#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu n SER 2 N 0.00 1.69 -4.56 1.61 7.64 -1.26 -4.90 113.62 113.84 2diu n SER 2 Ca 0.00 0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.77 2diu n SER 2 Cb 0.00 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 2diu n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2diu s SER 3 N -6.04 4.84 -0.37 6.43 0.15 -1.26 -4.88 113.70 112.58 2diu s SER 3 Ca -0.22 1.13 0.02 0.00 0.70 0.00 0.00 55.95 57.57 2diu s SER 3 Cb 0.04 -2.51 0.15 0.00 -1.71 0.00 0.00 66.02 61.99 2diu s SER 3 CO 0.32 -2.56 0.29 -0.83 1.20 0.00 0.00 173.24 171.66 2diu s GLY 4 N 10.45 0.61 -0.12 9.45 0.00 -1.26 -5.09 107.32 121.36 2diu s GLY 4 Ca 0.92 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 2diu s GLY 4 CO 0.27 2.31 0.07 -1.35 0.00 0.00 0.00 173.10 174.41 2diu s SER 5 N 1.01 1.95 0.38 1.64 1.04 -1.26 -5.13 113.70 113.33 2diu s SER 5 Ca 0.20 -0.37 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 2diu s SER 5 Cb -0.16 -0.25 0.05 0.00 0.10 0.00 0.00 66.02 65.76 2diu s SER 5 CO -0.03 -0.31 0.76 -0.55 0.98 0.00 0.00 173.24 174.10 2diu s SER 6 N 2.12 0.06 0.00 7.02 0.15 -1.26 -4.99 113.70 116.79 2diu s SER 6 Ca 0.03 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.54 2diu s SER 6 Cb -0.15 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2diu s SER 6 CO -0.07 -1.64 0.00 0.61 1.20 0.00 0.00 173.24 173.34 2diu n GLY 7 N -0.53 2.65 3.36 9.45 0.00 -1.26 -5.03 105.19 113.84 2diu n GLY 7 Ca -0.07 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.90 2.51 -0.25 0.00 0.09 -1.26 -4.62 115.29 109.87 2diu s HIS 9 Ca 0.61 1.56 0.02 0.00 -0.00 0.00 0.00 55.06 57.26 2diu s HIS 9 Cb -0.39 -3.20 0.06 0.00 -0.00 0.00 0.00 32.58 29.05 2diu s HIS 9 CO 0.62 -1.85 -0.07 0.99 -0.00 0.00 0.00 174.74 174.43 2diu s THR 10 N -2.35 1.83 0.12 1.30 2.01 -0.47 -4.95 115.64 113.13 2diu s THR 10 Ca 0.67 -1.47 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 2diu s THR 10 Cb -0.21 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 2diu s THR 10 CO 0.44 -0.12 0.41 -0.76 -0.69 0.00 0.00 174.62 173.90 2diu s LEU 11 N 1.25 4.29 0.17 4.42 1.43 -1.26 -0.35 118.68 128.64 2diu s LEU 11 Ca -0.06 0.73 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 2diu s LEU 11 Cb -0.19 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2diu s LEU 11 CO -0.06 0.10 0.01 -0.76 0.23 0.00 0.00 176.35 175.87 2diu s LEU 12 N -2.31 3.37 -0.25 1.79 1.43 0.54 -4.79 118.68 118.46 2diu s LEU 12 Ca 0.38 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2diu s LEU 12 Cb -0.13 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2diu s LEU 12 CO 0.21 0.09 -0.05 -0.31 0.23 0.00 0.00 176.35 176.51 2diu s TYR 13 N -1.74 2.63 0.12 0.29 2.02 0.78 -1.03 117.35 120.43 2diu s TYR 13 Ca 0.28 -1.95 -0.10 0.00 -0.37 0.00 0.00 57.07 54.92 2diu s TYR 13 Cb -0.09 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.66 2diu s TYR 13 CO 0.19 -0.81 0.46 0.08 -1.57 0.00 0.00 175.55 173.90 2diu s VAL 14 N 1.31 5.02 0.29 0.71 1.01 0.04 -0.24 120.40 128.53 2diu s VAL 14 Ca -0.05 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.49 2diu s VAL 14 Cb -0.19 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2diu s VAL 14 CO -0.07 0.20 0.21 -0.31 0.00 0.00 0.00 175.10 175.13 2diu s TYR 15 N -1.50 1.54 -1.29 5.22 1.51 0.25 -0.22 117.35 122.86 2diu s TYR 15 Ca 0.37 -1.52 -0.07 0.00 -1.01 0.00 0.00 57.07 54.84 2diu s TYR 15 Cb -0.14 -0.69 0.01 0.00 -0.11 0.00 0.00 41.96 41.03 2diu s TYR 15 CO 0.19 -0.74 0.86 -1.71 -1.11 0.00 0.00 175.55 173.05 2diu n ASN 16 N -1.04 -5.84 -4.81 2.29 2.85 -0.65 -1.35 115.26 106.71 2diu n ASN 16 Ca 0.05 -0.39 -0.35 0.00 -0.11 0.00 0.00 54.58 53.78 2diu n ASN 16 Cb 0.64 -4.54 -0.07 0.00 1.24 0.00 0.00 39.78 37.05 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2diu s LEU 17 N -6.41 4.15 -0.86 1.20 1.43 0.29 -4.52 118.68 113.96 2diu s LEU 17 Ca 0.43 1.64 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 2diu s LEU 17 Cb -0.19 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 2diu s LEU 17 CO 0.53 -0.19 1.94 -2.16 0.23 0.00 0.00 176.35 176.70 2diu s PRO 18 N -2.61 2.56 0.21 1.29 0.04 -1.26 -4.66 135.00 130.57 2diu s PRO 18 Ca 0.54 -0.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 2diu s PRO 18 Cb -0.13 -4.97 0.28 0.00 0.04 0.00 0.00 34.50 29.71 2diu s PRO 18 CO 0.18 -3.29 1.77 0.00 0.04 0.00 0.00 177.00 175.70 2diu h ALA 19 N 11.79 0.86 -0.61 8.56 0.00 -1.93 -1.88 119.26 136.05 2diu h ALA 19 Ca 0.05 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2diu h ALA 19 Cb 1.03 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2diu h ALA 19 CO 1.21 -0.10 0.25 -0.91 0.00 0.00 0.00 179.25 179.70 2diu h ASN 20 N 0.53 0.28 -2.24 0.00 4.21 -2.01 -3.39 115.58 112.95 2diu h ASN 20 Ca 0.31 0.07 -0.57 0.00 1.21 0.00 0.00 56.30 57.32 2diu h ASN 20 Cb 0.33 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 2diu h ASN 20 CO -0.26 0.17 1.41 -0.54 -1.29 0.00 0.00 177.43 176.92 2diu s LYS 21 N -6.09 3.13 -0.23 0.81 -0.14 -0.71 -4.85 119.74 111.66 2diu s LYS 21 Ca -0.13 1.70 -0.36 0.00 -1.36 0.00 0.00 55.97 55.83 2diu s LYS 21 Cb 0.17 -4.32 -0.16 0.00 -1.68 0.00 0.00 37.83 31.84 2diu s LYS 21 CO 0.75 -2.10 1.11 -0.25 -0.76 0.00 0.00 175.35 174.09 2diu n ASP 22 N 11.44 0.55 -0.30 2.83 8.00 -1.26 -4.54 116.55 133.26 2diu n ASP 22 Ca 0.27 0.96 0.10 0.00 0.71 0.00 0.00 54.79 56.82 2diu n ASP 22 Cb 0.47 -0.73 0.22 0.00 -0.02 0.00 0.00 41.12 41.06 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2diu h GLY 23 N 3.35 1.05 -0.93 0.44 0.00 -1.88 0.91 103.07 106.01 2diu h GLY 23 Ca -0.38 0.13 0.21 0.00 0.00 0.00 0.00 47.33 47.29 2diu h GLY 23 CO 0.68 -0.39 -0.17 1.70 0.00 0.00 0.00 176.54 178.36 2diu h LYS 24 N 0.07 0.00 -0.03 4.80 1.63 -2.01 0.15 116.57 121.19 2diu h LYS 24 Ca 0.51 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.29 2diu h LYS 24 Cb 0.96 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2diu h LYS 24 CO -0.79 0.00 -0.03 0.77 -3.45 0.00 0.00 179.45 175.95 2diu h SER 25 N 0.00 0.07 -0.06 4.20 0.02 -1.15 -3.24 113.55 113.40 2diu h SER 25 Ca 0.50 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2diu h SER 25 Cb 0.84 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2diu h SER 25 CO -0.97 0.58 -0.25 0.58 -1.14 0.00 0.00 176.83 175.63 2diu h VAL 26 N -0.43 0.00 -0.19 2.27 2.07 -0.34 -2.64 116.25 116.99 2diu h VAL 26 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2diu h VAL 26 Cb 0.56 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2diu h VAL 26 CO 0.01 0.00 -0.11 -1.54 0.02 0.00 0.00 177.57 175.95 2diu n SER 27 N -3.87 -0.20 -0.32 0.57 3.41 0.21 -0.73 113.62 112.69 2diu n SER 27 Ca -0.03 1.02 -0.07 0.00 -0.26 0.00 0.00 58.87 59.53 2diu n SER 27 Cb 0.17 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.36 -0.74 -0.30 4.04 4.05 -1.12 0.17 115.26 117.99 2diu n ASN 28 Ca 0.00 1.39 0.14 0.00 0.45 0.00 0.00 54.58 56.56 2diu n ASN 28 Cb 0.05 -0.22 0.31 0.00 1.23 0.00 0.00 39.78 41.15 2diu n ASN 28 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 2diu h ARG 29 N 0.00 0.30 -0.20 1.20 9.65 -0.56 0.20 114.38 124.96 2diu h ARG 29 Ca 0.17 -0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.83 2diu h ARG 29 Cb 0.36 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2diu h ARG 29 CO -0.75 0.20 -0.67 -0.07 2.80 0.00 0.00 179.97 181.48 2diu h LEU 30 N 0.31 0.89 -0.74 3.80 4.07 0.23 -3.20 115.31 120.66 2diu h LEU 30 Ca 0.56 -0.53 0.14 0.00 0.08 0.00 0.00 57.88 58.13 2diu h LEU 30 Cb 1.11 -0.26 -0.10 0.00 1.08 0.00 0.00 40.66 42.50 2diu h LEU 30 CO -0.59 1.32 0.27 0.03 -1.08 0.00 0.00 178.44 178.40 2diu h ARG 31 N 0.56 0.39 -0.17 1.13 3.08 0.27 -0.07 114.38 119.57 2diu h ARG 31 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2diu h ARG 31 Cb 1.28 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 2diu h ARG 31 CO 0.14 0.26 0.09 0.00 -1.07 0.00 0.00 179.97 179.39 2diu h ARG 32 N 0.40 0.23 0.00 0.04 3.08 -1.38 0.19 114.38 116.95 2diu h ARG 32 Ca 0.41 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2diu h ARG 32 Cb 0.64 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2diu h ARG 32 CO -0.42 0.22 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.61 2diu h LEU 33 N 0.18 0.00 0.13 3.04 3.38 -1.24 -2.39 115.31 118.40 2diu h LEU 33 Ca 0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.70 2diu h LEU 33 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2diu h LEU 33 CO -0.01 0.02 -1.70 0.77 0.09 0.00 0.00 178.44 177.61 2diu h SER 34 N 0.00 0.44 -0.83 -0.43 4.64 -0.21 -3.04 113.55 114.13 2diu h SER 34 Ca -0.00 -0.89 0.04 0.00 -0.47 0.00 0.00 61.79 60.47 2diu h SER 34 Cb 0.17 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 2diu h SER 34 CO 0.00 1.74 0.53 -0.78 -0.87 0.00 0.00 176.83 177.45 2diu h ASP 35 N -0.11 0.86 -0.19 4.97 1.82 -0.24 1.58 116.42 125.12 2diu h ASP 35 Ca -0.36 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.10 2diu h ASP 35 Cb 1.92 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 41.75 2diu h ASP 35 CO 0.09 0.58 -0.58 -1.13 -1.61 0.00 0.00 179.24 176.59 2diu h ASN 36 N 1.01 0.84 -0.47 2.28 -1.24 -1.60 -3.09 115.58 113.30 2diu h ASN 36 Ca 0.34 -0.59 -0.22 0.00 0.71 0.00 0.00 56.30 56.54 2diu h ASN 36 Cb 0.05 -0.24 -0.13 0.00 0.73 0.00 0.00 38.32 38.73 2diu h ASN 36 CO -0.13 1.28 0.28 0.00 -1.29 0.00 0.00 177.43 177.57 2diu n GLY 38 N -0.24 -0.97 3.74 0.00 0.00 -0.13 -4.64 105.19 102.96 2diu n GLY 38 Ca 0.28 0.77 -0.09 0.00 0.00 0.00 0.00 46.02 46.98 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 -2.62 0.38 -0.17 -0.02 0.00 0.52 -4.36 107.32 101.05 2diu s GLY 39 Ca 0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 2diu s GLY 39 CO 0.85 -0.38 0.33 1.25 0.00 0.00 0.00 173.10 175.15 2diu s LYS 40 N -3.32 0.24 -0.55 2.90 2.20 -0.89 -3.73 119.74 116.60 2diu s LYS 40 Ca 0.17 0.80 -0.26 0.00 -0.36 0.00 0.00 55.97 56.32 2diu s LYS 40 Cb -0.04 -0.02 -0.09 0.00 -1.51 0.00 0.00 37.83 36.18 2diu s LYS 40 CO 0.10 -0.34 2.43 1.55 -0.36 0.00 0.00 175.35 178.74 2diu n VAL 41 N 5.37 -0.07 0.11 4.02 3.14 -1.26 -1.47 118.33 128.16 2diu n VAL 41 Ca -0.07 -0.74 -0.13 0.00 -2.96 0.00 0.00 64.34 60.45 2diu n VAL 41 Cb 0.50 -2.60 -0.06 0.00 -1.06 0.00 0.00 33.84 30.61 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 19.67 -0.43 -7.67 6.55 3.38 -0.36 -3.47 115.31 132.98 2diu h LEU 42 Ca -0.20 0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2diu h LEU 42 Cb 1.24 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 2diu h LEU 42 CO 1.15 -0.24 0.25 -0.44 0.09 0.00 0.00 178.44 179.25 2diu s SER 43 N -4.91 -0.35 -0.28 -0.43 0.01 -0.99 -5.02 113.70 101.73 2diu s SER 43 Ca -0.15 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 2diu s SER 43 Cb 0.07 0.67 0.09 0.00 0.21 0.00 0.00 66.02 67.06 2diu s SER 43 CO 0.65 -1.19 0.09 -0.63 0.41 0.00 0.00 173.24 172.57 2diu s ILE 44 N -3.81 0.58 -0.15 1.44 1.01 -1.26 -0.77 121.20 118.24 2diu s ILE 44 Ca 0.08 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 2diu s ILE 44 Cb -0.04 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2diu s ILE 44 CO 0.01 -0.58 0.07 0.42 0.00 0.00 0.00 174.94 174.86 2diu s THR 45 N 1.78 4.88 0.00 2.92 -4.23 -0.29 -4.96 115.64 115.75 2diu s THR 45 Ca 0.07 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2diu s THR 45 Cb -0.17 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2diu s THR 45 CO -0.24 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 2diu n GLY 46 N 2.95 1.53 0.93 3.99 0.00 -1.26 0.37 105.19 113.70 2diu n GLY 46 Ca -0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 0.09 1.59 0.18 0.00 1.04 0.16 -0.54 113.70 116.21 2diu s SER 48 Ca 0.11 -1.18 -0.06 0.00 0.48 0.00 0.00 55.95 55.30 2diu s SER 48 Cb 0.09 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 2diu s SER 48 CO 0.03 -0.51 0.22 0.00 0.98 0.00 0.00 173.24 173.96 2diu s ALA 49 N -3.50 0.44 -0.07 5.32 0.00 0.69 -1.13 121.76 123.51 2diu s ALA 49 Ca 0.25 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2diu s ALA 49 Cb 0.05 1.02 0.03 0.00 0.00 0.00 0.00 23.12 24.23 2diu s ALA 49 CO 0.06 -0.63 0.04 0.42 0.00 0.00 0.00 175.76 175.65 2diu s ILE 50 N -4.04 0.12 0.25 0.00 1.01 0.05 -0.78 121.20 117.80 2diu s ILE 50 Ca 0.25 0.22 0.08 0.00 0.00 0.00 0.00 60.65 61.19 2diu s ILE 50 Cb 0.05 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2diu s ILE 50 CO 0.05 0.16 0.12 -0.76 0.00 0.00 0.00 174.94 174.51 2diu s LEU 51 N 2.07 3.60 -0.13 2.97 1.02 -0.19 0.40 118.68 128.43 2diu s LEU 51 Ca 0.05 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.84 2diu s LEU 51 Cb -0.13 -2.14 0.02 0.00 0.02 0.00 0.00 46.19 43.96 2diu s LEU 51 CO -0.05 -0.01 -0.17 -0.60 0.02 0.00 0.00 176.35 175.54 2diu s ARG 52 N -3.70 2.49 0.29 1.70 3.52 -0.55 -0.33 118.95 122.37 2diu s ARG 52 Ca 0.32 -0.65 0.11 0.00 -0.13 0.00 0.00 55.73 55.38 2diu s ARG 52 Cb -0.08 -2.11 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 2diu s ARG 52 CO 0.23 -0.09 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.40 2diu s PHE 53 N 1.05 2.34 0.01 5.12 0.40 0.53 -2.09 117.98 125.34 2diu s PHE 53 Ca -0.04 -0.34 -0.24 0.00 -0.60 0.00 0.00 56.93 55.71 2diu s PHE 53 Cb -0.15 -1.06 -0.18 0.00 0.51 0.00 0.00 43.02 42.14 2diu s PHE 53 CO -0.04 0.69 1.35 0.97 0.70 0.00 0.00 175.22 178.89 2diu h ILE 54 N 2.20 1.33 -4.64 0.64 2.10 -1.82 -1.24 117.51 116.09 2diu h ILE 54 Ca -0.41 -1.04 -0.32 0.00 1.08 0.00 0.00 64.86 64.18 2diu h ILE 54 Cb 1.26 1.94 -0.14 0.00 -1.09 0.00 0.00 36.82 38.79 2diu h ILE 54 CO 0.61 0.28 -0.52 0.54 -1.08 0.00 0.00 178.15 177.98 2diu s ASN 55 N -5.73 0.77 0.05 2.19 2.20 -1.26 -4.05 114.94 109.10 2diu s ASN 55 Ca -0.15 -1.52 -0.22 0.00 -0.94 0.00 0.00 52.86 50.03 2diu s ASN 55 Cb 0.03 0.47 -0.11 0.00 -2.00 0.00 0.00 41.25 39.65 2diu s ASN 55 CO 0.69 -0.97 1.34 -0.61 -2.94 0.00 0.00 177.10 174.62 2diu h GLN 56 N 2.39 -0.63 -0.51 3.55 5.75 -1.91 -2.08 115.11 121.68 2diu h GLN 56 Ca -0.31 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.28 2diu h GLN 56 Cb 1.24 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.87 2diu h GLN 56 CO 0.45 -0.42 -0.30 -3.47 -2.65 0.00 0.00 178.83 172.44 2diu n ASP 57 N -4.25 -0.54 -0.33 -0.69 2.03 -1.26 0.18 116.55 111.69 2diu n ASP 57 Ca -0.08 1.13 0.12 0.00 0.52 0.00 0.00 54.79 56.48 2diu n ASP 57 Cb 0.29 -0.23 0.30 0.00 -0.72 0.00 0.00 41.12 40.77 2diu n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2diu h SER 58 N 0.00 0.67 -0.10 1.67 0.02 -1.89 0.18 113.55 114.10 2diu h SER 58 Ca 0.08 0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2diu h SER 58 Cb 0.21 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2diu h SER 58 CO -0.48 0.22 -0.26 0.00 -1.14 0.00 0.00 176.83 175.17 2diu h ALA 59 N 1.64 1.03 0.48 3.77 0.00 0.26 -3.27 119.26 123.17 2diu h ALA 59 Ca 0.56 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2diu h ALA 59 Cb 0.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2diu h ALA 59 CO -0.40 0.58 -0.23 0.93 0.00 0.00 0.00 179.25 180.13 2diu h GLU 60 N 0.48 -0.63 -1.42 0.00 5.08 0.29 0.22 114.58 118.61 2diu h GLU 60 Ca 0.07 0.04 0.45 0.00 -1.00 0.00 0.00 59.36 58.92 2diu h GLU 60 Cb 0.71 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.01 2diu h GLU 60 CO 0.05 -0.42 0.97 0.54 -1.00 0.00 0.00 179.01 179.16 2diu n ARG 61 N -3.77 -0.02 0.05 2.33 1.74 -0.91 0.20 116.66 116.29 2diu n ARG 61 Ca -0.08 1.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.77 2diu n ARG 61 Cb 0.26 -2.11 -0.15 0.00 -1.02 0.00 0.00 32.46 29.44 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 1.11 0.18 0.00 7.54 0.00 -1.52 -2.83 119.26 123.74 2diu h ALA 62 Ca 0.77 -1.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2diu h ALA 62 Cb 2.80 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 21.07 2diu h ALA 62 CO -0.21 1.00 -0.15 0.37 0.00 0.00 0.00 179.25 180.26 2diu h GLN 63 N 0.00 0.00 0.00 0.00 -0.00 0.57 0.68 115.11 116.36 2diu h GLN 63 Ca -0.34 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.21 2diu h GLN 63 Cb 2.01 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.47 2diu h GLN 63 CO 0.14 0.15 -1.30 0.36 0.00 0.00 0.00 178.83 178.18 2diu n LYS 64 N -3.66 0.62 -0.02 1.69 -0.00 0.12 -3.60 118.16 113.31 2diu n LYS 64 Ca -0.02 0.16 -0.01 0.00 -0.00 0.00 0.00 58.31 58.44 2diu n LYS 64 Cb 0.27 -1.80 -0.00 0.00 -0.00 0.00 0.00 35.03 33.50 2diu n LYS 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2diu h ARG 65 N 0.00 0.00 -0.66 -1.58 9.65 -1.15 -3.37 114.38 117.28 2diu h ARG 65 Ca -0.10 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 58.92 2diu h ARG 65 Cb 1.34 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.80 2diu h ARG 65 CO 0.03 0.00 -0.09 0.52 2.80 0.00 0.00 179.97 183.22 2diu h MET 66 N -0.37 0.04 -1.09 0.20 2.86 -1.12 0.23 114.93 115.69 2diu h MET 66 Ca 0.00 -0.00 0.40 0.00 -2.06 0.00 0.00 59.70 58.04 2diu h MET 66 Cb 0.12 -0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.62 2diu h MET 66 CO 0.00 0.03 0.63 1.05 1.06 0.00 0.00 176.91 179.68 2diu h GLU 67 N 0.04 0.11 0.00 1.72 4.11 -1.71 1.41 114.58 120.26 2diu h GLU 67 Ca 0.33 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.75 2diu h GLU 67 Cb 0.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2diu h GLU 67 CO -0.63 0.07 -1.25 0.09 0.07 0.00 0.00 179.01 177.36 2diu n ASN 68 N -5.05 0.53 -4.06 3.06 4.13 0.53 -4.34 115.26 110.07 2diu n ASN 68 Ca 0.36 -0.14 -0.29 0.00 1.68 0.00 0.00 54.58 56.19 2diu n ASN 68 Cb 1.25 1.04 0.24 0.00 -1.54 0.00 0.00 39.78 40.77 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 -3.28 -1.30 -0.39 3.52 2.56 0.48 -4.90 118.70 115.38 2diu s GLU 69 Ca 0.01 0.30 0.01 0.00 0.00 0.00 0.00 54.97 55.29 2diu s GLU 69 Cb 0.14 -1.55 0.14 0.00 2.00 0.00 0.00 34.13 34.85 2diu s GLU 69 CO 0.83 -3.84 0.22 0.34 -0.56 0.00 0.00 175.26 172.25 2diu s ASP 70 N -3.29 3.36 0.29 -1.70 -1.08 -1.26 -3.38 116.67 109.62 2diu s ASP 70 Ca 0.69 -2.39 -0.02 0.00 -0.52 0.00 0.00 52.55 50.31 2diu s ASP 70 Cb -0.16 -0.74 0.64 0.00 -1.46 0.00 0.00 42.92 41.20 2diu s ASP 70 CO 0.59 -0.29 1.57 1.62 0.52 0.00 0.00 175.17 179.18 2diu h VAL 71 N 5.20 0.04 -0.56 1.11 3.04 -1.88 -3.40 116.25 119.80 2diu h VAL 71 Ca 0.01 -0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.89 2diu h VAL 71 Cb 0.95 0.03 -0.21 0.00 -2.01 0.00 0.00 31.29 30.05 2diu h VAL 71 CO 0.38 0.00 0.03 -0.36 -1.01 0.00 0.00 177.57 176.62 2diu s PHE 72 N -6.09 -0.83 0.00 3.17 0.08 -1.26 -4.93 117.98 108.11 2diu s PHE 72 Ca -0.14 0.92 0.00 0.00 0.12 0.00 0.00 56.93 57.84 2diu s PHE 72 Cb 0.28 0.31 0.00 0.00 -0.57 0.00 0.00 43.02 43.04 2diu s PHE 72 CO 0.78 -0.45 0.00 0.41 -0.10 0.00 0.00 175.22 175.86 2diu n GLY 73 N 5.43 -0.25 3.49 4.36 0.00 -1.26 -4.79 105.19 112.17 2diu n GLY 73 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.48 -0.62 0.00 1.61 2.47 -1.26 -5.16 114.94 110.51 2diu s ASN 74 Ca 0.00 0.58 -0.16 0.00 0.42 0.00 0.00 52.86 53.70 2diu s ASN 74 Cb 0.00 0.53 -0.06 0.00 -1.45 0.00 0.00 41.25 40.28 2diu s ASN 74 CO 0.00 -0.65 0.46 -0.60 -3.72 0.00 0.00 177.10 172.59 2diu s ARG 75 N -1.55 4.05 0.19 0.43 3.00 -1.26 -2.79 118.95 121.02 2diu s ARG 75 Ca -0.09 0.50 0.06 0.00 -1.00 0.00 0.00 55.73 55.19 2diu s ARG 75 Cb -0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 34.95 31.66 2diu s ARG 75 CO 0.07 0.61 0.16 0.96 0.00 0.00 0.00 175.30 177.09 2diu s ILE 76 N -0.87 4.49 -0.17 4.11 -4.36 -1.22 -4.83 121.20 118.36 2diu s ILE 76 Ca 0.25 -1.18 -0.01 0.00 -0.26 0.00 0.00 60.65 59.46 2diu s ILE 76 Cb -0.17 -3.33 -0.00 0.00 1.25 0.00 0.00 42.46 40.20 2diu s ILE 76 CO 0.14 -0.19 -0.13 -0.63 0.24 0.00 0.00 174.94 174.38 2diu s ILE 77 N -1.87 2.80 -0.22 8.37 1.01 -0.46 -4.22 121.20 126.63 2diu s ILE 77 Ca 0.32 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 2diu s ILE 77 Cb -0.09 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 2diu s ILE 77 CO 0.24 0.50 -0.01 -0.69 0.00 0.00 0.00 174.94 174.98 2diu s VAL 78 N 0.95 3.70 0.06 2.92 1.01 -1.26 0.85 120.40 128.63 2diu s VAL 78 Ca -0.02 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2diu s VAL 78 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2diu s VAL 78 CO -0.02 0.41 -0.13 -0.55 0.00 0.00 0.00 175.10 174.82 2diu s SER 79 N 1.31 1.52 0.19 3.32 0.15 0.67 -4.89 113.70 115.98 2diu s SER 79 Ca 0.04 -0.56 0.12 0.00 0.70 0.00 0.00 55.95 56.25 2diu s SER 79 Cb -0.15 -0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.05 2diu s SER 79 CO -0.00 -0.07 1.32 -0.26 1.20 0.00 0.00 173.24 175.43 2diu h PHE 80 N 4.50 0.00 -2.68 3.44 0.04 -1.87 0.22 116.94 120.60 2diu h PHE 80 Ca -0.39 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 59.81 2diu h PHE 80 Cb 1.19 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.27 2diu h PHE 80 CO 0.61 0.72 -0.57 0.95 -0.60 0.00 0.00 178.31 179.41 2diu s THR 81 N -2.85 4.41 0.62 -1.55 -4.23 -1.26 -4.74 115.64 106.04 2diu s THR 81 Ca 0.02 -1.14 -0.17 0.00 -1.18 0.00 0.00 61.69 59.23 2diu s THR 81 Cb 0.09 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 2diu s THR 81 CO 0.78 -0.12 1.12 -2.16 -0.54 0.00 0.00 174.62 173.69 2diu s PRO 82 N -3.14 3.00 0.62 3.99 0.04 -1.26 -4.88 135.00 133.37 2diu s PRO 82 Ca 0.31 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 2diu s PRO 82 Cb -0.10 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2diu s PRO 82 CO 0.23 -1.11 0.92 0.15 0.04 0.00 0.00 177.00 177.24 2diu s LYS 83 N -3.81 2.70 -0.70 4.56 -0.14 -1.26 -4.40 119.74 116.69 2diu s LYS 83 Ca 0.69 -0.12 -0.04 0.00 -1.36 0.00 0.00 55.97 55.14 2diu s LYS 83 Cb -0.22 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.68 2diu s LYS 83 CO 0.36 -0.85 0.61 -1.71 -0.76 0.00 0.00 175.35 173.00 2diu n ASN 84 N -2.66 -4.09 -2.27 2.83 5.15 -1.26 -4.96 115.26 108.00 2diu n ASN 84 Ca 0.06 -0.28 -0.20 0.00 -0.60 0.00 0.00 54.58 53.56 2diu n ASN 84 Cb 0.58 -2.86 0.02 0.00 -0.53 0.00 0.00 39.78 37.00 2diu n ASN 84 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2diu n ARG 85 N -2.82 3.15 -5.05 1.20 5.12 -1.26 -5.04 116.66 111.96 2diu n ARG 85 Ca -0.01 -4.07 -0.29 0.00 -1.93 0.00 0.00 57.85 51.55 2diu n ARG 85 Cb 0.54 -2.11 -0.16 0.00 -1.16 0.00 0.00 32.46 29.56 2diu n ARG 85 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2diu s GLU 86 N -3.60 2.09 -0.04 5.56 2.12 -1.26 -5.13 118.70 118.44 2diu s GLU 86 Ca 0.45 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 55.08 2diu s GLU 86 Cb 0.40 -1.83 -0.01 0.00 0.26 0.00 0.00 34.13 32.95 2diu s GLU 86 CO -0.01 0.34 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.34 2diu s LEU 87 N -0.14 1.98 -0.26 2.70 1.43 -1.26 -5.11 118.68 118.01 2diu s LEU 87 Ca -0.02 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 2diu s LEU 87 Cb -0.12 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2diu s LEU 87 CO 0.02 0.19 0.71 0.00 0.23 0.00 0.00 176.35 177.50 2diu s GLU 89 N 2.67 -0.01 0.03 0.00 2.02 -1.26 -5.15 118.70 117.00 2diu s GLU 89 Ca 0.29 0.23 0.06 0.00 0.02 0.00 0.00 54.97 55.57 2diu s GLU 89 Cb -0.15 -0.23 -0.02 0.00 0.10 0.00 0.00 34.13 33.82 2diu s GLU 89 CO 0.09 -0.17 -0.17 0.99 0.02 0.00 0.00 175.26 176.03 2diu s THR 90 N 1.10 1.32 -0.29 3.63 2.01 -1.26 -5.14 115.64 117.01 2diu s THR 90 Ca -0.09 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 2diu s THR 90 Cb -0.13 -1.16 0.15 0.00 0.01 0.00 0.00 72.50 71.37 2diu s THR 90 CO -0.04 0.14 1.03 -0.55 -0.69 0.00 0.00 174.62 174.51 2diu s SER 91 N -1.01 -0.44 0.00 3.53 0.15 -1.26 -5.18 113.70 109.49 2diu s SER 91 Ca 0.04 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2diu s SER 91 Cb -0.08 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2diu s SER 91 CO 0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2diu n GLY 92 N 3.32 1.10 3.67 9.45 0.00 -1.26 -5.13 105.19 116.34 2diu n GLY 92 Ca -0.17 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.70 4.23 -0.67 1.61 0.04 -1.26 -4.98 135.00 132.28 2diu s PRO 93 Ca 0.00 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 2diu s PRO 93 Cb 0.00 -3.75 0.17 0.00 0.04 0.00 0.00 34.50 30.96 2diu s PRO 93 CO 0.00 -0.70 0.47 -1.12 0.04 0.00 0.00 177.00 175.69 2diu s SER 94 N 2.44 5.13 0.24 6.66 0.01 -1.26 -5.06 113.70 121.86 2diu s SER 94 Ca 0.66 -3.18 0.04 0.00 1.31 0.00 0.00 55.95 54.78 2diu s SER 94 Cb -0.31 -1.80 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 2diu s SER 94 CO 0.26 -0.27 -0.00 -0.94 0.41 0.00 0.00 173.24 172.69 2diu s SER 95 N 0.06 1.93 0.00 2.44 1.04 -1.26 -5.35 113.70 112.56 2diu s SER 95 Ca 0.20 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2diu s SER 95 Cb -0.17 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2diu s SER 95 CO -0.06 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.27