#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 -4.07 -4.42 1.61 2.88 -1.26 -4.96 113.62 103.40 2diu n SER 2 Ca 0.00 -0.42 -0.44 0.00 -1.33 0.00 0.00 58.87 56.68 2diu n SER 2 Cb 0.00 -3.91 -0.04 0.00 -0.75 0.00 0.00 64.21 59.52 2diu n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2diu s SER 3 N -3.53 6.24 0.55 -3.46 0.01 -1.26 -5.04 113.70 107.22 2diu s SER 3 Ca 0.28 -1.30 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 2diu s SER 3 Cb -0.12 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.76 2diu s SER 3 CO 0.54 -1.26 0.81 -0.83 0.41 0.00 0.00 173.24 172.91 2diu s GLY 4 N 3.63 1.65 -0.19 3.44 0.00 -1.26 -5.07 107.32 109.52 2diu s GLY 4 Ca 0.19 -0.97 -0.15 0.00 0.00 0.00 0.00 44.72 43.79 2diu s GLY 4 CO 0.06 -0.71 0.37 -0.45 0.00 0.00 0.00 173.10 172.38 2diu s SER 5 N -4.33 6.43 -0.37 1.64 0.15 -1.26 -5.00 113.70 110.97 2diu s SER 5 Ca 0.53 0.51 -0.44 0.00 0.70 0.00 0.00 55.95 57.25 2diu s SER 5 Cb -0.10 -2.22 -0.19 0.00 -1.71 0.00 0.00 66.02 61.79 2diu s SER 5 CO 0.41 -0.03 1.43 -1.20 1.20 0.00 0.00 173.24 175.05 2diu n SER 6 N 4.26 0.89 -0.62 5.45 7.64 -1.26 -4.89 113.62 125.09 2diu n SER 6 Ca -0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2diu n SER 6 Cb 0.51 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2diu n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2diu n GLY 7 N 3.29 3.24 3.75 0.23 0.00 -1.26 -5.14 105.19 109.31 2diu n GLY 7 Ca 0.28 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.32 1.05 -0.25 0.00 0.09 -1.25 -4.50 115.29 110.11 2diu s HIS 9 Ca 0.55 -0.69 0.02 0.00 -0.00 0.00 0.00 55.06 54.94 2diu s HIS 9 Cb -0.40 -0.57 0.06 0.00 -0.00 0.00 0.00 32.58 31.67 2diu s HIS 9 CO 0.45 -0.01 -0.10 0.99 -0.00 0.00 0.00 174.74 176.06 2diu s THR 10 N -2.65 2.01 0.20 1.30 2.01 0.35 -4.92 115.64 113.94 2diu s THR 10 Ca 0.07 -1.49 -0.12 0.00 0.31 0.00 0.00 61.69 60.45 2diu s THR 10 Cb -0.01 -2.14 -0.07 0.00 0.01 0.00 0.00 72.50 70.29 2diu s THR 10 CO -0.01 -0.01 0.56 -0.76 -0.69 0.00 0.00 174.62 173.72 2diu s LEU 11 N 1.18 4.24 -0.02 4.42 1.43 -1.26 -0.97 118.68 127.70 2diu s LEU 11 Ca -0.07 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 2diu s LEU 11 Cb -0.19 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2diu s LEU 11 CO -0.06 -0.00 -0.14 -0.76 0.23 0.00 0.00 176.35 175.63 2diu s LEU 12 N -2.43 2.79 -0.36 1.79 1.43 -0.89 -4.76 118.68 116.26 2diu s LEU 12 Ca 0.43 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2diu s LEU 12 Cb -0.13 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.57 2diu s LEU 12 CO 0.20 0.32 0.12 -0.31 0.23 0.00 0.00 176.35 176.91 2diu s TYR 13 N -0.81 3.39 0.13 0.29 2.02 0.14 -1.94 117.35 120.56 2diu s TYR 13 Ca 0.13 -1.96 -0.08 0.00 -0.37 0.00 0.00 57.07 54.78 2diu s TYR 13 Cb -0.11 -2.62 -0.06 0.00 -0.40 0.00 0.00 41.96 38.77 2diu s TYR 13 CO 0.03 -0.86 0.43 0.08 -1.57 0.00 0.00 175.55 173.65 2diu s VAL 14 N 1.25 5.08 0.26 0.71 1.01 0.10 -0.09 120.40 128.72 2diu s VAL 14 Ca 0.01 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2diu s VAL 14 Cb -0.21 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2diu s VAL 14 CO -0.01 0.14 0.21 -0.31 0.00 0.00 0.00 175.10 175.13 2diu s TYR 15 N -1.56 1.39 -1.31 5.22 1.51 0.12 -1.35 117.35 121.37 2diu s TYR 15 Ca 0.38 -1.48 -0.04 0.00 -1.01 0.00 0.00 57.07 54.92 2diu s TYR 15 Cb -0.13 -0.59 0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2diu s TYR 15 CO 0.21 -0.76 1.01 0.09 -1.11 0.00 0.00 175.55 174.99 2diu n ASN 16 N -0.83 -3.59 -4.89 2.29 5.03 -0.54 -1.07 115.26 111.66 2diu n ASN 16 Ca 0.04 -0.65 -0.29 0.00 0.87 0.00 0.00 54.58 54.56 2diu n ASN 16 Cb 0.64 -4.78 -0.02 0.00 -1.02 0.00 0.00 39.78 34.60 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2diu s LEU 17 N -6.82 3.86 -0.63 3.41 1.43 0.39 -4.35 118.68 115.97 2diu s LEU 17 Ca 0.26 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 54.04 2diu s LEU 17 Cb -0.12 -3.82 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 2diu s LEU 17 CO 0.76 -0.37 1.87 -2.16 0.23 0.00 0.00 176.35 176.67 2diu s PRO 18 N -3.97 2.62 0.03 1.29 0.04 -1.26 -4.72 135.00 129.04 2diu s PRO 18 Ca 0.48 0.55 -0.23 0.00 0.04 0.00 0.00 61.00 61.84 2diu s PRO 18 Cb -0.10 -4.43 -0.15 0.00 0.04 0.00 0.00 34.50 29.85 2diu s PRO 18 CO 0.34 -2.78 1.41 0.00 0.04 0.00 0.00 177.00 176.02 2diu h ALA 19 N 14.73 0.13 -0.92 8.56 0.00 -1.94 -3.11 119.26 136.72 2diu h ALA 19 Ca -0.24 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.61 2diu h ALA 19 Cb 1.15 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 2diu h ALA 19 CO 1.22 -0.14 0.52 -2.95 0.00 0.00 0.00 179.25 177.89 2diu h ASN 20 N -0.15 0.66 -2.71 0.00 7.08 -2.01 -3.39 115.58 115.05 2diu h ASN 20 Ca 0.02 0.09 -0.57 0.00 -3.08 0.00 0.00 56.30 52.76 2diu h ASN 20 Cb 0.43 -0.03 -0.03 0.00 -2.08 0.00 0.00 38.32 36.62 2diu h ASN 20 CO 0.01 0.27 1.19 -0.54 -2.08 0.00 0.00 177.43 176.29 2diu s LYS 21 N -5.94 3.62 -0.02 4.14 -0.14 -1.17 -4.88 119.74 115.35 2diu s LYS 21 Ca -0.12 1.60 -0.29 0.00 -1.36 0.00 0.00 55.97 55.80 2diu s LYS 21 Cb 0.23 -4.11 -0.14 0.00 -1.68 0.00 0.00 37.83 32.13 2diu s LYS 21 CO 0.79 -1.51 0.79 -0.40 -0.76 0.00 0.00 175.35 174.26 2diu n ASP 22 N 9.17 0.04 -0.30 2.83 5.75 -1.26 -4.60 116.55 128.17 2diu n ASP 22 Ca 0.21 0.84 0.16 0.00 -0.01 0.00 0.00 54.79 55.98 2diu n ASP 22 Cb 0.46 -0.66 0.42 0.00 -1.03 0.00 0.00 41.12 40.31 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2diu h GLY 23 N 2.24 1.27 0.45 6.12 0.00 -1.88 -0.33 103.07 110.94 2diu h GLY 23 Ca -0.36 -0.27 0.10 0.00 0.00 0.00 0.00 47.33 46.80 2diu h GLY 23 CO 0.48 -0.02 0.38 0.50 0.00 0.00 0.00 176.54 177.88 2diu h LYS 24 N 0.58 0.61 -0.09 4.80 6.56 -2.01 0.16 116.57 127.19 2diu h LYS 24 Ca 0.52 -0.04 -0.16 0.00 -1.06 0.00 0.00 60.65 59.91 2diu h LYS 24 Cb 1.04 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 2diu h LYS 24 CO -0.26 0.40 -0.64 1.03 -2.06 0.00 0.00 179.45 177.92 2diu h SER 25 N 0.63 0.38 0.44 0.86 0.87 -1.40 -3.19 113.55 112.14 2diu h SER 25 Ca 0.37 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2diu h SER 25 Cb 0.40 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2diu h SER 25 CO -0.28 0.92 -0.21 0.58 -0.53 0.00 0.00 176.83 177.31 2diu h VAL 26 N 0.24 0.00 -1.30 2.23 2.07 -0.58 -2.65 116.25 116.26 2diu h VAL 26 Ca -0.01 -0.14 0.43 0.00 0.82 0.00 0.00 66.70 67.80 2diu h VAL 26 Cb 1.17 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.81 2diu h VAL 26 CO 0.11 0.00 0.83 0.28 0.02 0.00 0.00 177.57 178.81 2diu h SER 27 N -0.73 0.25 0.61 0.57 0.02 -1.13 0.10 113.55 113.24 2diu h SER 27 Ca -0.06 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2diu h SER 27 Cb 0.46 0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.13 2diu h SER 27 CO 0.10 -0.19 -0.29 -1.13 -1.14 0.00 0.00 176.83 174.18 2diu h ASN 28 N 0.09 -0.69 -0.91 3.07 -1.24 -1.52 0.34 115.58 114.72 2diu h ASN 28 Ca 0.82 0.02 0.26 0.00 0.71 0.00 0.00 56.30 58.11 2diu h ASN 28 Cb 2.54 0.18 -0.15 0.00 0.73 0.00 0.00 38.32 41.61 2diu h ASN 28 CO -0.44 -0.43 0.21 -0.09 -1.29 0.00 0.00 177.43 175.39 2diu h ARG 29 N -0.96 0.14 -0.10 6.67 9.65 -0.63 0.12 114.38 129.27 2diu h ARG 29 Ca -0.08 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.73 2diu h ARG 29 Cb 0.63 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 2diu h ARG 29 CO 0.14 0.09 -0.17 -0.07 2.80 0.00 0.00 179.97 182.76 2diu h LEU 30 N 0.14 0.33 -1.00 3.80 4.07 -1.35 -3.20 115.31 118.10 2diu h LEU 30 Ca 0.58 -0.54 0.22 0.00 0.08 0.00 0.00 57.88 58.23 2diu h LEU 30 Cb 1.23 -0.09 -0.19 0.00 1.08 0.00 0.00 40.66 42.68 2diu h LEU 30 CO -0.73 0.80 -0.18 0.03 -1.08 0.00 0.00 178.44 177.28 2diu h ARG 31 N -0.13 0.00 -0.55 1.13 3.08 0.24 0.81 114.38 118.96 2diu h ARG 31 Ca 0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2diu h ARG 31 Cb 0.74 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2diu h ARG 31 CO 0.04 0.00 0.28 0.00 -1.07 0.00 0.00 179.97 179.22 2diu h ARG 32 N 0.00 0.78 0.00 0.04 2.47 -1.48 0.42 114.38 116.61 2diu h ARG 32 Ca 0.51 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 59.12 2diu h ARG 32 Cb 0.86 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2diu h ARG 32 CO -1.01 0.62 -0.05 -0.07 0.56 0.00 0.00 179.97 180.02 2diu h LEU 33 N 0.74 0.00 0.02 3.04 3.38 0.47 -1.49 115.31 121.48 2diu h LEU 33 Ca 0.19 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.84 2diu h LEU 33 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2diu h LEU 33 CO -0.03 0.05 -1.93 -0.24 0.09 0.00 0.00 178.44 176.38 2diu n SER 34 N -3.28 1.02 0.19 -0.43 2.88 0.63 -3.19 113.62 111.44 2diu n SER 34 Ca -0.01 0.27 0.14 0.00 -1.33 0.00 0.00 58.87 57.93 2diu n SER 34 Cb 0.23 -0.05 0.41 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.33 -3.46 3.58 0.17 1.45 116.42 118.50 2diu h ASP 35 Ca -0.38 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.77 2diu h ASP 35 Cb 2.05 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.05 2diu h ASP 35 CO 0.06 0.00 -1.92 0.59 -2.88 0.00 0.00 179.24 175.09 2diu n ASN 36 N -2.71 0.55 -0.18 2.28 3.02 -0.59 -4.09 115.26 113.53 2diu n ASN 36 Ca 0.03 0.26 0.12 0.00 -0.03 0.00 0.00 54.58 54.96 2diu n ASN 36 Cb 0.40 0.37 0.24 0.00 -0.61 0.00 0.00 39.78 40.18 2diu n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2diu n GLY 38 N 1.41 0.62 3.32 0.00 0.00 -0.52 -4.63 105.19 105.39 2diu n GLY 38 Ca 0.09 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.70 1.19 3.04 -0.02 0.00 0.49 -3.74 105.19 105.45 2diu n GLY 39 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.14 0.26 -0.42 1.61 2.20 -0.06 -3.88 119.74 117.31 2diu s LYS 40 Ca 0.15 0.73 -0.27 0.00 -0.36 0.00 0.00 55.97 56.22 2diu s LYS 40 Cb -0.04 -0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 36.05 2diu s LYS 40 CO 0.11 -0.41 2.36 1.55 -0.36 0.00 0.00 175.35 178.61 2diu n VAL 41 N 5.36 0.06 0.08 4.02 3.14 -1.26 -1.07 118.33 128.66 2diu n VAL 41 Ca -0.06 -0.65 -0.13 0.00 -2.96 0.00 0.00 64.34 60.54 2diu n VAL 41 Cb 0.50 -2.60 -0.08 0.00 -1.06 0.00 0.00 33.84 30.60 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 17.65 -0.12 -7.90 6.55 3.38 -1.27 -3.48 115.31 130.12 2diu h LEU 42 Ca -0.29 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.67 2diu h LEU 42 Cb 1.26 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 2diu h LEU 42 CO 1.10 0.02 0.27 -0.44 0.09 0.00 0.00 178.44 179.48 2diu s SER 43 N -5.17 -0.26 -0.20 -0.43 0.01 -1.04 -5.04 113.70 101.57 2diu s SER 43 Ca -0.14 -0.55 -0.05 0.00 1.31 0.00 0.00 55.95 56.52 2diu s SER 43 Cb 0.05 0.68 0.07 0.00 0.21 0.00 0.00 66.02 67.03 2diu s SER 43 CO 0.65 -1.26 0.11 -0.63 0.41 0.00 0.00 173.24 172.52 2diu s ILE 44 N -3.81 -0.11 0.06 1.44 1.01 -1.26 -1.34 121.20 117.18 2diu s ILE 44 Ca 0.11 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.54 2diu s ILE 44 Cb -0.05 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 2diu s ILE 44 CO 0.05 -0.36 -0.08 0.42 0.00 0.00 0.00 174.94 174.98 2diu s THR 45 N 2.15 3.51 0.00 2.92 -4.23 -0.73 -4.97 115.64 114.29 2diu s THR 45 Ca 0.04 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2diu s THR 45 Cb -0.16 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2diu s THR 45 CO -0.15 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2diu n GLY 46 N 1.06 0.93 0.86 3.99 0.00 -1.26 -0.03 105.19 110.73 2diu n GLY 46 Ca -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.01 2.02 0.08 0.00 1.04 0.96 -0.46 113.70 117.32 2diu s SER 48 Ca 0.11 -1.34 -0.17 0.00 0.48 0.00 0.00 55.95 55.03 2diu s SER 48 Cb 0.08 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.22 2diu s SER 48 CO 0.03 -0.60 0.41 0.00 0.98 0.00 0.00 173.24 174.06 2diu s ALA 49 N -3.41 -0.98 -0.10 5.32 0.00 -0.46 -1.77 121.76 120.36 2diu s ALA 49 Ca 0.35 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2diu s ALA 49 Cb 0.08 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2diu s ALA 49 CO 0.13 -0.55 -0.10 0.42 0.00 0.00 0.00 175.76 175.67 2diu s ILE 50 N -3.12 1.11 0.35 0.00 1.01 -0.45 -0.72 121.20 119.38 2diu s ILE 50 Ca -0.01 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.34 2diu s ILE 50 Cb 0.01 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2diu s ILE 50 CO -0.07 0.37 0.19 -0.76 0.00 0.00 0.00 174.94 174.67 2diu s LEU 51 N 1.37 3.33 -0.20 2.97 1.02 -0.82 -0.80 118.68 125.54 2diu s LEU 51 Ca -0.01 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.40 2diu s LEU 51 Cb -0.14 -1.83 0.05 0.00 0.02 0.00 0.00 46.19 44.29 2diu s LEU 51 CO -0.05 -0.35 -0.06 -0.60 0.02 0.00 0.00 176.35 175.32 2diu s ARG 52 N -3.90 1.61 -0.00 1.70 6.06 -0.23 -2.09 118.95 122.09 2diu s ARG 52 Ca 0.39 -0.77 0.02 0.00 -2.50 0.00 0.00 55.73 52.88 2diu s ARG 52 Cb -0.03 -2.33 -0.03 0.00 0.06 0.00 0.00 34.95 32.61 2diu s ARG 52 CO 0.24 -0.51 -0.04 -0.06 -2.50 0.00 0.00 175.30 172.43 2diu s PHE 53 N 1.50 2.96 0.19 5.12 0.40 -0.14 -0.88 117.98 127.11 2diu s PHE 53 Ca -0.02 0.01 -0.21 0.00 -0.60 0.00 0.00 56.93 56.11 2diu s PHE 53 Cb -0.17 -1.64 0.12 0.00 0.51 0.00 0.00 43.02 41.85 2diu s PHE 53 CO -0.07 0.40 1.59 0.97 0.70 0.00 0.00 175.22 178.81 2diu h ILE 54 N 3.72 0.19 -4.00 0.64 6.09 -1.84 0.10 117.51 122.41 2diu h ILE 54 Ca -0.49 0.00 -0.31 0.00 -1.37 0.00 0.00 64.86 62.70 2diu h ILE 54 Cb 1.17 0.19 -0.08 0.00 0.47 0.00 0.00 36.82 38.58 2diu h ILE 54 CO 0.55 0.00 -0.24 -0.46 -3.07 0.00 0.00 178.15 174.93 2diu n ASN 55 N -5.43 -0.91 0.15 2.19 0.23 -1.26 -3.76 115.26 106.46 2diu n ASN 55 Ca 0.04 -2.70 -0.11 0.00 -0.53 0.00 0.00 54.58 51.27 2diu n ASN 55 Cb 0.35 1.83 -0.06 0.00 -2.08 0.00 0.00 39.78 39.82 2diu n ASN 55 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2diu h GLN 56 N 0.00 -0.56 -0.32 -3.83 4.15 -1.91 -1.78 115.11 110.86 2diu h GLN 56 Ca -0.22 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.27 2diu h GLN 56 Cb 1.01 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 2diu h GLN 56 CO 0.30 -0.37 -0.19 -3.47 -1.93 0.00 0.00 178.83 173.17 2diu n ASP 57 N -4.32 -0.34 -0.26 -0.69 2.03 -1.26 0.11 116.55 111.83 2diu n ASP 57 Ca -0.07 0.97 0.07 0.00 0.52 0.00 0.00 54.79 56.28 2diu n ASP 57 Cb 0.28 -0.27 0.20 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.11 -0.07 1.67 0.02 -1.81 0.33 113.55 113.80 2diu h SER 58 Ca 0.05 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2diu h SER 58 Cb 0.13 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2diu h SER 58 CO -0.30 -0.01 -0.07 0.00 -1.14 0.00 0.00 176.83 175.31 2diu h ALA 59 N 1.62 1.51 0.01 3.77 0.00 0.17 -3.15 119.26 123.19 2diu h ALA 59 Ca 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2diu h ALA 59 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2diu h ALA 59 CO -0.50 0.35 -0.00 0.93 0.00 0.00 0.00 179.25 180.03 2diu h GLU 60 N 0.30 -0.01 -1.42 0.00 5.08 0.40 0.14 114.58 119.08 2diu h GLU 60 Ca 0.07 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 58.86 2diu h GLU 60 Cb 0.32 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 2diu h GLU 60 CO 0.01 -0.01 0.99 0.54 -1.00 0.00 0.00 179.01 179.55 2diu n ARG 61 N -2.04 -0.01 0.04 2.33 1.74 -0.82 0.23 116.66 118.13 2diu n ARG 61 Ca -0.00 0.91 -0.22 0.00 -0.77 0.00 0.00 57.85 57.77 2diu n ARG 61 Cb 0.00 -1.99 -0.14 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 0.96 0.09 -0.60 7.54 0.00 -1.49 -3.07 119.26 122.70 2diu h ALA 62 Ca 0.74 -1.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2diu h ALA 62 Cb 2.76 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 20.91 2diu h ALA 62 CO -0.14 0.78 0.23 0.37 0.00 0.00 0.00 179.25 180.49 2diu h GLN 63 N -0.19 0.90 0.00 0.00 -0.00 0.58 0.43 115.11 116.83 2diu h GLN 63 Ca -0.28 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.18 2diu h GLN 63 Cb 1.85 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 29.18 2diu h GLN 63 CO 0.12 0.78 -0.11 1.57 0.00 0.00 0.00 178.83 181.18 2diu h LYS 64 N 0.83 0.00 0.00 1.69 5.09 -0.73 -2.51 116.57 120.94 2diu h LYS 64 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.94 2diu h LYS 64 Cb 0.22 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.55 2diu h LYS 64 CO -0.01 0.11 -0.09 -0.09 -2.09 0.00 0.00 179.45 177.27 2diu h ARG 65 N 0.00 0.00 -0.79 0.07 9.65 -1.29 -3.38 114.38 118.63 2diu h ARG 65 Ca -0.00 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.05 2diu h ARG 65 Cb 0.63 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.07 2diu h ARG 65 CO 0.01 0.00 -0.09 0.52 2.80 0.00 0.00 179.97 183.21 2diu h MET 66 N -0.19 0.04 -0.99 0.20 2.86 -0.29 0.31 114.93 116.87 2diu h MET 66 Ca 0.00 -0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.00 2diu h MET 66 Cb 0.09 -0.01 -0.18 0.00 0.06 0.00 0.00 31.60 31.57 2diu h MET 66 CO 0.00 0.03 0.38 1.05 1.06 0.00 0.00 176.91 179.43 2diu h GLU 67 N 0.04 0.03 0.00 1.72 4.11 -1.61 1.53 114.58 120.40 2diu h GLU 67 Ca 0.41 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 2diu h GLU 67 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2diu h GLU 67 CO -0.76 0.02 -1.05 0.09 0.07 0.00 0.00 179.01 177.38 2diu n ASN 68 N -5.31 0.65 -4.77 3.06 4.13 0.88 -4.25 115.26 109.64 2diu n ASN 68 Ca 0.33 0.07 -0.37 0.00 1.68 0.00 0.00 54.58 56.29 2diu n ASN 68 Cb 1.09 0.68 -0.02 0.00 -1.54 0.00 0.00 39.78 39.99 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 -3.29 4.04 -0.55 3.52 2.56 0.52 -4.87 118.70 120.63 2diu s GLU 69 Ca 0.01 1.71 0.01 0.00 0.00 0.00 0.00 54.97 56.71 2diu s GLU 69 Cb 0.12 -2.59 0.14 0.00 2.00 0.00 0.00 34.13 33.81 2diu s GLU 69 CO 0.79 -0.29 0.32 0.16 -0.56 0.00 0.00 175.26 175.68 2diu s ASP 70 N -1.32 4.71 0.16 -1.70 1.47 -1.26 -2.47 116.67 116.26 2diu s ASP 70 Ca 0.58 -2.89 -0.13 0.00 1.18 0.00 0.00 52.55 51.29 2diu s ASP 70 Cb -0.27 -1.73 0.15 0.00 -0.34 0.00 0.00 42.92 40.73 2diu s ASP 70 CO 0.34 -0.30 1.08 0.52 0.68 0.00 0.00 175.17 177.50 2diu n VAL 71 N 3.34 -0.38 -3.21 2.11 0.31 -1.13 -4.18 118.33 115.20 2diu n VAL 71 Ca 0.06 1.65 -0.00 0.00 -0.01 0.00 0.00 64.34 66.03 2diu n VAL 71 Cb 0.35 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 31.09 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 -5.63 -1.40 -0.05 3.52 0.08 -1.26 -4.92 117.98 108.32 2diu s PHE 72 Ca -0.10 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.23 2diu s PHE 72 Cb 0.14 0.33 0.00 0.00 -0.57 0.00 0.00 43.02 42.92 2diu s PHE 72 CO 0.49 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 2diu n GLY 73 N 5.41 -0.34 3.54 4.36 0.00 -1.26 -4.82 105.19 112.07 2diu n GLY 73 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.72 -0.83 0.13 1.61 2.47 -1.26 -5.13 114.94 110.21 2diu s ASN 74 Ca 0.00 1.35 -0.30 0.00 0.42 0.00 0.00 52.86 54.33 2diu s ASN 74 Cb 0.00 1.30 -0.06 0.00 -1.45 0.00 0.00 41.25 41.04 2diu s ASN 74 CO 0.00 -0.23 0.95 -0.13 -3.72 0.00 0.00 177.10 173.97 2diu s ARG 75 N 1.71 4.72 0.20 0.43 0.52 -1.26 -2.81 118.95 122.45 2diu s ARG 75 Ca -0.09 1.44 0.02 0.00 -0.52 0.00 0.00 55.73 56.57 2diu s ARG 75 Cb -0.07 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 2diu s ARG 75 CO -0.18 0.28 0.36 0.96 0.02 0.00 0.00 175.30 176.73 2diu s ILE 76 N -0.23 5.26 -0.29 1.52 -4.36 -1.03 -4.79 121.20 117.27 2diu s ILE 76 Ca 0.45 -0.67 -0.00 0.00 -0.26 0.00 0.00 60.65 60.17 2diu s ILE 76 Cb -0.24 -3.78 0.05 0.00 1.25 0.00 0.00 42.46 39.74 2diu s ILE 76 CO 0.30 -0.22 -0.03 -0.63 0.24 0.00 0.00 174.94 174.60 2diu s ILE 77 N -1.89 2.74 -0.25 8.37 1.01 -0.23 -4.23 121.20 126.72 2diu s ILE 77 Ca 0.36 -1.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 2diu s ILE 77 Cb -0.10 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2diu s ILE 77 CO 0.29 -0.09 0.19 -0.69 0.00 0.00 0.00 174.94 174.65 2diu s VAL 78 N 1.21 5.33 0.06 2.92 1.01 -1.26 0.14 120.40 129.81 2diu s VAL 78 Ca -0.06 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2diu s VAL 78 Cb -0.20 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2diu s VAL 78 CO -0.02 0.30 -0.09 -0.55 0.00 0.00 0.00 175.10 174.74 2diu s SER 79 N 1.29 1.10 0.33 3.32 0.15 0.87 -4.86 113.70 115.90 2diu s SER 79 Ca 0.08 -0.67 0.20 0.00 0.70 0.00 0.00 55.95 56.26 2diu s SER 79 Cb -0.14 0.03 0.17 0.00 -1.71 0.00 0.00 66.02 64.36 2diu s SER 79 CO 0.07 -0.24 1.43 -0.26 1.20 0.00 0.00 173.24 175.44 2diu h PHE 80 N 4.08 0.00 -2.38 3.44 -1.00 -1.85 0.39 116.94 119.62 2diu h PHE 80 Ca -0.37 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 59.88 2diu h PHE 80 Cb 1.19 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.69 2diu h PHE 80 CO 0.63 0.23 -0.56 0.95 -1.61 0.00 0.00 178.31 177.95 2diu s THR 81 N -3.11 4.25 0.49 -1.55 -4.23 -1.26 -4.77 115.64 105.45 2diu s THR 81 Ca 0.04 -1.40 -0.22 0.00 -1.18 0.00 0.00 61.69 58.94 2diu s THR 81 Cb 0.07 -3.25 -0.07 0.00 1.34 0.00 0.00 72.50 70.59 2diu s THR 81 CO 0.72 -0.28 1.15 -2.16 -0.54 0.00 0.00 174.62 173.52 2diu s PRO 82 N -3.56 3.61 -0.18 3.99 0.04 -1.26 -4.82 135.00 132.82 2diu s PRO 82 Ca 0.32 1.71 0.15 0.00 0.04 0.00 0.00 61.00 63.22 2diu s PRO 82 Cb -0.08 -2.26 -0.22 0.00 0.04 0.00 0.00 34.50 31.98 2diu s PRO 82 CO 0.23 -0.66 0.05 1.63 0.04 0.00 0.00 177.00 178.29 2diu n LYS 83 N -0.79 1.07 -0.26 4.56 5.02 -1.26 -4.48 118.16 122.03 2diu n LYS 83 Ca 0.09 -0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.44 2diu n LYS 83 Cb 0.49 -1.46 0.20 0.00 -0.02 0.00 0.00 35.03 34.24 2diu n LYS 83 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2diu h ASN 84 N 0.00 0.12 -2.92 4.39 -1.24 -2.04 -3.39 115.58 110.51 2diu h ASN 84 Ca -0.49 0.14 -0.24 0.00 0.71 0.00 0.00 56.30 56.42 2diu h ASN 84 Cb 2.09 0.16 -0.33 0.00 0.73 0.00 0.00 38.32 40.96 2diu h ASN 84 CO 0.02 0.01 -0.56 -0.13 -1.29 0.00 0.00 177.43 175.48 2diu s ARG 85 N -6.02 0.11 -0.18 6.67 0.52 -1.26 -5.14 118.95 113.65 2diu s ARG 85 Ca -0.12 0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 55.75 2diu s ARG 85 Cb 0.21 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 2diu s ARG 85 CO 0.76 -0.30 -0.07 -1.83 0.02 0.00 0.00 175.30 173.88 2diu s GLU 86 N 2.38 3.44 0.27 3.54 1.03 -1.26 -4.78 118.70 123.32 2diu s GLU 86 Ca 0.02 -0.62 -0.03 0.00 0.03 0.00 0.00 54.97 54.36 2diu s GLU 86 Cb -0.12 -2.87 0.34 0.00 -0.80 0.00 0.00 34.13 30.69 2diu s GLU 86 CO -0.08 0.02 1.87 1.37 -1.33 0.00 0.00 175.26 177.12 2diu h LEU 87 N 7.38 0.95 -8.12 1.83 -0.00 -2.00 -3.46 115.31 111.89 2diu h LEU 87 Ca -0.34 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.43 2diu h LEU 87 Cb 1.18 -0.24 -0.08 0.00 -0.00 0.00 0.00 40.66 41.52 2diu h LEU 87 CO 0.59 0.80 0.03 0.00 -0.00 0.00 0.00 178.44 179.86 2diu s GLU 89 N -3.97 1.94 -0.16 0.00 -1.05 -1.26 -5.07 118.70 109.12 2diu s GLU 89 Ca 0.17 -1.75 0.01 0.00 -0.15 0.00 0.00 54.97 53.25 2diu s GLU 89 Cb -0.03 -3.43 0.02 0.00 -0.44 0.00 0.00 34.13 30.25 2diu s GLU 89 CO 0.08 -0.97 -0.18 -0.08 0.95 0.00 0.00 175.26 175.05 2diu s THR 90 N 1.10 1.87 -0.17 1.83 -1.32 -1.26 -5.00 115.64 112.69 2diu s THR 90 Ca 0.07 -0.82 -0.09 0.00 -1.21 0.00 0.00 61.69 59.63 2diu s THR 90 Cb -0.21 -1.70 -0.07 0.00 -1.51 0.00 0.00 72.50 69.00 2diu s THR 90 CO -0.05 0.51 -0.23 -0.24 -2.21 0.00 0.00 174.62 172.40 2diu n SER 91 N 4.62 1.32 -0.99 8.08 2.88 -1.26 -5.12 113.62 123.14 2diu n SER 91 Ca -0.19 0.23 0.10 0.00 -1.33 0.00 0.00 58.87 57.67 2diu n SER 91 Cb 0.50 -0.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 2diu n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diu n GLY 92 N 1.91 -1.72 3.77 0.46 0.00 -1.26 -4.83 105.19 103.52 2diu n GLY 92 Ca -0.32 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.27 3.15 -0.20 1.61 0.04 -1.26 -5.01 135.00 132.07 2diu s PRO 93 Ca 0.00 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 2diu s PRO 93 Cb 0.00 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 2diu s PRO 93 CO 0.00 -0.99 -0.07 0.45 0.04 0.00 0.00 177.00 176.43 2diu n SER 94 N -1.70 1.88 -3.96 6.66 2.88 -1.26 -4.94 113.62 113.17 2diu n SER 94 Ca 0.11 0.45 -0.25 0.00 -1.33 0.00 0.00 58.87 57.85 2diu n SER 94 Cb 0.51 -0.89 -0.17 0.00 -0.75 0.00 0.00 64.21 62.92 2diu n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2diu s SER 95 N -6.59 1.86 0.00 -3.46 0.15 -1.26 -5.32 113.70 99.08 2diu s SER 95 Ca -0.27 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2diu s SER 95 Cb 0.07 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 2diu s SER 95 CO 0.45 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.47