18 115.31 110.44 2d85 h LEU 20 Ca 0.87 -0.67 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2d85 h LEU 20 Cb 2.61 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 43.15 2d85 h LEU 20 CO -0.59 1.54 0.29 -0.09 0.09 0.00 0.00 178.44 179.69 2d85 h ARG 21 N 0.10 0.57 0.00 1.13 2.43 0.57 0.12 114.38 119.30 2d85 h ARG 21 Ca -0.23 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 2d85 h ARG 21 Cb 2.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.47 2d85 h ARG 21 CO 0.21 0.37 -0.31 1.05 -1.51 0.00 0.00 179.97 179.79 2d85 h GLU 22 N 0.58 0.00 -0.00 0.20 4.11 -1.05 -1.83 114.58 116.59 2d85 h GLU 22 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 2d85 h GLU 22 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2d85 h GLU 22 CO -0.08 0.31 -0.23 0.00 0.07 0.00 0.00 179.01 179.08 2d85 n ALA 23 N -2.48 2.97 -3.11 1.06 0.00 -0.71 -4.94 120.51 113.29 2d85 n ALA 23 Ca -0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 2d85 n ALA 23 Cb 0.35 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.20 -5.01 -3.57 0.00 -0.58 0.26 -5.01 120.64 105.53 2d85 n GLU 24 Ca 0.10 0.58 -0.34 0.00 -0.42 0.00 0.00 57.16 57.08 2d85 n GLU 24 Cb 0.32 -4.84 -0.05 0.00 -0.57 0.00 0.00 31.44 26.30 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 -5.36 3.74 -0.01 3.49 3.01 -0.26 -4.98 119.74 119.37 2d85 s LYS 25 Ca 0.18 0.14 0.10 0.00 -1.01 0.00 0.00 55.97 55.37 2d85 s LYS 25 Cb -0.08 -2.92 0.29 0.00 -1.01 0.00 0.00 37.83 34.11 2d85 s LYS 25 CO 0.51 0.51 1.22 0.45 0.51 0.00 0.00 175.35 178.54 2d85 n SER 26 N 0.59 1.84 -4.90 2.83 2.88 -1.26 -4.75 113.62 110.85 2d85 n SER 26 Ca -0.06 -2.04 -0.26 0.00 -1.33 0.00 0.00 58.87 55.19 2d85 n SER 26 Cb 0.52 -0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 2d85 n SER 26 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d85 s SER 27 N -0.94 6.10 -0.10 -3.46 1.04 -1.26 -5.08 113.70 109.99 2d85 s SER 27 Ca 0.22 0.08 -0.33 0.00 0.48 0.00 0.00 55.95 56.41 2d85 s SER 27 Cb 0.12 -1.77 0.13 0.00 0.10 0.00 0.00 66.02 64.59 2d85 s SER 27 CO 0.14 0.06 1.17 -0.94 0.98 0.00 0.00 173.24 174.65 2d85 s SER 28 N -3.17 -0.15 0.00 7.02 1.04 -1.26 -4.89 113.70 112.29 2d85 s SER 28 Ca 0.33 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.74 2d85 s SER 28 Cb -0.11 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2d85 s SER 28 CO 0.27 -0.34 -0.12 0.27 0.98 0.00 0.00 173.24 174.30 2d85 s ILE 29 N -2.56 0.93 -0.06 -1.02 -4.36 -1.26 -4.72 121.20 108.14 2d85 s ILE 29 Ca 0.10 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 2d85 s ILE 29 Cb 0.00 -0.80 -0.26 0.00 1.25 0.00 0.00 42.46 42.66 2d85 s ILE 29 CO -0.05 0.17 0.59 -1.28 0.24 0.00 0.00 174.94 174.61 2d85 h SER 30 N 5.60 0.28 -5.52 4.36 0.87 -1.96 -3.47 113.55 113.71 2d85 h SER 30 Ca -0.34 -0.56 0.24 0.00 -1.23 0.00 0.00 61.79 59.90 2d85 h SER 30 Cb 1.17 -0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.95 2d85 h SER 30 CO 0.48 1.49 0.63 -0.94 -0.53 0.00 0.00 176.83 177.96 2d85 s SER 31 N -6.73 -0.11 0.59 6.23 1.04 -1.26 -4.93 113.70 108.53 2d85 s SER 31 Ca -0.13 -0.33 0.29 0.00 0.48 0.00 0.00 55.95 56.26 2d85 s SER 31 Cb 0.07 0.36 1.41 0.00 0.10 0.00 0.00 66.02 67.96 2d85 s SER 31 CO 0.81 -0.67 1.82 -0.26 0.98 0.00 0.00 173.24 175.91 2d85 h PHE 32 N 2.00 0.00 -0.94 5.02 0.04 -1.99 0.38 116.94 121.45 2d85 h PHE 32 Ca -0.27 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.89 2d85 h PHE 32 Cb 1.22 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 39.07 2d85 h PHE 32 CO 0.50 0.00 0.60 1.63 -0.60 0.00 0.00 178.31 180.44 2d85 n LYS 33 N -3.68 2.67 -2.60 1.51 5.02 -1.26 -4.66 118.16 115.16 2d85 n LYS 33 Ca 0.11 -3.33 -0.41 0.00 -2.02 0.00 0.00 58.31 52.66 2d85 n LYS 33 Cb 0.81 -2.25 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.97 7.36 0.09 4.39 2.15 0.13 -4.97 116.67 123.86 2d85 s ASP 34 Ca 0.61 1.98 -0.16 0.00 0.43 0.00 0.00 52.55 55.41 2d85 s ASP 34 Cb 0.49 -2.60 -0.10 0.00 -0.30 0.00 0.00 42.92 40.41 2d85 s ASP 34 CO 0.02 -0.15 1.41 1.55 -0.17 0.00 0.00 175.17 177.82 2d85 h PRO 35 N 5.26 0.63 -0.80 4.34 0.13 -1.94 -3.06 132.00 136.55 2d85 h PRO 35 Ca -0.44 -0.33 0.23 0.00 -0.87 0.00 0.00 66.00 64.60 2d85 h PRO 35 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2d85 h PRO 35 CO 0.72 0.93 0.58 0.87 -0.23 0.00 0.00 178.00 180.87 2d85 h LYS 36 N 0.35 0.02 -0.30 0.86 6.56 -1.93 0.23 116.57 122.35 2d85 h LYS 36 Ca 0.04 -0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.72 2d85 h LYS 36 Cb 0.81 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.45 2d85 h LYS 36 CO 0.06 0.01 0.22 0.82 -2.06 0.00 0.00 179.45 178.50 2d85 h ILE 37 N 0.02 0.82 -0.10 1.86 2.04 -1.86 -0.05 117.51 120.24 2d85 h ILE 37 Ca 0.38 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.27 2d85 h ILE 37 Cb 1.52 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2d85 h ILE 37 CO -0.01 0.00 0.20 0.77 0.00 0.00 0.00 178.15 179.11 2d85 h SER 38 N 0.00 0.00 0.17 1.72 4.64 -0.70 0.43 113.55 119.81 2d85 h SER 38 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2d85 h SER 38 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2d85 h SER 38 CO -0.00 0.00 -0.71 0.35 -0.87 0.00 0.00 176.83 175.60 2d85 n THR 39 N -3.38 0.00 -1.99 2.95 -2.24 -0.03 -4.75 114.28 104.84 2d85 n THR 39 Ca -0.00 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 2d85 n THR 39 Cb 0.29 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.21 -4.67 0.07 3.42 7.64 0.15 -4.86 113.62 114.16 2d85 n SER 40 Ca 0.06 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 2d85 n SER 40 Cb 0.35 -3.71 -0.09 0.00 -1.01 0.00 0.00 64.21 59.76 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 -0.18 -0.70 -3.43 3.38 -1.79 -0.61 115.31 111.99 2d85 h LEU 41 Ca -0.34 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.20 2d85 h LEU 41 Cb 1.17 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2d85 h LEU 41 CO 0.44 0.23 -0.43 1.55 0.09 0.00 0.00 178.44 180.31 2d85 h PRO 42 N -0.61 0.49 -0.26 1.13 0.13 -1.84 -1.24 132.00 129.79 2d85 h PRO 42 Ca -0.02 -0.26 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 2d85 h PRO 42 Cb 0.46 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 2d85 h PRO 42 CO 0.03 0.83 -0.54 0.28 -0.23 0.00 0.00 178.00 178.37 2d85 h VAL 43 N 0.40 1.29 0.22 1.56 2.07 -1.92 -1.40 116.25 118.46 2d85 h VAL 43 Ca 0.03 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2d85 h VAL 43 Cb 0.92 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2d85 h VAL 43 CO 0.08 0.56 -0.11 -0.07 0.02 0.00 0.00 177.57 178.06 2d85 h LEU 44 N 0.61 -0.25 -0.44 2.57 3.38 -1.06 -3.20 115.31 116.91 2d85 h LEU 44 Ca 0.01 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2d85 h LEU 44 Cb 1.14 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2d85 h LEU 44 CO 0.12 0.27 0.15 0.44 0.09 0.00 0.00 178.44 179.51 2d85 h ASP 45 N -0.92 0.16 -1.05 -0.43 3.32 -1.33 -1.40 116.42 114.77 2d85 h ASP 45 Ca -0.03 0.05 0.29 0.00 0.02 0.00 0.00 57.03 57.36 2d85 h ASP 45 Cb 0.49 0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.96 2d85 h ASP 45 CO 0.05 0.12 0.64 0.25 -1.72 0.00 0.00 179.24 178.58 2d85 h LEU 46 N 0.32 0.52 0.23 1.55 5.85 -1.35 0.10 115.31 122.54 2d85 h LEU 46 Ca 0.21 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2d85 h LEU 46 Cb 0.20 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2d85 h LEU 46 CO -0.21 0.01 -0.11 0.40 -0.34 0.00 0.00 178.44 178.19 2d85 h ILE 47 N 0.41 0.70 -0.81 4.05 2.04 -1.26 -3.27 117.51 119.37 2d85 h ILE 47 Ca 0.67 -0.93 0.16 0.00 1.00 0.00 0.00 64.86 65.76 2d85 h ILE 47 Cb 1.56 1.14 -0.10 0.00 -0.74 0.00 0.00 36.82 38.68 2d85 h ILE 47 CO -0.44 0.17 0.36 -0.78 0.00 0.00 0.00 178.15 177.45 2d85 h ASP 48 N -0.87 0.36 -0.85 1.72 1.82 -0.78 -0.73 116.42 117.08 2d85 h ASP 48 Ca -0.03 0.11 0.15 0.00 -0.39 0.00 0.00 57.03 56.87 2d85 h ASP 48 Cb 0.51 0.07 -0.15 0.00 0.68 0.00 0.00 39.33 40.44 2d85 h ASP 48 CO 0.05 0.12 -0.33 0.00 -1.61 0.00 0.00 179.24 177.47 2d85 h ALA 49 N 1.58 0.21 -0.00 -0.78 0.00 -0.90 -1.15 119.26 118.22 2d85 h ALA 49 Ca 0.45 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.61 2d85 h ALA 49 Cb 0.71 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2d85 h ALA 49 CO -0.41 -0.58 -0.07 0.82 0.00 0.00 0.00 179.25 179.00 2d85 h ILE 50 N -0.05 1.59 -3.52 0.00 2.04 -1.42 -3.40 117.51 112.75 2d85 h ILE 50 Ca 0.33 -1.82 -0.69 0.00 1.00 0.00 0.00 64.86 63.68 2d85 h ILE 50 Cb 0.60 2.79 -0.36 0.00 -0.74 0.00 0.00 36.82 39.11 2d85 h ILE 50 CO -0.88 0.48 -0.43 -1.58 0.00 0.00 0.00 178.15 175.74 2d85 s GLN 51 N -3.17 2.40 -0.09 2.37 2.00 -0.37 -5.07 119.66 117.72 2d85 s GLN 51 Ca -0.17 -2.44 -0.30 0.00 -2.00 0.00 0.00 55.36 50.45 2d85 s GLN 51 Cb -0.00 -3.65 -0.04 0.00 0.80 0.00 0.00 33.01 30.12 2d85 s GLN 51 CO 0.70 -1.15 1.52 -1.25 -0.50 0.00 0.00 175.29 174.61 2d85 s PRO 52 N 0.07 4.20 0.00 1.67 0.04 -0.52 -3.25 135.00 137.21 2d85 s PRO 52 Ca 0.16 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2d85 s PRO 52 Cb -0.21 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.43 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 3.94 2.71 0.35 0.56 0.00 -1.26 -4.96 105.19 106.54 2d85 n GLY 53 Ca 0.16 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.53 2d85 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d85 h SER 54 N 2.00 0.88 -2.84 1.61 4.64 -1.91 -3.41 113.55 114.52 2d85 h SER 54 Ca 0.00 0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.77 2d85 h SER 54 Cb 0.00 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 61.90 2d85 h SER 54 CO 0.00 0.49 -0.53 -0.63 -0.87 0.00 0.00 176.83 175.29 2d85 s ILE 55 N -5.98 5.00 -0.25 0.95 -1.09 -1.26 -5.07 121.20 113.50 2d85 s ILE 55 Ca -0.12 -0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.59 2d85 s ILE 55 Cb 0.21 -3.49 0.11 0.00 -1.58 0.00 0.00 42.46 37.72 2d85 s ILE 55 CO 0.80 0.03 0.25 0.21 -1.23 0.00 0.00 174.94 175.01 2d85 s ASN 56 N -2.79 1.58 0.29 3.58 2.47 -1.26 -5.02 114.94 113.79 2d85 s ASN 56 Ca 0.33 -0.48 0.04 0.00 0.42 0.00 0.00 52.86 53.17 2d85 s ASN 56 Cb -0.12 0.43 0.70 0.00 -1.45 0.00 0.00 41.25 40.81 2d85 s ASN 56 CO 0.26 -0.36 1.74 1.88 -3.72 0.00 0.00 177.10 176.90 2d85 h TYR 57 N 8.29 0.83 -1.12 0.43 -1.99 -1.99 0.16 116.97 121.57 2d85 h TYR 57 Ca -0.16 0.04 0.33 0.00 2.00 0.00 0.00 58.73 60.93 2d85 h TYR 57 Cb 1.11 -0.22 -0.11 0.00 2.00 0.00 0.00 36.73 39.51 2d85 h TYR 57 CO 0.20 0.09 0.71 0.22 -0.00 0.00 0.00 178.16 179.39 2d85 h ASP 58 N 0.57 0.40 0.35 3.88 3.58 -2.00 0.15 116.42 123.34 2d85 h ASP 58 Ca 0.55 0.11 -0.32 0.00 0.42 0.00 0.00 57.03 57.79 2d85 h ASP 58 Cb 0.94 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2d85 h ASP 58 CO -0.44 -0.03 -1.75 -0.07 -2.88 0.00 0.00 179.24 174.07 2d85 h LEU 59 N 0.29 0.28-10.10 2.28 3.38 -1.17 -3.47 115.31 106.81 2d85 h LEU 59 Ca 0.68 -0.53 -0.55 0.00 0.09 0.00 0.00 57.88 57.57 2d85 h LEU 59 Cb 1.85 -0.09 0.17 0.00 0.09 0.00 0.00 40.66 42.68 2d85 h LEU 59 CO -0.38 1.47 0.39 0.18 0.09 0.00 0.00 178.44 180.18 2d85 n LEU 60 N -3.34 5.13 -0.02 1.67 4.77 0.52 -4.99 117.00 120.74 2d85 n LEU 60 Ca -0.22 0.74 -0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2d85 n LEU 60 Cb 1.05 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2d85 n LEU 60 CO 0.46 -1.38 -0.03 0.11 -1.33 0.00 0.00 177.39 175.22 2d85 h LYS 61 N 0.02 0.00 -5.43 3.23 1.79 -1.92 -3.47 116.57 110.79 2d85 h LYS 61 Ca -0.49 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.68 2d85 h LYS 61 Cb 1.33 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.88 2d85 h LYS 61 CO 0.50 0.00 -0.43 -2.37 -1.08 0.00 0.00 179.45 176.07 2d85 n THR 62 N -2.85 -0.49 -3.39 -0.16 5.66 -1.26 -4.89 114.28 106.89 2d85 n THR 62 Ca -0.01 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2d85 n THR 62 Cb 0.02 -1.07 -0.09 0.00 -1.55 0.00 0.00 70.33 67.64 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2d85 s GLU 63 N -5.82 0.31 -1.43 1.09 -1.05 -1.26 -4.92 118.70 105.61 2d85 s GLU 63 Ca 0.31 0.20 -0.03 0.00 -0.15 0.00 0.00 54.97 55.30 2d85 s GLU 63 Cb -0.17 -0.70 0.02 0.00 -0.44 0.00 0.00 34.13 32.85 2d85 s GLU 63 CO 0.39 -0.81 0.55 0.09 0.95 0.00 0.00 175.26 176.42 2d85 n ASN 64 N 5.34 -1.11 -4.53 0.83 3.02 -1.26 -4.91 115.26 112.63 2d85 n ASN 64 Ca -0.03 -0.96 -0.30 0.00 -0.03 0.00 0.00 54.58 53.26 2d85 n ASN 64 Cb 0.49 -3.25 0.21 0.00 -0.61 0.00 0.00 39.78 36.62 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 -4.40 0.43 -3.76 3.41 4.77 -1.26 -5.02 117.00 111.16 2d85 n LEU 65 Ca -0.24 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 2d85 n LEU 65 Cb 0.65 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 2d85 n LEU 65 CO 0.75 -2.87 0.36 0.54 -1.33 0.00 0.00 177.39 174.85 2d85 s ASN 66 N -2.43 -0.29 0.48 -1.43 2.20 -1.26 -4.87 114.94 107.34 2d85 s ASN 66 Ca 0.66 -0.50 0.42 0.00 -0.94 0.00 0.00 52.86 52.50 2d85 s ASN 66 Cb -0.23 0.64 1.53 0.00 -2.00 0.00 0.00 41.25 41.19 2d85 s ASN 66 CO 0.63 -1.17 1.43 0.47 -2.94 0.00 0.00 177.10 175.52 2d85 n ASP 67 N -0.40 0.05 0.04 3.54 9.92 -1.26 0.11 116.55 128.54 2d85 n ASP 67 Ca -0.08 1.00 -0.03 0.00 -0.53 0.00 0.00 54.79 55.16 2d85 n ASP 67 Cb 0.61 -0.50 -0.01 0.00 -0.64 0.00 0.00 41.12 40.58 2d85 n ASP 67 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2d85 h ASP 68 N 0.00 -0.16 0.52 -2.24 1.82 -2.00 -3.28 116.42 111.08 2d85 h ASP 68 Ca 0.85 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 57.47 2d85 h ASP 68 Cb 3.24 0.04 0.01 0.00 0.68 0.00 0.00 39.33 43.30 2d85 h ASP 68 CO -0.12 0.26 -0.25 -0.33 -1.61 0.00 0.00 179.24 177.19 2d85 h GLU 69 N -0.93 -0.67 -0.78 0.28 4.39 -1.00 -3.08 114.58 112.80 2d85 h GLU 69 Ca -0.02 0.05 0.31 0.00 0.34 0.00 0.00 59.36 60.03 2d85 h GLU 69 Cb 0.14 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 28.80 2d85 h GLU 69 CO 0.03 -0.36 0.35 1.63 -1.16 0.00 0.00 179.01 179.50 2d85 n LYS 70 N -5.29 -0.05 0.47 2.33 5.02 0.29 0.30 118.16 121.23 2d85 n LYS 70 Ca -0.11 1.09 -0.19 0.00 -2.02 0.00 0.00 58.31 57.08 2d85 n LYS 70 Cb 0.32 -1.92 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 2d85 n LYS 70 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2d85 h LEU 71 N 0.00 -1.11 -0.95 -0.35 5.85 -1.59 -1.78 115.31 115.37 2d85 h LEU 71 Ca 0.63 0.05 0.29 0.00 0.84 0.00 0.00 57.88 59.69 2d85 h LEU 71 Cb 1.62 0.30 -0.16 0.00 0.37 0.00 0.00 40.66 42.79 2d85 h LEU 71 CO -0.62 -0.75 0.31 0.78 -0.34 0.00 0.00 178.44 177.81 2d85 h ASN 72 N -1.23 0.04 -0.32 1.25 2.35 -0.19 0.49 115.58 117.97 2d85 h ASN 72 Ca -0.12 0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2d85 h ASN 72 Cb 0.96 0.29 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 2d85 h ASN 72 CO 0.18 -0.25 0.14 0.78 -1.65 0.00 0.00 177.43 176.62 2d85 h ASN 73 N 0.15 0.43 -0.70 5.81 2.35 -1.19 -1.71 115.58 120.73 2d85 h ASN 73 Ca 0.65 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 56.22 2d85 h ASN 73 Cb 1.45 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.68 2d85 h ASN 73 CO -0.73 0.47 0.33 0.00 -1.65 0.00 0.00 177.43 175.85 2d85 h ALA 74 N 0.99 0.90 -0.60 -0.83 0.00 0.74 0.75 119.26 121.20 2d85 h ALA 74 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2d85 h ALA 74 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2d85 h ALA 74 CO -0.01 0.47 0.25 0.87 0.00 0.00 0.00 179.25 180.83 2d85 h LYS 75 N 0.97 0.87 -0.02 0.00 1.57 -0.63 -1.81 116.57 117.53 2d85 h LYS 75 Ca 0.24 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2d85 h LYS 75 Cb 0.13 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2d85 h LYS 75 CO -0.03 0.71 -0.23 -0.92 -0.57 0.00 0.00 179.45 178.40 2d85 h TYR 76 N 0.86 0.27 -0.14 -1.35 3.20 -0.90 -1.96 116.97 116.97 2d85 h TYR 76 Ca 0.21 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2d85 h TYR 76 Cb 0.15 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 2d85 h TYR 76 CO 0.01 0.90 -0.22 0.00 -1.64 0.00 0.00 178.16 177.21 2d85 h ALA 77 N 0.32 -0.18 -0.16 1.82 0.00 -0.73 -0.18 119.26 120.15 2d85 h ALA 77 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2d85 h ALA 77 Cb 0.95 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2d85 h ALA 77 CO 0.05 -0.68 0.05 0.82 0.00 0.00 0.00 179.25 179.49 2d85 h ILE 78 N -0.28 1.18 -0.47 0.00 2.04 -1.44 -2.73 117.51 115.81 2d85 h ILE 78 Ca 0.10 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.50 2d85 h ILE 78 Cb 0.43 1.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.67 2d85 h ILE 78 CO -0.30 0.17 -0.12 0.28 0.00 0.00 0.00 178.15 178.18 2d85 h SER 79 N 0.08 -0.45 0.06 1.72 0.02 -0.98 -1.99 113.55 112.01 2d85 h SER 79 Ca 0.05 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2d85 h SER 79 Cb 0.22 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2d85 h SER 79 CO -0.00 -0.16 -0.23 0.24 -1.14 0.00 0.00 176.83 175.54 2d85 h MET 80 N -0.01 -0.39 -0.98 3.45 2.86 -0.95 -1.05 114.93 117.86 2d85 h MET 80 Ca 0.23 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.05 2d85 h MET 80 Cb 0.35 0.09 -0.16 0.00 0.06 0.00 0.00 31.60 31.94 2d85 h MET 80 CO -0.49 -0.26 -0.35 0.00 1.06 0.00 0.00 176.91 176.87 2d85 n ALA 81 N -2.59 -0.05 -0.05 6.32 0.00 -0.77 0.95 120.51 124.32 2d85 n ALA 81 Ca -0.06 0.99 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 2d85 n ALA 81 Cb 0.27 -0.48 0.14 0.00 0.00 0.00 0.00 19.45 19.38 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 0.68 0.17 0.00 2.43 -1.00 -2.25 114.38 114.40 2d85 h ARG 82 Ca 0.37 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2d85 h ARG 82 Cb 0.61 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2d85 h ARG 82 CO -0.98 0.83 -0.17 -0.22 -1.51 0.00 0.00 179.97 177.92 2d85 h LYS 83 N 0.60 -0.36 0.00 0.20 1.63 0.19 -1.44 116.57 117.39 2d85 h LYS 83 Ca 0.09 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2d85 h LYS 83 Cb 0.67 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2d85 h LYS 83 CO 0.05 -0.24 0.00 -0.84 -3.45 0.00 0.00 179.45 174.97 2d85 h ILE 84 N -0.38 0.00 0.00 2.00 3.07 -0.83 -3.47 117.51 117.91 2d85 h ILE 84 Ca 0.00 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.14 2d85 h ILE 84 Cb 0.36 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 2d85 h ILE 84 CO -0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.66 2d85 n GLY 85 N -0.21 2.08 2.46 0.16 0.00 -0.54 -5.08 105.19 104.06 2d85 n GLY 85 Ca 0.01 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 2d85 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d85 n ALA 86 N 0.00 0.19 -0.53 4.61 0.00 -0.90 -4.52 120.51 119.37 2d85 n ALA 86 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 2d85 n ALA 86 Cb 0.00 -1.59 0.22 0.00 0.00 0.00 0.00 19.45 18.08 2d85 n ALA 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2d85 n ARG 87 N 5.88 -2.44 -3.76 0.00 1.74 -1.26 -1.85 116.66 114.96 2d85 n ARG 87 Ca 0.45 -0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 56.70 2d85 n ARG 87 Cb 0.00 -1.88 -0.14 0.00 -1.02 0.00 0.00 32.46 29.43 2d85 n ARG 87 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d85 s VAL 88 N -2.27 -0.03 -0.12 1.55 -7.23 -1.26 -4.67 120.40 106.37 2d85 s VAL 88 Ca 0.61 0.12 0.15 0.00 -1.81 0.00 0.00 61.98 61.05 2d85 s VAL 88 Cb -0.17 -0.27 0.36 0.00 0.56 0.00 0.00 36.38 36.86 2d85 s VAL 88 CO 0.63 0.05 1.17 0.00 -0.31 0.00 0.00 175.10 176.64 2d85 n TYR 89 N 3.87 0.00 -3.93 2.82 9.36 -1.26 -5.06 117.16 122.95 2d85 n TYR 89 Ca -0.22 -1.01 -0.21 0.00 3.32 0.00 0.00 57.90 59.78 2d85 n TYR 89 Cb 0.54 -0.19 -0.01 0.00 -0.63 0.00 0.00 39.34 39.05 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 -0.64 0.60 -2.98 2.98 0.00 -1.26 -4.93 120.51 114.27 2d85 n ALA 90 Ca 0.13 -1.71 -0.25 0.00 0.00 0.00 0.00 53.44 51.62 2d85 n ALA 90 Cb 0.80 0.74 -0.16 0.00 0.00 0.00 0.00 19.45 20.84 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 1.87 0.18 0.00 2.96 -1.26 -5.04 118.68 117.39 2d85 s LEU 91 Ca 0.20 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2d85 s LEU 91 Cb -0.02 -0.88 0.07 0.00 0.50 0.00 0.00 46.19 45.87 2d85 s LEU 91 CO 0.13 0.13 1.52 1.55 -1.32 0.00 0.00 176.35 178.35 2d85 h PRO 92 N 6.35 0.75 -0.05 0.98 0.13 -1.95 -2.13 132.00 136.07 2d85 h PRO 92 Ca -0.32 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 64.42 2d85 h PRO 92 Cb 1.18 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2d85 h PRO 92 CO 0.48 1.02 0.07 0.93 -0.23 0.00 0.00 178.00 180.28 2d85 h GLU 93 N 0.61 0.00 0.08 0.86 4.39 -1.95 -2.08 114.58 116.48 2d85 h GLU 93 Ca 0.05 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.38 2d85 h GLU 93 Cb 0.97 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 2d85 h GLU 93 CO 0.09 0.00 -2.11 -0.25 -1.16 0.00 0.00 179.01 175.58 2d85 n ASP 94 N -3.62 1.97 -0.22 1.42 9.92 -1.11 -4.21 116.55 120.71 2d85 n ASP 94 Ca -0.02 0.13 0.12 0.00 -0.53 0.00 0.00 54.79 54.49 2d85 n ASP 94 Cb 0.16 -0.66 0.42 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.56 -1.75 0.64 5.85 -0.72 -0.36 115.31 119.57 2d85 h LEU 95 Ca -0.46 0.03 0.30 0.00 0.84 0.00 0.00 57.88 58.59 2d85 h LEU 95 Cb 2.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.89 2d85 h LEU 95 CO 0.04 0.30 0.75 0.58 -0.34 0.00 0.00 178.44 179.77 2d85 h VAL 96 N 0.60 0.47 -0.73 1.05 2.07 -1.61 0.63 116.25 118.74 2d85 h VAL 96 Ca 0.40 -0.05 -0.40 0.00 0.82 0.00 0.00 66.70 67.47 2d85 h VAL 96 Cb 0.70 0.30 -0.23 0.00 -1.52 0.00 0.00 31.29 30.54 2d85 h VAL 96 CO -0.16 0.03 0.31 -0.62 0.02 0.00 0.00 177.57 177.15 2d85 n GLU 97 N -4.37 2.18 -4.30 1.57 -0.58 -0.17 -4.61 120.64 110.36 2d85 n GLU 97 Ca 0.24 -3.17 -0.37 0.00 -0.42 0.00 0.00 57.16 53.45 2d85 n GLU 97 Cb 1.06 -2.05 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 2d85 n GLU 97 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2d85 n VAL 98 N -1.10 -0.92 -1.68 2.62 0.31 0.22 -4.78 118.33 113.01 2d85 n VAL 98 Ca 0.49 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 64.31 2d85 n VAL 98 Cb 1.29 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 2d85 n VAL 98 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2d85 s ASN 99 N -3.44 5.56 0.44 4.52 3.84 -1.04 -4.82 114.94 120.00 2d85 s ASN 99 Ca 0.66 1.82 0.23 0.00 0.21 0.00 0.00 52.86 55.79 2d85 s ASN 99 Cb -0.37 -2.51 0.99 0.00 -0.55 0.00 0.00 41.25 38.80 2d85 s ASN 99 CO 0.96 -1.89 1.87 1.55 -2.79 0.00 0.00 177.10 176.80 2d85 h PRO 100 N 14.53 0.00 0.00 0.43 0.13 -1.86 0.07 132.00 145.30 2d85 h PRO 100 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 2d85 h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2d85 h PRO 100 CO 0.97 0.24 -0.09 0.87 -0.23 0.00 0.00 178.00 179.77 2d85 h LYS 101 N 0.00 0.00 0.00 0.86 6.56 -1.97 -3.08 116.57 118.94 2d85 h LYS 101 Ca -0.00 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.30 2d85 h LYS 101 Cb 0.68 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.29 2d85 h LYS 101 CO 0.03 0.09 -1.89 -1.33 -2.06 0.00 0.00 179.45 174.29 2d85 n MET 102 N -3.22 0.46 0.28 3.15 2.81 -1.02 -4.44 117.12 115.15 2d85 n MET 102 Ca 0.00 0.20 0.11 0.00 -1.81 0.00 0.00 57.70 56.20 2d85 n MET 102 Cb 0.36 -1.28 0.48 0.00 -0.71 0.00 0.00 33.22 32.07 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 -0.80 0.03 -1.10 2.03 2.07 -1.10 -1.39 116.25 115.98 2d85 h VAL 103 Ca -0.43 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.48 2d85 h VAL 103 Cb 1.32 0.37 -0.15 0.00 -1.52 0.00 0.00 31.29 31.31 2d85 h VAL 103 CO -0.26 0.00 0.65 0.00 0.02 0.00 0.00 177.57 177.98 2d85 h MET 104 N 0.00 0.14 0.03 1.57 -0.00 -1.75 -0.37 114.93 114.55 2d85 h MET 104 Ca 0.05 -0.01 -0.38 0.00 -0.00 0.00 0.00 59.70 59.36 2d85 h MET 104 Cb 1.34 -0.03 -0.06 0.00 -0.00 0.00 0.00 31.60 32.86 2d85 h MET 104 CO -0.00 0.09 -2.30 -2.37 -0.00 0.00 0.00 176.91 172.33 2d85 n THR 105 N -5.01 1.56 -0.30 -0.10 5.66 -0.53 -3.45 114.28 112.11 2d85 n THR 105 Ca 0.36 -0.65 0.22 0.00 -3.05 0.00 0.00 64.05 60.93 2d85 n THR 105 Cb 1.23 -1.34 0.41 0.00 -1.55 0.00 0.00 70.33 69.08 2d85 n THR 105 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2d85 n VAL 106 N -3.23 -0.38 -0.10 1.08 0.31 -0.18 -0.77 118.33 115.06 2d85 n VAL 106 Ca -0.39 1.89 -0.18 0.00 -0.01 0.00 0.00 64.34 65.66 2d85 n VAL 106 Cb 1.03 -2.93 -0.08 0.00 -0.91 0.00 0.00 33.84 30.95 2d85 n VAL 106 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2d85 n PHE 107 N -5.16 0.80 -0.30 3.52 3.72 -1.00 -4.09 117.46 114.94 2d85 n PHE 107 Ca 0.28 0.35 0.08 0.00 -0.05 0.00 0.00 57.45 58.11 2d85 n PHE 107 Cb 0.94 -0.97 0.17 0.00 -0.94 0.00 0.00 39.48 38.69 2d85 n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d85 n ALA 108 N -3.65 0.30 -0.28 4.37 0.00 -0.66 0.23 120.51 120.82 2d85 n ALA 108 Ca -0.28 0.94 0.01 0.00 0.00 0.00 0.00 53.44 54.10 2d85 n ALA 108 Cb 0.59 -0.61 0.20 0.00 0.00 0.00 0.00 19.45 19.64 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 1.13 0.00 -1.39 0.00 3.38 0.28 -3.31 115.31 115.39 2d85 h LEU 110 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2d85 h LEU 110 Cb -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2d85 h LEU 110 CO -0.08 0.25 0.54 0.00 0.09 0.00 0.00 178.44 179.24 2d85 h MET 111 N -0.50 0.00 0.00 1.13 -0.00 0.01 -1.38 114.93 114.20 2d85 h MET 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2d85 h MET 111 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2d85 h MET 111 CO 0.00 0.00 0.62 0.78 -0.00 0.00 0.00 176.91 178.31 2d85 h GLY 112 N 0.00 0.00 -0.61 -3.00 0.00 -1.03 0.90 103.07 99.33 2d85 h GLY 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d85 h GLY 112 CO -0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 2d85 n LYS 113 N -2.64 1.24 0.00 4.80 3.00 -0.52 -4.17 118.16 119.87 2d85 n LYS 113 Ca -0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.03 2d85 n LYS 113 Cb 0.65 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.44 2d85 n LYS 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d85 n GLY 114 N 0.41 -1.76 0.00 3.14 0.00 0.31 -4.60 105.19 102.69 2d85 n GLY 114 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2d85 n GLY 114 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2d85 n MET 115 N 0.00 1.38 -4.53 1.61 0.00 -1.26 -4.99 117.12 109.33 2d85 n MET 115 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 57.70 57.40 2d85 n MET 115 Cb 0.00 -1.30 -0.10 0.00 0.00 0.00 0.00 33.22 31.82 2d85 n MET 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2d85 s LYS 116 N -2.67 1.93 0.08 3.17 0.00 -1.26 -5.16 119.74 115.84 2d85 s LYS 116 Ca 0.04 -1.98 -0.08 0.00 0.00 0.00 0.00 55.97 53.94 2d85 s LYS 116 Cb 0.12 -1.72 -0.00 0.00 0.00 0.00 0.00 37.83 36.23 2d85 s LYS 116 CO 0.68 0.04 0.18 1.03 0.00 0.00 0.00 175.35 177.28 2d85 s ARG 117 N -3.68 0.81 -0.14 1.78 0.52 -1.26 -4.08 118.95 112.91 2d85 s ARG 117 Ca 0.34 -0.93 -0.22 0.00 -0.52 0.00 0.00 55.73 54.40 2d85 s ARG 117 Cb 0.05 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 2d85 s ARG 117 CO 0.18 -0.25 0.68 0.08 0.02 0.00 0.00 175.30 176.01 2d85 s VAL 118 N -3.71 5.02 0.15 3.52 1.01 -1.26 -4.97 120.40 120.16 2d85 s VAL 118 Ca 0.04 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 2d85 s VAL 118 Cb 0.04 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2d85 s VAL 118 CO -0.10 0.17 1.55 0.77 0.00 0.00 0.00 175.10 177.48 2d85 h SER 119 N 7.12 -1.98 -5.00 3.32 4.64 -2.01 -3.48 113.55 116.17 2d85 h SER 119 Ca -0.35 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2d85 h SER 119 Cb 1.16 0.86 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2d85 h SER 119 CO 0.78 -0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 2d85 n GLY 120 N -1.32 3.22 0.20 -0.77 0.00 -1.26 -4.88 105.19 100.38 2d85 n GLY 120 Ca 0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 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 0.32 -4.65 1.61 0.13 -2.06 -3.42 132.00 123.93 2d85 h PRO 121 Ca 0.00 -0.17 -0.57 0.00 -0.87 0.00 0.00 66.00 64.39 2d85 h PRO 121 Cb 0.00 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 30.79 2d85 h PRO 121 CO 0.00 0.71 -0.83 0.45 -0.23 0.00 0.00 178.00 178.10 2d85 s SER 122 N -6.88 2.34 0.20 1.44 0.15 -1.26 -5.13 113.70 104.57 2d85 s SER 122 Ca -0.05 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.16 2d85 s SER 122 Cb 0.13 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 2d85 s SER 122 CO 0.79 -0.01 0.21 -0.94 1.20 0.00 0.00 173.24 174.49 2d85 s SER 123 N 1.08 0.10 0.00 5.45 1.04 -1.26 -5.16 113.70 114.95 2d85 s SER 123 Ca -0.05 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2d85 s SER 123 Cb -0.15 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2d85 s SER 123 CO -0.03 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.90