#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 6.06 0.66 1.61 0.15 -1.26 -5.07 113.70 115.85 2d85 s SER 2 Ca 0.00 -2.42 -0.17 0.00 0.70 0.00 0.00 55.95 54.06 2d85 s SER 2 Cb 0.00 -2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2d85 s SER 2 CO 0.00 -0.59 1.20 -0.44 1.20 0.00 0.00 173.24 174.61 2d85 s SER 3 N 2.13 4.75 -0.29 5.45 0.01 -1.26 -5.04 113.70 119.45 2d85 s SER 3 Ca 0.13 2.35 -0.14 0.00 1.31 0.00 0.00 55.95 59.60 2d85 s SER 3 Cb -0.19 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.57 2d85 s SER 3 CO -0.04 -1.89 0.81 -0.83 0.41 0.00 0.00 173.24 171.71 2d85 s GLY 4 N -1.85 -0.42 0.21 3.44 0.00 -1.26 -5.14 107.32 102.30 2d85 s GLY 4 Ca 0.76 2.71 -0.32 0.00 0.00 0.00 0.00 44.72 47.86 2d85 s GLY 4 CO 0.39 2.82 1.61 1.44 0.00 0.00 0.00 173.10 179.36 2d85 n SER 5 N 4.63 3.48 -3.66 1.64 7.64 -1.26 -4.98 113.62 121.11 2d85 n SER 5 Ca -0.15 1.09 -0.06 0.00 1.01 0.00 0.00 58.87 60.77 2d85 n SER 5 Cb 0.54 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.17 2d85 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d85 s SER 6 N 0.85 -0.68 0.00 6.43 0.01 -1.26 -5.01 113.70 114.04 2d85 s SER 6 Ca 0.74 1.26 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2d85 s SER 6 Cb -0.59 1.69 0.00 0.00 0.21 0.00 0.00 66.02 67.33 2d85 s SER 6 CO 0.39 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2d85 n GLY 7 N 5.25 -3.06 0.33 3.44 0.00 -1.26 -4.76 105.19 105.13 2d85 n GLY 7 Ca -0.12 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 1.72 0.01 1.61 3.02 -1.26 -4.62 115.26 115.74 2d85 n ASN 8 Ca 0.00 0.12 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 2d85 n ASN 8 Cb 0.00 -0.45 0.11 0.00 -0.61 0.00 0.00 39.78 38.83 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2d85 n ASP 9 N -3.56 0.65 0.08 6.41 9.92 -1.26 -3.90 116.55 124.90 2d85 n ASP 9 Ca -0.34 -0.42 0.12 0.00 -0.53 0.00 0.00 54.79 53.61 2d85 n ASP 9 Cb 0.77 0.53 0.45 0.00 -0.64 0.00 0.00 41.12 42.24 2d85 n ASP 9 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2d85 n ASP 10 N -1.60 0.46 0.08 -2.24 2.03 -1.26 -2.64 116.55 111.38 2d85 n ASP 10 Ca 0.04 0.58 0.11 0.00 0.52 0.00 0.00 54.79 56.05 2d85 n ASP 10 Cb 0.35 -0.69 0.44 0.00 -0.72 0.00 0.00 41.12 40.51 2d85 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d85 n ILE 11 N -1.97 0.73 0.23 5.18 3.06 -1.25 -3.00 119.36 122.34 2d85 n ILE 11 Ca 0.04 0.11 0.11 0.00 -2.50 0.00 0.00 62.75 60.51 2d85 n ILE 11 Cb 0.29 -0.93 0.69 0.00 0.54 0.00 0.00 39.64 40.23 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 0.89 0.00 9.51 2.04 -1.78 0.50 117.51 128.67 2d85 h ILE 12 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 2d85 h ILE 12 Cb 0.42 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2d85 h ILE 12 CO 0.00 0.00 -0.71 0.58 0.00 0.00 0.00 178.15 178.02 2d85 h VAL 13 N 0.00 1.26 -0.70 1.67 2.07 -1.80 -3.33 116.25 115.42 2d85 h VAL 13 Ca 0.03 -2.22 0.07 0.00 0.82 0.00 0.00 66.70 65.40 2d85 h VAL 13 Cb 0.14 2.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 2d85 h VAL 13 CO -0.00 0.43 0.39 -1.13 0.02 0.00 0.00 177.57 177.27 2d85 h ASN 14 N -1.00 0.57 -0.59 0.57 -0.73 -1.63 -2.08 115.58 110.69 2d85 h ASN 14 Ca -0.19 0.03 0.11 0.00 1.87 0.00 0.00 56.30 58.12 2d85 h ASN 14 Cb 1.15 -0.08 -0.09 0.00 0.27 0.00 0.00 38.32 39.58 2d85 h ASN 14 CO -0.12 0.36 0.10 -0.25 -0.37 0.00 0.00 177.43 177.15 2d85 h TRP 15 N 0.70 0.14 -0.28 0.67 7.01 -1.07 -1.23 115.95 121.89 2d85 h TRP 15 Ca 0.32 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.36 2d85 h TRP 15 Cb 0.23 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2d85 h TRP 15 CO -0.08 -0.06 0.19 0.28 -2.79 0.00 0.00 178.44 175.98 2d85 h VAL 16 N 0.22 1.07 -0.08 2.65 2.07 -1.49 -1.37 116.25 119.32 2d85 h VAL 16 Ca 0.31 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.74 2d85 h VAL 16 Cb 0.47 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2d85 h VAL 16 CO -0.42 0.07 -0.21 0.78 0.02 0.00 0.00 177.57 177.81 2d85 h ASN 17 N 0.38 -0.64 0.65 0.57 2.35 -0.90 -2.25 115.58 115.73 2d85 h ASN 17 Ca 0.11 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2d85 h ASN 17 Cb -0.04 0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2d85 h ASN 17 CO -0.03 -0.27 -0.47 -0.33 -1.65 0.00 0.00 177.43 174.69 2d85 h GLU 18 N -0.30 -1.04 -1.29 0.81 5.08 -1.11 -0.03 114.58 116.71 2d85 h GLU 18 Ca 0.08 0.07 0.44 0.00 -1.00 0.00 0.00 59.36 58.96 2d85 h GLU 18 Cb 0.42 0.24 -0.14 0.00 0.50 0.00 0.00 28.75 29.76 2d85 h GLU 18 CO -0.25 -0.69 0.82 1.15 -1.00 0.00 0.00 179.01 179.03 2d85 h THR 19 N -1.08 0.08 0.07 1.13 2.02 -1.09 0.62 112.91 114.66 2d85 h THR 19 Ca -0.08 -0.02 -0.15 0.00 0.77 0.00 0.00 66.41 66.92 2d85 h THR 19 Cb 0.89 0.01 0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2d85 h THR 19 CO 0.04 0.01 -0.65 -0.07 0.37 0.00 0.00 175.52 175.22 2d85 h LEU 20 N 0.06 0.45 -0.08 2.58 3.38 -0.79 -3.06 115.31 117.86 2d85 h LEU 20 Ca 0.84 -0.87 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2d85 h LEU 20 Cb 2.58 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 43.16 2d85 h LEU 20 CO -0.48 1.27 -0.07 -0.09 0.09 0.00 0.00 178.44 179.16 2d85 h ARG 21 N -0.31 -0.08 0.00 1.13 2.43 0.20 0.51 114.38 118.27 2d85 h ARG 21 Ca -0.10 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2d85 h ARG 21 Cb 1.43 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2d85 h ARG 21 CO 0.12 -0.05 -0.03 1.05 -1.51 0.00 0.00 179.97 179.55 2d85 h GLU 22 N -0.08 0.00 0.00 0.20 4.11 -0.93 -0.15 114.58 117.72 2d85 h GLU 22 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2d85 h GLU 22 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2d85 h GLU 22 CO -0.13 0.03 -0.79 0.00 0.07 0.00 0.00 179.01 178.19 2d85 n ALA 23 N -2.30 3.79 -2.72 1.06 0.00 -0.43 -4.98 120.51 114.93 2d85 n ALA 23 Ca -0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 2d85 n ALA 23 Cb 0.12 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.66 -2.85 -3.61 0.00 1.02 0.16 -5.04 120.64 108.65 2d85 n GLU 24 Ca 0.04 0.33 -0.31 0.00 -0.02 0.00 0.00 57.16 57.21 2d85 n GLU 24 Cb 0.37 -3.83 -0.04 0.00 -0.02 0.00 0.00 31.44 27.91 2d85 n GLU 24 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2d85 s LYS 25 N -4.96 3.62 -0.10 3.49 3.01 0.08 -4.99 119.74 119.88 2d85 s LYS 25 Ca 0.10 -0.08 0.13 0.00 -1.01 0.00 0.00 55.97 55.11 2d85 s LYS 25 Cb -0.04 -2.80 0.57 0.00 -1.01 0.00 0.00 37.83 34.54 2d85 s LYS 25 CO 0.29 0.41 1.43 0.45 0.51 0.00 0.00 175.35 178.44 2d85 n SER 26 N -0.17 3.91 -5.00 2.83 2.88 -1.26 -4.71 113.62 112.10 2d85 n SER 26 Ca -0.02 -2.41 -0.18 0.00 -1.33 0.00 0.00 58.87 54.92 2d85 n SER 26 Cb 0.52 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2d85 n SER 26 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d85 s SER 27 N -0.75 5.85 -0.20 -3.46 0.15 -1.26 -5.10 113.70 108.92 2d85 s SER 27 Ca 0.39 -0.26 -0.36 0.00 0.70 0.00 0.00 55.95 56.43 2d85 s SER 27 Cb 0.26 -1.03 0.14 0.00 -1.71 0.00 0.00 66.02 63.69 2d85 s SER 27 CO 0.17 -0.57 1.24 -0.94 1.20 0.00 0.00 173.24 174.35 2d85 s SER 28 N -4.24 -0.11 -0.04 5.45 1.04 -1.26 -4.92 113.70 109.61 2d85 s SER 28 Ca 0.49 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.90 2d85 s SER 28 Cb -0.10 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.17 2d85 s SER 28 CO 0.32 -0.20 0.04 0.27 0.98 0.00 0.00 173.24 174.66 2d85 s ILE 29 N -2.35 -0.01 0.10 -1.02 -4.36 -1.26 -4.73 121.20 107.57 2d85 s ILE 29 Ca 0.10 0.34 -0.17 0.00 -0.26 0.00 0.00 60.65 60.66 2d85 s ILE 29 Cb -0.01 -0.22 -0.06 0.00 1.25 0.00 0.00 42.46 43.43 2d85 s ILE 29 CO -0.04 0.18 1.54 0.28 0.24 0.00 0.00 174.94 177.14 2d85 h SER 30 N 8.26 0.52 -5.43 4.36 0.02 -1.95 -3.48 113.55 115.85 2d85 h SER 30 Ca -0.18 -0.31 0.21 0.00 -0.84 0.00 0.00 61.79 60.68 2d85 h SER 30 Cb 1.12 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.43 2d85 h SER 30 CO 0.21 0.70 0.57 -0.44 -1.14 0.00 0.00 176.83 176.73 2d85 s SER 31 N -6.03 -0.15 0.58 3.07 0.01 -1.26 -4.99 113.70 104.93 2d85 s SER 31 Ca -0.13 -0.35 0.36 0.00 1.31 0.00 0.00 55.95 57.14 2d85 s SER 31 Cb 0.08 0.41 1.33 0.00 0.21 0.00 0.00 66.02 68.06 2d85 s SER 31 CO 0.76 -0.77 1.52 -0.26 0.41 0.00 0.00 173.24 174.91 2d85 h PHE 32 N 2.00 0.00 -1.27 2.43 0.04 -1.99 0.93 116.94 119.08 2d85 h PHE 32 Ca -0.26 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.83 2d85 h PHE 32 Cb 1.22 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 39.07 2d85 h PHE 32 CO 0.38 0.00 0.65 1.63 -0.60 0.00 0.00 178.31 180.37 2d85 n LYS 33 N -3.64 2.85 -2.95 1.51 5.02 -1.26 -4.70 118.16 115.00 2d85 n LYS 33 Ca 0.29 -3.52 -0.40 0.00 -2.02 0.00 0.00 58.31 52.66 2d85 n LYS 33 Cb 1.55 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 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 -1.92 7.41 0.05 4.39 -1.08 0.32 -4.99 116.67 120.85 2d85 s ASP 34 Ca 0.59 1.67 -0.19 0.00 -0.52 0.00 0.00 52.55 54.10 2d85 s ASP 34 Cb 0.47 -2.51 -0.13 0.00 -1.46 0.00 0.00 42.92 39.29 2d85 s ASP 34 CO -0.13 0.18 1.36 1.55 0.52 0.00 0.00 175.17 178.65 2d85 h PRO 35 N 4.44 0.42 -1.00 4.34 0.13 -1.94 -3.10 132.00 135.30 2d85 h PRO 35 Ca -0.46 -0.22 0.28 0.00 -0.87 0.00 0.00 66.00 64.72 2d85 h PRO 35 Cb 1.21 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2d85 h PRO 35 CO 0.67 0.79 0.70 0.87 -0.23 0.00 0.00 178.00 180.79 2d85 h LYS 36 N 0.07 0.11 -0.66 0.86 6.56 -1.94 0.30 116.57 121.86 2d85 h LYS 36 Ca 0.03 -0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.80 2d85 h LYS 36 Cb 0.71 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.32 2d85 h LYS 36 CO 0.04 0.07 0.48 0.82 -2.06 0.00 0.00 179.45 178.80 2d85 h ILE 37 N 0.11 0.67 -0.89 1.86 2.04 -1.86 -0.95 117.51 118.50 2d85 h ILE 37 Ca 0.49 -0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.54 2d85 h ILE 37 Cb 1.76 0.66 -0.11 0.00 -0.74 0.00 0.00 36.82 38.39 2d85 h ILE 37 CO -0.07 0.00 0.44 0.77 0.00 0.00 0.00 178.15 179.29 2d85 h SER 38 N 0.01 0.46 0.86 1.72 4.64 -0.58 0.76 113.55 121.42 2d85 h SER 38 Ca 0.32 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2d85 h SER 38 Cb 1.26 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2d85 h SER 38 CO -0.01 0.11 -0.05 0.35 -0.87 0.00 0.00 176.83 176.37 2d85 n THR 39 N -4.94 0.00 -2.11 2.95 -2.24 -0.37 -4.72 114.28 102.85 2d85 n THR 39 Ca 0.20 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.83 2d85 n THR 39 Cb 0.56 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.44 -4.66 0.07 3.42 7.64 0.26 -4.90 113.62 114.01 2d85 n SER 40 Ca 0.08 0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.90 2d85 n SER 40 Cb 0.32 -3.73 -0.09 0.00 -1.01 0.00 0.00 64.21 59.70 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 -0.15 -1.24 -3.43 3.38 -1.78 -0.09 115.31 111.99 2d85 h LEU 41 Ca -0.35 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 2d85 h LEU 41 Cb 1.21 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2d85 h LEU 41 CO 0.44 0.23 -0.27 1.55 0.09 0.00 0.00 178.44 180.47 2d85 h PRO 42 N -0.57 0.00 0.12 1.13 0.13 -1.85 0.11 132.00 131.07 2d85 h PRO 42 Ca -0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.83 2d85 h PRO 42 Cb 0.44 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 2d85 h PRO 42 CO 0.03 0.27 -1.32 0.28 -0.23 0.00 0.00 178.00 177.03 2d85 h VAL 43 N 0.00 1.40 0.11 1.56 2.07 -1.91 -2.56 116.25 116.93 2d85 h VAL 43 Ca -0.00 -3.00 -0.20 0.00 0.82 0.00 0.00 66.70 64.32 2d85 h VAL 43 Cb 0.70 2.89 0.01 0.00 -1.52 0.00 0.00 31.29 33.37 2d85 h VAL 43 CO 0.04 0.87 -0.93 -0.07 0.02 0.00 0.00 177.57 177.49 2d85 h LEU 44 N 0.07 0.36 -0.82 2.57 3.38 -0.89 -3.28 115.31 116.70 2d85 h LEU 44 Ca -0.16 -0.90 -0.07 0.00 0.09 0.00 0.00 57.88 56.83 2d85 h LEU 44 Cb 1.98 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 2d85 h LEU 44 CO 0.19 1.42 0.09 0.44 0.09 0.00 0.00 178.44 180.67 2d85 h ASP 45 N -0.46 0.92 -0.91 -0.43 5.19 -0.94 -2.69 116.42 117.10 2d85 h ASP 45 Ca -0.19 -0.21 0.08 0.00 -0.62 0.00 0.00 57.03 56.09 2d85 h ASP 45 Cb 1.59 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 40.79 2d85 h ASP 45 CO 0.08 0.93 0.59 0.25 -3.12 0.00 0.00 179.24 177.98 2d85 h LEU 46 N 0.91 0.89 0.33 1.55 5.85 -1.59 -0.22 115.31 123.04 2d85 h LEU 46 Ca 0.18 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2d85 h LEU 46 Cb 0.41 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2d85 h LEU 46 CO 0.01 0.55 -0.16 0.40 -0.34 0.00 0.00 178.44 178.91 2d85 h ILE 47 N 1.00 0.67 -0.71 4.05 2.04 -1.54 -3.19 117.51 119.83 2d85 h ILE 47 Ca 0.40 -0.53 0.09 0.00 1.00 0.00 0.00 64.86 65.82 2d85 h ILE 47 Cb 0.27 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 2d85 h ILE 47 CO -0.16 0.10 0.36 -0.78 0.00 0.00 0.00 178.15 177.67 2d85 h ASP 48 N -0.75 0.49 -0.90 1.72 1.82 -1.28 -2.06 116.42 115.46 2d85 h ASP 48 Ca -0.05 0.05 0.16 0.00 -0.39 0.00 0.00 57.03 56.81 2d85 h ASP 48 Cb 0.50 -0.03 -0.16 0.00 0.68 0.00 0.00 39.33 40.33 2d85 h ASP 48 CO 0.07 0.29 -0.29 0.00 -1.61 0.00 0.00 179.24 177.70 2d85 n ALA 49 N -2.40 0.04 -0.03 -0.78 0.00 -0.12 -1.07 120.51 116.15 2d85 n ALA 49 Ca 0.11 0.94 -0.13 0.00 0.00 0.00 0.00 53.44 54.35 2d85 n ALA 49 Cb 0.25 -0.49 -0.11 0.00 0.00 0.00 0.00 19.45 19.11 2d85 n ALA 49 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d85 h ILE 50 N 0.00 1.48 -3.52 0.00 2.04 -1.52 -3.42 117.51 112.57 2d85 h ILE 50 Ca 0.37 -1.74 -0.69 0.00 1.00 0.00 0.00 64.86 63.80 2d85 h ILE 50 Cb 0.59 2.61 -0.36 0.00 -0.74 0.00 0.00 36.82 38.92 2d85 h ILE 50 CO -0.90 0.43 -0.53 -1.58 0.00 0.00 0.00 178.15 175.57 2d85 s GLN 51 N -3.04 2.07 0.08 2.37 2.00 -0.23 -5.08 119.66 117.83 2d85 s GLN 51 Ca -0.16 -2.07 -0.31 0.00 -2.00 0.00 0.00 55.36 50.82 2d85 s GLN 51 Cb -0.01 -3.55 -0.07 0.00 0.80 0.00 0.00 33.01 30.18 2d85 s GLN 51 CO 0.63 -1.08 1.39 -1.25 -0.50 0.00 0.00 175.29 174.48 2d85 s PRO 52 N 0.69 4.31 0.00 1.67 0.04 -0.73 -3.54 135.00 137.45 2d85 s PRO 52 Ca 0.11 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2d85 s PRO 52 Cb -0.22 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2d85 s PRO 52 CO -0.04 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2d85 n GLY 53 N 3.53 3.38 0.33 0.56 0.00 -1.26 -4.93 105.19 106.80 2d85 n GLY 53 Ca 0.12 -1.04 0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 0.95 0.54 -3.00 1.61 4.64 -1.93 -3.38 113.55 112.98 2d85 h SER 54 Ca 0.00 0.15 -0.62 0.00 -0.47 0.00 0.00 61.79 60.85 2d85 h SER 54 Cb 0.00 0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 2d85 h SER 54 CO 0.00 0.05 -0.31 -0.63 -0.87 0.00 0.00 176.83 175.06 2d85 s ILE 55 N -5.80 5.25 -0.47 0.95 -1.09 -1.26 -5.03 121.20 113.75 2d85 s ILE 55 Ca -0.11 0.58 0.03 0.00 -2.23 0.00 0.00 60.65 58.92 2d85 s ILE 55 Cb 0.27 -3.60 0.14 0.00 -1.58 0.00 0.00 42.46 37.69 2d85 s ILE 55 CO 0.79 0.53 0.29 0.21 -1.23 0.00 0.00 174.94 175.52 2d85 s ASN 56 N -0.58 3.45 0.34 3.58 2.47 -1.26 -4.98 114.94 117.96 2d85 s ASN 56 Ca 0.19 -2.83 0.12 0.00 0.42 0.00 0.00 52.86 50.77 2d85 s ASN 56 Cb -0.14 -0.99 1.06 0.00 -1.45 0.00 0.00 41.25 39.73 2d85 s ASN 56 CO 0.08 -0.23 1.60 1.88 -3.72 0.00 0.00 177.10 176.71 2d85 h TYR 57 N 6.41 0.55 -0.91 0.43 0.05 -1.97 0.57 116.97 122.10 2d85 h TYR 57 Ca 0.05 0.05 0.26 0.00 0.05 0.00 0.00 58.73 59.14 2d85 h TYR 57 Cb 0.90 -0.08 -0.15 0.00 1.01 0.00 0.00 36.73 38.42 2d85 h TYR 57 CO 0.47 -0.38 0.29 0.22 -1.05 0.00 0.00 178.16 177.71 2d85 h ASP 58 N 0.09 0.07 0.60 3.88 1.82 -1.98 0.19 116.42 121.08 2d85 h ASP 58 Ca 0.72 0.21 -0.28 0.00 -0.39 0.00 0.00 57.03 57.29 2d85 h ASP 58 Cb 1.73 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 41.99 2d85 h ASP 58 CO -0.77 -0.18 -1.38 -0.07 -1.61 0.00 0.00 179.24 175.23 2d85 h LEU 59 N 0.21 0.29-10.13 2.28 3.38 -0.33 -3.46 115.31 107.55 2d85 h LEU 59 Ca 0.60 -0.37 -0.54 0.00 0.09 0.00 0.00 57.88 57.66 2d85 h LEU 59 Cb 1.26 -0.10 0.14 0.00 0.09 0.00 0.00 40.66 42.06 2d85 h LEU 59 CO -0.67 1.31 0.45 -0.76 0.09 0.00 0.00 178.44 178.86 2d85 s LEU 60 N -6.89 3.51 0.00 1.67 1.43 0.68 -5.00 118.68 114.07 2d85 s LEU 60 Ca -0.06 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 2d85 s LEU 60 Cb 0.08 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.70 2d85 s LEU 60 CO 0.85 -1.93 0.08 0.29 0.23 0.00 0.00 176.35 175.87 2d85 n LYS 61 N -2.08 0.00 -3.55 1.70 4.76 -1.26 -4.90 118.16 112.82 2d85 n LYS 61 Ca 0.14 0.22 -0.26 0.00 -2.87 0.00 0.00 58.31 55.55 2d85 n LYS 61 Cb 0.49 -0.78 0.04 0.00 -1.84 0.00 0.00 35.03 32.94 2d85 n LYS 61 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2d85 n THR 62 N -1.17 -2.18 -3.30 -0.18 -2.24 -1.26 -4.96 114.28 98.99 2d85 n THR 62 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2d85 n THR 62 Cb 0.00 -3.21 -0.04 0.00 -2.10 0.00 0.00 70.33 64.98 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 -6.25 0.48 -1.45 -0.78 -1.05 -1.26 -4.95 118.70 103.44 2d85 s GLU 63 Ca 0.53 0.90 -0.01 0.00 -0.15 0.00 0.00 54.97 56.24 2d85 s GLU 63 Cb -0.25 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.68 2d85 s GLU 63 CO 0.66 -0.56 0.36 0.27 0.95 0.00 0.00 175.26 176.93 2d85 n ASN 64 N 5.41 -0.23 -4.74 0.83 0.23 -1.26 -4.88 115.26 110.62 2d85 n ASN 64 Ca -0.03 -1.06 -0.36 0.00 -0.53 0.00 0.00 54.58 52.60 2d85 n ASN 64 Cb 0.50 -2.75 0.06 0.00 -2.08 0.00 0.00 39.78 35.51 2d85 n ASN 64 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2d85 s LEU 65 N -7.06 3.56 0.27 -4.53 1.43 -1.26 -4.98 118.68 106.10 2d85 s LEU 65 Ca 0.05 2.43 -0.07 0.00 -1.03 0.00 0.00 54.13 55.51 2d85 s LEU 65 Cb -0.02 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.59 2d85 s LEU 65 CO 0.91 -1.84 0.41 0.54 0.23 0.00 0.00 176.35 176.60 2d85 s ASN 66 N -1.67 0.31 0.41 2.29 2.20 -1.26 -4.82 114.94 112.40 2d85 s ASN 66 Ca 0.78 -1.22 0.36 0.00 -0.94 0.00 0.00 52.86 51.84 2d85 s ASN 66 Cb -0.32 0.57 1.30 0.00 -2.00 0.00 0.00 41.25 40.81 2d85 s ASN 66 CO 0.38 -1.14 1.21 -0.67 -2.94 0.00 0.00 177.10 173.94 2d85 n ASP 67 N -0.72 0.03 -0.01 3.54 2.03 -1.26 0.48 116.55 120.64 2d85 n ASP 67 Ca 0.00 0.83 -0.00 0.00 0.52 0.00 0.00 54.79 56.14 2d85 n ASP 67 Cb 0.63 -0.41 -0.00 0.00 -0.72 0.00 0.00 41.12 40.61 2d85 n ASP 67 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2d85 h ASP 68 N 0.00 -0.01 0.65 1.67 3.58 -1.99 -3.25 116.42 117.06 2d85 h ASP 68 Ca 0.72 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 58.14 2d85 h ASP 68 Cb 2.78 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.83 2d85 h ASP 68 CO -0.08 0.13 -0.40 -0.33 -2.88 0.00 0.00 179.24 175.68 2d85 h GLU 69 N -0.30 -0.95 -0.91 0.28 5.08 -1.19 -2.82 114.58 113.77 2d85 h GLU 69 Ca -0.00 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.61 2d85 h GLU 69 Cb 0.01 0.22 -0.17 0.00 0.50 0.00 0.00 28.75 29.31 2d85 h GLU 69 CO 0.00 -0.63 -0.21 1.63 -1.00 0.00 0.00 179.01 178.80 2d85 n LYS 70 N -5.54 -0.08 0.12 2.33 5.02 0.18 0.03 118.16 120.23 2d85 n LYS 70 Ca -0.13 1.42 -0.13 0.00 -2.02 0.00 0.00 58.31 57.44 2d85 n LYS 70 Cb 0.42 -2.12 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 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 -0.98 -0.93 -0.35 5.85 -1.54 0.11 115.31 117.47 2d85 h LEU 71 Ca 0.44 0.11 0.20 0.00 0.84 0.00 0.00 57.88 59.47 2d85 h LEU 71 Cb 0.70 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 41.98 2d85 h LEU 71 CO -0.93 -0.43 0.50 0.78 -0.34 0.00 0.00 178.44 178.02 2d85 h ASN 72 N -0.58 0.57 0.44 1.25 2.35 -0.22 0.39 115.58 119.79 2d85 h ASN 72 Ca 0.03 0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 2d85 h ASN 72 Cb 0.60 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2d85 h ASN 72 CO -0.19 0.16 -0.51 0.78 -1.65 0.00 0.00 177.43 176.01 2d85 h ASN 73 N 0.60 0.10 -0.09 5.81 4.21 -0.42 -2.16 115.58 123.63 2d85 h ASN 73 Ca 0.55 -0.05 -0.13 0.00 1.21 0.00 0.00 56.30 57.89 2d85 h ASN 73 Cb 0.93 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 38.11 2d85 h ASN 73 CO -0.43 0.59 -0.45 0.00 -1.29 0.00 0.00 177.43 175.85 2d85 h ALA 74 N 1.41 0.17 -0.30 -0.83 0.00 0.22 -2.37 119.26 117.57 2d85 h ALA 74 Ca -0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2d85 h ALA 74 Cb 0.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2d85 h ALA 74 CO 0.07 0.32 -0.12 0.87 0.00 0.00 0.00 179.25 180.40 2d85 h LYS 75 N 0.02 0.51 -0.15 0.00 1.57 -0.65 -2.91 116.57 114.95 2d85 h LYS 75 Ca -0.03 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2d85 h LYS 75 Cb 1.10 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2d85 h LYS 75 CO 0.09 0.62 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.55 2d85 h TYR 76 N 0.47 0.42 0.14 -1.35 3.20 -1.41 -3.06 116.97 115.38 2d85 h TYR 76 Ca 0.09 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2d85 h TYR 76 Cb 0.48 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 2d85 h TYR 76 CO 0.02 0.73 -0.49 0.00 -1.64 0.00 0.00 178.16 176.77 2d85 h ALA 77 N 0.63 -0.98 -1.01 1.82 0.00 -1.29 -1.04 119.26 117.38 2d85 h ALA 77 Ca 0.03 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.10 2d85 h ALA 77 Cb 0.64 0.86 -0.13 0.00 0.00 0.00 0.00 17.79 19.16 2d85 h ALA 77 CO 0.03 -1.10 0.60 0.82 0.00 0.00 0.00 179.25 179.60 2d85 h ILE 78 N -0.72 0.45 0.82 0.00 2.04 -1.60 -1.57 117.51 116.93 2d85 h ILE 78 Ca -0.01 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2d85 h ILE 78 Cb 0.71 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2d85 h ILE 78 CO -0.25 0.09 -0.39 -1.28 0.00 0.00 0.00 178.15 176.31 2d85 h SER 79 N 0.48 -0.93 -0.77 1.72 0.87 -1.15 -0.93 113.55 112.84 2d85 h SER 79 Ca 0.67 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 61.43 2d85 h SER 79 Cb 1.41 0.24 -0.14 0.00 -0.44 0.00 0.00 62.40 63.47 2d85 h SER 79 CO -0.50 -0.62 -0.11 0.24 -0.53 0.00 0.00 176.83 175.30 2d85 h MET 80 N -1.20 0.03 0.27 2.24 2.86 -0.31 0.97 114.93 119.79 2d85 h MET 80 Ca -0.11 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2d85 h MET 80 Cb 0.84 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2d85 h MET 80 CO 0.18 0.02 -0.14 0.00 1.06 0.00 0.00 176.91 178.04 2d85 h ALA 81 N 1.75 -1.08 0.00 6.32 0.00 -1.28 0.13 119.26 125.09 2d85 h ALA 81 Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2d85 h ALA 81 Cb 0.64 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2d85 h ALA 81 CO -0.75 -1.06 0.04 2.89 0.00 0.00 0.00 179.25 180.37 2d85 n ARG 82 N -3.03 0.04 0.02 0.00 -4.01 -0.36 -1.08 116.66 108.24 2d85 n ARG 82 Ca -0.05 0.51 -0.22 0.00 -1.04 0.00 0.00 57.85 57.06 2d85 n ARG 82 Cb 0.15 -1.66 -0.14 0.00 -3.04 0.00 0.00 32.46 27.76 2d85 n ARG 82 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 2d85 h LYS 83 N 0.00 0.29 0.00 2.89 3.11 0.15 -3.36 116.57 119.66 2d85 h LYS 83 Ca 0.00 -0.50 -0.01 0.00 -2.81 0.00 0.00 60.65 57.34 2d85 h LYS 83 Cb 0.08 0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2d85 h LYS 83 CO 0.00 1.24 -0.05 -0.84 -2.81 0.00 0.00 179.45 176.98 2d85 h ILE 84 N -0.11 0.05 0.00 2.00 3.07 0.65 -3.47 117.51 119.69 2d85 h ILE 84 Ca -0.35 -1.07 0.00 0.00 1.55 0.00 0.00 64.86 64.99 2d85 h ILE 84 Cb 1.92 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 40.48 2d85 h ILE 84 CO 0.09 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 177.83 2d85 n GLY 85 N 1.11 0.88 3.27 0.16 0.00 -0.24 -5.10 105.19 105.27 2d85 n GLY 85 Ca 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.70 2d85 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d85 s ALA 86 N 0.00 -2.94 -0.72 4.61 0.00 -1.15 -4.90 121.76 116.67 2d85 s ALA 86 Ca 0.00 1.78 -0.26 0.00 0.00 0.00 0.00 51.96 53.48 2d85 s ALA 86 Cb 0.00 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.79 2d85 s ALA 86 CO 0.00 -1.21 2.22 0.50 0.00 0.00 0.00 175.76 177.27 2d85 s ARG 87 N 2.71 2.09 -0.80 0.00 6.06 -1.26 -3.39 118.95 124.36 2d85 s ARG 87 Ca 0.01 0.55 -0.11 0.00 -2.50 0.00 0.00 55.73 53.68 2d85 s ARG 87 Cb -0.09 -4.74 0.21 0.00 0.06 0.00 0.00 34.95 30.39 2d85 s ARG 87 CO -0.15 -3.67 0.70 0.08 -2.50 0.00 0.00 175.30 169.76 2d85 s VAL 88 N 12.24 5.12 -0.64 7.11 1.01 -1.26 -4.61 120.40 139.37 2d85 s VAL 88 Ca 0.85 -2.70 -0.04 0.00 0.00 0.00 0.00 61.98 60.09 2d85 s VAL 88 Cb -0.12 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.20 2d85 s VAL 88 CO 0.12 -1.00 2.56 0.00 0.00 0.00 0.00 175.10 176.78 2d85 n TYR 89 N 3.72 1.99 -4.44 5.22 9.36 -1.26 -4.92 117.16 126.83 2d85 n TYR 89 Ca 0.13 -2.12 -0.21 0.00 3.32 0.00 0.00 57.90 59.02 2d85 n TYR 89 Cb 0.44 -1.39 -0.10 0.00 -0.63 0.00 0.00 39.34 37.66 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2d85 s ALA 90 N -2.18 2.34 -0.11 2.98 0.00 -1.26 -4.98 121.76 118.54 2d85 s ALA 90 Ca 0.56 -1.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 2d85 s ALA 90 Cb 0.37 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 2d85 s ALA 90 CO -0.24 -0.19 -0.05 -1.17 0.00 0.00 0.00 175.76 174.11 2d85 s LEU 91 N -3.46 3.24 0.53 0.00 2.96 -1.26 -5.00 118.68 115.69 2d85 s LEU 91 Ca 0.32 -0.06 0.33 0.00 -0.22 0.00 0.00 54.13 54.50 2d85 s LEU 91 Cb 0.06 -1.75 1.38 0.00 0.50 0.00 0.00 46.19 46.39 2d85 s LEU 91 CO 0.13 0.27 1.98 1.55 -1.32 0.00 0.00 176.35 178.96 2d85 h PRO 92 N 5.98 0.00 -0.12 0.98 0.13 -1.95 -2.85 132.00 134.17 2d85 h PRO 92 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 2d85 h PRO 92 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2d85 h PRO 92 CO 0.58 0.00 -0.32 0.93 -0.23 0.00 0.00 178.00 178.96 2d85 h GLU 93 N 0.00 0.24 0.02 0.86 4.39 -1.94 -2.93 114.58 115.22 2d85 h GLU 93 Ca 0.00 -0.09 -0.28 0.00 0.34 0.00 0.00 59.36 59.33 2d85 h GLU 93 Cb 0.48 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2d85 h GLU 93 CO 0.00 0.54 -1.53 -0.44 -1.16 0.00 0.00 179.01 176.42 2d85 h ASP 94 N 0.21 0.08 -0.63 1.42 3.32 -1.90 -3.34 116.42 115.58 2d85 h ASP 94 Ca 0.03 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.98 2d85 h ASP 94 Cb 0.67 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2d85 h ASP 94 CO 0.05 1.11 0.41 0.25 -1.72 0.00 0.00 179.24 179.35 2d85 h LEU 95 N 0.01 0.63 -0.72 1.55 5.85 -1.38 -1.96 115.31 119.30 2d85 h LEU 95 Ca -0.22 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.57 2d85 h LEU 95 Cb 1.96 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.78 2d85 h LEU 95 CO 0.10 0.44 0.39 0.58 -0.34 0.00 0.00 178.44 179.62 2d85 h VAL 96 N 0.74 0.92 -0.54 1.05 2.07 -1.64 -1.22 116.25 117.64 2d85 h VAL 96 Ca 0.25 -0.24 -0.34 0.00 0.82 0.00 0.00 66.70 67.19 2d85 h VAL 96 Cb 0.08 0.17 -0.16 0.00 -1.52 0.00 0.00 31.29 29.86 2d85 h VAL 96 CO -0.07 0.13 0.44 -0.62 0.02 0.00 0.00 177.57 177.47 2d85 n GLU 97 N -4.79 1.84 -3.83 1.57 1.02 -0.79 -4.60 120.64 111.07 2d85 n GLU 97 Ca 0.10 -1.72 -0.25 0.00 -0.02 0.00 0.00 57.16 55.27 2d85 n GLU 97 Cb 0.22 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 29.93 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 0.05 -1.03 -3.03 2.62 0.31 -0.46 -4.83 118.33 111.96 2d85 n VAL 98 Ca 0.33 -0.36 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 2d85 n VAL 98 Cb 0.73 -0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 2d85 n VAL 98 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2d85 s ASN 99 N -3.97 6.41 0.00 4.52 -0.87 -0.88 -4.91 114.94 115.24 2d85 s ASN 99 Ca 0.11 -0.06 0.15 0.00 -1.57 0.00 0.00 52.86 51.49 2d85 s ASN 99 Cb -0.06 -2.36 0.83 0.00 -0.02 0.00 0.00 41.25 39.64 2d85 s ASN 99 CO 0.69 -0.80 1.38 -0.81 -2.57 0.00 0.00 177.10 174.98 2d85 n PRO 100 N 6.44 0.34 0.04 -0.60 -0.04 -1.26 -2.28 135.00 137.64 2d85 n PRO 100 Ca 0.01 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2d85 n PRO 100 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.48 0.00 0.54 1.57 -1.96 -3.00 116.57 114.21 2d85 h LYS 101 Ca 0.00 -0.40 -0.33 0.00 -1.87 0.00 0.00 60.65 58.05 2d85 h LYS 101 Cb 0.08 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2d85 h LYS 101 CO 0.00 1.04 -2.25 -1.33 -0.57 0.00 0.00 179.45 176.34 2d85 n MET 102 N -3.85 0.85 0.21 3.15 2.81 -1.11 -4.40 117.12 114.77 2d85 n MET 102 Ca -0.05 0.06 0.08 0.00 -1.81 0.00 0.00 57.70 55.98 2d85 n MET 102 Cb 0.73 -1.45 0.60 0.00 -0.71 0.00 0.00 33.22 32.39 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 0.00 1.01 -1.26 2.03 2.07 -1.59 -2.76 116.25 115.76 2d85 h VAL 103 Ca -0.49 -0.03 0.40 0.00 0.82 0.00 0.00 66.70 67.40 2d85 h VAL 103 Cb 1.94 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 32.52 2d85 h VAL 103 CO -0.03 0.02 0.85 1.15 0.02 0.00 0.00 177.57 179.58 2d85 n MET 104 N -4.53 -0.02 -0.07 1.57 0.00 -1.13 0.12 117.12 113.06 2d85 n MET 104 Ca -0.02 0.94 -0.19 0.00 0.00 0.00 0.00 57.70 58.43 2d85 n MET 104 Cb 0.10 -1.95 -0.13 0.00 0.00 0.00 0.00 33.22 31.24 2d85 n MET 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2d85 n THR 105 N -4.00 1.61 -0.31 3.17 -2.24 -1.04 -3.47 114.28 108.00 2d85 n THR 105 Ca 0.33 -0.61 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2d85 n THR 105 Cb 1.36 -1.52 0.23 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.34 -0.38 -0.08 2.28 0.31 0.32 -0.71 118.33 116.74 2d85 n VAL 106 Ca -0.40 1.99 -0.19 0.00 -0.01 0.00 0.00 64.34 65.74 2d85 n VAL 106 Cb 1.02 -2.87 -0.12 0.00 -0.91 0.00 0.00 33.84 30.95 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 0.05 -0.99 3.52 0.04 -1.68 -3.34 116.94 114.54 2d85 h PHE 107 Ca 0.52 -0.04 0.13 0.00 2.80 0.00 0.00 57.97 61.38 2d85 h PHE 107 Cb 1.01 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.01 2d85 h PHE 107 CO -0.51 1.29 -0.46 0.00 -0.60 0.00 0.00 178.31 178.03 2d85 h ALA 108 N -0.23 -0.09 -0.62 2.45 0.00 -1.18 1.55 119.26 121.14 2d85 h ALA 108 Ca -0.20 0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.08 2d85 h ALA 108 Cb 1.23 1.13 -0.03 0.00 0.00 0.00 0.00 17.79 20.12 2d85 h ALA 108 CO -0.09 -0.74 0.43 0.00 0.00 0.00 0.00 179.25 178.84 2d85 h LEU 110 N 0.18 0.00 -1.76 0.00 3.38 0.17 -3.35 115.31 113.94 2d85 h LEU 110 Ca 0.30 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.43 2d85 h LEU 110 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2d85 h LEU 110 CO -0.05 0.14 0.64 0.00 0.09 0.00 0.00 178.44 179.26 2d85 h MET 111 N -0.25 0.00 -1.66 1.13 -0.00 0.31 -2.03 114.93 112.43 2d85 h MET 111 Ca 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 59.70 60.20 2d85 h MET 111 Cb 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 31.55 2d85 h MET 111 CO 0.00 0.00 1.17 0.41 -0.00 0.00 0.00 176.91 178.49 2d85 n GLY 112 N -1.54 -0.86 0.20 -3.00 0.00 0.12 0.12 105.19 100.23 2d85 n GLY 112 Ca 0.11 0.64 -0.05 0.00 0.00 0.00 0.00 46.02 46.73 2d85 n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d85 h LYS 113 N 0.00 0.49 0.00 1.61 1.79 -1.62 -3.37 116.57 115.47 2d85 h LYS 113 Ca 0.84 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.28 2d85 h LYS 113 Cb 3.21 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 33.75 2d85 h LYS 113 CO -0.11 0.32 0.00 0.41 -1.08 0.00 0.00 179.45 179.00 2d85 n GLY 114 N -1.25 -2.01 3.76 3.86 0.00 0.33 -4.48 105.19 105.41 2d85 n GLY 114 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.00 -0.20 1.61 -2.45 -1.26 -4.80 119.30 115.20 2d85 s MET 115 Ca 0.00 1.69 -0.29 0.00 -1.25 0.00 0.00 55.69 55.84 2d85 s MET 115 Cb 0.00 -1.95 0.00 0.00 1.25 0.00 0.00 34.83 34.14 2d85 s MET 115 CO 0.00 -1.15 1.07 0.15 1.05 0.00 0.00 175.02 176.13 2d85 s LYS 116 N -3.47 4.28 0.06 4.11 3.01 -1.26 -4.73 119.74 121.74 2d85 s LYS 116 Ca 0.74 1.41 -0.00 0.00 -1.01 0.00 0.00 55.97 57.11 2d85 s LYS 116 Cb -0.27 -3.64 -0.04 0.00 -1.01 0.00 0.00 37.83 32.87 2d85 s LYS 116 CO 0.33 -0.60 -0.04 1.03 0.51 0.00 0.00 175.35 176.59 2d85 s ARG 117 N 3.07 0.65 0.30 1.68 1.81 -1.26 -5.04 118.95 120.16 2d85 s ARG 117 Ca 0.46 -1.24 0.06 0.00 -1.72 0.00 0.00 55.73 53.29 2d85 s ARG 117 Cb -0.16 0.13 0.75 0.00 -0.45 0.00 0.00 34.95 35.22 2d85 s ARG 117 CO 0.09 -0.09 1.77 -0.24 -0.68 0.00 0.00 175.30 176.15 2d85 h VAL 118 N 3.12 0.68 -0.30 3.52 3.04 -1.97 -1.25 116.25 123.10 2d85 h VAL 118 Ca -0.34 -0.25 0.07 0.00 -1.01 0.00 0.00 66.70 65.16 2d85 h VAL 118 Cb 1.14 -0.12 -0.07 0.00 -2.01 0.00 0.00 31.29 30.24 2d85 h VAL 118 CO 0.66 0.13 -0.14 -1.28 -1.01 0.00 0.00 177.57 175.93 2d85 h SER 119 N 0.74 -0.49 -3.04 3.17 0.87 -1.97 -3.41 113.55 109.42 2d85 h SER 119 Ca 0.58 0.12 -0.60 0.00 -1.23 0.00 0.00 61.79 60.66 2d85 h SER 119 Cb 0.93 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 2d85 h SER 119 CO -0.39 -0.18 -0.29 -0.83 -0.53 0.00 0.00 176.83 174.60 2d85 s GLY 120 N -2.87 2.31 0.02 5.77 0.00 -0.47 -4.96 107.32 107.12 2d85 s GLY 120 Ca -0.14 -0.45 -0.22 0.00 0.00 0.00 0.00 44.72 43.91 2d85 s GLY 120 CO 0.69 -0.24 1.33 -0.56 0.00 0.00 0.00 173.10 174.32 2d85 h PRO 121 N 3.79 0.25 -1.85 2.90 0.13 -1.80 -3.38 132.00 132.04 2d85 h PRO 121 Ca -0.49 -0.13 0.17 0.00 -0.87 0.00 0.00 66.00 64.67 2d85 h PRO 121 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 2d85 h PRO 121 CO 0.66 0.66 0.64 0.45 -0.23 0.00 0.00 178.00 180.19 2d85 s SER 122 N -5.99 -0.27 -1.02 1.44 0.15 -1.26 -4.98 113.70 101.77 2d85 s SER 122 Ca -0.15 0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.33 2d85 s SER 122 Cb 0.04 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 2d85 s SER 122 CO 0.73 -0.42 1.43 -0.55 1.20 0.00 0.00 173.24 175.63 2d85 s SER 123 N -2.16 6.52 0.00 5.45 0.15 -1.26 -4.97 113.70 117.43 2d85 s SER 123 Ca 0.06 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.17 2d85 s SER 123 Cb -0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2d85 s SER 123 CO -0.06 -1.46 0.00 0.61 1.20 0.00 0.00 173.24 173.53