#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 1.87 -4.91 1.61 3.41 -1.26 -4.94 113.62 109.39 2diu n SER 2 Ca 0.00 0.41 -0.29 0.00 -0.26 0.00 0.00 58.87 58.73 2diu n SER 2 Cb 0.00 -0.96 -0.04 0.00 -0.26 0.00 0.00 64.21 62.95 2diu n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2diu s SER 3 N -6.89 6.43 0.00 4.04 1.04 -1.26 -4.98 113.70 112.08 2diu s SER 3 Ca -0.29 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2diu s SER 3 Cb 0.06 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2diu s SER 3 CO 0.59 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.40 2diu n GLY 4 N -0.41 -1.41 3.07 7.32 0.00 -1.26 -5.10 105.19 107.40 2diu n GLY 4 Ca -0.04 0.43 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 2diu n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diu s SER 5 N 0.00 5.68 0.06 1.61 0.01 -1.26 -5.04 113.70 114.76 2diu s SER 5 Ca 0.00 -3.60 -0.07 0.00 1.31 0.00 0.00 55.95 53.59 2diu s SER 5 Cb 0.00 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 2diu s SER 5 CO 0.00 -0.20 0.14 -0.55 0.41 0.00 0.00 173.24 173.04 2diu s SER 6 N -0.22 0.17 0.00 2.44 0.15 -1.26 -5.15 113.70 109.83 2diu s SER 6 Ca 0.25 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2diu s SER 6 Cb -0.09 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2diu s SER 6 CO -0.12 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.31 2diu n GLY 7 N 0.32 -0.28 0.13 9.45 0.00 -1.26 -4.97 105.19 108.58 2diu n GLY 7 Ca -0.17 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.55 1.37 -0.17 0.00 0.09 -1.25 -4.64 115.29 108.14 2diu s HIS 9 Ca -0.23 1.26 -0.02 0.00 -0.00 0.00 0.00 55.06 56.06 2diu s HIS 9 Cb 0.07 -3.13 0.05 0.00 -0.00 0.00 0.00 32.58 29.58 2diu s HIS 9 CO 0.73 -3.77 0.01 0.99 -0.00 0.00 0.00 174.74 172.71 2diu s THR 10 N -2.48 0.64 0.05 1.30 2.01 0.41 -4.88 115.64 112.69 2diu s THR 10 Ca 0.68 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 2diu s THR 10 Cb -0.25 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 2diu s THR 10 CO 0.64 -0.06 0.34 -0.76 -0.69 0.00 0.00 174.62 174.09 2diu s LEU 11 N 1.82 4.35 0.19 4.42 1.43 -1.26 0.22 118.68 129.86 2diu s LEU 11 Ca 0.00 0.68 0.08 0.00 -1.03 0.00 0.00 54.13 53.86 2diu s LEU 11 Cb -0.16 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2diu s LEU 11 CO -0.07 0.20 -0.04 -0.76 0.23 0.00 0.00 176.35 175.91 2diu s LEU 12 N -1.89 3.16 -0.21 1.79 1.43 -0.76 -4.77 118.68 117.42 2diu s LEU 12 Ca 0.31 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2diu s LEU 12 Cb -0.14 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.33 2diu s LEU 12 CO 0.18 0.08 -0.10 -0.31 0.23 0.00 0.00 176.35 176.43 2diu s TYR 13 N -1.80 2.52 0.10 0.29 2.02 0.98 -1.63 117.35 119.84 2diu s TYR 13 Ca 0.27 -1.72 -0.08 0.00 -0.37 0.00 0.00 57.07 55.17 2diu s TYR 13 Cb -0.09 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.75 2diu s TYR 13 CO 0.17 -0.77 0.40 0.08 -1.57 0.00 0.00 175.55 173.86 2diu s VAL 14 N 1.36 5.12 0.24 0.71 1.01 0.24 -0.26 120.40 128.81 2diu s VAL 14 Ca -0.03 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2diu s VAL 14 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2diu s VAL 14 CO -0.07 0.19 0.18 -0.31 0.00 0.00 0.00 175.10 175.09 2diu s TYR 15 N -1.50 1.36 -1.15 5.22 1.51 0.13 -0.91 117.35 122.01 2diu s TYR 15 Ca 0.36 -1.47 -0.03 0.00 -1.01 0.00 0.00 57.07 54.92 2diu s TYR 15 Cb -0.13 -0.62 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2diu s TYR 15 CO 0.20 -0.71 0.94 0.09 -1.11 0.00 0.00 175.55 174.96 2diu n ASN 16 N -0.69 -3.73 -4.91 2.29 4.13 -0.90 -1.35 115.26 110.11 2diu n ASN 16 Ca 0.04 -0.68 -0.32 0.00 1.68 0.00 0.00 54.58 55.29 2diu n ASN 16 Cb 0.65 -5.03 -0.05 0.00 -1.54 0.00 0.00 39.78 33.81 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 -6.04 4.36 -1.06 3.41 1.43 -0.67 -4.32 118.68 115.79 2diu s LEU 17 Ca 0.18 0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 53.42 2diu s LEU 17 Cb -0.03 -2.83 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 2diu s LEU 17 CO 0.74 0.20 1.94 -2.16 0.23 0.00 0.00 176.35 177.31 2diu s PRO 18 N -2.20 2.51 0.28 1.29 0.04 -1.26 -4.74 135.00 130.92 2diu s PRO 18 Ca 0.32 -0.77 0.02 0.00 0.04 0.00 0.00 61.00 60.60 2diu s PRO 18 Cb -0.13 -5.16 0.66 0.00 0.04 0.00 0.00 34.50 29.91 2diu s PRO 18 CO 0.22 -3.72 1.70 0.00 0.04 0.00 0.00 177.00 175.24 2diu h ALA 19 N 10.43 1.32 -0.73 8.56 0.00 -1.95 0.93 119.26 137.83 2diu h ALA 19 Ca 0.16 0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.34 2diu h ALA 19 Cb 0.97 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2diu h ALA 19 CO 1.22 -0.32 0.35 -0.91 0.00 0.00 0.00 179.25 179.58 2diu h ASN 20 N 0.39 0.43 -2.52 0.00 4.21 -2.00 -3.39 115.58 112.69 2diu h ASN 20 Ca 0.52 0.07 -0.57 0.00 1.21 0.00 0.00 56.30 57.54 2diu h ASN 20 Cb 0.96 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.15 2diu h ASN 20 CO -0.51 0.23 1.27 -0.54 -1.29 0.00 0.00 177.43 176.58 2diu s LYS 21 N -6.04 3.54 -0.12 0.81 -0.14 0.32 -4.89 119.74 113.21 2diu s LYS 21 Ca -0.12 1.77 -0.39 0.00 -1.36 0.00 0.00 55.97 55.87 2diu s LYS 21 Cb 0.19 -4.18 -0.17 0.00 -1.68 0.00 0.00 37.83 32.00 2diu s LYS 21 CO 0.76 -1.62 1.52 -0.25 -0.76 0.00 0.00 175.35 175.00 2diu n ASP 22 N 9.66 1.82 -0.40 2.83 8.00 -1.26 -4.58 116.55 132.61 2diu n ASP 22 Ca 0.23 1.11 0.34 0.00 0.71 0.00 0.00 54.79 57.17 2diu n ASP 22 Cb 0.45 -1.13 0.56 0.00 -0.02 0.00 0.00 41.12 40.98 2diu n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2diu n GLY 23 N 3.28 -0.69 0.32 0.44 0.00 -1.26 0.18 105.19 107.46 2diu n GLY 23 Ca 0.23 0.61 -0.02 0.00 0.00 0.00 0.00 46.02 46.83 2diu n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2diu h LYS 24 N 0.00 -0.08 -0.05 1.61 1.79 -1.99 0.41 116.57 118.25 2diu h LYS 24 Ca 0.72 0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 59.03 2diu h LYS 24 Cb 2.38 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 33.06 2diu h LYS 24 CO -0.33 -0.06 -0.62 1.03 -1.08 0.00 0.00 179.45 178.39 2diu h SER 25 N -0.09 0.64 0.00 0.86 0.87 -0.59 -3.07 113.55 112.16 2diu h SER 25 Ca 0.29 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2diu h SER 25 Cb 0.55 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2diu h SER 25 CO -0.74 1.24 0.00 0.52 -0.53 0.00 0.00 176.83 177.32 2diu n VAL 26 N -4.17 0.00 -0.34 2.23 0.31 -0.55 -0.55 118.33 115.27 2diu n VAL 26 Ca -0.09 1.37 0.29 0.00 -0.01 0.00 0.00 64.34 65.90 2diu n VAL 26 Cb 0.67 -2.28 0.55 0.00 -0.91 0.00 0.00 33.84 31.88 2diu n VAL 26 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2diu h SER 27 N 0.00 0.39 -0.62 4.52 0.87 -0.40 1.14 113.55 119.45 2diu h SER 27 Ca 0.00 0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 2diu h SER 27 Cb 0.00 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2diu h SER 27 CO 0.00 -0.27 0.05 0.78 -0.53 0.00 0.00 176.83 176.85 2diu h ASN 28 N 0.15 1.04 -0.60 6.23 4.21 -1.39 0.37 115.58 125.59 2diu h ASN 28 Ca 0.80 -0.28 -0.07 0.00 1.21 0.00 0.00 56.30 57.96 2diu h ASN 28 Cb 2.06 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 38.95 2diu h ASN 28 CO -0.65 1.07 0.10 -0.09 -1.29 0.00 0.00 177.43 176.57 2diu h ARG 29 N 0.99 0.99 0.03 0.81 9.65 0.39 -3.00 114.38 124.25 2diu h ARG 29 Ca 0.19 -0.27 -0.23 0.00 -1.10 0.00 0.00 59.98 58.57 2diu h ARG 29 Cb 0.51 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2diu h ARG 29 CO 0.02 0.94 -1.01 -0.07 2.80 0.00 0.00 179.97 182.65 2diu h LEU 30 N 0.90 0.46 -0.73 3.80 4.07 -1.07 -3.27 115.31 119.47 2diu h LEU 30 Ca 0.18 -0.40 0.16 0.00 0.08 0.00 0.00 57.88 57.90 2diu h LEU 30 Cb 0.42 -0.14 -0.11 0.00 1.08 0.00 0.00 40.66 41.91 2diu h LEU 30 CO 0.01 1.22 0.19 0.03 -1.08 0.00 0.00 178.44 178.82 2diu h ARG 31 N 0.17 0.28 -0.58 1.13 3.08 -0.13 0.18 114.38 118.51 2diu h ARG 31 Ca -0.09 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2diu h ARG 31 Cb 1.67 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.63 2diu h ARG 31 CO 0.17 0.18 0.11 0.00 -1.07 0.00 0.00 179.97 179.37 2diu h ARG 32 N 0.29 0.94 0.00 0.04 2.47 -1.60 0.45 114.38 116.96 2diu h ARG 32 Ca 0.41 -0.24 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 2diu h ARG 32 Cb 0.69 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2diu h ARG 32 CO -0.49 0.89 -0.13 -0.07 0.56 0.00 0.00 179.97 180.72 2diu h LEU 33 N 0.84 0.00 0.02 3.04 3.38 -1.05 -2.62 115.31 118.91 2diu h LEU 33 Ca 0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.83 2diu h LEU 33 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2diu h LEU 33 CO 0.01 0.13 -1.92 -0.24 0.09 0.00 0.00 178.44 176.51 2diu n SER 34 N -3.47 0.88 0.23 -0.43 2.88 0.44 -2.93 113.62 111.22 2diu n SER 34 Ca -0.01 0.28 0.09 0.00 -1.33 0.00 0.00 58.87 57.90 2diu n SER 34 Cb 0.29 0.05 0.57 0.00 -0.75 0.00 0.00 64.21 64.37 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 0.01 0.00 0.19 -3.46 3.58 0.13 0.89 116.42 117.76 2diu h ASP 35 Ca -0.37 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.73 2diu h ASP 35 Cb 2.06 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.08 2diu h ASP 35 CO 0.06 0.21 -2.03 -3.20 -2.88 0.00 0.00 179.24 171.41 2diu n ASN 36 N -3.77 1.66 0.00 2.28 2.85 -1.01 -4.00 115.26 113.26 2diu n ASN 36 Ca -0.02 0.19 0.14 0.00 -0.11 0.00 0.00 54.58 54.79 2diu n ASN 36 Cb 0.32 -0.48 0.77 0.00 1.24 0.00 0.00 39.78 41.63 2diu n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2diu n GLY 38 N 0.94 0.57 2.67 0.00 0.00 -0.38 -4.51 105.19 104.48 2diu n GLY 38 Ca 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.40 1.62 3.09 -0.02 0.00 0.30 -4.13 105.19 104.65 2diu n GLY 39 Ca -0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.24 0.27 -0.69 1.61 2.20 -0.88 -4.03 119.74 115.98 2diu s LYS 40 Ca 0.15 0.80 -0.26 0.00 -0.36 0.00 0.00 55.97 56.31 2diu s LYS 40 Cb -0.03 -0.03 -0.12 0.00 -1.51 0.00 0.00 37.83 36.15 2diu s LYS 40 CO 0.11 -0.37 2.42 1.55 -0.36 0.00 0.00 175.35 178.70 2diu n VAL 41 N 5.37 -0.03 -0.01 4.02 3.14 -1.26 -1.26 118.33 128.30 2diu n VAL 41 Ca -0.07 -0.61 -0.10 0.00 -2.96 0.00 0.00 64.34 60.60 2diu n VAL 41 Cb 0.50 -2.24 -0.04 0.00 -1.06 0.00 0.00 33.84 30.99 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 21.33 -1.02 -7.83 6.55 3.38 -0.69 -3.46 115.31 133.57 2diu h LEU 42 Ca -0.09 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2diu h LEU 42 Cb 1.10 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 2diu h LEU 42 CO 1.07 -0.36 0.24 -0.44 0.09 0.00 0.00 178.44 179.04 2diu s SER 43 N -4.93 -0.30 -0.28 -0.43 0.01 -1.05 -5.03 113.70 101.68 2diu s SER 43 Ca -0.15 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 2diu s SER 43 Cb 0.11 0.70 0.09 0.00 0.21 0.00 0.00 66.02 67.13 2diu s SER 43 CO 0.66 -1.27 0.10 -0.63 0.41 0.00 0.00 173.24 172.51 2diu s ILE 44 N -3.86 0.54 -0.13 1.44 1.01 -1.26 -1.02 121.20 117.91 2diu s ILE 44 Ca 0.10 -1.07 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 2diu s ILE 44 Cb -0.05 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2diu s ILE 44 CO 0.04 -0.62 0.07 0.42 0.00 0.00 0.00 174.94 174.86 2diu s THR 45 N 1.80 4.93 0.00 2.92 -4.23 -0.17 -4.96 115.64 115.93 2diu s THR 45 Ca 0.08 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2diu s THR 45 Cb -0.17 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.52 2diu s THR 45 CO -0.26 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 2diu n GLY 46 N 2.55 1.84 0.92 3.99 0.00 -1.26 -0.12 105.19 113.12 2diu n GLY 46 Ca -0.18 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.36 1.97 0.19 0.00 1.04 0.84 -1.66 113.70 115.71 2diu s SER 48 Ca 0.19 -1.14 -0.06 0.00 0.48 0.00 0.00 55.95 55.42 2diu s SER 48 Cb 0.14 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2diu s SER 48 CO 0.06 -0.42 0.24 0.00 0.98 0.00 0.00 173.24 174.11 2diu s ALA 49 N -3.32 0.49 -0.03 5.32 0.00 -0.09 -1.00 121.76 123.13 2diu s ALA 49 Ca 0.25 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2diu s ALA 49 Cb 0.04 1.10 0.03 0.00 0.00 0.00 0.00 23.12 24.29 2diu s ALA 49 CO 0.06 -0.65 0.00 0.42 0.00 0.00 0.00 175.76 175.60 2diu s ILE 50 N -4.06 0.19 0.36 0.00 1.01 -0.19 -0.59 121.20 117.91 2diu s ILE 50 Ca 0.27 0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.11 2diu s ILE 50 Cb 0.04 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.17 2diu s ILE 50 CO 0.07 0.16 0.10 -0.76 0.00 0.00 0.00 174.94 174.51 2diu s LEU 51 N 1.19 3.12 -0.19 2.97 1.02 -0.65 0.04 118.68 126.19 2diu s LEU 51 Ca -0.07 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.15 2diu s LEU 51 Cb -0.13 -1.51 0.05 0.00 0.02 0.00 0.00 46.19 44.61 2diu s LEU 51 CO -0.02 -0.33 -0.06 -0.60 0.02 0.00 0.00 176.35 175.35 2diu s ARG 52 N -3.81 1.62 0.11 1.70 6.06 -0.39 -1.83 118.95 122.41 2diu s ARG 52 Ca 0.37 -0.72 0.06 0.00 -2.50 0.00 0.00 55.73 52.94 2diu s ARG 52 Cb 0.00 -2.27 -0.04 0.00 0.06 0.00 0.00 34.95 32.70 2diu s ARG 52 CO 0.21 -0.48 -0.03 -0.06 -2.50 0.00 0.00 175.30 172.45 2diu s PHE 53 N 1.52 2.90 0.11 5.12 0.40 0.13 -2.08 117.98 126.08 2diu s PHE 53 Ca -0.01 -0.08 -0.21 0.00 -0.60 0.00 0.00 56.93 56.03 2diu s PHE 53 Cb -0.16 -1.48 -0.09 0.00 0.51 0.00 0.00 43.02 41.79 2diu s PHE 53 CO -0.08 0.47 1.74 0.97 0.70 0.00 0.00 175.22 179.03 2diu h ILE 54 N 2.93 1.06 -4.52 0.64 2.10 -1.82 0.12 117.51 118.01 2diu h ILE 54 Ca -0.48 -0.14 -0.28 0.00 1.08 0.00 0.00 64.86 65.04 2diu h ILE 54 Cb 1.17 0.88 -0.13 0.00 -1.09 0.00 0.00 36.82 37.65 2diu h ILE 54 CO 0.57 0.05 -0.49 0.20 -1.08 0.00 0.00 178.15 177.40 2diu s ASN 55 N -5.36 0.58 0.09 2.19 0.01 -1.26 -3.94 114.94 107.25 2diu s ASN 55 Ca -0.13 -1.44 -0.35 0.00 -0.71 0.00 0.00 52.86 50.22 2diu s ASN 55 Cb 0.08 0.47 -0.16 0.00 0.41 0.00 0.00 41.25 42.05 2diu s ASN 55 CO 0.69 -0.97 1.56 -0.61 -1.51 0.00 0.00 177.10 176.26 2diu h GLN 56 N 2.41 -0.86 0.00 -0.60 5.75 -1.89 -2.36 115.11 117.55 2diu h GLN 56 Ca -0.31 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2diu h GLN 56 Cb 1.24 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.99 2diu h GLN 56 CO 0.46 -0.58 0.00 -3.47 -2.65 0.00 0.00 178.83 172.59 2diu n ASP 57 N -5.53 0.00 -0.33 -0.69 -0.08 -1.26 0.43 116.55 109.10 2diu n ASP 57 Ca -0.10 0.90 0.25 0.00 -1.51 0.00 0.00 54.79 54.33 2diu n ASP 57 Cb 0.44 -0.44 0.48 0.00 2.34 0.00 0.00 41.12 43.94 2diu n ASP 57 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2diu h SER 58 N 0.00 0.27 -0.42 1.67 0.02 -1.83 0.72 113.55 113.98 2diu h SER 58 Ca 0.00 0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2diu h SER 58 Cb 0.00 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2diu h SER 58 CO 0.00 -0.28 -0.00 0.00 -1.14 0.00 0.00 176.83 175.40 2diu h ALA 59 N 1.92 0.57 0.08 3.77 0.00 0.53 -3.27 119.26 122.86 2diu h ALA 59 Ca 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2diu h ALA 59 Cb 1.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2diu h ALA 59 CO -0.71 0.36 -0.18 0.93 0.00 0.00 0.00 179.25 179.65 2diu h GLU 60 N 0.59 -0.27 -1.03 0.00 5.08 0.46 0.19 114.58 119.60 2diu h GLU 60 Ca 0.12 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.87 2diu h GLU 60 Cb 0.49 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 2diu h GLU 60 CO 0.02 -0.18 0.65 0.54 -1.00 0.00 0.00 179.01 179.04 2diu n ARG 61 N -3.45 -0.03 0.06 2.33 1.74 -0.99 0.20 116.66 116.51 2diu n ARG 61 Ca -0.03 1.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.85 2diu n ARG 61 Cb 0.15 -1.94 -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 1.31 -0.09 0.00 7.54 0.00 -1.31 -2.10 119.26 124.61 2diu h ALA 62 Ca 0.69 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2diu h ALA 62 Cb 2.15 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 20.03 2diu h ALA 62 CO -0.41 0.40 -0.10 0.37 0.00 0.00 0.00 179.25 179.51 2diu h GLN 63 N -0.30 0.00 0.00 0.00 -0.00 0.53 0.25 115.11 115.58 2diu h GLN 63 Ca -0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.38 2diu h GLN 63 Cb 1.66 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.12 2diu h GLN 63 CO 0.16 0.10 -1.39 0.36 0.00 0.00 0.00 178.83 178.06 2diu n LYS 64 N -3.47 0.62 -0.04 1.69 -0.00 0.16 -3.65 118.16 113.47 2diu n LYS 64 Ca -0.01 0.16 -0.03 0.00 -0.00 0.00 0.00 58.31 58.43 2diu n LYS 64 Cb 0.25 -1.78 -0.01 0.00 -0.00 0.00 0.00 35.03 33.49 2diu n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2diu n ARG 65 N -2.79 0.26 -0.27 -1.58 3.00 -0.79 -4.33 116.66 110.16 2diu n ARG 65 Ca -0.08 0.40 0.08 0.00 -0.00 0.00 0.00 57.85 58.25 2diu n ARG 65 Cb 0.76 -1.29 0.21 0.00 0.00 0.00 0.00 32.46 32.14 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 -0.58 0.22 -1.06 -0.14 2.86 -0.76 0.18 114.93 115.64 2diu h MET 66 Ca 0.00 -0.01 0.40 0.00 -2.06 0.00 0.00 59.70 58.03 2diu h MET 66 Cb 0.30 -0.05 -0.16 0.00 0.06 0.00 0.00 31.60 31.75 2diu h MET 66 CO 0.00 0.14 0.61 1.05 1.06 0.00 0.00 176.91 179.77 2diu h GLU 67 N 0.22 0.09 0.00 1.72 4.11 -1.69 0.56 114.58 119.59 2diu h GLU 67 Ca 0.46 -0.01 -0.31 0.00 0.07 0.00 0.00 59.36 59.57 2diu h GLU 67 Cb 0.83 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 2diu h GLU 67 CO -0.58 0.06 -1.88 0.09 0.07 0.00 0.00 179.01 176.77 2diu n ASN 68 N -5.11 0.69 -4.57 3.06 4.13 0.44 -4.27 115.26 109.64 2diu n ASN 68 Ca 0.37 0.31 -0.41 0.00 1.68 0.00 0.00 54.58 56.53 2diu n ASN 68 Cb 1.25 0.17 0.02 0.00 -1.54 0.00 0.00 39.78 39.68 2diu n ASN 68 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2diu n GLU 69 N -2.98 1.07 -3.61 3.52 0.00 0.20 -4.77 120.64 114.06 2diu n GLU 69 Ca -0.21 0.39 -0.38 0.00 0.00 0.00 0.00 57.16 56.96 2diu n GLU 69 Cb 1.08 -1.92 -0.07 0.00 0.00 0.00 0.00 31.44 30.53 2diu n GLU 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2diu s ASP 70 N -0.87 5.87 0.19 4.31 -1.08 -1.26 -3.10 116.67 120.73 2diu s ASP 70 Ca 0.65 -3.23 -0.11 0.00 -0.52 0.00 0.00 52.55 49.35 2diu s ASP 70 Cb -0.55 -1.95 0.25 0.00 -1.46 0.00 0.00 42.92 39.22 2diu s ASP 70 CO 0.56 -0.32 1.19 0.55 0.52 0.00 0.00 175.17 177.67 2diu n VAL 71 N 3.04 -0.37 -3.15 1.11 3.14 -1.17 -4.33 118.33 116.60 2diu n VAL 71 Ca 0.15 1.78 0.05 0.00 -2.96 0.00 0.00 64.34 63.36 2diu n VAL 71 Cb 0.39 -2.40 -0.01 0.00 -1.06 0.00 0.00 33.84 30.76 2diu n VAL 71 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2diu s PHE 72 N -5.82 -1.07 -0.12 1.45 0.08 -1.26 -4.94 117.98 106.30 2diu s PHE 72 Ca -0.11 0.99 0.00 0.00 0.12 0.00 0.00 56.93 57.93 2diu s PHE 72 Cb 0.18 0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.95 2diu s PHE 72 CO 0.57 -0.60 0.00 0.41 -0.10 0.00 0.00 175.22 175.50 2diu n GLY 73 N 5.40 -0.48 3.60 4.36 0.00 -1.26 -4.83 105.19 111.98 2diu n GLY 73 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.98 -0.63 -0.04 1.61 2.47 -1.26 -5.15 114.94 109.97 2diu s ASN 74 Ca 0.00 1.06 -0.25 0.00 0.42 0.00 0.00 52.86 54.09 2diu s ASN 74 Cb 0.00 1.02 -0.04 0.00 -1.45 0.00 0.00 41.25 40.78 2diu s ASN 74 CO 0.00 -0.31 0.76 -0.13 -3.72 0.00 0.00 177.10 173.70 2diu s ARG 75 N -0.14 4.47 0.18 0.43 0.52 -1.26 -3.03 118.95 120.12 2diu s ARG 75 Ca -0.02 1.01 0.03 0.00 -0.52 0.00 0.00 55.73 56.24 2diu s ARG 75 Cb -0.03 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 2diu s ARG 75 CO 0.01 0.08 0.31 0.96 0.02 0.00 0.00 175.30 176.69 2diu s ILE 76 N 0.70 5.30 0.03 1.52 -4.36 -1.18 -4.84 121.20 118.38 2diu s ILE 76 Ca 0.40 -0.78 0.07 0.00 -0.26 0.00 0.00 60.65 60.08 2diu s ILE 76 Cb -0.19 -3.78 -0.03 0.00 1.25 0.00 0.00 42.46 39.71 2diu s ILE 76 CO 0.21 -0.18 -0.18 -0.63 0.24 0.00 0.00 174.94 174.40 2diu s ILE 77 N -1.83 2.81 -0.10 8.37 1.01 -0.46 -4.29 121.20 126.71 2diu s ILE 77 Ca 0.34 -1.15 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 2diu s ILE 77 Cb -0.10 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.21 2diu s ILE 77 CO 0.29 0.35 -0.07 -0.69 0.00 0.00 0.00 174.94 174.82 2diu s VAL 78 N -0.91 0.95 0.05 2.92 1.01 -1.26 0.21 120.40 123.37 2diu s VAL 78 Ca 0.14 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2diu s VAL 78 Cb -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2diu s VAL 78 CO 0.05 0.35 -0.11 -0.55 0.00 0.00 0.00 175.10 174.84 2diu s SER 79 N 1.60 1.27 0.26 3.32 0.15 0.64 -4.92 113.70 116.02 2diu s SER 79 Ca 0.02 -0.51 0.14 0.00 0.70 0.00 0.00 55.95 56.30 2diu s SER 79 Cb -0.13 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2diu s SER 79 CO -0.06 -0.09 1.43 -0.26 1.20 0.00 0.00 173.24 175.45 2diu h PHE 80 N 4.66 0.00 -2.42 3.44 -1.00 -1.86 0.28 116.94 120.04 2diu h PHE 80 Ca -0.37 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 59.86 2diu h PHE 80 Cb 1.19 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.68 2diu h PHE 80 CO 0.60 0.55 -0.59 0.95 -1.61 0.00 0.00 178.31 178.21 2diu s THR 81 N -2.93 4.05 0.70 -1.55 -4.23 -1.26 -4.72 115.64 105.69 2diu s THR 81 Ca 0.04 -1.49 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 2diu s THR 81 Cb 0.08 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.80 2diu s THR 81 CO 0.75 -0.27 1.10 -2.16 -0.54 0.00 0.00 174.62 173.51 2diu s PRO 82 N -3.50 2.62 -0.61 3.99 0.04 -1.26 -4.87 135.00 131.41 2diu s PRO 82 Ca 0.31 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2diu s PRO 82 Cb -0.08 -1.93 0.24 0.00 0.04 0.00 0.00 34.50 32.77 2diu s PRO 82 CO 0.22 -1.38 0.69 1.63 0.04 0.00 0.00 177.00 178.21 2diu n LYS 83 N -2.77 2.23 -1.26 4.56 5.02 -1.26 -4.99 118.16 119.70 2diu n LYS 83 Ca 0.10 -4.47 -0.37 0.00 -2.02 0.00 0.00 58.31 51.54 2diu n LYS 83 Cb 0.52 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 2diu n LYS 83 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2diu n ASN 84 N 1.03 4.89 -2.70 4.39 2.85 -1.26 -4.55 115.26 119.92 2diu n ASN 84 Ca 0.28 -2.62 -0.15 0.00 -0.11 0.00 0.00 54.58 51.98 2diu n ASN 84 Cb 0.42 -1.37 -0.03 0.00 1.24 0.00 0.00 39.78 40.04 2diu n ASN 84 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2diu n ARG 85 N 5.31 -1.45 -4.76 1.20 -4.01 -1.26 -4.83 116.66 106.86 2diu n ARG 85 Ca 0.56 0.05 -0.31 0.00 -1.04 0.00 0.00 57.85 57.11 2diu n ARG 85 Cb 0.30 -2.93 -0.17 0.00 -3.04 0.00 0.00 32.46 26.62 2diu n ARG 85 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 2diu s GLU 86 N -4.18 2.75 -0.45 2.89 2.56 -1.26 -5.10 118.70 115.92 2diu s GLU 86 Ca 0.30 -0.76 -0.13 0.00 0.00 0.00 0.00 54.97 54.38 2diu s GLU 86 Cb -0.17 -2.20 0.08 0.00 2.00 0.00 0.00 34.13 33.83 2diu s GLU 86 CO 0.37 0.03 0.34 -0.51 -0.56 0.00 0.00 175.26 174.92 2diu s LEU 87 N 0.73 5.44 -0.18 2.70 1.02 -1.26 -5.00 118.68 122.13 2diu s LEU 87 Ca -0.10 -1.44 -0.02 0.00 0.02 0.00 0.00 54.13 52.59 2diu s LEU 87 Cb -0.16 -2.09 -0.01 0.00 0.02 0.00 0.00 46.19 43.95 2diu s LEU 87 CO 0.01 -0.61 -0.09 0.00 0.02 0.00 0.00 176.35 175.68 2diu n GLU 89 N 4.20 0.00 -4.24 0.00 1.02 -1.26 -5.08 120.64 115.27 2diu n GLU 89 Ca -0.18 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.61 2diu n GLU 89 Cb 0.52 -0.25 -0.09 0.00 -0.02 0.00 0.00 31.44 31.59 2diu n GLU 89 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2diu s THR 90 N -2.00 4.52 -0.33 2.62 -4.23 -1.26 -5.08 115.64 109.87 2diu s THR 90 Ca 0.00 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.15 2diu s THR 90 Cb 0.00 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 2diu s THR 90 CO 0.00 0.57 0.61 -0.55 -0.54 0.00 0.00 174.62 174.71 2diu s SER 91 N -0.53 6.43 0.00 3.99 0.15 -1.26 -4.67 113.70 117.81 2diu s SER 91 Ca 0.10 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2diu s SER 91 Cb -0.12 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2diu s SER 91 CO 0.02 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2diu n GLY 92 N 4.60 0.83 0.25 9.45 0.00 -1.26 -5.04 105.19 114.02 2diu n GLY 92 Ca -0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2diu n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diu h PRO 93 N 0.00 0.76 -6.37 1.61 0.13 -2.06 -3.43 132.00 122.64 2diu h PRO 93 Ca 0.00 -0.40 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 2diu h PRO 93 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2diu h PRO 93 CO 0.00 1.03 0.80 -1.54 -0.23 0.00 0.00 178.00 178.06 2diu s SER 94 N -6.85 6.89 0.05 1.44 1.04 -1.26 -5.02 113.70 109.99 2diu s SER 94 Ca -0.09 2.07 0.09 0.00 0.48 0.00 0.00 55.95 58.50 2diu s SER 94 Cb 0.12 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2diu s SER 94 CO 0.86 -0.69 -0.25 -0.55 0.98 0.00 0.00 173.24 173.59 2diu s SER 95 N 1.76 3.03 0.00 7.02 0.15 -1.26 -5.22 113.70 119.18 2diu s SER 95 Ca 0.62 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2diu s SER 95 Cb -0.31 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2diu s SER 95 CO 0.26 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.54