#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu s SER 2 N 0.00 0.06 -0.20 1.61 0.15 -1.26 -5.14 113.70 108.92 2diu s SER 2 Ca 0.00 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.66 2diu s SER 2 Cb 0.00 -0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2diu s SER 2 CO 0.00 -0.11 -0.10 -0.55 1.20 0.00 0.00 173.24 173.68 2diu s SER 3 N 0.92 3.93 0.00 5.45 0.15 -1.26 -4.93 113.70 117.97 2diu s SER 3 Ca -0.08 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2diu s SER 3 Cb -0.11 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2diu s SER 3 CO -0.03 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2diu n GLY 4 N 4.64 -1.55 4.28 9.45 0.00 -1.26 -4.97 105.19 115.77 2diu n GLY 4 Ca -0.19 0.96 -0.35 0.00 0.00 0.00 0.00 46.02 46.44 2diu n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2diu n SER 5 N 0.00 -0.58 -0.01 1.61 2.88 -1.26 -4.80 113.62 111.46 2diu n SER 5 Ca 0.00 -1.18 -0.10 0.00 -1.33 0.00 0.00 58.87 56.26 2diu n SER 5 Cb 0.00 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 61.93 2diu n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2diu h SER 6 N -1.15 -0.01 -4.00 -3.46 4.64 -1.93 -3.48 113.55 104.15 2diu h SER 6 Ca -0.58 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2diu h SER 6 Cb 1.30 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2diu h SER 6 CO 0.76 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 2diu n GLY 7 N -1.14 3.38 3.62 -0.77 0.00 -1.26 -5.08 105.19 103.94 2diu n GLY 7 Ca -0.04 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 2diu n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu s HIS 9 N 2.03 2.83 -0.22 0.00 0.09 -1.26 -4.49 115.29 114.28 2diu s HIS 9 Ca 0.18 -0.20 0.00 0.00 -0.00 0.00 0.00 55.06 55.04 2diu s HIS 9 Cb -0.16 -1.30 0.06 0.00 -0.00 0.00 0.00 32.58 31.18 2diu s HIS 9 CO 0.09 0.57 -0.05 0.99 -0.00 0.00 0.00 174.74 176.34 2diu s THR 10 N -2.27 1.37 0.04 1.30 2.01 -0.24 -4.91 115.64 112.93 2diu s THR 10 Ca 0.32 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 2diu s THR 10 Cb -0.07 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 2diu s THR 10 CO 0.22 -0.05 0.31 -0.76 -0.69 0.00 0.00 174.62 173.65 2diu s LEU 11 N 1.48 4.36 0.04 4.42 1.43 -1.26 -0.06 118.68 129.09 2diu s LEU 11 Ca -0.04 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 2diu s LEU 11 Cb -0.18 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2diu s LEU 11 CO -0.07 0.22 -0.05 -0.76 0.23 0.00 0.00 176.35 175.91 2diu s LEU 12 N -1.87 3.23 -0.32 1.79 1.43 -0.41 -4.79 118.68 117.74 2diu s LEU 12 Ca 0.30 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2diu s LEU 12 Cb -0.13 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.23 2diu s LEU 12 CO 0.17 0.24 0.05 -0.31 0.23 0.00 0.00 176.35 176.73 2diu s TYR 13 N -1.11 3.29 0.08 0.29 2.02 0.12 -1.09 117.35 120.94 2diu s TYR 13 Ca 0.20 -1.81 -0.09 0.00 -0.37 0.00 0.00 57.07 54.99 2diu s TYR 13 Cb -0.11 -2.26 -0.06 0.00 -0.40 0.00 0.00 41.96 39.13 2diu s TYR 13 CO 0.11 -0.80 0.38 0.08 -1.57 0.00 0.00 175.55 173.75 2diu s VAL 14 N 1.28 5.12 0.29 0.71 1.01 0.85 -0.10 120.40 129.57 2diu s VAL 14 Ca -0.03 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2diu s VAL 14 Cb -0.20 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2diu s VAL 14 CO -0.00 0.28 0.24 -0.31 0.00 0.00 0.00 175.10 175.31 2diu s TYR 15 N -1.41 1.53 -1.44 5.22 1.51 0.30 -0.77 117.35 122.30 2diu s TYR 15 Ca 0.33 -1.55 -0.07 0.00 -1.01 0.00 0.00 57.07 54.76 2diu s TYR 15 Cb -0.14 -0.63 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 2diu s TYR 15 CO 0.18 -0.81 0.98 0.09 -1.11 0.00 0.00 175.55 174.88 2diu n ASN 16 N -1.13 -6.32 -4.82 2.29 4.13 -0.78 -0.71 115.26 107.92 2diu n ASN 16 Ca 0.05 -0.45 -0.33 0.00 1.68 0.00 0.00 54.58 55.53 2diu n ASN 16 Cb 0.63 -5.02 -0.06 0.00 -1.54 0.00 0.00 39.78 33.80 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2diu s LEU 17 N -7.09 3.89 -0.89 3.41 1.43 -0.36 -4.30 118.68 114.77 2diu s LEU 17 Ca 0.49 1.74 -0.25 0.00 -1.03 0.00 0.00 54.13 55.08 2diu s LEU 17 Cb -0.21 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.42 2diu s LEU 17 CO 0.60 -0.48 1.94 -2.16 0.23 0.00 0.00 176.35 176.48 2diu s PRO 18 N -3.26 2.56 0.15 1.29 0.04 -1.26 -4.76 135.00 129.76 2diu s PRO 18 Ca 0.63 -0.26 -0.18 0.00 0.04 0.00 0.00 61.00 61.23 2diu s PRO 18 Cb -0.11 -5.04 0.05 0.00 0.04 0.00 0.00 34.50 29.44 2diu s PRO 18 CO 0.16 -3.36 1.70 0.00 0.04 0.00 0.00 177.00 175.54 2diu h ALA 19 N 11.40 0.27 -0.61 8.56 0.00 -1.92 -2.28 119.26 134.68 2diu h ALA 19 Ca 0.09 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.22 2diu h ALA 19 Cb 1.01 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 2diu h ALA 19 CO 1.21 -0.42 -0.09 -0.91 0.00 0.00 0.00 179.25 179.04 2diu h ASN 20 N 0.07 -0.45 -2.15 0.00 2.35 -2.01 -3.38 115.58 110.01 2diu h ASN 20 Ca 0.15 0.17 -0.58 0.00 -0.55 0.00 0.00 56.30 55.49 2diu h ASN 20 Cb 0.21 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2diu h ASN 20 CO -0.28 -0.17 1.45 -0.54 -1.65 0.00 0.00 177.43 176.24 2diu s LYS 21 N -6.19 3.14 -0.22 0.81 -0.14 -0.86 -4.84 119.74 111.44 2diu s LYS 21 Ca -0.14 1.85 -0.35 0.00 -1.36 0.00 0.00 55.97 55.98 2diu s LYS 21 Cb 0.19 -4.34 -0.16 0.00 -1.68 0.00 0.00 37.83 31.84 2diu s LYS 21 CO 0.73 -2.09 1.09 -3.47 -0.76 0.00 0.00 175.35 170.85 2diu n ASP 22 N 11.51 0.54 -0.28 2.83 -0.08 -1.26 -4.52 116.55 125.28 2diu n ASP 22 Ca 0.28 0.93 -0.02 0.00 -1.51 0.00 0.00 54.79 54.48 2diu n ASP 22 Cb 0.46 -0.71 0.04 0.00 2.34 0.00 0.00 41.12 43.25 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2diu h GLY 23 N 3.27 0.11 -0.89 0.27 0.00 -1.88 0.84 103.07 104.79 2diu h GLY 23 Ca -0.37 0.43 0.21 0.00 0.00 0.00 0.00 47.33 47.60 2diu h GLY 23 CO 0.66 -0.23 -0.09 0.28 0.00 0.00 0.00 176.54 177.16 2diu n LYS 24 N -5.47 -0.08 -0.02 4.80 4.76 -1.26 0.16 118.16 121.05 2diu n LYS 24 Ca 0.08 1.36 -0.13 0.00 -2.87 0.00 0.00 58.31 56.74 2diu n LYS 24 Cb 0.38 -2.09 -0.10 0.00 -1.84 0.00 0.00 35.03 31.38 2diu n LYS 24 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2diu h SER 25 N 0.00 0.05 -0.30 4.39 4.64 -1.18 -3.29 113.55 117.86 2diu h SER 25 Ca 0.49 -0.51 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2diu h SER 25 Cb 0.89 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 2diu h SER 25 CO -0.87 0.55 -0.29 0.58 -0.87 0.00 0.00 176.83 175.92 2diu h VAL 26 N -0.45 0.00 -0.05 0.95 2.07 0.41 -2.61 116.25 116.56 2diu h VAL 26 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2diu h VAL 26 Cb 0.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2diu h VAL 26 CO 0.01 0.00 -0.03 -1.54 0.02 0.00 0.00 177.57 176.03 2diu n SER 27 N -4.11 -0.05 -0.29 0.57 3.41 -0.49 -0.89 113.62 111.77 2diu n SER 27 Ca -0.01 0.91 -0.07 0.00 -0.26 0.00 0.00 58.87 59.44 2diu n SER 27 Cb 0.16 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 2diu n SER 27 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2diu n ASN 28 N -3.00 -0.71 -0.30 4.04 5.15 -1.02 0.19 115.26 119.60 2diu n ASN 28 Ca 0.00 1.26 0.14 0.00 -0.60 0.00 0.00 54.58 55.38 2diu n ASN 28 Cb 0.01 -0.18 0.31 0.00 -0.53 0.00 0.00 39.78 39.40 2diu n ASN 28 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2diu h ARG 29 N 0.00 0.24 -0.02 1.20 9.65 -0.66 -0.47 114.38 124.32 2diu h ARG 29 Ca 0.13 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2diu h ARG 29 Cb 0.31 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2diu h ARG 29 CO -0.67 0.16 -0.06 -0.07 2.80 0.00 0.00 179.97 182.13 2diu h LEU 30 N 0.24 0.09 -0.89 3.80 4.07 0.27 -3.27 115.31 119.63 2diu h LEU 30 Ca 0.57 -0.61 0.21 0.00 0.08 0.00 0.00 57.88 58.14 2diu h LEU 30 Cb 1.17 -0.03 -0.17 0.00 1.08 0.00 0.00 40.66 42.72 2diu h LEU 30 CO -0.63 0.68 -0.09 0.54 -1.08 0.00 0.00 178.44 177.86 2diu n ARG 31 N -4.72 -0.07 0.02 1.13 1.74 0.84 0.79 116.66 116.39 2diu n ARG 31 Ca -0.09 1.36 -0.11 0.00 -0.77 0.00 0.00 57.85 58.24 2diu n ARG 31 Cb 0.34 -2.09 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 2diu n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ARG 32 N 0.00 -0.02 0.00 5.56 2.47 -1.51 0.49 114.38 121.37 2diu h ARG 32 Ca 0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 2diu h ARG 32 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2diu h ARG 32 CO -0.87 -0.01 0.00 -0.07 0.56 0.00 0.00 179.97 179.57 2diu h LEU 33 N -0.02 0.00 0.07 3.04 3.38 0.33 -2.18 115.31 119.93 2diu h LEU 33 Ca 0.03 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.65 2diu h LEU 33 Cb 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2diu h LEU 33 CO -0.06 0.00 -1.98 -1.54 0.09 0.00 0.00 178.44 174.95 2diu n SER 34 N -2.92 1.60 -0.14 -0.43 3.41 0.12 -3.29 113.62 111.97 2diu n SER 34 Ca -0.02 0.23 -0.08 0.00 -0.26 0.00 0.00 58.87 58.74 2diu n SER 34 Cb 0.13 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2diu n SER 34 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2diu h ASP 35 N 0.04 0.50 0.05 4.04 3.58 0.54 1.85 116.42 127.03 2diu h ASP 35 Ca -0.40 -0.07 -0.15 0.00 0.42 0.00 0.00 57.03 56.82 2diu h ASP 35 Cb 2.03 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 2diu h ASP 35 CO 0.07 0.43 -0.52 -1.13 -2.88 0.00 0.00 179.24 175.20 2diu h ASN 36 N 0.54 0.56 -0.68 2.28 -1.24 -1.64 -2.99 115.58 112.42 2diu h ASN 36 Ca 0.15 -0.29 -0.37 0.00 0.71 0.00 0.00 56.30 56.50 2diu h ASN 36 Cb 0.02 -0.16 -0.21 0.00 0.73 0.00 0.00 38.32 38.70 2diu h ASN 36 CO -0.03 0.98 0.47 0.00 -1.29 0.00 0.00 177.43 177.56 2diu n GLY 38 N -0.55 -1.14 3.75 0.00 0.00 -0.62 -4.49 105.19 102.15 2diu n GLY 38 Ca 0.41 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 47.02 2diu n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2diu s GLY 39 N -2.82 0.18 -0.17 -0.02 0.00 0.62 -4.15 107.32 100.96 2diu s GLY 39 Ca 0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 44.72 44.17 2diu s GLY 39 CO 0.88 -0.31 0.32 1.25 0.00 0.00 0.00 173.10 175.23 2diu s LYS 40 N -3.89 0.23 -0.54 2.90 2.20 -0.49 -3.66 119.74 116.49 2diu s LYS 40 Ca 0.16 0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 56.24 2diu s LYS 40 Cb -0.04 -0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.07 2diu s LYS 40 CO 0.08 -0.37 2.42 1.55 -0.36 0.00 0.00 175.35 178.67 2diu n VAL 41 N 5.36 -0.08 0.15 4.02 3.14 -1.26 -1.11 118.33 128.55 2diu n VAL 41 Ca -0.06 -0.76 -0.13 0.00 -2.96 0.00 0.00 64.34 60.42 2diu n VAL 41 Cb 0.50 -2.69 -0.06 0.00 -1.06 0.00 0.00 33.84 30.52 2diu n VAL 41 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2diu h LEU 42 N 20.11 -0.57 -8.05 6.55 3.38 -1.08 -3.47 115.31 132.18 2diu h LEU 42 Ca -0.20 0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2diu h LEU 42 Cb 1.23 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 2diu h LEU 42 CO 1.14 -0.31 0.16 -0.44 0.09 0.00 0.00 178.44 179.08 2diu s SER 43 N -4.82 -0.23 -0.23 -0.43 0.01 -1.10 -5.03 113.70 101.87 2diu s SER 43 Ca -0.15 -0.68 -0.03 0.00 1.31 0.00 0.00 55.95 56.40 2diu s SER 43 Cb 0.07 0.70 0.08 0.00 0.21 0.00 0.00 66.02 67.08 2diu s SER 43 CO 0.65 -1.31 0.09 -0.63 0.41 0.00 0.00 173.24 172.44 2diu s ILE 44 N -3.93 0.23 -0.19 1.44 1.01 -1.26 -1.44 121.20 117.06 2diu s ILE 44 Ca 0.13 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 2diu s ILE 44 Cb -0.05 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2diu s ILE 44 CO 0.07 -0.44 0.05 0.42 0.00 0.00 0.00 174.94 175.04 2diu s THR 45 N 1.97 4.58 0.00 2.92 -4.23 -0.30 -4.96 115.64 115.62 2diu s THR 45 Ca 0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2diu s THR 45 Cb -0.16 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2diu s THR 45 CO -0.19 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 2diu n GLY 46 N 3.71 2.56 1.31 3.99 0.00 -1.26 0.06 105.19 115.56 2diu n GLY 46 Ca -0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 2diu n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu s SER 48 N -0.23 1.44 0.08 0.00 1.04 0.11 -1.22 113.70 114.92 2diu s SER 48 Ca 0.25 -1.23 -0.14 0.00 0.48 0.00 0.00 55.95 55.31 2diu s SER 48 Cb 0.20 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2diu s SER 48 CO 0.06 -0.58 0.33 0.00 0.98 0.00 0.00 173.24 174.04 2diu s ALA 49 N -3.59 -0.74 -0.17 5.32 0.00 0.05 -1.15 121.76 121.48 2diu s ALA 49 Ca 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 2diu s ALA 49 Cb 0.06 0.47 0.04 0.00 0.00 0.00 0.00 23.12 23.70 2diu s ALA 49 CO 0.07 -0.51 -0.06 0.42 0.00 0.00 0.00 175.76 175.68 2diu s ILE 50 N -3.17 1.19 0.28 0.00 1.01 -0.52 -0.10 121.20 119.88 2diu s ILE 50 Ca -0.01 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2diu s ILE 50 Cb 0.01 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 2diu s ILE 50 CO -0.07 0.15 0.38 -0.76 0.00 0.00 0.00 174.94 174.63 2diu s LEU 51 N 1.60 4.14 -0.12 2.97 1.02 -0.25 -0.48 118.68 127.56 2diu s LEU 51 Ca 0.01 -0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.11 2diu s LEU 51 Cb -0.15 -2.75 0.02 0.00 0.02 0.00 0.00 46.19 43.32 2diu s LEU 51 CO -0.08 -0.19 -0.16 -0.60 0.02 0.00 0.00 176.35 175.34 2diu s ARG 52 N -4.03 2.36 0.22 1.70 3.52 -0.26 -1.28 118.95 121.17 2diu s ARG 52 Ca 0.38 -0.61 0.11 0.00 -0.13 0.00 0.00 55.73 55.49 2diu s ARG 52 Cb -0.09 -2.01 -0.05 0.00 -1.56 0.00 0.00 34.95 31.24 2diu s ARG 52 CO 0.29 -0.09 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.42 2diu s PHE 53 N 1.06 2.33 0.09 5.12 0.40 0.91 -1.40 117.98 126.49 2diu s PHE 53 Ca -0.04 -0.34 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 2diu s PHE 53 Cb -0.15 -1.11 -0.07 0.00 0.51 0.00 0.00 43.02 42.20 2diu s PHE 53 CO -0.03 0.57 1.53 0.97 0.70 0.00 0.00 175.22 178.95 2diu h ILE 54 N 2.87 1.26 -3.87 0.64 2.10 -1.82 -0.61 117.51 118.07 2diu h ILE 54 Ca -0.44 -0.94 -0.10 0.00 1.08 0.00 0.00 64.86 64.46 2diu h ILE 54 Cb 1.22 1.33 -0.13 0.00 -1.09 0.00 0.00 36.82 38.15 2diu h ILE 54 CO 0.52 0.30 -0.37 0.20 -1.08 0.00 0.00 178.15 177.73 2diu s ASN 55 N -6.00 0.10 0.21 2.19 0.01 -1.26 -4.13 114.94 106.05 2diu s ASN 55 Ca -0.13 -0.76 -0.18 0.00 -0.71 0.00 0.00 52.86 51.07 2diu s ASN 55 Cb 0.08 0.37 0.19 0.00 0.41 0.00 0.00 41.25 42.30 2diu s ASN 55 CO 0.76 -0.79 1.58 -0.61 -1.51 0.00 0.00 177.10 176.52 2diu h GLN 56 N 2.68 -0.09 -0.18 -0.60 4.15 -1.90 -1.41 115.11 117.76 2diu h GLN 56 Ca -0.33 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.11 2diu h GLN 56 Cb 1.21 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 2diu h GLN 56 CO 0.53 -0.06 -0.13 0.22 -1.93 0.00 0.00 178.83 177.47 2diu h ASP 57 N -0.09 -0.45 -0.99 -0.69 3.58 -1.99 0.90 116.42 116.68 2diu h ASP 57 Ca 0.29 0.07 0.25 0.00 0.42 0.00 0.00 57.03 58.05 2diu h ASP 57 Cb 0.57 0.19 -0.08 0.00 1.72 0.00 0.00 39.33 41.74 2diu h ASP 57 CO -0.79 -0.06 0.66 0.28 -2.88 0.00 0.00 179.24 176.45 2diu h SER 58 N -0.03 0.36 0.66 2.28 0.02 -1.69 0.56 113.55 115.72 2diu h SER 58 Ca 0.03 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 2diu h SER 58 Cb 0.10 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2diu h SER 58 CO -0.18 0.10 -0.61 0.00 -1.14 0.00 0.00 176.83 175.00 2diu h ALA 59 N 1.59 0.95 0.14 3.77 0.00 0.79 -3.30 119.26 123.21 2diu h ALA 59 Ca 0.53 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2diu h ALA 59 Cb 1.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2diu h ALA 59 CO -0.21 0.76 -0.07 0.93 0.00 0.00 0.00 179.25 180.67 2diu h GLU 60 N 0.00 -0.18 -1.18 0.00 5.08 0.61 -0.38 114.58 118.52 2diu h GLU 60 Ca -0.01 0.01 0.38 0.00 -1.00 0.00 0.00 59.36 58.75 2diu h GLU 60 Cb 1.10 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2diu h GLU 60 CO 0.08 -0.12 0.80 0.54 -1.00 0.00 0.00 179.01 179.31 2diu n ARG 61 N -2.70 -0.02 0.05 2.33 1.74 -0.98 0.23 116.66 117.31 2diu n ARG 61 Ca -0.02 0.90 -0.21 0.00 -0.77 0.00 0.00 57.85 57.75 2diu n ARG 61 Cb 0.07 -1.87 -0.14 0.00 -1.02 0.00 0.00 32.46 29.50 2diu n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ALA 62 N 1.05 0.00 -0.80 7.54 0.00 -1.62 -2.77 119.26 122.66 2diu h ALA 62 Ca 0.68 -0.86 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2diu h ALA 62 Cb 2.36 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.37 2diu h ALA 62 CO -0.24 0.58 0.40 0.37 0.00 0.00 0.00 179.25 180.36 2diu h GLN 63 N -0.29 1.14 0.00 0.00 -0.00 0.47 1.11 115.11 117.54 2diu h GLN 63 Ca -0.22 -0.15 -0.03 0.00 -0.00 0.00 0.00 58.65 58.25 2diu h GLN 63 Cb 1.75 -0.21 -0.00 0.00 0.00 0.00 0.00 27.48 29.01 2diu h GLN 63 CO 0.13 0.87 -0.13 1.57 0.00 0.00 0.00 178.83 181.27 2diu h LYS 64 N 1.14 0.00 0.00 1.69 5.09 -0.71 -3.10 116.57 120.68 2diu h LYS 64 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.02 2diu h LYS 64 Cb 0.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.42 2diu h LYS 64 CO -0.04 0.13 -0.10 -2.13 -2.09 0.00 0.00 179.45 175.22 2diu n ARG 65 N -3.16 0.07 -0.36 0.07 3.00 -0.73 -4.29 116.66 111.26 2diu n ARG 65 Ca 0.03 0.16 0.33 0.00 -0.00 0.00 0.00 57.85 58.37 2diu n ARG 65 Cb 0.52 -0.76 0.60 0.00 0.00 0.00 0.00 32.46 32.83 2diu n ARG 65 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 2diu h MET 66 N -0.14 0.03 -0.24 -0.14 2.86 0.11 0.40 114.93 117.81 2diu h MET 66 Ca 0.00 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2diu h MET 66 Cb 0.10 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 2diu h MET 66 CO 0.00 0.02 -0.26 1.05 1.06 0.00 0.00 176.91 178.78 2diu h GLU 67 N 0.03 -0.26 -0.19 1.72 4.11 -1.66 -2.45 114.58 115.87 2diu h GLU 67 Ca 0.85 0.02 -0.18 0.00 0.07 0.00 0.00 59.36 60.11 2diu h GLU 67 Cb 2.35 0.06 0.01 0.00 0.50 0.00 0.00 28.75 31.67 2diu h GLU 67 CO -0.68 -0.18 -0.60 -0.91 0.07 0.00 0.00 179.01 176.72 2diu h ASN 68 N -0.27 0.86 -1.73 3.06 -0.26 -0.47 -3.38 115.58 113.39 2diu h ASN 68 Ca 0.13 -0.59 -0.29 0.00 -0.56 0.00 0.00 56.30 54.99 2diu h ASN 68 Cb 0.48 -0.25 0.16 0.00 -1.06 0.00 0.00 38.32 37.65 2diu h ASN 68 CO -0.40 1.30 -0.88 -0.62 -1.06 0.00 0.00 177.43 175.78 2diu n GLU 69 N -4.06 -1.41 -3.36 0.81 -0.58 -0.24 -4.80 120.64 107.00 2diu n GLU 69 Ca -0.06 -0.41 -0.11 0.00 -0.42 0.00 0.00 57.16 56.15 2diu n GLU 69 Cb 0.65 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 30.07 2diu n GLU 69 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2diu s ASP 70 N -1.64 0.63 0.17 1.62 -4.77 -1.26 -3.62 116.67 107.81 2diu s ASP 70 Ca 0.36 -0.17 -0.26 0.00 -3.30 0.00 0.00 52.55 49.17 2diu s ASP 70 Cb -0.03 0.95 0.03 0.00 -1.09 0.00 0.00 42.92 42.77 2diu s ASP 70 CO 0.42 -0.33 1.55 0.58 0.70 0.00 0.00 175.17 178.09 2diu h VAL 71 N 6.20 0.03 -1.18 2.11 2.07 -1.92 -3.41 116.25 120.16 2diu h VAL 71 Ca -0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2diu h VAL 71 Cb 1.13 0.03 -0.23 0.00 -1.52 0.00 0.00 31.29 30.71 2diu h VAL 71 CO 0.28 0.00 -0.33 -0.36 0.02 0.00 0.00 177.57 177.19 2diu s PHE 72 N -5.74 -1.48 -0.09 1.57 0.08 -1.26 -4.92 117.98 106.14 2diu s PHE 72 Ca -0.13 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.37 2diu s PHE 72 Cb 0.13 0.43 0.00 0.00 -0.57 0.00 0.00 43.02 43.01 2diu s PHE 72 CO 0.65 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 2diu n GLY 73 N 5.42 -0.33 3.14 4.36 0.00 -1.26 -4.84 105.19 111.67 2diu n GLY 73 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2diu n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2diu s ASN 74 N -1.75 -0.29 -0.32 1.61 4.22 -1.26 -5.12 114.94 112.03 2diu s ASN 74 Ca 0.00 0.56 -0.23 0.00 -2.14 0.00 0.00 52.86 51.05 2diu s ASN 74 Cb 0.00 0.54 0.00 0.00 1.28 0.00 0.00 41.25 43.07 2diu s ASN 74 CO 0.00 -0.12 0.78 -0.60 -2.04 0.00 0.00 177.10 175.13 2diu s ARG 75 N 0.46 3.91 0.45 3.55 6.06 -1.26 -3.26 118.95 128.86 2diu s ARG 75 Ca -0.03 0.51 -0.09 0.00 -2.50 0.00 0.00 55.73 53.61 2diu s ARG 75 Cb -0.04 -3.75 -0.06 0.00 0.06 0.00 0.00 34.95 31.16 2diu s ARG 75 CO -0.02 -0.72 0.81 0.96 -2.50 0.00 0.00 175.30 173.83 2diu s ILE 76 N 2.99 4.80 -0.18 4.11 -4.36 -1.24 -4.78 121.20 122.53 2diu s ILE 76 Ca 0.32 0.57 0.01 0.00 -0.26 0.00 0.00 60.65 61.29 2diu s ILE 76 Cb -0.14 -3.78 0.03 0.00 1.25 0.00 0.00 42.46 39.82 2diu s ILE 76 CO 0.14 -0.68 -0.14 -0.63 0.24 0.00 0.00 174.94 173.86 2diu s ILE 77 N -2.56 1.79 -0.20 8.37 1.01 0.11 -4.47 121.20 125.24 2diu s ILE 77 Ca 0.51 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 2diu s ILE 77 Cb -0.10 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2diu s ILE 77 CO 0.37 0.35 0.03 -0.69 0.00 0.00 0.00 174.94 175.00 2diu s VAL 78 N 1.37 4.21 0.06 2.92 1.01 -1.26 0.11 120.40 128.82 2diu s VAL 78 Ca 0.02 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2diu s VAL 78 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2diu s VAL 78 CO -0.10 0.42 -0.07 -0.55 0.00 0.00 0.00 175.10 174.80 2diu s SER 79 N 0.92 0.95 0.26 3.32 0.15 0.86 -4.87 113.70 115.28 2diu s SER 79 Ca 0.02 -0.70 0.24 0.00 0.70 0.00 0.00 55.95 56.22 2diu s SER 79 Cb -0.14 0.06 0.44 0.00 -1.71 0.00 0.00 66.02 64.66 2diu s SER 79 CO 0.02 -0.29 1.51 -0.26 1.20 0.00 0.00 173.24 175.43 2diu h PHE 80 N 4.01 0.00 -2.50 3.44 0.04 -1.87 0.33 116.94 120.39 2diu h PHE 80 Ca -0.36 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 59.84 2diu h PHE 80 Cb 1.19 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.24 2diu h PHE 80 CO 0.63 0.00 -0.65 0.95 -0.60 0.00 0.00 178.31 178.64 2diu s THR 81 N -3.19 3.57 0.42 -1.55 -4.23 -1.26 -4.80 115.64 104.60 2diu s THR 81 Ca 0.07 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 2diu s THR 81 Cb 0.10 -2.86 -0.08 0.00 1.34 0.00 0.00 72.50 71.00 2diu s THR 81 CO 0.68 -0.26 1.18 -2.16 -0.54 0.00 0.00 174.62 173.51 2diu s PRO 82 N -3.36 3.94 -0.78 3.99 0.04 -1.26 -4.83 135.00 132.73 2diu s PRO 82 Ca 0.29 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2diu s PRO 82 Cb -0.08 -2.59 0.36 0.00 0.04 0.00 0.00 34.50 32.24 2diu s PRO 82 CO 0.19 -0.42 2.06 1.63 0.04 0.00 0.00 177.00 180.50 2diu n LYS 83 N -0.12 2.71 -0.96 4.56 5.02 -1.26 -4.54 118.16 123.57 2diu n LYS 83 Ca 0.05 -3.39 -0.10 0.00 -2.02 0.00 0.00 58.31 52.85 2diu n LYS 83 Cb 0.47 -2.26 0.18 0.00 -0.02 0.00 0.00 35.03 33.40 2diu n LYS 83 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2diu n ASN 84 N -0.57 2.97 -4.19 4.39 6.94 -1.26 -4.99 115.26 118.54 2diu n ASN 84 Ca 0.56 -3.77 -0.11 0.00 -0.02 0.00 0.00 54.58 51.23 2diu n ASN 84 Cb 0.35 -0.67 -0.10 0.00 -2.36 0.00 0.00 39.78 37.00 2diu n ASN 84 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2diu s ARG 85 N -3.30 1.02 -0.26 -3.83 1.81 -1.26 -5.17 118.95 107.96 2diu s ARG 85 Ca 0.48 -1.50 -0.16 0.00 -1.72 0.00 0.00 55.73 52.84 2diu s ARG 85 Cb 0.42 0.05 0.07 0.00 -0.45 0.00 0.00 34.95 35.05 2diu s ARG 85 CO 0.01 -0.23 0.64 -2.00 -0.68 0.00 0.00 175.30 173.04 2diu s GLU 86 N -4.01 0.66 0.05 3.54 -6.30 -1.26 -5.17 118.70 106.21 2diu s GLU 86 Ca 0.25 1.11 -0.27 0.00 -2.50 0.00 0.00 54.97 53.56 2diu s GLU 86 Cb 0.07 0.14 0.09 0.00 0.00 0.00 0.00 34.13 34.43 2diu s GLU 86 CO 0.04 -0.14 0.91 -0.48 0.02 0.00 0.00 175.26 175.60 2diu s LEU 87 N 1.44 -0.31 -0.14 2.70 0.05 -1.26 -5.10 118.68 116.06 2diu s LEU 87 Ca -0.09 -0.12 -0.13 0.00 0.05 0.00 0.00 54.13 53.84 2diu s LEU 87 Cb -0.06 2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 46.12 2diu s LEU 87 CO -0.16 -0.71 -0.26 0.00 -0.55 0.00 0.00 176.35 174.67 2diu n GLU 89 N -4.14 -0.80 -3.59 0.00 4.07 -1.26 -4.96 120.64 109.97 2diu n GLU 89 Ca -0.10 -0.19 -0.41 0.00 -0.06 0.00 0.00 57.16 56.40 2diu n GLU 89 Cb 0.39 -2.01 -0.11 0.00 -0.06 0.00 0.00 31.44 29.64 2diu n GLU 89 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2diu s THR 90 N -2.44 4.55 -0.64 6.31 -4.23 -1.26 -5.02 115.64 112.91 2diu s THR 90 Ca 0.61 -0.96 -0.26 0.00 -1.18 0.00 0.00 61.69 59.90 2diu s THR 90 Cb -0.21 -3.59 -0.07 0.00 1.34 0.00 0.00 72.50 69.97 2diu s THR 90 CO 0.64 -0.30 2.20 -0.55 -0.54 0.00 0.00 174.62 176.08 2diu s SER 91 N 1.68 4.63 0.00 3.99 0.15 -1.26 -4.59 113.70 118.29 2diu s SER 91 Ca 0.02 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2diu s SER 91 Cb -0.20 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2diu s SER 91 CO 0.06 -2.95 0.00 0.61 1.20 0.00 0.00 173.24 172.16 2diu n GLY 92 N 6.21 2.15 3.55 9.45 0.00 -1.26 -4.92 105.19 120.38 2diu n GLY 92 Ca 0.35 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 2diu n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diu s PRO 93 N -4.75 2.70 -0.11 1.61 0.04 -1.26 -4.97 135.00 128.25 2diu s PRO 93 Ca 0.00 0.68 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 2diu s PRO 93 Cb 0.00 -4.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 2diu s PRO 93 CO 0.00 -2.65 -0.10 0.45 0.04 0.00 0.00 177.00 174.75 2diu s SER 94 N 7.88 4.31 -0.08 6.66 0.15 -1.26 -5.04 113.70 126.32 2diu s SER 94 Ca 0.68 -0.21 -0.05 0.00 0.70 0.00 0.00 55.95 57.07 2diu s SER 94 Cb -0.13 -1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 62.67 2diu s SER 94 CO 0.22 0.22 0.21 0.77 1.20 0.00 0.00 173.24 175.86 2diu h SER 95 N 6.28 -0.15 0.00 5.45 4.64 -2.05 -3.54 113.55 124.18 2diu h SER 95 Ca -0.33 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2diu h SER 95 Cb 1.19 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2diu h SER 95 CO 0.56 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.44