#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 5.45 -0.20 1.61 0.01 -1.26 -4.87 113.70 114.44 2d85 s SER 2 Ca 0.00 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 56.47 2d85 s SER 2 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.77 2d85 s SER 2 CO 0.00 -2.44 0.38 -0.55 0.41 0.00 0.00 173.24 171.03 2d85 s SER 3 N 7.32 0.04 0.00 2.44 0.15 -1.26 -5.13 113.70 117.26 2d85 s SER 3 Ca 0.64 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2d85 s SER 3 Cb -0.06 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 2d85 s SER 3 CO -0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2d85 n GLY 4 N 5.37 0.33 3.55 9.45 0.00 -1.26 -4.82 105.19 117.82 2d85 n GLY 4 Ca -0.06 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 2d85 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d85 s SER 5 N -1.58 5.56 1.29 1.61 1.04 -1.26 -4.98 113.70 115.38 2d85 s SER 5 Ca 0.00 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 2d85 s SER 5 Cb 0.00 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 63.88 2d85 s SER 5 CO 0.00 -2.21 0.75 -1.54 0.98 0.00 0.00 173.24 171.22 2d85 n SER 6 N 11.69 -3.10 -4.77 7.02 3.41 -1.26 -4.95 113.62 121.66 2d85 n SER 6 Ca 0.16 -0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 57.87 2d85 n SER 6 Cb 0.51 -1.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 2d85 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d85 s GLY 7 N -2.57 2.93 -0.11 5.00 0.00 -1.26 -4.97 107.32 106.35 2d85 s GLY 7 Ca 0.62 0.54 0.03 0.00 0.00 0.00 0.00 44.72 45.92 2d85 s GLY 7 CO 0.58 1.04 -0.06 1.16 0.00 0.00 0.00 173.10 175.81 2d85 n ASN 8 N 1.01 2.99 0.09 1.64 6.94 -1.26 -4.24 115.26 122.43 2d85 n ASN 8 Ca -0.00 -0.04 0.10 0.00 -0.02 0.00 0.00 54.58 54.61 2d85 n ASN 8 Cb 0.49 0.09 -0.02 0.00 -2.36 0.00 0.00 39.78 37.98 2d85 n ASN 8 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2d85 n ASP 9 N -2.69 0.82 0.05 0.53 8.00 -1.26 -4.03 116.55 117.97 2d85 n ASP 9 Ca -0.19 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.52 2d85 n ASP 9 Cb 0.74 0.48 -0.13 0.00 -0.02 0.00 0.00 41.12 42.19 2d85 n ASP 9 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2d85 h ASP 10 N 0.00 0.17 0.63 -2.24 1.82 -1.98 -3.24 116.42 111.57 2d85 h ASP 10 Ca -0.02 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 2d85 h ASP 10 Cb 1.08 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2d85 h ASP 10 CO 0.01 1.17 0.00 0.00 -1.61 0.00 0.00 179.24 178.81 2d85 n ILE 11 N -3.35 0.90 -0.32 2.25 3.06 -1.26 -3.13 119.36 117.51 2d85 n ILE 11 Ca -0.08 0.23 0.16 0.00 -2.50 0.00 0.00 62.75 60.56 2d85 n ILE 11 Cb 1.00 -1.07 0.40 0.00 0.54 0.00 0.00 39.64 40.51 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 0.68 0.10 9.51 2.04 -1.70 0.35 117.51 128.48 2d85 h ILE 12 Ca 0.00 -0.21 -0.23 0.00 1.00 0.00 0.00 64.86 65.42 2d85 h ILE 12 Cb 0.32 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2d85 h ILE 12 CO 0.00 0.11 -1.12 0.58 0.00 0.00 0.00 178.15 177.72 2d85 h VAL 13 N 0.61 1.21 0.59 1.67 2.07 -1.80 -3.29 116.25 117.32 2d85 h VAL 13 Ca 0.55 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 2d85 h VAL 13 Cb 1.06 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 2d85 h VAL 13 CO -0.31 0.67 -0.41 0.78 0.02 0.00 0.00 177.57 178.32 2d85 h ASN 14 N -0.44 -1.05 -0.55 0.57 4.21 -1.51 -2.23 115.58 114.59 2d85 h ASN 14 Ca -0.24 0.07 0.08 0.00 1.21 0.00 0.00 56.30 57.41 2d85 h ASN 14 Cb 1.63 0.32 -0.10 0.00 -1.12 0.00 0.00 38.32 39.05 2d85 h ASN 14 CO 0.06 -0.61 -0.48 -0.25 -1.29 0.00 0.00 177.43 174.85 2d85 h TRP 15 N -0.96 -1.43 -0.69 1.19 7.01 -0.52 0.65 115.95 121.20 2d85 h TRP 15 Ca -0.07 0.08 0.15 0.00 2.11 0.00 0.00 58.89 61.16 2d85 h TRP 15 Cb 0.79 0.70 -0.12 0.00 -2.10 0.00 0.00 29.16 28.44 2d85 h TRP 15 CO -0.13 -0.44 0.03 0.28 -2.79 0.00 0.00 178.44 175.38 2d85 h VAL 16 N -0.27 0.43 0.49 2.65 2.07 -1.60 0.37 116.25 120.39 2d85 h VAL 16 Ca 0.15 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2d85 h VAL 16 Cb 0.57 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2d85 h VAL 16 CO -0.67 0.02 -0.23 0.78 0.02 0.00 0.00 177.57 177.49 2d85 h ASN 17 N 0.13 -0.55 0.00 0.57 2.35 -0.33 -2.59 115.58 115.16 2d85 h ASN 17 Ca 0.37 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.16 2d85 h ASN 17 Cb 0.63 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 2d85 h ASN 17 CO -0.58 -0.39 -0.51 -0.33 -1.65 0.00 0.00 177.43 173.96 2d85 h GLU 18 N -0.66 -0.62 -0.91 0.81 5.08 -0.64 0.16 114.58 117.80 2d85 h GLU 18 Ca -0.07 0.04 0.32 0.00 -1.00 0.00 0.00 59.36 58.65 2d85 h GLU 18 Cb 0.50 0.14 -0.17 0.00 0.50 0.00 0.00 28.75 29.72 2d85 h GLU 18 CO 0.11 -0.41 0.26 2.41 -1.00 0.00 0.00 179.01 180.37 2d85 n THR 19 N -5.29 -0.38 -0.01 1.13 -1.04 0.13 0.69 114.28 109.50 2d85 n THR 19 Ca -0.07 1.94 -0.16 0.00 -2.04 0.00 0.00 64.05 63.71 2d85 n THR 19 Cb 0.38 -2.98 -0.11 0.00 -1.82 0.00 0.00 70.33 65.80 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 0.42 -0.63 -4.42 3.38 -0.79 -2.96 115.31 110.29 2d85 h LEU 20 Ca 0.67 -0.73 0.13 0.00 0.09 0.00 0.00 57.88 58.04 2d85 h LEU 20 Cb 1.60 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 42.11 2d85 h LEU 20 CO -0.78 1.09 -0.02 -0.09 0.09 0.00 0.00 178.44 178.72 2d85 h ARG 21 N -0.22 0.09 -0.01 1.13 1.12 0.31 0.58 114.38 117.37 2d85 h ARG 21 Ca -0.05 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.74 2d85 h ARG 21 Cb 1.14 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.07 2d85 h ARG 21 CO 0.09 0.06 -0.34 0.93 -3.11 0.00 0.00 179.97 177.59 2d85 h GLU 22 N 0.09 0.03 0.00 0.20 4.39 -1.20 -2.12 114.58 115.97 2d85 h GLU 22 Ca 0.33 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2d85 h GLU 22 Cb 0.54 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2d85 h GLU 22 CO -0.56 0.37 -0.16 0.00 -1.16 0.00 0.00 179.01 177.49 2d85 n ALA 23 N -2.47 2.58 -2.94 3.43 0.00 0.96 -4.94 120.51 117.13 2d85 n ALA 23 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2d85 n ALA 23 Cb 0.39 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.82 -3.88 -3.60 0.00 1.02 0.16 -5.03 120.64 107.49 2d85 n GLU 24 Ca 0.06 0.44 -0.33 0.00 -0.02 0.00 0.00 57.16 57.30 2d85 n GLU 24 Cb 0.38 -4.26 -0.05 0.00 -0.02 0.00 0.00 31.44 27.49 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 -5.30 3.71 -0.03 3.49 3.01 -0.88 -4.98 119.74 118.76 2d85 s LYS 25 Ca 0.19 0.08 0.10 0.00 -1.01 0.00 0.00 55.97 55.33 2d85 s LYS 25 Cb -0.08 -2.93 0.33 0.00 -1.01 0.00 0.00 37.83 34.14 2d85 s LYS 25 CO 0.38 0.52 1.22 0.43 0.51 0.00 0.00 175.35 178.40 2d85 n SER 26 N 0.57 2.22 -4.84 2.83 7.64 -1.26 -4.75 113.62 116.03 2d85 n SER 26 Ca -0.06 -2.11 -0.26 0.00 1.01 0.00 0.00 58.87 57.45 2d85 n SER 26 Cb 0.52 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 2d85 n SER 26 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d85 s SER 27 N -0.85 5.76 -0.03 6.43 1.04 -1.26 -5.07 113.70 119.72 2d85 s SER 27 Ca 0.24 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 2d85 s SER 27 Cb 0.14 -1.58 0.11 0.00 0.10 0.00 0.00 66.02 64.80 2d85 s SER 27 CO 0.14 0.06 1.19 -0.94 0.98 0.00 0.00 173.24 174.67 2d85 s SER 28 N -3.16 -0.12 0.01 7.02 1.04 -1.26 -4.89 113.70 112.34 2d85 s SER 28 Ca 0.32 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.63 2d85 s SER 28 Cb -0.10 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2d85 s SER 28 CO 0.25 -0.41 -0.08 0.27 0.98 0.00 0.00 173.24 174.25 2d85 s ILE 29 N -2.62 0.61 -0.09 -1.02 -4.36 -1.26 -4.70 121.20 107.76 2d85 s ILE 29 Ca 0.12 -0.56 -0.10 0.00 -0.26 0.00 0.00 60.65 59.85 2d85 s ILE 29 Cb 0.02 -0.56 -0.28 0.00 1.25 0.00 0.00 42.46 42.89 2d85 s ILE 29 CO -0.03 0.01 0.52 -1.28 0.24 0.00 0.00 174.94 174.40 2d85 h SER 30 N 5.51 0.49 -5.45 4.36 0.87 -1.95 -3.48 113.55 113.89 2d85 h SER 30 Ca -0.32 -0.92 0.21 0.00 -1.23 0.00 0.00 61.79 59.53 2d85 h SER 30 Cb 1.19 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 2d85 h SER 30 CO 0.47 1.79 0.59 -0.55 -0.53 0.00 0.00 176.83 178.60 2d85 s SER 31 N -7.15 -0.09 0.54 6.23 0.15 -1.26 -5.00 113.70 107.11 2d85 s SER 31 Ca -0.20 -0.44 0.38 0.00 0.70 0.00 0.00 55.95 56.40 2d85 s SER 31 Cb 0.06 0.42 1.56 0.00 -1.71 0.00 0.00 66.02 66.35 2d85 s SER 31 CO 0.80 -0.80 1.76 -0.26 1.20 0.00 0.00 173.24 175.94 2d85 h PHE 32 N 2.00 0.05 -1.48 3.44 0.04 -2.01 0.35 116.94 119.33 2d85 h PHE 32 Ca -0.26 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 59.79 2d85 h PHE 32 Cb 1.22 -0.01 -0.28 0.00 2.20 0.00 0.00 35.95 39.08 2d85 h PHE 32 CO 0.72 -0.00 0.97 1.63 -0.60 0.00 0.00 178.31 181.03 2d85 n LYS 33 N -4.17 2.72 -3.07 1.51 5.02 -1.26 -4.74 118.16 114.16 2d85 n LYS 33 Ca 0.29 -3.40 -0.39 0.00 -2.02 0.00 0.00 58.31 52.79 2d85 n LYS 33 Cb 1.37 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.47 7.06 0.12 4.39 -1.08 0.12 -4.98 116.67 120.83 2d85 s ASP 34 Ca 0.59 1.27 -0.13 0.00 -0.52 0.00 0.00 52.55 53.75 2d85 s ASP 34 Cb 0.48 -2.42 -0.07 0.00 -1.46 0.00 0.00 42.92 39.45 2d85 s ASP 34 CO -0.21 -0.01 1.44 1.55 0.52 0.00 0.00 175.17 178.47 2d85 h PRO 35 N 6.05 0.81 -1.00 4.34 0.13 -1.94 -3.10 132.00 137.29 2d85 h PRO 35 Ca -0.43 -0.43 0.25 0.00 -0.87 0.00 0.00 66.00 64.52 2d85 h PRO 35 Cb 1.20 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 2d85 h PRO 35 CO 0.72 1.06 0.66 0.87 -0.23 0.00 0.00 178.00 181.09 2d85 h LYS 36 N 0.59 0.32 -0.89 0.86 6.56 -1.94 0.25 116.57 122.32 2d85 h LYS 36 Ca 0.05 -0.02 0.24 0.00 -1.06 0.00 0.00 60.65 59.86 2d85 h LYS 36 Cb 0.92 -0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 32.46 2d85 h LYS 36 CO 0.08 0.21 0.62 0.82 -2.06 0.00 0.00 179.45 179.12 2d85 h ILE 37 N 0.33 0.60 -0.69 1.86 2.04 -1.85 -0.38 117.51 119.41 2d85 h ILE 37 Ca 0.54 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 66.47 2d85 h ILE 37 Cb 1.49 0.44 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 2d85 h ILE 37 CO -0.20 0.03 0.25 -1.28 0.00 0.00 0.00 178.15 176.94 2d85 h SER 38 N 0.15 0.20 0.59 1.72 0.87 -0.69 0.51 113.55 116.90 2d85 h SER 38 Ca 0.44 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2d85 h SER 38 Cb 1.50 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2d85 h SER 38 CO -0.07 0.09 0.00 0.35 -0.53 0.00 0.00 176.83 176.66 2d85 n THR 39 N -5.03 0.39 -2.13 2.23 -2.24 -0.16 -4.69 114.28 102.65 2d85 n THR 39 Ca 0.12 0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.83 2d85 n THR 39 Cb 0.37 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.39 -5.02 0.06 3.42 7.64 0.18 -4.83 113.62 113.67 2d85 n SER 40 Ca 0.08 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 2d85 n SER 40 Cb 0.22 -4.09 -0.09 0.00 -1.01 0.00 0.00 64.21 59.24 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 -0.13 -0.75 -3.43 3.38 -1.78 -0.39 115.31 112.21 2d85 h LEU 41 Ca -0.39 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.14 2d85 h LEU 41 Cb 1.26 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2d85 h LEU 41 CO 0.48 0.25 -0.43 1.55 0.09 0.00 0.00 178.44 180.38 2d85 h PRO 42 N -0.54 0.42 -0.20 1.13 0.13 -1.84 -0.54 132.00 130.56 2d85 h PRO 42 Ca -0.02 -0.22 -0.15 0.00 -0.87 0.00 0.00 66.00 64.74 2d85 h PRO 42 Cb 0.43 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2d85 h PRO 42 CO 0.03 0.78 -0.47 0.28 -0.23 0.00 0.00 178.00 178.38 2d85 h VAL 43 N 0.34 1.32 0.03 1.56 2.07 -1.90 -1.03 116.25 118.64 2d85 h VAL 43 Ca 0.03 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 2d85 h VAL 43 Cb 0.91 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2d85 h VAL 43 CO 0.08 0.53 -0.01 -0.07 0.02 0.00 0.00 177.57 178.12 2d85 h LEU 44 N 0.37 -0.03 -0.81 2.57 3.38 -1.05 -3.13 115.31 116.61 2d85 h LEU 44 Ca -0.00 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.42 2d85 h LEU 44 Cb 1.08 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2d85 h LEU 44 CO 0.10 0.55 0.54 0.44 0.09 0.00 0.00 178.44 180.16 2d85 h ASP 45 N -0.63 0.94 -0.94 -0.43 3.32 -1.19 -2.07 116.42 115.42 2d85 h ASP 45 Ca -0.00 -0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.18 2d85 h ASP 45 Cb 0.58 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 2d85 h ASP 45 CO 0.01 0.68 0.60 0.25 -1.72 0.00 0.00 179.24 179.05 2d85 h LEU 46 N 1.10 0.69 -0.31 1.55 5.85 -1.23 0.19 115.31 123.15 2d85 h LEU 46 Ca 0.30 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.88 2d85 h LEU 46 Cb -0.13 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2d85 h LEU 46 CO -0.06 0.32 -0.59 0.40 -0.34 0.00 0.00 178.44 178.16 2d85 h ILE 47 N 0.71 1.28 -0.27 4.05 2.04 -1.33 -3.25 117.51 120.74 2d85 h ILE 47 Ca 0.49 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 2d85 h ILE 47 Cb 0.80 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2d85 h ILE 47 CO -0.25 0.58 -0.05 -0.78 0.00 0.00 0.00 178.15 177.65 2d85 h ASP 48 N 0.61 0.52 -1.03 1.72 1.82 -0.69 -2.34 116.42 117.03 2d85 h ASP 48 Ca 0.00 -0.35 0.37 0.00 -0.39 0.00 0.00 57.03 56.66 2d85 h ASP 48 Cb 1.19 -0.14 -0.16 0.00 0.68 0.00 0.00 39.33 40.90 2d85 h ASP 48 CO 0.13 0.75 0.58 0.00 -1.61 0.00 0.00 179.24 179.08 2d85 h ALA 49 N 0.79 2.11 0.00 -0.78 0.00 -0.73 -2.17 119.26 118.47 2d85 h ALA 49 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2d85 h ALA 49 Cb 0.51 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2d85 h ALA 49 CO 0.02 -0.81 -0.08 0.82 0.00 0.00 0.00 179.25 179.20 2d85 h ILE 50 N 0.16 0.00 -3.28 0.00 2.04 -1.61 -3.43 117.51 111.39 2d85 h ILE 50 Ca 0.79 -0.83 -0.74 0.00 1.00 0.00 0.00 64.86 65.08 2d85 h ILE 50 Cb 2.00 0.00 -0.27 0.00 -0.74 0.00 0.00 36.82 37.81 2d85 h ILE 50 CO -0.66 0.00 -0.29 -1.58 0.00 0.00 0.00 178.15 175.62 2d85 s GLN 51 N -1.57 2.76 0.07 2.37 0.74 -0.83 -5.06 119.66 118.14 2d85 s GLN 51 Ca -0.02 -1.84 -0.31 0.00 0.05 0.00 0.00 55.36 53.24 2d85 s GLN 51 Cb 0.00 -4.09 -0.07 0.00 1.10 0.00 0.00 33.01 29.95 2d85 s GLN 51 CO 0.04 -1.25 1.39 -1.25 -0.55 0.00 0.00 175.29 173.67 2d85 s PRO 52 N 1.29 4.31 0.00 1.67 0.04 -1.11 -3.19 135.00 138.01 2d85 s PRO 52 Ca 0.06 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2d85 s PRO 52 Cb -0.26 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2d85 s PRO 52 CO -0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2d85 n GLY 53 N 3.55 1.40 0.44 0.56 0.00 -1.26 -4.97 105.19 104.91 2d85 n GLY 53 Ca 0.12 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2d85 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d85 h SER 54 N 1.48 -1.22 -3.67 1.61 0.02 -1.91 -3.42 113.55 106.43 2d85 h SER 54 Ca 0.00 0.10 -0.50 0.00 -0.84 0.00 0.00 61.79 60.55 2d85 h SER 54 Cb 0.00 0.40 0.01 0.00 0.14 0.00 0.00 62.40 62.95 2d85 h SER 54 CO 0.00 -0.60 0.10 -0.63 -1.14 0.00 0.00 176.83 174.57 2d85 s ILE 55 N -5.50 4.81 -0.26 3.27 -1.09 -1.26 -5.08 121.20 116.09 2d85 s ILE 55 Ca -0.16 0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 58.81 2d85 s ILE 55 Cb 0.04 -3.74 0.13 0.00 -1.58 0.00 0.00 42.46 37.31 2d85 s ILE 55 CO 0.53 -0.54 0.35 0.21 -1.23 0.00 0.00 174.94 174.26 2d85 s ASN 56 N -3.23 0.72 0.33 3.58 2.47 -1.26 -5.02 114.94 112.52 2d85 s ASN 56 Ca 0.51 -0.17 0.10 0.00 0.42 0.00 0.00 52.86 53.72 2d85 s ASN 56 Cb -0.10 0.89 0.91 0.00 -1.45 0.00 0.00 41.25 41.50 2d85 s ASN 56 CO 0.32 -0.33 1.73 1.88 -3.72 0.00 0.00 177.10 176.98 2d85 h TYR 57 N 8.21 0.98 -0.99 0.43 -1.99 -1.98 0.14 116.97 121.77 2d85 h TYR 57 Ca -0.15 0.03 0.31 0.00 2.00 0.00 0.00 58.73 60.92 2d85 h TYR 57 Cb 1.13 -0.28 -0.15 0.00 2.00 0.00 0.00 36.73 39.43 2d85 h TYR 57 CO 0.19 0.07 0.53 0.22 -0.00 0.00 0.00 178.16 179.16 2d85 h ASP 58 N 0.56 0.45 0.44 3.88 3.58 -1.99 0.15 116.42 123.50 2d85 h ASP 58 Ca 0.64 0.19 -0.30 0.00 0.42 0.00 0.00 57.03 57.97 2d85 h ASP 58 Cb 1.26 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.43 2d85 h ASP 58 CO -0.46 -0.13 -1.67 -0.07 -2.88 0.00 0.00 179.24 174.04 2d85 h LEU 59 N 0.32 0.19-10.16 2.28 3.38 -1.20 -3.47 115.31 106.66 2d85 h LEU 59 Ca 0.71 -0.35 -0.54 0.00 0.09 0.00 0.00 57.88 57.78 2d85 h LEU 59 Cb 1.57 -0.06 0.16 0.00 0.09 0.00 0.00 40.66 42.42 2d85 h LEU 59 CO -0.61 1.31 0.42 -0.76 0.09 0.00 0.00 178.44 178.89 2d85 s LEU 60 N -6.58 3.38 -0.03 1.67 1.43 0.52 -5.00 118.68 114.07 2d85 s LEU 60 Ca -0.09 2.44 -0.01 0.00 -1.03 0.00 0.00 54.13 55.44 2d85 s LEU 60 Cb 0.08 -4.60 -0.00 0.00 0.03 0.00 0.00 46.19 41.69 2d85 s LEU 60 CO 0.82 -2.22 -0.01 0.11 0.23 0.00 0.00 176.35 175.27 2d85 h LYS 61 N -0.09 0.00 -4.21 1.70 1.79 -1.91 -3.47 116.57 110.38 2d85 h LYS 61 Ca -0.48 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.95 2d85 h LYS 61 Cb 1.31 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2d85 h LYS 61 CO 0.50 0.00 -0.04 -2.37 -1.08 0.00 0.00 179.45 176.46 2d85 n THR 62 N -2.90 -0.06 -3.72 -0.16 5.66 -1.26 -4.84 114.28 106.99 2d85 n THR 62 Ca -0.01 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 2d85 n THR 62 Cb 0.02 -0.23 -0.15 0.00 -1.55 0.00 0.00 70.33 68.42 2d85 n THR 62 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2d85 s GLU 63 N -4.39 0.68 -1.48 1.09 -1.05 -1.26 -4.87 118.70 107.42 2d85 s GLU 63 Ca 0.00 -1.01 -0.00 0.00 -0.15 0.00 0.00 54.97 53.81 2d85 s GLU 63 Cb 0.00 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 2d85 s GLU 63 CO 0.00 -0.97 0.21 0.09 0.95 0.00 0.00 175.26 175.54 2d85 n ASN 64 N 4.88 0.31 -3.92 0.83 3.02 -1.26 -4.89 115.26 114.24 2d85 n ASN 64 Ca -0.03 -1.14 -0.27 0.00 -0.03 0.00 0.00 54.58 53.11 2d85 n ASN 64 Cb 0.42 -2.31 0.19 0.00 -0.61 0.00 0.00 39.78 37.47 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 -4.49 -1.71 -3.83 3.41 4.77 -1.26 -5.04 117.00 108.86 2d85 n LEU 65 Ca -0.32 -0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 55.27 2d85 n LEU 65 Cb 0.69 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2d85 n LEU 65 CO 0.80 -3.37 0.56 0.54 -1.33 0.00 0.00 177.39 174.59 2d85 s ASN 66 N -2.09 -0.18 0.47 -1.43 2.20 -1.26 -4.86 114.94 107.78 2d85 s ASN 66 Ca 0.52 -0.65 0.40 0.00 -0.94 0.00 0.00 52.86 52.19 2d85 s ASN 66 Cb -0.11 0.68 1.52 0.00 -2.00 0.00 0.00 41.25 41.34 2d85 s ASN 66 CO 0.54 -1.27 1.46 0.47 -2.94 0.00 0.00 177.10 175.35 2d85 n ASP 67 N -0.65 0.09 -0.00 3.54 9.92 -1.26 0.91 116.55 129.09 2d85 n ASP 67 Ca -0.05 1.10 -0.00 0.00 -0.53 0.00 0.00 54.79 55.31 2d85 n ASP 67 Cb 0.60 -0.54 -0.00 0.00 -0.64 0.00 0.00 41.12 40.53 2d85 n ASP 67 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2d85 h ASP 68 N 0.00 0.00 -0.18 -2.24 5.19 -2.00 -3.30 116.42 113.88 2d85 h ASP 68 Ca 0.86 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 57.32 2d85 h ASP 68 Cb 3.14 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 42.59 2d85 h ASP 68 CO -0.20 0.04 -0.31 -0.33 -3.12 0.00 0.00 179.24 175.32 2d85 h GLU 69 N -0.07 -0.34 -1.00 3.56 4.39 -1.64 -1.84 114.58 117.63 2d85 h GLU 69 Ca 0.00 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.92 2d85 h GLU 69 Cb 0.01 0.08 -0.18 0.00 -0.10 0.00 0.00 28.75 28.55 2d85 h GLU 69 CO 0.00 -0.23 -0.27 1.63 -1.16 0.00 0.00 179.01 178.98 2d85 n LYS 70 N -5.40 -0.11 0.25 2.33 5.02 0.26 -0.62 118.16 119.88 2d85 n LYS 70 Ca -0.02 1.55 -0.17 0.00 -2.02 0.00 0.00 58.31 57.65 2d85 n LYS 70 Cb 0.32 -2.32 -0.09 0.00 -0.02 0.00 0.00 35.03 32.93 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 -1.19 -1.14 -0.35 5.85 -1.42 -0.76 115.31 116.30 2d85 h LEU 71 Ca 0.46 0.10 0.33 0.00 0.84 0.00 0.00 57.88 59.61 2d85 h LEU 71 Cb 0.71 0.40 -0.13 0.00 0.37 0.00 0.00 40.66 42.00 2d85 h LEU 71 CO -1.02 -0.58 0.64 0.78 -0.34 0.00 0.00 178.44 177.92 2d85 h ASN 72 N -0.86 0.46 -0.10 1.25 2.35 -0.61 0.70 115.58 118.77 2d85 h ASN 72 Ca -0.04 0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 2d85 h ASN 72 Cb 0.77 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 2d85 h ASN 72 CO -0.08 -0.10 -0.56 0.78 -1.65 0.00 0.00 177.43 175.83 2d85 h ASN 73 N 0.30 0.77 -0.56 5.81 4.21 -0.48 -3.17 115.58 122.46 2d85 h ASN 73 Ca 0.73 -0.42 0.01 0.00 1.21 0.00 0.00 56.30 57.82 2d85 h ASN 73 Cb 1.81 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 38.76 2d85 h ASN 73 CO -0.51 1.17 0.37 0.00 -1.29 0.00 0.00 177.43 177.17 2d85 h ALA 74 N 0.85 0.71 -0.91 -0.83 0.00 0.18 -1.40 119.26 117.87 2d85 h ALA 74 Ca 0.01 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2d85 h ALA 74 Cb 1.13 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2d85 h ALA 74 CO 0.11 0.15 0.56 0.87 0.00 0.00 0.00 179.25 180.95 2d85 h LYS 75 N 0.76 0.96 0.06 0.00 1.57 -1.29 -2.16 116.57 116.47 2d85 h LYS 75 Ca 0.21 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2d85 h LYS 75 Cb -0.08 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.01 2d85 h LYS 75 CO -0.04 0.64 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.52 2d85 h TYR 76 N 0.99 -0.07 -0.84 -1.35 3.20 -1.42 0.41 116.97 117.88 2d85 h TYR 76 Ca 0.41 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.48 2d85 h TYR 76 Cb 0.25 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 38.42 2d85 h TYR 76 CO -0.03 0.30 0.28 0.00 -1.64 0.00 0.00 178.16 177.07 2d85 h ALA 77 N 0.45 1.23 0.10 1.82 0.00 -0.90 0.27 119.26 122.23 2d85 h ALA 77 Ca -0.01 0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 2d85 h ALA 77 Cb 0.41 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2d85 h ALA 77 CO 0.01 -0.37 -1.34 0.82 0.00 0.00 0.00 179.25 178.38 2d85 h ILE 78 N 0.31 1.37 -0.88 0.00 2.04 -1.36 -3.19 117.51 115.80 2d85 h ILE 78 Ca 0.51 -2.99 -0.00 0.00 1.00 0.00 0.00 64.86 63.37 2d85 h ILE 78 Cb 0.95 2.84 -0.04 0.00 -0.74 0.00 0.00 36.82 39.83 2d85 h ILE 78 CO -0.55 0.86 0.55 -1.28 0.00 0.00 0.00 178.15 177.72 2d85 h SER 79 N 0.06 1.04 -0.50 1.72 0.87 0.17 -2.54 113.55 114.36 2d85 h SER 79 Ca -0.17 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.22 2d85 h SER 79 Cb 1.97 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 2d85 h SER 79 CO 0.17 0.78 -0.16 -0.03 -0.53 0.00 0.00 176.83 177.07 2d85 h MET 80 N 1.20 1.00 -0.08 2.24 1.85 -0.66 -2.59 114.93 117.89 2d85 h MET 80 Ca 0.32 -0.40 0.01 0.00 -0.61 0.00 0.00 59.70 59.02 2d85 h MET 80 Cb -0.08 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 31.87 2d85 h MET 80 CO -0.06 1.08 -0.22 0.00 -0.40 0.00 0.00 176.91 177.31 2d85 h ALA 81 N 0.89 -0.59 -0.14 0.39 0.00 -1.44 0.55 119.26 118.92 2d85 h ALA 81 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2d85 h ALA 81 Cb 0.73 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2d85 h ALA 81 CO 0.06 -0.67 0.10 0.07 0.00 0.00 0.00 179.25 178.80 2d85 h ARG 82 N -0.22 0.02 0.65 0.00 0.11 -0.05 0.97 114.38 115.86 2d85 h ARG 82 Ca 0.02 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.06 2d85 h ARG 82 Cb 0.26 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.35 2d85 h ARG 82 CO -0.19 0.01 -0.31 -0.22 0.10 0.00 0.00 179.97 179.36 2d85 h LYS 83 N 0.02 -0.84 0.00 0.08 1.63 -0.69 -2.87 116.57 113.89 2d85 h LYS 83 Ca 0.06 0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.84 2d85 h LYS 83 Cb 0.24 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2d85 h LYS 83 CO -0.00 -0.56 -0.42 -0.84 -3.45 0.00 0.00 179.45 174.18 2d85 h ILE 84 N -0.88 1.25 0.00 2.00 3.07 -0.61 -3.45 117.51 118.89 2d85 h ILE 84 Ca -0.09 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 64.87 2d85 h ILE 84 Cb 0.67 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2d85 h ILE 84 CO 0.15 0.41 0.00 0.61 -1.05 0.00 0.00 178.15 178.26 2d85 n GLY 85 N -0.26 0.20 2.66 0.16 0.00 -0.32 -5.12 105.19 102.51 2d85 n GLY 85 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.27 1.36 -0.38 4.61 0.00 0.32 -4.90 121.76 122.50 2d85 s ALA 86 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 51.96 49.97 2d85 s ALA 86 Cb 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.53 2d85 s ALA 86 CO 0.00 -1.78 1.04 1.03 0.00 0.00 0.00 175.76 176.05 2d85 s ARG 87 N 1.46 3.89 0.03 0.00 1.81 -1.26 0.31 118.95 125.19 2d85 s ARG 87 Ca 0.12 0.76 0.07 0.00 -1.72 0.00 0.00 55.73 54.95 2d85 s ARG 87 Cb -0.19 -3.81 -0.02 0.00 -0.45 0.00 0.00 34.95 30.48 2d85 s ARG 87 CO -0.21 -1.04 -0.20 0.14 -0.68 0.00 0.00 175.30 173.31 2d85 s VAL 88 N 3.79 1.59 -0.13 3.52 -7.23 -1.26 -4.95 120.40 115.72 2d85 s VAL 88 Ca 0.43 -1.08 0.18 0.00 -1.81 0.00 0.00 61.98 59.70 2d85 s VAL 88 Cb -0.11 -1.37 -0.14 0.00 0.56 0.00 0.00 36.38 35.32 2d85 s VAL 88 CO 0.21 0.26 0.78 -1.22 -0.31 0.00 0.00 175.10 174.82 2d85 n TYR 89 N 2.07 0.88 -0.93 2.82 4.02 -1.26 -4.97 117.16 119.78 2d85 n TYR 89 Ca -0.17 0.29 -0.30 0.00 -0.01 0.00 0.00 57.90 57.71 2d85 n TYR 89 Cb 0.53 -1.04 0.01 0.00 -0.02 0.00 0.00 39.34 38.83 2d85 n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d85 n ALA 90 N -2.39 -3.37 -2.80 -0.72 0.00 -1.26 -4.93 120.51 105.04 2d85 n ALA 90 Ca -0.10 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.82 2d85 n ALA 90 Cb 0.82 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 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 4.65 3.35 0.00 0.00 2.96 -1.26 -4.99 118.68 123.39 2d85 s LEU 91 Ca 0.41 -0.03 0.15 0.00 -0.22 0.00 0.00 54.13 54.44 2d85 s LEU 91 Cb -0.32 -1.78 0.70 0.00 0.50 0.00 0.00 46.19 45.29 2d85 s LEU 91 CO 0.56 0.26 1.42 -0.81 -1.32 0.00 0.00 176.35 176.46 2d85 n PRO 92 N 2.92 0.15 0.04 0.98 -0.04 -1.26 -2.23 135.00 135.56 2d85 n PRO 92 Ca -0.18 0.18 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2d85 n PRO 92 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2d85 n PRO 92 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2d85 h GLU 93 N 0.00 0.00 0.06 0.54 4.39 -1.94 -3.35 114.58 114.28 2d85 h GLU 93 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2d85 h GLU 93 Cb 0.17 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2d85 h GLU 93 CO 0.00 0.51 -2.07 -0.25 -1.16 0.00 0.00 179.01 176.04 2d85 n ASP 94 N -3.08 1.64 -0.25 1.42 8.00 -0.98 -4.17 116.55 119.13 2d85 n ASP 94 Ca -0.08 0.17 0.24 0.00 0.71 0.00 0.00 54.79 55.83 2d85 n ASP 94 Cb 0.89 -0.44 0.58 0.00 -0.02 0.00 0.00 41.12 42.14 2d85 n ASP 94 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d85 h LEU 95 N 0.04 0.28 -1.14 0.64 5.85 -1.61 0.14 115.31 119.51 2d85 h LEU 95 Ca -0.44 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.45 2d85 h LEU 95 Cb 2.02 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.96 2d85 h LEU 95 CO 0.05 0.09 0.60 0.58 -0.34 0.00 0.00 178.44 179.42 2d85 h VAL 96 N 0.27 0.87 -0.75 1.05 2.07 -1.73 0.42 116.25 118.45 2d85 h VAL 96 Ca 0.49 -0.29 -0.43 0.00 0.82 0.00 0.00 66.70 67.29 2d85 h VAL 96 Cb 1.47 -0.05 -0.23 0.00 -1.52 0.00 0.00 31.29 30.96 2d85 h VAL 96 CO -0.15 0.15 0.55 -0.62 0.02 0.00 0.00 177.57 177.53 2d85 n GLU 97 N -4.60 2.05 -3.87 1.57 1.02 0.47 -4.57 120.64 112.71 2d85 n GLU 97 Ca 0.18 -2.33 -0.24 0.00 -0.02 0.00 0.00 57.16 54.75 2d85 n GLU 97 Cb 0.42 -1.91 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 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 -0.58 -0.68 -2.49 2.62 0.31 0.14 -4.79 118.33 112.85 2d85 n VAL 98 Ca 0.46 -0.34 -0.43 0.00 -0.01 0.00 0.00 64.34 64.02 2d85 n VAL 98 Cb 1.11 -0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 33.30 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 -3.91 6.59 0.00 4.52 0.01 -1.20 -4.87 114.94 116.07 2d85 s ASN 99 Ca 0.07 0.80 0.15 0.00 -0.71 0.00 0.00 52.86 53.17 2d85 s ASN 99 Cb -0.04 -2.54 0.88 0.00 0.41 0.00 0.00 41.25 39.96 2d85 s ASN 99 CO 0.76 -1.22 1.30 -0.81 -1.51 0.00 0.00 177.10 175.62 2d85 n PRO 100 N 7.68 0.49 0.08 -0.60 -0.04 -1.26 -2.58 135.00 138.77 2d85 n PRO 100 Ca 0.14 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2d85 n PRO 100 Cb 0.48 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.00 0.00 0.54 6.56 -1.99 -3.33 116.57 118.35 2d85 h LYS 101 Ca 0.00 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.29 2d85 h LYS 101 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.61 2d85 h LYS 101 CO 0.00 0.91 -2.15 -1.33 -2.06 0.00 0.00 179.45 174.82 2d85 n MET 102 N -3.42 0.50 0.19 3.15 2.81 -1.06 -4.42 117.12 114.88 2d85 n MET 102 Ca -0.00 0.12 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2d85 n MET 102 Cb 0.87 -1.40 0.49 0.00 -0.71 0.00 0.00 33.22 32.47 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 -0.04 0.07 -1.08 2.03 2.07 -1.67 -0.82 116.25 116.81 2d85 h VAL 103 Ca -0.45 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.42 2d85 h VAL 103 Cb 1.69 0.34 -0.14 0.00 -1.52 0.00 0.00 31.29 31.65 2d85 h VAL 103 CO -0.08 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.15 2d85 h MET 104 N 0.00 0.24 0.03 1.57 -0.00 -1.77 -1.31 114.93 113.69 2d85 h MET 104 Ca 0.12 -0.01 -0.38 0.00 -0.00 0.00 0.00 59.70 59.43 2d85 h MET 104 Cb 1.55 -0.05 -0.06 0.00 -0.00 0.00 0.00 31.60 33.04 2d85 h MET 104 CO -0.00 0.16 -2.33 -2.37 -0.00 0.00 0.00 176.91 172.36 2d85 n THR 105 N -4.94 1.57 -0.34 -0.10 5.66 -0.31 -3.46 114.28 112.35 2d85 n THR 105 Ca 0.33 -0.61 0.01 0.00 -3.05 0.00 0.00 64.05 60.73 2d85 n THR 105 Cb 1.11 -1.45 0.06 0.00 -1.55 0.00 0.00 70.33 68.49 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 -3.29 -0.45 -0.07 1.08 0.31 -0.53 -0.70 118.33 114.67 2d85 n VAL 106 Ca -0.41 2.10 -0.12 0.00 -0.01 0.00 0.00 64.34 65.89 2d85 n VAL 106 Cb 1.01 -2.80 -0.09 0.00 -0.91 0.00 0.00 33.84 31.05 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 0.00 -0.63 3.52 0.04 -1.68 -3.36 116.94 114.83 2d85 h PHE 107 Ca 0.34 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.17 2d85 h PHE 107 Cb 0.57 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.64 2d85 h PHE 107 CO -0.77 0.84 -0.37 0.00 -0.60 0.00 0.00 178.31 177.41 2d85 n ALA 108 N -2.91 -0.41 -0.33 2.45 0.00 -0.82 0.13 120.51 118.63 2d85 n ALA 108 Ca -0.13 0.54 0.25 0.00 0.00 0.00 0.00 53.44 54.11 2d85 n ALA 108 Cb 0.42 0.02 0.49 0.00 0.00 0.00 0.00 19.45 20.38 2d85 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d85 h LEU 110 N 0.20 0.41 -1.60 0.00 3.38 0.99 -3.18 115.31 115.50 2d85 h LEU 110 Ca 0.76 -0.65 0.41 0.00 0.09 0.00 0.00 57.88 58.49 2d85 h LEU 110 Cb 1.81 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 42.34 2d85 h LEU 110 CO -0.68 0.99 0.92 0.24 0.09 0.00 0.00 178.44 180.00 2d85 h MET 111 N -0.15 0.11 -1.74 1.13 2.86 0.28 0.13 114.93 117.54 2d85 h MET 111 Ca -0.02 -0.01 0.50 0.00 -2.06 0.00 0.00 59.70 58.12 2d85 h MET 111 Cb 0.99 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.55 2d85 h MET 111 CO 0.07 0.07 1.32 0.78 1.06 0.00 0.00 176.91 180.21 2d85 h GLY 112 N 0.11 0.00 1.39 8.32 0.00 -1.44 1.56 103.07 113.02 2d85 h GLY 112 Ca 0.76 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.85 2d85 h GLY 112 CO -0.26 0.00 -0.92 0.50 0.00 0.00 0.00 176.54 175.86 2d85 h LYS 113 N 0.00 0.56 0.00 4.80 6.56 -0.99 -1.49 116.57 126.01 2d85 h LYS 113 Ca 0.83 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 2d85 h LYS 113 Cb 3.46 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 35.27 2d85 h LYS 113 CO -0.01 1.18 0.00 0.41 -2.06 0.00 0.00 179.45 178.97 2d85 n GLY 114 N 0.90 -2.91 0.12 3.86 0.00 0.53 -3.69 105.19 104.01 2d85 n GLY 114 Ca -0.08 0.56 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 2d85 n GLY 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d85 n MET 115 N -2.55 0.63 -2.83 1.61 2.81 -1.25 -5.03 117.12 110.51 2d85 n MET 115 Ca 0.00 0.40 -0.11 0.00 -1.81 0.00 0.00 57.70 56.18 2d85 n MET 115 Cb 0.00 -1.67 0.05 0.00 -0.71 0.00 0.00 33.22 30.89 2d85 n MET 115 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2d85 n LYS 116 N -4.04 -3.26 0.00 0.03 4.81 -0.56 -4.89 118.16 110.25 2d85 n LYS 116 Ca -0.38 0.56 0.07 0.00 -0.87 0.00 0.00 58.31 57.70 2d85 n LYS 116 Cb 0.85 -4.57 0.42 0.00 0.02 0.00 0.00 35.03 31.74 2d85 n LYS 116 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2d85 n ARG 117 N -2.89 0.71 -0.74 1.64 1.74 -1.26 -4.84 116.66 111.01 2d85 n ARG 117 Ca -0.14 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.64 2d85 n ARG 117 Cb 0.60 -1.31 0.17 0.00 -1.02 0.00 0.00 32.46 30.90 2d85 n ARG 117 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d85 s VAL 118 N -2.00 2.18 -0.31 1.55 -7.23 -1.26 -4.87 120.40 108.47 2d85 s VAL 118 Ca 0.21 0.06 -0.28 0.00 -1.81 0.00 0.00 61.98 60.16 2d85 s VAL 118 Cb 0.10 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 2d85 s VAL 118 CO 0.16 -0.08 1.86 -0.55 -0.31 0.00 0.00 175.10 176.18 2d85 s SER 119 N -2.73 5.84 0.06 4.85 0.15 -1.26 -4.97 113.70 115.64 2d85 s SER 119 Ca 0.66 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.72 2d85 s SER 119 Cb -0.22 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2d85 s SER 119 CO 0.59 -1.73 0.00 0.61 1.20 0.00 0.00 173.24 173.90 2d85 n GLY 120 N 5.46 1.18 0.17 9.45 0.00 -1.26 -5.00 105.19 115.19 2d85 n GLY 120 Ca 0.24 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 -5.56 1.61 0.13 -2.03 -3.43 132.00 122.71 2d85 h PRO 121 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2d85 h PRO 121 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2d85 h PRO 121 CO 0.00 0.47 1.58 0.45 -0.23 0.00 0.00 178.00 180.28 2d85 n SER 122 N -3.93 1.48 -4.97 1.44 2.88 -1.26 -4.91 113.62 104.36 2d85 n SER 122 Ca -0.01 0.10 -0.22 0.00 -1.33 0.00 0.00 58.87 57.41 2d85 n SER 122 Cb 0.50 -1.21 0.01 0.00 -0.75 0.00 0.00 64.21 62.75 2d85 n SER 122 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d85 s SER 123 N 9.12 5.89 0.00 -3.46 0.15 -1.26 -5.14 113.70 119.00 2d85 s SER 123 Ca 1.16 0.12 0.28 0.00 0.70 0.00 0.00 55.95 58.21 2d85 s SER 123 Cb -0.85 -1.44 1.13 0.00 -1.71 0.00 0.00 66.02 63.15 2d85 s SER 123 CO 0.44 -0.59 1.79 0.61 1.20 0.00 0.00 173.24 176.69