#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu h SER 2 N 0.00 -0.05 -3.52 1.61 0.87 -2.10 -3.32 113.55 107.04 2diu h SER 2 Ca 0.00 -0.18 -0.70 0.00 -1.23 0.00 0.00 61.79 59.68 2diu h SER 2 Cb 0.00 0.01 -0.30 0.00 -0.44 0.00 0.00 62.40 61.67 2diu h SER 2 CO 0.00 0.15 -0.53 -0.94 -0.53 0.00 0.00 176.83 174.98 2diu s SER 3 N -5.32 5.42 0.00 6.23 1.04 -1.26 -4.65 113.70 115.15 2diu s SER 3 Ca -0.14 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.71 2diu s SER 3 Cb 0.04 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2diu s SER 3 CO 0.66 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2diu n GLY 4 N 4.79 2.58 3.66 7.32 0.00 -1.26 -5.11 105.19 117.17 2diu n GLY 4 Ca -0.09 -0.36 -0.52 0.00 0.00 0.00 0.00 46.02 45.05 2diu n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2diu n SER 5 N 0.00 2.43 -2.10 1.61 3.41 -1.25 -4.82 113.62 112.90 2diu n SER 5 Ca 0.00 1.07 -0.17 0.00 -0.26 0.00 0.00 58.87 59.51 2diu n SER 5 Cb 0.00 -1.25 -0.07 0.00 -0.26 0.00 0.00 64.21 62.63 2diu n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2diu n SER 6 N 4.27 5.92 -3.19 4.04 2.88 -1.26 -4.77 113.62 121.51 2diu n SER 6 Ca 0.21 -2.84 -0.06 0.00 -1.33 0.00 0.00 58.87 54.85 2diu n SER 6 Cb 0.21 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2diu n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diu n GLY 7 N 1.41 -1.24 0.11 0.46 0.00 -1.26 -4.92 105.19 99.76 2diu n GLY 7 Ca 0.38 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.86 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 -5.86 0.39 -0.15 0.00 0.09 -1.26 -4.71 115.29 103.79 2diu s HIS 9 Ca -0.13 0.86 -0.03 0.00 -0.00 0.00 0.00 55.06 55.75 2diu s HIS 9 Cb 0.08 -3.01 0.05 0.00 -0.00 0.00 0.00 32.58 29.70 2diu s HIS 9 CO 0.70 -4.44 0.05 0.99 -0.00 0.00 0.00 174.74 172.04 2diu s THR 10 N -2.39 0.27 0.08 1.30 2.01 -0.16 -4.83 115.64 111.91 2diu s THR 10 Ca 0.69 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 2diu s THR 10 Cb -0.19 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.52 2diu s THR 10 CO 0.61 -0.12 0.38 -0.76 -0.69 0.00 0.00 174.62 174.05 2diu s LEU 11 N 1.98 4.34 0.10 4.42 1.43 -1.26 -0.42 118.68 129.28 2diu s LEU 11 Ca 0.01 0.74 0.06 0.00 -1.03 0.00 0.00 54.13 53.91 2diu s LEU 11 Cb -0.16 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2diu s LEU 11 CO -0.07 0.17 -0.04 -0.76 0.23 0.00 0.00 176.35 175.88 2diu s LEU 12 N -1.96 3.29 -0.28 1.79 1.43 -0.33 -4.81 118.68 117.81 2diu s LEU 12 Ca 0.33 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2diu s LEU 12 Cb -0.14 -2.04 0.08 0.00 0.03 0.00 0.00 46.19 44.12 2diu s LEU 12 CO 0.18 0.17 -0.01 -0.31 0.23 0.00 0.00 176.35 176.61 2diu s TYR 13 N -1.30 2.91 0.21 0.29 2.02 0.09 -1.77 117.35 119.80 2diu s TYR 13 Ca 0.24 -2.26 -0.11 0.00 -0.37 0.00 0.00 57.07 54.57 2diu s TYR 13 Cb -0.11 -2.09 -0.07 0.00 -0.40 0.00 0.00 41.96 39.28 2diu s TYR 13 CO 0.17 -0.87 0.54 0.08 -1.57 0.00 0.00 175.55 173.90 2diu s VAL 14 N 1.21 4.92 0.23 0.71 1.01 -0.51 -0.35 120.40 127.62 2diu s VAL 14 Ca 0.01 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2diu s VAL 14 Cb -0.19 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2diu s VAL 14 CO -0.09 0.01 0.15 -0.31 0.00 0.00 0.00 175.10 174.86 2diu s TYR 15 N -1.73 1.29 -1.07 5.22 1.51 0.32 -1.06 117.35 121.83 2diu s TYR 15 Ca 0.45 -1.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.08 2diu s TYR 15 Cb -0.12 -0.62 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2diu s TYR 15 CO 0.21 -0.64 0.91 0.09 -1.11 0.00 0.00 175.55 175.01 2diu n ASN 16 N -0.49 -3.89 -4.93 2.29 4.13 -0.12 -1.11 115.26 111.15 2diu n ASN 16 Ca 0.03 -0.62 -0.27 0.00 1.68 0.00 0.00 54.58 55.40 2diu n ASN 16 Cb 0.65 -4.90 -0.03 0.00 -1.54 0.00 0.00 39.78 33.97 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 -5.74 4.18 -1.03 3.41 1.43 -0.48 -4.34 118.68 116.11 2diu s LEU 17 Ca 0.18 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.48 2diu s LEU 17 Cb -0.02 -3.22 -0.07 0.00 0.03 0.00 0.00 46.19 42.91 2diu s LEU 17 CO 0.69 -0.10 1.94 -2.16 0.23 0.00 0.00 176.35 176.95 2diu s PRO 18 N -3.55 2.52 0.42 1.29 0.04 -1.26 -4.72 135.00 129.74 2diu s PRO 18 Ca 0.39 -0.67 0.10 0.00 0.04 0.00 0.00 61.00 60.86 2diu s PRO 18 Cb -0.11 -5.14 0.94 0.00 0.04 0.00 0.00 34.50 30.23 2diu s PRO 18 CO 0.30 -3.65 2.02 0.00 0.04 0.00 0.00 177.00 175.71 2diu h ALA 19 N 10.61 1.85 -0.31 8.56 0.00 -1.94 -2.16 119.26 135.87 2diu h ALA 19 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2diu h ALA 19 Cb 0.98 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2diu h ALA 19 CO 1.21 0.07 0.07 -0.91 0.00 0.00 0.00 179.25 179.69 2diu h ASN 20 N 0.49 0.48 -2.55 0.00 4.21 -2.00 -3.42 115.58 112.80 2diu h ASN 20 Ca 0.22 -0.24 -0.56 0.00 1.21 0.00 0.00 56.30 56.93 2diu h ASN 20 Cb 0.24 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 2diu h ASN 20 CO -0.06 0.60 1.18 -0.54 -1.29 0.00 0.00 177.43 177.33 2diu s LYS 21 N -5.24 3.89 -0.21 0.81 -0.14 -0.81 -4.85 119.74 113.18 2diu s LYS 21 Ca -0.13 2.04 -0.32 0.00 -1.36 0.00 0.00 55.97 56.20 2diu s LYS 21 Cb 0.09 -4.09 -0.15 0.00 -1.68 0.00 0.00 37.83 32.00 2diu s LYS 21 CO 0.75 -1.20 1.00 -3.47 -0.76 0.00 0.00 175.35 171.67 2diu n ASP 22 N 8.30 0.51 -0.24 2.83 -0.08 -1.26 -4.58 116.55 122.03 2diu n ASP 22 Ca 0.20 0.86 -0.08 0.00 -1.51 0.00 0.00 54.79 54.26 2diu n ASP 22 Cb 0.44 -0.65 -0.03 0.00 2.34 0.00 0.00 41.12 43.21 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 3.03 -0.43 -0.85 0.27 0.00 -1.88 -0.01 103.07 103.22 2diu h GLY 23 Ca -0.34 0.57 0.18 0.00 0.00 0.00 0.00 47.33 47.74 2diu h GLY 23 CO 0.61 -0.15 -0.17 1.17 0.00 0.00 0.00 176.54 178.01 2diu n LYS 24 N -5.40 -0.07 0.03 4.80 4.81 -1.26 0.58 118.16 121.64 2diu n LYS 24 Ca 0.03 1.31 -0.12 0.00 -0.87 0.00 0.00 58.31 58.66 2diu n LYS 24 Cb 0.35 -1.99 -0.08 0.00 0.02 0.00 0.00 35.03 33.33 2diu n LYS 24 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2diu h SER 25 N 0.00 -0.02 -0.12 3.14 0.02 -1.33 -3.21 113.55 112.03 2diu h SER 25 Ca 0.43 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2diu h SER 25 Cb 0.71 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2diu h SER 25 CO -0.86 0.19 -0.22 0.58 -1.14 0.00 0.00 176.83 175.38 2diu h VAL 26 N -0.22 0.00 -0.03 2.27 2.07 0.67 -2.76 116.25 118.25 2diu h VAL 26 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2diu h VAL 26 Cb 0.21 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2diu h VAL 26 CO 0.00 0.00 -0.02 -1.20 0.02 0.00 0.00 177.57 176.38 2diu n SER 27 N -3.73 -0.03 -0.16 0.57 7.64 -0.62 -1.09 113.62 116.20 2diu n SER 27 Ca -0.02 0.79 -0.04 0.00 1.01 0.00 0.00 58.87 60.61 2diu n SER 27 Cb 0.14 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.93 2diu n SER 27 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2diu n ASN 28 N -2.85 -0.40 -0.33 6.43 5.15 -1.10 0.18 115.26 122.35 2diu n ASN 28 Ca 0.00 1.01 0.26 0.00 -0.60 0.00 0.00 54.58 55.25 2diu n ASN 28 Cb 0.01 -0.26 0.49 0.00 -0.53 0.00 0.00 39.78 39.49 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 0.07 0.02 1.20 9.65 -0.83 0.19 114.38 124.67 2diu h ARG 29 Ca 0.06 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2diu h ARG 29 Cb 0.15 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2diu h ARG 29 CO -0.35 0.05 -0.01 -0.07 2.80 0.00 0.00 179.97 182.38 2diu h LEU 30 N 0.07 -0.02 -0.78 3.80 4.07 0.25 -3.24 115.31 119.46 2diu h LEU 30 Ca 0.76 -0.65 0.16 0.00 0.08 0.00 0.00 57.88 58.22 2diu h LEU 30 Cb 1.88 0.01 -0.15 0.00 1.08 0.00 0.00 40.66 43.48 2diu h LEU 30 CO -0.77 0.66 -0.20 0.54 -1.08 0.00 0.00 178.44 177.60 2diu n ARG 31 N -4.77 -0.07 -0.30 1.13 1.74 0.91 0.23 116.66 115.53 2diu n ARG 31 Ca -0.09 1.21 -0.05 0.00 -0.77 0.00 0.00 57.85 58.15 2diu n ARG 31 Cb 0.33 -1.81 0.07 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.17 0.00 5.56 2.47 -1.55 0.67 114.38 122.69 2diu h ARG 32 Ca 0.37 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.87 2diu h ARG 32 Cb 0.57 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 2diu h ARG 32 CO -0.80 0.91 -0.22 -0.07 0.56 0.00 0.00 179.97 180.34 2diu h LEU 33 N 1.14 0.00 0.00 3.04 3.38 0.29 -2.76 115.31 120.41 2diu h LEU 33 Ca 0.28 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.00 2diu h LEU 33 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2diu h LEU 33 CO -0.03 0.22 -1.75 -0.24 0.09 0.00 0.00 178.44 176.73 2diu n SER 34 N -3.74 0.66 0.21 -0.43 2.88 0.50 -3.40 113.62 110.30 2diu n SER 34 Ca -0.01 0.30 0.05 0.00 -1.33 0.00 0.00 58.87 57.88 2diu n SER 34 Cb 0.33 0.32 0.47 0.00 -0.75 0.00 0.00 64.21 64.58 2diu n SER 34 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2diu h ASP 35 N 0.00 0.00 0.49 -3.46 3.58 0.60 0.67 116.42 118.29 2diu h ASP 35 Ca -0.28 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.87 2diu h ASP 35 Cb 1.86 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.88 2diu h ASP 35 CO 0.05 0.26 -1.60 -1.13 -2.88 0.00 0.00 179.24 173.94 2diu h ASN 36 N 0.00 0.19 -0.02 2.28 -0.73 -1.64 -3.30 115.58 112.36 2diu h ASN 36 Ca -0.00 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.84 2diu h ASN 36 Cb 0.48 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.01 2diu h ASN 36 CO 0.03 1.28 0.00 0.00 -0.37 0.00 0.00 177.43 178.38 2diu n GLY 38 N 0.99 0.12 1.91 0.00 0.00 -0.49 -4.41 105.19 103.30 2diu n GLY 38 Ca 0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2diu n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2diu n GLY 39 N -1.30 2.61 3.04 -0.02 0.00 0.22 -3.97 105.19 105.77 2diu n GLY 39 Ca -0.05 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 2diu n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2diu s LYS 40 N -2.47 0.30 -0.75 1.61 2.20 -0.87 -4.15 119.74 115.60 2diu s LYS 40 Ca 0.17 0.72 -0.24 0.00 -0.36 0.00 0.00 55.97 56.25 2diu s LYS 40 Cb -0.00 -0.18 -0.15 0.00 -1.51 0.00 0.00 37.83 35.98 2diu s LYS 40 CO 0.12 -0.46 2.40 1.55 -0.36 0.00 0.00 175.35 178.60 2diu n VAL 41 N 5.37 -0.02 0.02 4.02 3.14 -1.26 -1.05 118.33 128.54 2diu n VAL 41 Ca -0.06 -0.55 -0.12 0.00 -2.96 0.00 0.00 64.34 60.65 2diu n VAL 41 Cb 0.50 -1.90 -0.06 0.00 -1.06 0.00 0.00 33.84 31.32 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 20.31 -1.27 -8.06 6.55 3.38 0.42 -3.46 115.31 133.18 2diu h LEU 42 Ca -0.05 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2diu h LEU 42 Cb 1.09 0.51 -0.06 0.00 0.09 0.00 0.00 40.66 42.29 2diu h LEU 42 CO 1.12 -0.43 0.15 -0.44 0.09 0.00 0.00 178.44 178.94 2diu s SER 43 N -4.86 -0.20 -0.24 -0.43 0.01 -0.97 -5.01 113.70 102.00 2diu s SER 43 Ca -0.16 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.36 2diu s SER 43 Cb 0.09 0.71 0.08 0.00 0.21 0.00 0.00 66.02 67.11 2diu s SER 43 CO 0.64 -1.32 0.08 -0.63 0.41 0.00 0.00 173.24 172.42 2diu s ILE 44 N -3.85 0.38 -0.13 1.44 1.01 -1.26 -0.85 121.20 117.94 2diu s ILE 44 Ca 0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2diu s ILE 44 Cb -0.05 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2diu s ILE 44 CO 0.08 -0.46 -0.01 0.42 0.00 0.00 0.00 174.94 174.97 2diu s THR 45 N 1.90 4.20 0.00 2.92 -4.23 0.26 -4.96 115.64 115.73 2diu s THR 45 Ca 0.05 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 2diu s THR 45 Cb -0.17 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2diu s THR 45 CO -0.20 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 2diu n GLY 46 N 2.99 2.08 1.22 3.99 0.00 -1.26 0.29 105.19 114.50 2diu n GLY 46 Ca -0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.17 1.24 0.19 0.00 1.04 0.14 -0.94 113.70 115.21 2diu s SER 48 Ca 0.22 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.62 2diu s SER 48 Cb 0.18 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2diu s SER 48 CO 0.06 -0.44 0.16 0.00 0.98 0.00 0.00 173.24 174.00 2diu s ALA 49 N -3.57 0.90 -0.04 5.32 0.00 -0.23 -0.57 121.76 123.58 2diu s ALA 49 Ca 0.12 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 2diu s ALA 49 Cb 0.05 1.24 0.03 0.00 0.00 0.00 0.00 23.12 24.44 2diu s ALA 49 CO -0.04 -0.61 0.02 0.42 0.00 0.00 0.00 175.76 175.56 2diu s ILE 50 N -4.12 0.09 0.23 0.00 1.01 -0.03 -1.43 121.20 116.96 2diu s ILE 50 Ca 0.34 0.20 0.10 0.00 0.00 0.00 0.00 60.65 61.29 2diu s ILE 50 Cb 0.06 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 2diu s ILE 50 CO 0.09 0.16 -0.12 -0.76 0.00 0.00 0.00 174.94 174.32 2diu s LEU 51 N 1.47 2.86 -0.25 2.97 1.02 -0.73 0.11 118.68 126.13 2diu s LEU 51 Ca -0.04 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.37 2diu s LEU 51 Cb -0.13 -1.46 0.05 0.00 0.02 0.00 0.00 46.19 44.67 2diu s LEU 51 CO -0.03 0.06 -0.12 -0.60 0.02 0.00 0.00 176.35 175.68 2diu s ARG 52 N -3.24 2.45 0.10 1.70 6.06 -0.22 -1.18 118.95 124.62 2diu s ARG 52 Ca 0.28 -1.21 0.05 0.00 -2.50 0.00 0.00 55.73 52.34 2diu s ARG 52 Cb -0.07 -2.85 -0.04 0.00 0.06 0.00 0.00 34.95 32.05 2diu s ARG 52 CO 0.16 -0.49 0.02 -0.06 -2.50 0.00 0.00 175.30 172.43 2diu s PHE 53 N 1.17 3.02 0.14 5.12 0.40 0.44 -2.06 117.98 126.21 2diu s PHE 53 Ca -0.05 -0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.09 2diu s PHE 53 Cb -0.18 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2diu s PHE 53 CO -0.06 0.49 1.80 0.97 0.70 0.00 0.00 175.22 179.12 2diu h ILE 54 N 2.77 1.09 -4.17 0.64 2.10 -1.82 -0.40 117.51 117.71 2diu h ILE 54 Ca -0.47 -0.15 -0.15 0.00 1.08 0.00 0.00 64.86 65.16 2diu h ILE 54 Cb 1.17 0.60 -0.14 0.00 -1.09 0.00 0.00 36.82 37.36 2diu h ILE 54 CO 0.61 0.08 -0.47 0.20 -1.08 0.00 0.00 178.15 177.49 2diu s ASN 55 N -5.50 0.15 0.19 2.19 0.01 -1.26 -4.05 114.94 106.67 2diu s ASN 55 Ca -0.13 -1.08 -0.17 0.00 -0.71 0.00 0.00 52.86 50.77 2diu s ASN 55 Cb 0.10 0.39 0.17 0.00 0.41 0.00 0.00 41.25 42.31 2diu s ASN 55 CO 0.71 -0.84 1.62 -0.61 -1.51 0.00 0.00 177.10 176.47 2diu h GLN 56 N 2.66 -0.08 -0.05 -0.60 5.75 -1.88 -2.19 115.11 118.72 2diu h GLN 56 Ca -0.33 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.18 2diu h GLN 56 Cb 1.22 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 2diu h GLN 56 CO 0.52 -0.05 -0.04 0.22 -2.65 0.00 0.00 178.83 176.83 2diu h ASP 57 N -0.08 -0.14 -1.08 -0.69 3.58 -1.99 0.70 116.42 116.72 2diu h ASP 57 Ca 0.25 0.02 0.33 0.00 0.42 0.00 0.00 57.03 58.05 2diu h ASP 57 Cb 0.47 0.06 -0.13 0.00 1.72 0.00 0.00 39.33 41.45 2diu h ASP 57 CO -0.60 -0.02 0.66 0.28 -2.88 0.00 0.00 179.24 176.68 2diu h SER 58 N -0.02 0.45 0.08 2.28 0.02 -1.73 0.87 113.55 115.50 2diu h SER 58 Ca 0.01 0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.97 2diu h SER 58 Cb 0.04 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2diu h SER 58 CO -0.05 -0.08 -0.48 0.00 -1.14 0.00 0.00 176.83 175.09 2diu h ALA 59 N 1.73 0.84 0.38 3.77 0.00 -0.05 -3.28 119.26 122.65 2diu h ALA 59 Ca 0.71 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2diu h ALA 59 Cb 1.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2diu h ALA 59 CO -0.48 0.66 -0.19 0.93 0.00 0.00 0.00 179.25 180.17 2diu h GLU 60 N 0.37 -0.50 -1.43 0.00 5.08 0.66 0.83 114.58 119.60 2diu h GLU 60 Ca 0.02 0.03 0.45 0.00 -1.00 0.00 0.00 59.36 58.87 2diu h GLU 60 Cb 0.97 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 2diu h GLU 60 CO 0.09 -0.33 0.97 0.54 -1.00 0.00 0.00 179.01 179.28 2diu n ARG 61 N -3.40 -0.02 0.12 2.33 1.74 -0.98 0.23 116.66 116.68 2diu n ARG 61 Ca -0.06 1.04 -0.24 0.00 -0.77 0.00 0.00 57.85 57.82 2diu n ARG 61 Cb 0.20 -2.18 -0.15 0.00 -1.02 0.00 0.00 32.46 29.31 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 1.18 -0.02 -0.29 7.54 0.00 -1.53 -2.29 119.26 123.85 2diu h ALA 62 Ca 0.80 -0.98 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2diu h ALA 62 Cb 2.83 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 20.90 2diu h ALA 62 CO -0.25 0.84 -0.20 0.37 0.00 0.00 0.00 179.25 180.01 2diu h GLN 63 N 0.13 0.53 0.00 0.00 -0.00 0.55 0.36 115.11 116.68 2diu h GLN 63 Ca -0.29 -0.19 -0.09 0.00 -0.00 0.00 0.00 58.65 58.09 2diu h GLN 63 Cb 2.14 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 29.57 2diu h GLN 63 CO 0.23 0.71 -0.66 1.57 0.00 0.00 0.00 178.83 180.68 2diu h LYS 64 N 0.47 0.00 0.00 1.69 5.09 -0.59 -3.18 116.57 120.06 2diu h LYS 64 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.82 2diu h LYS 64 Cb 0.62 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.95 2diu h LYS 64 CO 0.04 0.32 -0.14 -0.09 -2.09 0.00 0.00 179.45 177.49 2diu h ARG 65 N 0.00 0.00 -0.79 0.07 9.65 -1.10 -3.38 114.38 118.83 2diu h ARG 65 Ca -0.04 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.02 2diu h ARG 65 Cb 1.32 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.75 2diu h ARG 65 CO 0.04 0.00 -0.08 0.52 2.80 0.00 0.00 179.97 183.25 2diu h MET 66 N -0.37 0.05 -1.25 0.20 2.86 -0.49 0.49 114.93 116.43 2diu h MET 66 Ca 0.00 -0.00 0.41 0.00 -2.06 0.00 0.00 59.70 58.05 2diu h MET 66 Cb 0.14 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 31.66 2diu h MET 66 CO 0.00 0.03 0.79 1.05 1.06 0.00 0.00 176.91 179.84 2diu h GLU 67 N 0.05 0.12 0.00 1.72 4.11 -1.69 1.29 114.58 120.18 2diu h GLU 67 Ca 0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.84 2diu h GLU 67 Cb 0.71 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2diu h GLU 67 CO -0.75 0.08 -1.45 0.09 0.07 0.00 0.00 179.01 177.05 2diu n ASN 68 N -4.76 0.43 -4.78 3.06 4.13 0.15 -4.23 115.26 109.27 2diu n ASN 68 Ca 0.36 0.03 -0.31 0.00 1.68 0.00 0.00 54.58 56.34 2diu n ASN 68 Cb 1.34 1.22 0.09 0.00 -1.54 0.00 0.00 39.78 40.89 2diu n ASN 68 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2diu s GLU 69 N -3.39 2.27 -0.39 3.52 2.56 0.44 -4.89 118.70 118.83 2diu s GLU 69 Ca -0.03 1.04 0.01 0.00 0.00 0.00 0.00 54.97 55.99 2diu s GLU 69 Cb 0.13 -1.91 0.13 0.00 2.00 0.00 0.00 34.13 34.47 2diu s GLU 69 CO 0.85 -1.59 0.19 -0.51 -0.56 0.00 0.00 175.26 173.64 2diu s ASP 70 N -3.52 3.66 0.28 -1.70 1.01 -1.26 -2.90 116.67 112.24 2diu s ASP 70 Ca 0.61 -2.29 0.05 0.00 0.71 0.00 0.00 52.55 51.63 2diu s ASP 70 Cb -0.16 -0.90 0.76 0.00 1.01 0.00 0.00 42.92 43.63 2diu s ASP 70 CO 0.56 -0.31 1.38 0.52 0.21 0.00 0.00 175.17 177.52 2diu n VAL 71 N 3.98 -0.37 -3.15 -1.27 0.31 -1.20 -4.23 118.33 112.39 2diu n VAL 71 Ca 0.06 1.90 0.05 0.00 -0.01 0.00 0.00 64.34 66.34 2diu n VAL 71 Cb 0.37 -2.83 -0.01 0.00 -0.91 0.00 0.00 33.84 30.46 2diu n VAL 71 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2diu s PHE 72 N -5.75 -1.18 -1.29 3.52 0.08 -1.26 -4.95 117.98 107.14 2diu s PHE 72 Ca -0.11 1.20 -0.16 0.00 0.12 0.00 0.00 56.93 57.98 2diu s PHE 72 Cb 0.26 0.39 0.16 0.00 -0.57 0.00 0.00 43.02 43.27 2diu s PHE 72 CO 0.68 -0.65 0.41 0.41 -0.10 0.00 0.00 175.22 175.97 2diu n GLY 73 N 5.44 -0.32 3.64 4.36 0.00 -1.26 -4.83 105.19 112.22 2diu n GLY 73 Ca -0.03 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2diu n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2diu s ASN 74 N -2.60 -0.55 0.27 1.61 2.47 -1.26 -5.14 114.94 109.74 2diu s ASN 74 Ca 0.57 1.03 -0.21 0.00 0.42 0.00 0.00 52.86 54.68 2diu s ASN 74 Cb -0.33 1.08 -0.09 0.00 -1.45 0.00 0.00 41.25 40.45 2diu s ASN 74 CO 0.70 -0.18 0.80 -0.60 -3.72 0.00 0.00 177.10 174.11 2diu s ARG 75 N 0.46 4.31 0.21 0.43 3.00 -1.26 -3.25 118.95 122.86 2diu s ARG 75 Ca 0.00 0.99 0.09 0.00 -1.00 0.00 0.00 55.73 55.82 2diu s ARG 75 Cb -0.05 -2.76 -0.04 0.00 0.00 0.00 0.00 34.95 32.10 2diu s ARG 75 CO -0.06 0.31 -0.08 0.96 0.00 0.00 0.00 175.30 176.43 2diu s ILE 76 N -1.64 3.21 -0.18 4.11 -4.36 -1.14 -4.78 121.20 116.41 2diu s ILE 76 Ca 0.47 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.09 2diu s ILE 76 Cb -0.16 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 40.93 2diu s ILE 76 CO 0.21 -0.20 -0.17 -0.63 0.24 0.00 0.00 174.94 174.39 2diu s ILE 77 N -1.92 2.37 -0.19 8.37 1.01 -0.27 -4.12 121.20 126.45 2diu s ILE 77 Ca 0.27 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 2diu s ILE 77 Cb -0.08 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2diu s ILE 77 CO 0.16 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.94 2diu s VAL 78 N 1.27 4.18 0.07 2.92 1.01 -1.26 0.12 120.40 128.71 2diu s VAL 78 Ca 0.04 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2diu s VAL 78 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2diu s VAL 78 CO -0.09 0.44 -0.11 -0.55 0.00 0.00 0.00 175.10 174.78 2diu s SER 79 N 0.80 1.38 0.21 3.32 0.15 0.53 -4.91 113.70 115.17 2diu s SER 79 Ca 0.01 -0.68 0.24 0.00 0.70 0.00 0.00 55.95 56.22 2diu s SER 79 Cb -0.14 -0.00 0.42 0.00 -1.71 0.00 0.00 66.02 64.58 2diu s SER 79 CO 0.02 -0.18 1.45 -0.26 1.20 0.00 0.00 173.24 175.47 2diu h PHE 80 N 4.04 0.00 -3.19 3.44 0.04 -1.87 0.28 116.94 119.69 2diu h PHE 80 Ca -0.38 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 59.75 2diu h PHE 80 Cb 1.19 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.18 2diu h PHE 80 CO 0.64 0.00 -0.76 0.95 -0.60 0.00 0.00 178.31 178.54 2diu s THR 81 N -3.19 2.94 0.46 -1.55 -4.23 -1.26 -4.82 115.64 103.99 2diu s THR 81 Ca 0.06 -1.71 -0.23 0.00 -1.18 0.00 0.00 61.69 58.64 2diu s THR 81 Cb 0.11 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.45 2diu s THR 81 CO 0.69 -0.07 1.16 -2.16 -0.54 0.00 0.00 174.62 173.70 2diu s PRO 82 N -2.66 3.75 0.01 3.99 0.04 -1.26 -4.89 135.00 133.98 2diu s PRO 82 Ca 0.23 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.15 2diu s PRO 82 Cb -0.09 -2.39 -0.21 0.00 0.04 0.00 0.00 34.50 31.85 2diu s PRO 82 CO 0.13 -0.56 0.82 0.87 0.04 0.00 0.00 177.00 178.30 2diu h LYS 83 N 2.02 0.00 -0.72 4.56 1.79 -1.98 -3.36 116.57 118.88 2diu h LYS 83 Ca -0.49 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.92 2diu h LYS 83 Cb 1.25 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 2diu h LYS 83 CO 0.60 0.57 0.21 -0.91 -1.08 0.00 0.00 179.45 178.84 2diu h ASN 84 N 0.00 1.06 -3.48 0.86 4.21 -2.06 -3.38 115.58 112.80 2diu h ASN 84 Ca -0.21 -0.22 -0.62 0.00 1.21 0.00 0.00 56.30 56.46 2diu h ASN 84 Cb 1.90 -0.28 -0.40 0.00 -1.12 0.00 0.00 38.32 38.42 2diu h ASN 84 CO 0.09 1.00 -0.73 -0.13 -1.29 0.00 0.00 177.43 176.36 2diu s ARG 85 N -5.38 1.16 0.06 0.81 1.81 -1.26 -5.10 118.95 111.05 2diu s ARG 85 Ca -0.12 -1.58 0.02 0.00 -1.72 0.00 0.00 55.73 52.33 2diu s ARG 85 Cb 0.15 -2.62 -0.03 0.00 -0.45 0.00 0.00 34.95 31.99 2diu s ARG 85 CO 0.84 -0.98 -0.08 -1.83 -0.68 0.00 0.00 175.30 172.57 2diu s GLU 86 N 1.11 0.65 0.50 3.54 -1.05 -1.26 -4.54 118.70 117.65 2diu s GLU 86 Ca 0.11 -0.96 0.02 0.00 -0.15 0.00 0.00 54.97 54.00 2diu s GLU 86 Cb -0.19 -0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.17 2diu s GLU 86 CO -0.14 0.04 0.02 -0.51 0.95 0.00 0.00 175.26 175.62 2diu s LEU 87 N -2.06 2.40 0.03 1.83 1.02 -1.26 -5.09 118.68 115.56 2diu s LEU 87 Ca -0.02 -1.59 0.00 0.00 0.02 0.00 0.00 54.13 52.54 2diu s LEU 87 Cb -0.05 -0.78 0.00 0.00 0.02 0.00 0.00 46.19 45.37 2diu s LEU 87 CO -0.01 -0.80 0.00 0.00 0.02 0.00 0.00 176.35 175.56 2diu n GLU 89 N -2.92 3.37 -0.38 0.00 2.13 -1.26 -4.83 120.64 116.74 2diu n GLU 89 Ca 0.00 -4.10 0.35 0.00 0.66 0.00 0.00 57.16 54.07 2diu n GLU 89 Cb 0.25 -2.27 0.62 0.00 0.27 0.00 0.00 31.44 30.31 2diu n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2diu h THR 90 N 2.12 0.03 -3.83 6.31 1.03 -2.01 -3.39 112.91 113.17 2diu h THR 90 Ca 0.40 -0.01 -0.54 0.00 -0.01 0.00 0.00 66.41 66.25 2diu h THR 90 Cb 1.14 -0.00 0.10 0.00 -1.07 0.00 0.00 68.15 68.32 2diu h THR 90 CO 0.95 0.00 0.78 -0.94 -0.01 0.00 0.00 175.52 176.31 2diu s SER 91 N -4.46 6.40 0.00 0.00 1.04 -1.26 -4.83 113.70 110.59 2diu s SER 91 Ca -0.08 2.99 0.00 0.00 0.48 0.00 0.00 55.95 59.34 2diu s SER 91 Cb 0.33 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2diu s SER 91 CO 0.80 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2diu n GLY 92 N 0.79 0.96 3.66 7.32 0.00 -1.26 -5.16 105.19 111.50 2diu n GLY 92 Ca 0.02 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.17 0.08 1.61 0.04 -1.26 -4.88 135.00 130.75 2diu s PRO 93 Ca 0.00 0.44 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 2diu s PRO 93 Cb 0.00 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.69 2diu s PRO 93 CO 0.00 -2.89 0.57 -1.13 0.04 0.00 0.00 177.00 173.59 2diu n SER 94 N -4.27 -0.48 -3.59 6.66 3.41 -1.26 -4.95 113.62 109.13 2diu n SER 94 Ca 0.06 0.84 -0.01 0.00 -0.26 0.00 0.00 58.87 59.49 2diu n SER 94 Cb 0.58 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 2diu n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2diu s SER 95 N -0.38 -0.45 0.00 4.04 0.15 -1.26 -5.33 113.70 110.46 2diu s SER 95 Ca 0.56 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2diu s SER 95 Cb -0.80 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2diu s SER 95 CO 0.41 -0.11 0.23 0.61 1.20 0.00 0.00 173.24 175.58