#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d85 n SER 2 N 0.00 -1.38 -3.64 1.61 7.64 -1.26 -4.95 113.62 111.64 2d85 n SER 2 Ca 0.00 -0.98 -0.10 0.00 1.01 0.00 0.00 58.87 58.79 2d85 n SER 2 Cb 0.00 -3.08 -0.07 0.00 -1.01 0.00 0.00 64.21 60.04 2d85 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d85 s SER 3 N -4.04 -0.85 0.00 6.43 0.01 -1.26 -5.18 113.70 108.82 2d85 s SER 3 Ca 0.23 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.96 2d85 s SER 3 Cb -0.12 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.52 2d85 s SER 3 CO 0.89 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.91 2d85 n GLY 4 N 3.56 1.24 3.66 3.44 0.00 -1.26 -4.98 105.19 110.85 2d85 n GLY 4 Ca -0.17 -1.76 -0.47 0.00 0.00 0.00 0.00 46.02 43.63 2d85 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d85 n SER 5 N 0.00 2.91 -4.34 1.61 7.64 -1.26 -4.92 113.62 115.26 2d85 n SER 5 Ca 0.00 1.09 -0.46 0.00 1.01 0.00 0.00 58.87 60.51 2d85 n SER 5 Cb 0.00 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 61.77 2d85 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d85 s SER 6 N 0.82 6.60 0.00 6.43 1.04 -1.26 -4.86 113.70 122.47 2d85 s SER 6 Ca 0.79 -2.36 0.00 0.00 0.48 0.00 0.00 55.95 54.86 2d85 s SER 6 Cb -0.71 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.18 2d85 s SER 6 CO 0.40 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2d85 n GLY 7 N 4.47 0.87 0.43 7.32 0.00 -1.26 -4.75 105.19 112.26 2d85 n GLY 7 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2d85 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2d85 n ASN 8 N 0.00 1.40 0.08 1.61 5.15 -1.26 -4.05 115.26 118.19 2d85 n ASN 8 Ca 0.00 0.16 -0.05 0.00 -0.60 0.00 0.00 54.58 54.09 2d85 n ASN 8 Cb 0.00 -0.45 -0.09 0.00 -0.53 0.00 0.00 39.78 38.72 2d85 n ASN 8 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2d85 h ASP 9 N -0.50 0.00 0.19 1.20 3.32 -2.00 -3.31 116.42 115.32 2d85 h ASP 9 Ca -0.41 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.34 2d85 h ASP 9 Cb 1.39 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.97 2d85 h ASP 9 CO -0.22 0.88 -1.25 -0.78 -1.72 0.00 0.00 179.24 176.14 2d85 h ASP 10 N 0.00 0.82 0.00 6.45 3.58 -1.92 -3.19 116.42 122.16 2d85 h ASP 10 Ca -0.02 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.66 2d85 h ASP 10 Cb 1.68 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2d85 h ASP 10 CO 0.11 1.58 0.01 -0.29 -2.88 0.00 0.00 179.24 177.77 2d85 h ILE 11 N 0.25 0.00 -1.03 2.25 2.10 -1.70 -2.50 117.51 116.88 2d85 h ILE 11 Ca -0.18 0.00 0.26 0.00 1.08 0.00 0.00 64.86 66.01 2d85 h ILE 11 Cb 1.93 0.82 -0.10 0.00 -1.09 0.00 0.00 36.82 38.37 2d85 h ILE 11 CO 0.24 0.00 0.65 0.40 -1.08 0.00 0.00 178.15 178.36 2d85 h ILE 12 N 0.00 0.54 0.00 2.19 2.04 -1.63 0.17 117.51 120.82 2d85 h ILE 12 Ca 0.00 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2d85 h ILE 12 Cb 0.02 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2d85 h ILE 12 CO 0.00 0.08 -0.22 0.58 0.00 0.00 0.00 178.15 178.59 2d85 h VAL 13 N 0.44 1.49 -0.17 1.67 2.07 -1.69 -3.31 116.25 116.75 2d85 h VAL 13 Ca 0.60 -2.20 0.05 0.00 0.82 0.00 0.00 66.70 65.96 2d85 h VAL 13 Cb 1.42 2.91 -0.07 0.00 -1.52 0.00 0.00 31.29 34.03 2d85 h VAL 13 CO -0.32 0.51 -0.32 -1.13 0.02 0.00 0.00 177.57 176.32 2d85 h ASN 14 N -1.00 -1.01 -0.47 0.57 -0.73 -1.47 -2.45 115.58 109.02 2d85 h ASN 14 Ca -0.06 0.15 0.05 0.00 1.87 0.00 0.00 56.30 58.31 2d85 h ASN 14 Cb 0.97 0.44 -0.07 0.00 0.27 0.00 0.00 38.32 39.93 2d85 h ASN 14 CO -0.04 -0.35 -0.39 -0.25 -0.37 0.00 0.00 177.43 176.03 2d85 h TRP 15 N -0.37 -1.23 -0.69 0.67 7.01 -0.86 -0.96 115.95 119.52 2d85 h TRP 15 Ca 0.11 0.07 0.11 0.00 2.11 0.00 0.00 58.89 61.29 2d85 h TRP 15 Cb 0.54 0.60 -0.12 0.00 -2.10 0.00 0.00 29.16 28.08 2d85 h TRP 15 CO -0.43 -0.30 -0.38 0.28 -2.79 0.00 0.00 178.44 174.83 2d85 h VAL 16 N -0.14 0.10 -0.67 2.65 2.07 -1.58 0.08 116.25 118.77 2d85 h VAL 16 Ca 0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.72 2d85 h VAL 16 Cb 0.35 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 30.10 2d85 h VAL 16 CO -0.52 0.00 -0.31 0.78 0.02 0.00 0.00 177.57 177.54 2d85 h ASN 17 N -0.14 -1.08 0.45 0.57 2.35 -0.74 -0.89 115.58 116.09 2d85 h ASN 17 Ca 0.24 0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 2d85 h ASN 17 Cb 0.56 0.57 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 2d85 h ASN 17 CO -0.76 -0.29 -0.38 -0.33 -1.65 0.00 0.00 177.43 174.02 2d85 h GLU 18 N -0.11 -0.79 -1.01 0.81 5.08 -0.28 0.21 114.58 118.49 2d85 h GLU 18 Ca 0.27 0.05 0.32 0.00 -1.00 0.00 0.00 59.36 59.01 2d85 h GLU 18 Cb 0.55 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 29.84 2d85 h GLU 18 CO -0.73 -0.53 0.58 1.15 -1.00 0.00 0.00 179.01 178.48 2d85 h THR 19 N -0.82 0.31 0.05 1.13 2.02 -0.23 0.39 112.91 115.75 2d85 h THR 19 Ca -0.04 -0.11 -0.27 0.00 0.77 0.00 0.00 66.41 66.75 2d85 h THR 19 Cb 0.71 -0.05 0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2d85 h THR 19 CO -0.02 0.06 -1.10 -0.07 0.37 0.00 0.00 175.52 174.76 2d85 h LEU 20 N 0.33 0.88 0.01 2.58 3.38 -0.60 -3.08 115.31 118.80 2d85 h LEU 20 Ca 0.73 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2d85 h LEU 20 Cb 1.68 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2d85 h LEU 20 CO -0.60 1.55 -0.02 -0.09 0.09 0.00 0.00 178.44 179.38 2d85 h ARG 21 N 0.31 -0.04 0.00 1.13 2.43 0.28 0.21 114.38 118.71 2d85 h ARG 21 Ca -0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2d85 h ARG 21 Cb 1.76 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.32 2d85 h ARG 21 CO 0.21 -0.03 -0.01 1.05 -1.51 0.00 0.00 179.97 179.69 2d85 h GLU 22 N -0.04 0.00 0.00 0.20 4.11 -0.82 0.34 114.58 118.36 2d85 h GLU 22 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2d85 h GLU 22 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2d85 h GLU 22 CO -0.02 0.01 -0.59 0.00 0.07 0.00 0.00 179.01 178.48 2d85 n ALA 23 N -2.41 3.40 -2.91 1.06 0.00 -0.72 -4.97 120.51 113.96 2d85 n ALA 23 Ca -0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 2d85 n ALA 23 Cb 0.09 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.48 2d85 n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d85 n GLU 24 N -1.69 -4.17 -3.77 0.00 1.02 0.60 -5.02 120.64 107.62 2d85 n GLU 24 Ca 0.05 0.52 -0.36 0.00 -0.02 0.00 0.00 57.16 57.35 2d85 n GLU 24 Cb 0.37 -4.57 -0.06 0.00 -0.02 0.00 0.00 31.44 27.17 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 -4.95 3.58 -0.01 3.49 3.01 -0.41 -4.98 119.74 119.46 2d85 s LYS 25 Ca 0.04 -0.04 0.04 0.00 -1.01 0.00 0.00 55.97 55.01 2d85 s LYS 25 Cb -0.02 -3.13 0.14 0.00 -1.01 0.00 0.00 37.83 33.81 2d85 s LYS 25 CO 0.45 0.69 1.01 0.43 0.51 0.00 0.00 175.35 178.44 2d85 n SER 26 N 1.44 1.14 -4.64 2.83 7.64 -1.26 -4.76 113.62 116.02 2d85 n SER 26 Ca -0.14 -2.06 -0.30 0.00 1.01 0.00 0.00 58.87 57.39 2d85 n SER 26 Cb 0.53 -0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.75 4.76 0.03 6.43 0.01 -1.26 -5.09 113.70 117.84 2d85 s SER 27 Ca 0.10 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 2d85 s SER 27 Cb 0.06 -1.04 0.09 0.00 0.21 0.00 0.00 66.02 65.34 2d85 s SER 27 CO 0.06 0.17 1.22 -0.94 0.41 0.00 0.00 173.24 174.16 2d85 s SER 28 N -2.32 -0.01 0.01 2.44 1.04 -1.26 -4.88 113.70 108.71 2d85 s SER 28 Ca 0.24 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.34 2d85 s SER 28 Cb -0.11 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 2d85 s SER 28 CO 0.17 -0.47 0.03 0.27 0.98 0.00 0.00 173.24 174.22 2d85 s ILE 29 N -2.14 0.08 -0.15 -1.02 -4.36 -1.26 -4.60 121.20 107.75 2d85 s ILE 29 Ca 0.25 -0.63 -0.03 0.00 -0.26 0.00 0.00 60.65 59.99 2d85 s ILE 29 Cb -0.00 -0.26 -0.24 0.00 1.25 0.00 0.00 42.46 43.21 2d85 s ILE 29 CO 0.00 -0.34 0.25 -1.20 0.24 0.00 0.00 174.94 173.89 2d85 n SER 30 N 1.93 1.95 -3.62 4.36 7.64 -1.26 -4.92 113.62 119.70 2d85 n SER 30 Ca -0.21 0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 2d85 n SER 30 Cb 0.56 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 2d85 n SER 30 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d85 s SER 31 N -6.82 -0.43 0.48 6.43 0.15 -1.26 -5.02 113.70 107.24 2d85 s SER 31 Ca -0.23 -0.28 0.35 0.00 0.70 0.00 0.00 55.95 56.48 2d85 s SER 31 Cb 0.07 0.66 1.48 0.00 -1.71 0.00 0.00 66.02 66.52 2d85 s SER 31 CO 0.74 -1.14 1.66 -0.26 1.20 0.00 0.00 173.24 175.43 2d85 h PHE 32 N 2.00 0.33 -0.74 3.44 0.04 -2.00 0.88 116.94 120.89 2d85 h PHE 32 Ca -0.27 0.01 -0.50 0.00 2.80 0.00 0.00 57.97 60.01 2d85 h PHE 32 Cb 1.28 -0.08 -0.21 0.00 2.20 0.00 0.00 35.95 39.14 2d85 h PHE 32 CO 0.32 -0.10 0.64 1.63 -0.60 0.00 0.00 178.31 180.21 2d85 n LYS 33 N -4.43 2.24 -2.62 1.51 4.01 -1.26 -4.81 118.16 112.80 2d85 n LYS 33 Ca 0.36 -2.41 -0.40 0.00 -0.51 0.00 0.00 58.31 55.35 2d85 n LYS 33 Cb 1.47 -1.94 -0.05 0.00 -0.51 0.00 0.00 35.03 34.00 2d85 n LYS 33 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2d85 s ASP 34 N -0.79 7.45 0.06 4.39 -1.08 0.30 -4.98 116.67 122.03 2d85 s ASP 34 Ca 0.48 2.07 -0.19 0.00 -0.52 0.00 0.00 52.55 54.39 2d85 s ASP 34 Cb 0.37 -2.61 -0.12 0.00 -1.46 0.00 0.00 42.92 39.10 2d85 s ASP 34 CO -0.01 -0.02 1.37 1.55 0.52 0.00 0.00 175.17 178.58 2d85 h PRO 35 N 4.26 0.47 -1.12 4.34 0.13 -1.93 -3.14 132.00 135.00 2d85 h PRO 35 Ca -0.45 -0.24 0.32 0.00 -0.87 0.00 0.00 66.00 64.75 2d85 h PRO 35 Cb 1.21 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2d85 h PRO 35 CO 0.68 0.81 0.73 0.87 -0.23 0.00 0.00 178.00 180.86 2d85 h LYS 36 N 0.13 0.28 -1.05 0.86 1.79 -1.93 0.41 116.57 117.06 2d85 h LYS 36 Ca 0.03 -0.02 0.28 0.00 -2.18 0.00 0.00 60.65 58.77 2d85 h LYS 36 Cb 0.72 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.24 2d85 h LYS 36 CO 0.05 0.18 0.71 0.82 -1.08 0.00 0.00 179.45 180.13 2d85 h ILE 37 N 0.29 0.50 -0.85 1.86 2.04 -1.86 0.28 117.51 119.76 2d85 h ILE 37 Ca 0.66 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 66.57 2d85 h ILE 37 Cb 1.84 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 2d85 h ILE 37 CO -0.32 0.04 0.55 -1.28 0.00 0.00 0.00 178.15 177.14 2d85 h SER 38 N 0.22 0.64 0.58 1.72 0.87 -0.36 0.28 113.55 117.50 2d85 h SER 38 Ca 0.55 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 2d85 h SER 38 Cb 1.74 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 2d85 h SER 38 CO -0.16 0.34 -0.27 0.35 -0.53 0.00 0.00 176.83 176.56 2d85 n THR 39 N -4.54 0.00 -1.93 2.23 -2.24 0.95 -4.62 114.28 104.13 2d85 n THR 39 Ca 0.16 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 2d85 n THR 39 Cb 0.43 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.32 -4.09 0.10 3.42 7.64 0.99 -4.88 113.62 115.46 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 -3.08 -0.08 0.00 -1.01 0.00 0.00 64.21 60.36 2d85 n SER 40 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2d85 h LEU 41 N 0.00 -0.23 -1.02 -3.43 3.38 -1.79 0.41 115.31 112.63 2d85 h LEU 41 Ca -0.28 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.32 2d85 h LEU 41 Cb 1.07 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2d85 h LEU 41 CO 0.35 0.19 -0.49 1.55 0.09 0.00 0.00 178.44 180.13 2d85 h PRO 42 N -0.71 0.01 0.10 1.13 0.13 -1.82 0.93 132.00 131.77 2d85 h PRO 42 Ca -0.03 -0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.81 2d85 h PRO 42 Cb 0.49 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.65 2d85 h PRO 42 CO 0.05 0.49 -1.20 0.28 -0.23 0.00 0.00 178.00 177.39 2d85 h VAL 43 N 0.00 1.29 0.02 1.56 2.07 -1.91 -1.98 116.25 117.30 2d85 h VAL 43 Ca -0.00 -2.41 -0.15 0.00 0.82 0.00 0.00 66.70 64.96 2d85 h VAL 43 Cb 0.86 2.65 0.01 0.00 -1.52 0.00 0.00 31.29 33.29 2d85 h VAL 43 CO 0.06 0.74 -0.58 -0.07 0.02 0.00 0.00 177.57 177.74 2d85 h LEU 44 N 0.28 0.48 -1.00 2.57 3.38 -0.87 -3.16 115.31 116.99 2d85 h LEU 44 Ca -0.18 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 56.92 2d85 h LEU 44 Cb 1.87 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 2d85 h LEU 44 CO 0.23 1.21 -0.09 0.44 0.09 0.00 0.00 178.44 180.32 2d85 h ASP 45 N -0.21 0.59 -0.93 -0.43 5.19 -0.94 -2.72 116.42 116.98 2d85 h ASP 45 Ca -0.08 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.18 2d85 h ASP 45 Cb 1.32 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 2d85 h ASP 45 CO 0.11 0.73 0.61 0.25 -3.12 0.00 0.00 179.24 177.82 2d85 h LEU 46 N 0.57 1.07 0.27 1.55 5.85 -1.42 0.65 115.31 123.84 2d85 h LEU 46 Ca 0.11 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2d85 h LEU 46 Cb 0.50 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2d85 h LEU 46 CO 0.03 0.78 -0.13 0.40 -0.34 0.00 0.00 178.44 179.18 2d85 h ILE 47 N 1.26 0.78 -0.29 4.05 2.04 -1.46 -3.23 117.51 120.66 2d85 h ILE 47 Ca 0.34 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2d85 h ILE 47 Cb -0.14 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2d85 h ILE 47 CO -0.07 0.11 0.09 -0.78 0.00 0.00 0.00 178.15 177.50 2d85 h ASP 48 N -0.65 0.08 -0.92 1.72 3.58 -1.35 -2.20 116.42 116.67 2d85 h ASP 48 Ca -0.04 0.04 0.29 0.00 0.42 0.00 0.00 57.03 57.74 2d85 h ASP 48 Cb 0.46 0.03 -0.17 0.00 1.72 0.00 0.00 39.33 41.37 2d85 h ASP 48 CO 0.06 0.08 0.15 0.00 -2.88 0.00 0.00 179.24 176.64 2d85 n ALA 49 N -2.31 0.60 0.05 -0.78 0.00 0.21 -1.33 120.51 116.94 2d85 n ALA 49 Ca -0.00 0.98 -0.04 0.00 0.00 0.00 0.00 53.44 54.38 2d85 n ALA 49 Cb 0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 2d85 n ALA 49 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d85 h ILE 50 N 0.00 0.03 -3.40 0.00 2.04 -1.46 -3.42 117.51 111.30 2d85 h ILE 50 Ca 0.62 -0.85 -0.72 0.00 1.00 0.00 0.00 64.86 64.92 2d85 h ILE 50 Cb 1.40 0.05 -0.31 0.00 -0.74 0.00 0.00 36.82 37.22 2d85 h ILE 50 CO -0.83 0.01 -0.40 -1.58 0.00 0.00 0.00 178.15 175.35 2d85 s GLN 51 N -2.33 2.43 0.18 2.37 2.00 -0.44 -5.07 119.66 118.79 2d85 s GLN 51 Ca -0.04 -1.91 -0.30 0.00 -2.00 0.00 0.00 55.36 51.11 2d85 s GLN 51 Cb 0.00 -3.85 -0.08 0.00 0.80 0.00 0.00 33.01 29.88 2d85 s GLN 51 CO 0.11 -1.17 1.32 -1.25 -0.50 0.00 0.00 175.29 173.80 2d85 s PRO 52 N 1.08 4.38 0.00 1.67 0.04 -1.00 -3.42 135.00 137.75 2d85 s PRO 52 Ca 0.08 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2d85 s PRO 52 Cb -0.24 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2d85 s PRO 52 CO -0.02 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2d85 n GLY 53 N 2.60 1.88 0.27 0.56 0.00 -1.26 -4.97 105.19 104.27 2d85 n GLY 53 Ca 0.07 -0.46 -0.10 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 1.55 -0.70 -3.87 1.61 4.64 -1.92 -3.42 113.55 111.43 2d85 h SER 54 Ca 0.00 0.05 -0.49 0.00 -0.47 0.00 0.00 61.79 60.88 2d85 h SER 54 Cb 0.00 0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2d85 h SER 54 CO 0.00 -0.37 0.42 -0.63 -0.87 0.00 0.00 176.83 175.38 2d85 s ILE 55 N -4.50 3.73 -0.40 0.95 -1.09 -1.26 -5.03 121.20 113.60 2d85 s ILE 55 Ca -0.10 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 59.86 2d85 s ILE 55 Cb 0.02 -3.89 0.13 0.00 -1.58 0.00 0.00 42.46 37.14 2d85 s ILE 55 CO 0.31 0.20 0.21 0.21 -1.23 0.00 0.00 174.94 174.65 2d85 s ASN 56 N -1.29 3.48 0.40 3.58 2.47 -1.26 -4.98 114.94 117.35 2d85 s ASN 56 Ca 0.50 -2.37 0.25 0.00 0.42 0.00 0.00 52.86 51.66 2d85 s ASN 56 Cb -0.26 -0.81 1.33 0.00 -1.45 0.00 0.00 41.25 40.06 2d85 s ASN 56 CO 0.32 -0.30 1.62 1.88 -3.72 0.00 0.00 177.10 176.91 2d85 h TYR 57 N 6.99 0.68 -0.89 0.43 0.05 -1.96 0.26 116.97 122.53 2d85 h TYR 57 Ca -0.01 0.03 0.22 0.00 0.05 0.00 0.00 58.73 59.02 2d85 h TYR 57 Cb 0.95 -0.17 -0.16 0.00 1.01 0.00 0.00 36.73 38.36 2d85 h TYR 57 CO 0.45 -0.26 -0.01 0.22 -1.05 0.00 0.00 178.16 177.52 2d85 h ASP 58 N 0.12 -0.46 0.76 3.88 1.82 -2.00 0.28 116.42 120.83 2d85 h ASP 58 Ca 0.81 0.24 -0.25 0.00 -0.39 0.00 0.00 57.03 57.44 2d85 h ASP 58 Cb 2.30 0.43 -0.01 0.00 0.68 0.00 0.00 39.33 42.73 2d85 h ASP 58 CO -0.53 -0.27 -1.18 -0.07 -1.61 0.00 0.00 179.24 175.58 2d85 h LEU 59 N 0.06 0.23-10.29 2.28 3.38 -0.94 -3.46 115.31 106.58 2d85 h LEU 59 Ca 0.50 -0.26 -0.50 0.00 0.09 0.00 0.00 57.88 57.71 2d85 h LEU 59 Cb 0.95 -0.08 0.16 0.00 0.09 0.00 0.00 40.66 41.78 2d85 h LEU 59 CO -0.82 1.21 0.23 -0.76 0.09 0.00 0.00 178.44 178.39 2d85 s LEU 60 N -6.92 2.47 -0.18 1.67 1.43 1.00 -5.02 118.68 113.13 2d85 s LEU 60 Ca -0.02 1.79 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 2d85 s LEU 60 Cb 0.08 -4.21 -0.06 0.00 0.03 0.00 0.00 46.19 42.03 2d85 s LEU 60 CO 0.85 -2.80 -0.34 0.29 0.23 0.00 0.00 176.35 174.59 2d85 n LYS 61 N -4.01 0.52 -3.13 1.70 4.01 -1.26 -4.91 118.16 111.08 2d85 n LYS 61 Ca 0.08 0.21 -0.19 0.00 -0.51 0.00 0.00 58.31 57.90 2d85 n LYS 61 Cb 0.54 -1.41 -0.01 0.00 -0.51 0.00 0.00 35.03 33.64 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 -4.42 -0.73 -3.61 -0.18 -2.24 -1.26 -4.92 114.28 96.92 2d85 n THR 62 Ca -0.17 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 2d85 n THR 62 Cb 0.54 -1.51 -0.16 0.00 -2.10 0.00 0.00 70.33 67.10 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 -5.75 0.05 -1.14 -0.78 -1.05 -1.26 -4.88 118.70 103.88 2d85 s GLU 63 Ca 0.29 0.20 -0.14 0.00 -0.15 0.00 0.00 54.97 55.16 2d85 s GLU 63 Cb -0.16 -1.13 0.14 0.00 -0.44 0.00 0.00 34.13 32.55 2d85 s GLU 63 CO 0.36 -0.52 0.36 0.27 0.95 0.00 0.00 175.26 176.68 2d85 n ASN 64 N 5.30 -1.24 -4.27 0.83 0.23 -1.26 -4.74 115.26 110.11 2d85 n ASN 64 Ca -0.05 -0.69 -0.39 0.00 -0.53 0.00 0.00 54.58 52.92 2d85 n ASN 64 Cb 0.49 -1.10 0.02 0.00 -2.08 0.00 0.00 39.78 37.12 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 -2.89 -2.99 -4.31 -4.53 4.77 -1.26 -5.00 117.00 100.79 2d85 n LEU 65 Ca 0.07 0.63 -0.17 0.00 -0.03 0.00 0.00 56.01 56.52 2d85 n LEU 65 Cb 0.34 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 2d85 n LEU 65 CO 0.59 -4.55 -0.37 0.54 -1.33 0.00 0.00 177.39 172.26 2d85 s ASN 66 N -1.04 1.99 0.34 -1.43 4.22 -1.26 -4.84 114.94 112.91 2d85 s ASN 66 Ca 0.58 -1.12 0.27 0.00 -2.14 0.00 0.00 52.86 50.45 2d85 s ASN 66 Cb -0.46 -0.03 1.12 0.00 1.28 0.00 0.00 41.25 43.16 2d85 s ASN 66 CO 0.65 -0.40 1.12 0.47 -2.04 0.00 0.00 177.10 176.90 2d85 n ASP 67 N -0.36 0.11 0.07 3.54 8.00 -1.26 0.18 116.55 126.83 2d85 n ASP 67 Ca -0.07 0.91 -0.03 0.00 0.71 0.00 0.00 54.79 56.30 2d85 n ASP 67 Cb 0.62 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 2d85 n ASP 67 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2d85 h ASP 68 N 0.00 -0.18 0.17 -2.24 3.58 -2.01 -3.19 116.42 112.55 2d85 h ASP 68 Ca 0.64 0.01 0.01 0.00 0.42 0.00 0.00 57.03 58.11 2d85 h ASP 68 Cb 2.24 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 43.31 2d85 h ASP 68 CO -0.24 0.04 -0.24 -0.33 -2.88 0.00 0.00 179.24 175.59 2d85 h GLU 69 N -0.55 -0.45 -0.92 0.28 4.39 -0.87 -2.59 114.58 113.87 2d85 h GLU 69 Ca -0.02 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.90 2d85 h GLU 69 Cb 0.17 0.10 -0.17 0.00 -0.10 0.00 0.00 28.75 28.74 2d85 h GLU 69 CO 0.04 -0.30 -0.21 1.63 -1.16 0.00 0.00 179.01 179.01 2d85 n LYS 70 N -5.36 -0.08 0.10 2.33 5.02 0.13 -0.57 118.16 119.73 2d85 n LYS 70 Ca -0.07 1.43 -0.14 0.00 -2.02 0.00 0.00 58.31 57.50 2d85 n LYS 70 Cb 0.27 -2.14 -0.08 0.00 -0.02 0.00 0.00 35.03 33.05 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 -1.35 -0.99 -0.35 5.85 -1.44 0.39 115.31 117.41 2d85 h LEU 71 Ca 0.45 0.14 0.24 0.00 0.84 0.00 0.00 57.88 59.56 2d85 h LEU 71 Cb 0.72 0.50 -0.13 0.00 0.37 0.00 0.00 40.66 42.12 2d85 h LEU 71 CO -0.94 -0.48 0.56 0.78 -0.34 0.00 0.00 178.44 178.03 2d85 h ASN 72 N -0.65 0.62 -0.40 1.25 2.35 -0.81 0.22 115.58 118.16 2d85 h ASN 72 Ca -0.01 0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 2d85 h ASN 72 Cb 0.65 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2d85 h ASN 72 CO -0.24 0.08 -0.24 0.78 -1.65 0.00 0.00 177.43 176.17 2d85 h ASN 73 N 0.55 0.90 -0.39 5.81 4.21 -0.19 -1.68 115.58 124.80 2d85 h ASN 73 Ca 0.63 -0.42 -0.02 0.00 1.21 0.00 0.00 56.30 57.70 2d85 h ASN 73 Cb 1.21 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.14 2d85 h ASN 73 CO -0.49 1.13 0.15 0.00 -1.29 0.00 0.00 177.43 176.92 2d85 h ALA 74 N 0.81 0.50 -0.63 -0.83 0.00 0.27 -0.68 119.26 118.70 2d85 h ALA 74 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2d85 h ALA 74 Cb 0.80 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2d85 h ALA 74 CO 0.07 0.12 0.16 0.87 0.00 0.00 0.00 179.25 180.46 2d85 h LYS 75 N 0.48 1.01 -0.51 0.00 1.57 -0.85 -2.40 116.57 115.86 2d85 h LYS 75 Ca 0.13 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2d85 h LYS 75 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2d85 h LYS 75 CO -0.01 0.91 0.12 -0.92 -0.57 0.00 0.00 179.45 178.99 2d85 h TYR 76 N 0.93 0.86 0.77 -1.35 3.20 -1.13 -0.33 116.97 119.93 2d85 h TYR 76 Ca 0.20 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2d85 h TYR 76 Cb 0.35 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2d85 h TYR 76 CO 0.03 0.77 -0.47 0.00 -1.64 0.00 0.00 178.16 176.84 2d85 h ALA 77 N 1.00 -1.20 -0.61 1.82 0.00 -0.96 0.09 119.26 119.39 2d85 h ALA 77 Ca 0.16 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2d85 h ALA 77 Cb 0.34 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2d85 h ALA 77 CO 0.00 -1.19 0.37 0.82 0.00 0.00 0.00 179.25 179.25 2d85 h ILE 78 N -1.16 1.05 -0.44 0.00 2.04 -1.45 -1.45 117.51 116.10 2d85 h ILE 78 Ca -0.10 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.57 2d85 h ILE 78 Cb 0.93 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2d85 h ILE 78 CO 0.11 0.13 0.16 0.28 0.00 0.00 0.00 178.15 178.83 2d85 h SER 79 N 0.71 0.19 -0.19 1.72 0.02 -0.91 -2.48 113.55 112.61 2d85 h SER 79 Ca 0.25 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2d85 h SER 79 Cb 0.06 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2d85 h SER 79 CO -0.12 0.14 0.10 -0.03 -1.14 0.00 0.00 176.83 175.78 2d85 h MET 80 N 0.34 0.27 -0.66 3.45 1.85 -0.54 -1.00 114.93 118.64 2d85 h MET 80 Ca 0.20 -0.03 0.13 0.00 -0.61 0.00 0.00 59.70 59.39 2d85 h MET 80 Cb 0.18 -0.05 -0.13 0.00 0.43 0.00 0.00 31.60 32.03 2d85 h MET 80 CO -0.20 0.26 -0.20 0.00 -0.40 0.00 0.00 176.91 176.38 2d85 h ALA 81 N 0.99 0.36 -0.05 0.39 0.00 -0.84 0.28 119.26 120.39 2d85 h ALA 81 Ca 0.07 0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2d85 h ALA 81 Cb 0.08 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2d85 h ALA 81 CO -0.01 -0.46 -0.53 -0.09 0.00 0.00 0.00 179.25 178.15 2d85 h ARG 82 N -0.03 0.13 0.36 0.00 2.43 -1.31 0.33 114.38 116.28 2d85 h ARG 82 Ca 0.31 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2d85 h ARG 82 Cb 0.51 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2d85 h ARG 82 CO -0.70 0.63 -0.27 -0.22 -1.51 0.00 0.00 179.97 177.90 2d85 h LYS 83 N 0.10 -0.61 0.00 0.20 1.63 0.88 -1.82 116.57 116.95 2d85 h LYS 83 Ca -0.00 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2d85 h LYS 83 Cb 0.97 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2d85 h LYS 83 CO 0.08 -0.40 -0.03 -0.84 -3.45 0.00 0.00 179.45 174.80 2d85 h ILE 84 N -0.63 0.14 0.00 2.00 3.07 -1.23 -3.45 117.51 117.42 2d85 h ILE 84 Ca -0.03 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 66.05 2d85 h ILE 84 Cb 0.55 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 2d85 h ILE 84 CO -0.01 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 177.73 2d85 n GLY 85 N -0.55 0.93 2.79 0.16 0.00 -0.69 -5.12 105.19 102.72 2d85 n GLY 85 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 2.41 -0.61 4.61 0.00 0.11 -4.95 121.76 123.31 2d85 s ALA 86 Ca 0.00 -2.65 -0.26 0.00 0.00 0.00 0.00 51.96 49.05 2d85 s ALA 86 Cb 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 2d85 s ALA 86 CO 0.00 -1.98 2.44 0.54 0.00 0.00 0.00 175.76 176.76 2d85 n ARG 87 N 3.64 0.82 -4.91 0.00 5.12 -1.26 -3.19 116.66 116.88 2d85 n ARG 87 Ca 0.06 -0.15 -0.33 0.00 -1.93 0.00 0.00 57.85 55.50 2d85 n ARG 87 Cb 0.35 -3.23 -0.14 0.00 -1.16 0.00 0.00 32.46 28.28 2d85 n ARG 87 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2d85 s VAL 88 N 12.09 2.96 -0.58 1.55 1.01 -1.26 -4.87 120.40 131.29 2d85 s VAL 88 Ca 1.02 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.30 2d85 s VAL 88 Cb -0.30 -2.17 0.35 0.00 0.00 0.00 0.00 36.38 34.27 2d85 s VAL 88 CO 0.26 0.58 0.99 0.00 0.00 0.00 0.00 175.10 176.93 2d85 n TYR 89 N 2.59 3.97 -4.54 5.22 9.36 -1.26 -5.03 117.16 127.46 2d85 n TYR 89 Ca -0.17 -3.87 -0.25 0.00 3.32 0.00 0.00 57.90 56.93 2d85 n TYR 89 Cb 0.52 -0.47 -0.10 0.00 -0.63 0.00 0.00 39.34 38.66 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 -3.51 2.86 -0.04 2.98 0.00 -1.26 -4.96 121.76 117.83 2d85 s ALA 90 Ca 0.49 -1.80 0.07 0.00 0.00 0.00 0.00 51.96 50.72 2d85 s ALA 90 Cb 0.29 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 2d85 s ALA 90 CO -0.15 -0.23 -0.25 -1.17 0.00 0.00 0.00 175.76 173.97 2d85 s LEU 91 N -3.61 2.05 0.39 0.00 2.96 -1.26 -5.01 118.68 114.20 2d85 s LEU 91 Ca 0.31 -0.48 0.28 0.00 -0.22 0.00 0.00 54.13 54.02 2d85 s LEU 91 Cb 0.07 -1.32 1.18 0.00 0.50 0.00 0.00 46.19 46.62 2d85 s LEU 91 CO 0.14 0.27 1.84 1.55 -1.32 0.00 0.00 176.35 178.83 2d85 h PRO 92 N 5.84 0.00 -0.08 0.98 0.13 -1.95 -2.80 132.00 134.12 2d85 h PRO 92 Ca -0.36 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.63 2d85 h PRO 92 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2d85 h PRO 92 CO 0.47 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 178.60 2d85 h GLU 93 N 0.00 0.23 0.11 0.86 4.39 -1.95 -2.93 114.58 115.30 2d85 h GLU 93 Ca 0.00 -0.15 -0.31 0.00 0.34 0.00 0.00 59.36 59.24 2d85 h GLU 93 Cb 0.42 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2d85 h GLU 93 CO 0.00 0.74 -1.62 0.38 -1.16 0.00 0.00 179.01 177.35 2d85 h ASP 94 N 0.18 0.36 -0.43 1.42 3.04 -1.90 -3.36 116.42 115.73 2d85 h ASP 94 Ca -0.00 -0.55 0.05 0.00 -3.24 0.00 0.00 57.03 53.28 2d85 h ASP 94 Cb 1.05 -0.12 -0.04 0.00 -1.04 0.00 0.00 39.33 39.18 2d85 h ASP 94 CO 0.09 1.47 0.17 0.25 -2.04 0.00 0.00 179.24 179.18 2d85 h LEU 95 N 0.06 0.20 -1.81 0.15 5.85 -1.51 -0.94 115.31 117.31 2d85 h LEU 95 Ca -0.27 0.04 0.33 0.00 0.84 0.00 0.00 57.88 58.82 2d85 h LEU 95 Cb 2.02 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 43.00 2d85 h LEU 95 CO 0.14 0.15 0.81 0.58 -0.34 0.00 0.00 178.44 179.78 2d85 h VAL 96 N 0.35 0.42 -0.82 1.05 2.07 -1.66 0.72 116.25 118.38 2d85 h VAL 96 Ca 0.20 -0.04 -0.48 0.00 0.82 0.00 0.00 66.70 67.20 2d85 h VAL 96 Cb 0.16 0.31 -0.27 0.00 -1.52 0.00 0.00 31.29 29.98 2d85 h VAL 96 CO -0.18 0.02 0.41 -0.62 0.02 0.00 0.00 177.57 177.22 2d85 n GLU 97 N -4.31 2.37 -4.02 1.57 1.02 -0.45 -4.65 120.64 112.16 2d85 n GLU 97 Ca 0.26 -3.22 -0.32 0.00 -0.02 0.00 0.00 57.16 53.85 2d85 n GLU 97 Cb 1.16 -2.13 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.05 -1.44 -2.92 2.62 0.31 0.25 -4.84 118.33 111.27 2d85 n VAL 98 Ca 0.53 -0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 63.98 2d85 n VAL 98 Cb 1.20 -1.29 -0.05 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 -3.98 6.41 0.00 4.52 3.84 -0.66 -4.90 114.94 120.17 2d85 s ASN 99 Ca 0.19 -0.13 0.15 0.00 0.21 0.00 0.00 52.86 53.28 2d85 s ASN 99 Cb -0.11 -2.40 0.81 0.00 -0.55 0.00 0.00 41.25 39.00 2d85 s ASN 99 CO 0.82 -0.99 1.38 -0.81 -2.79 0.00 0.00 177.10 174.71 2d85 n PRO 100 N 6.91 0.31 -0.17 0.43 -0.04 -1.26 -2.36 135.00 138.82 2d85 n PRO 100 Ca 0.03 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 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 0.99 0.00 0.54 1.79 -1.97 -3.14 116.57 114.79 2d85 h LYS 101 Ca 0.00 -0.39 -0.30 0.00 -2.18 0.00 0.00 60.65 57.77 2d85 h LYS 101 Cb 0.09 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.63 2d85 h LYS 101 CO 0.00 1.07 -2.13 -1.33 -1.08 0.00 0.00 179.45 175.98 2d85 n MET 102 N -4.16 1.10 0.30 3.15 2.81 -1.16 -4.37 117.12 114.80 2d85 n MET 102 Ca 0.01 0.03 0.17 0.00 -1.81 0.00 0.00 57.70 56.09 2d85 n MET 102 Cb 0.42 -1.42 0.89 0.00 -0.71 0.00 0.00 33.22 32.41 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 0.00 -0.80 2.03 2.07 -1.58 -1.49 116.25 116.48 2d85 h VAL 103 Ca -0.45 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.26 2d85 h VAL 103 Cb 1.92 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2d85 h VAL 103 CO -0.00 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.13 2d85 h MET 104 N 0.00 0.29 0.03 1.57 3.00 -1.74 -2.62 114.93 115.46 2d85 h MET 104 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 59.70 59.30 2d85 h MET 104 Cb 0.35 -0.07 -0.05 0.00 0.00 0.00 0.00 31.60 31.83 2d85 h MET 104 CO 0.00 0.19 -2.24 0.25 0.00 0.00 0.00 176.91 175.12 2d85 n THR 105 N -4.45 1.58 -0.30 -0.10 -2.24 -0.57 -3.36 114.28 104.85 2d85 n THR 105 Ca 0.16 -0.50 0.24 0.00 -2.27 0.00 0.00 64.05 61.68 2d85 n THR 105 Cb 0.66 -1.66 0.45 0.00 -2.10 0.00 0.00 70.33 67.69 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 -3.62 -0.38 -0.03 2.28 0.31 -1.01 -0.34 118.33 115.54 2d85 n VAL 106 Ca -0.42 1.88 -0.22 0.00 -0.01 0.00 0.00 64.34 65.57 2d85 n VAL 106 Cb 0.96 -2.95 -0.13 0.00 -0.91 0.00 0.00 33.84 30.80 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 0.33 -1.00 3.52 0.04 -1.71 -3.35 116.94 114.77 2d85 h PHE 107 Ca 0.70 -0.24 0.38 0.00 2.80 0.00 0.00 57.97 61.61 2d85 h PHE 107 Cb 1.75 -0.01 -0.18 0.00 2.20 0.00 0.00 35.95 39.71 2d85 h PHE 107 CO -0.15 1.64 0.41 0.00 -0.60 0.00 0.00 178.31 179.62 2d85 h ALA 108 N -0.13 1.93 -0.27 2.45 0.00 -0.69 1.70 119.26 124.25 2d85 h ALA 108 Ca -0.37 0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2d85 h ALA 108 Cb 1.75 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 2d85 h ALA 108 CO -0.01 -0.87 -0.40 0.00 0.00 0.00 0.00 179.25 177.97 2d85 h LEU 110 N 0.53 -0.22 -2.02 0.00 3.38 0.21 -3.30 115.31 113.89 2d85 h LEU 110 Ca 0.04 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.14 2d85 h LEU 110 Cb 0.93 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2d85 h LEU 110 CO 0.08 0.24 0.31 0.00 0.09 0.00 0.00 178.44 179.17 2d85 h MET 111 N -1.06 0.00 -0.91 1.13 -0.00 -0.14 -2.53 114.93 111.41 2d85 h MET 111 Ca -0.03 0.00 0.38 0.00 -0.00 0.00 0.00 59.70 60.05 2d85 h MET 111 Cb 0.20 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 31.64 2d85 h MET 111 CO 0.04 0.00 0.50 0.41 -0.00 0.00 0.00 176.91 177.87 2d85 n GLY 112 N -1.60 -0.67 0.27 -3.00 0.00 -0.37 0.14 105.19 99.96 2d85 n GLY 112 Ca 0.07 0.72 0.02 0.00 0.00 0.00 0.00 46.02 46.83 2d85 n GLY 112 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2d85 h LYS 113 N 0.00 0.52 -0.75 1.61 3.11 -1.66 -1.58 116.57 117.81 2d85 h LYS 113 Ca 0.76 -0.03 0.10 0.00 -2.81 0.00 0.00 60.65 58.67 2d85 h LYS 113 Cb 2.04 -0.12 -0.08 0.00 -1.00 0.00 0.00 32.23 33.08 2d85 h LYS 113 CO -0.67 0.34 0.39 0.78 -2.81 0.00 0.00 179.45 177.48 2d85 h GLY 114 N 0.53 1.15 -7.19 5.01 0.00 0.10 -3.38 103.07 99.30 2d85 h GLY 114 Ca 0.37 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 2d85 h GLY 114 CO -0.31 0.06 0.75 1.03 0.00 0.00 0.00 176.54 178.06 2d85 n MET 115 N -4.84 0.31 -3.67 4.80 2.81 -0.60 -4.79 117.12 111.14 2d85 n MET 115 Ca 0.12 -0.59 -0.29 0.00 -1.81 0.00 0.00 57.70 55.14 2d85 n MET 115 Cb 0.30 -2.67 -0.12 0.00 -0.71 0.00 0.00 33.22 30.02 2d85 n MET 115 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2d85 s LYS 116 N 8.06 1.39 0.45 0.03 2.36 -1.26 -5.06 119.74 125.70 2d85 s LYS 116 Ca 1.01 -2.25 0.03 0.00 -2.55 0.00 0.00 55.97 52.21 2d85 s LYS 116 Cb -0.36 -2.29 -0.02 0.00 -1.05 0.00 0.00 37.83 34.11 2d85 s LYS 116 CO 0.25 -1.24 0.11 1.03 1.55 0.00 0.00 175.35 177.05 2d85 s ARG 117 N -0.02 2.04 -0.10 4.03 0.52 -1.26 -5.17 118.95 118.98 2d85 s ARG 117 Ca 0.22 -2.27 -0.30 0.00 -0.52 0.00 0.00 55.73 52.87 2d85 s ARG 117 Cb -0.14 -0.80 0.07 0.00 0.52 0.00 0.00 34.95 34.59 2d85 s ARG 117 CO -0.07 -0.49 0.69 0.54 0.02 0.00 0.00 175.30 175.99 2d85 s VAL 118 N -3.11 0.00 -0.11 3.52 0.11 -1.26 -5.12 120.40 114.43 2d85 s VAL 118 Ca 0.18 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 58.89 2d85 s VAL 118 Cb 0.01 -1.00 -0.16 0.00 -1.53 0.00 0.00 36.38 33.70 2d85 s VAL 118 CO 0.12 0.00 0.97 -1.20 -3.33 0.00 0.00 175.10 171.66 2d85 n SER 119 N 1.31 0.27 -4.25 3.54 7.64 -1.26 -4.94 113.62 115.93 2d85 n SER 119 Ca -0.18 0.93 -0.14 0.00 1.01 0.00 0.00 58.87 60.50 2d85 n SER 119 Cb 0.57 -0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 62.94 2d85 n SER 119 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d85 s GLY 120 N 0.67 1.36 0.43 0.23 0.00 -1.26 -5.04 107.32 103.71 2d85 s GLY 120 Ca 0.76 -1.67 0.22 0.00 0.00 0.00 0.00 44.72 44.03 2d85 s GLY 120 CO 0.51 -1.52 1.85 -0.56 0.00 0.00 0.00 173.10 173.39 2d85 h PRO 121 N 2.62 0.00 -6.34 2.90 0.13 -2.02 -3.46 132.00 125.83 2d85 h PRO 121 Ca -0.37 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.27 2d85 h PRO 121 Cb 1.22 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 2d85 h PRO 121 CO 0.61 0.27 -0.72 -1.13 -0.23 0.00 0.00 178.00 176.80 2d85 n SER 122 N -3.57 -0.95 0.03 1.44 3.41 -1.26 -4.79 113.62 107.93 2d85 n SER 122 Ca -0.01 -0.97 -0.10 0.00 -0.26 0.00 0.00 58.87 57.53 2d85 n SER 122 Cb 0.41 -1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.05 2d85 n SER 122 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d85 h SER 123 N -0.78 -0.15 0.00 4.04 0.87 -2.06 -3.57 113.55 111.89 2d85 h SER 123 Ca -0.48 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2d85 h SER 123 Cb 1.08 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2d85 h SER 123 CO 0.67 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 178.02