#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 -0.69 0.47 1.61 0.87 -2.03 -2.90 113.55 110.88 2diu h SER 2 Ca 0.00 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2diu h SER 2 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2diu h SER 2 CO 0.00 -0.23 -0.22 -1.28 -0.53 0.00 0.00 176.83 174.57 2diu h SER 3 N -0.06 -0.53 -5.55 6.23 0.87 -2.08 -3.49 113.55 108.94 2diu h SER 3 Ca 0.26 0.02 0.28 0.00 -1.23 0.00 0.00 61.79 61.12 2diu h SER 3 Cb 0.47 0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 62.45 2diu h SER 3 CO -0.61 -0.11 0.73 -0.83 -0.53 0.00 0.00 176.83 175.48 2diu s GLY 4 N -2.81 -0.36 -0.78 5.77 0.00 -1.09 -5.10 107.32 102.94 2diu s GLY 4 Ca -0.09 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.24 2diu s GLY 4 CO 0.27 0.11 0.62 -1.35 0.00 0.00 0.00 173.10 172.76 2diu s SER 5 N -2.92 5.38 -0.81 1.64 1.04 -1.26 -1.77 113.70 115.00 2diu s SER 5 Ca 0.13 -3.72 -0.00 0.00 0.48 0.00 0.00 55.95 52.84 2diu s SER 5 Cb 0.03 -1.78 0.20 0.00 0.10 0.00 0.00 66.02 64.57 2diu s SER 5 CO -0.02 -0.15 0.66 -0.44 0.98 0.00 0.00 173.24 174.27 2diu s SER 6 N -0.70 5.62 -1.54 7.02 0.01 -1.26 -4.81 113.70 118.03 2diu s SER 6 Ca 0.25 -3.63 -0.06 0.00 1.31 0.00 0.00 55.95 53.82 2diu s SER 6 Cb -0.07 -1.84 0.05 0.00 0.21 0.00 0.00 66.02 64.37 2diu s SER 6 CO -0.13 -0.19 0.43 0.61 0.41 0.00 0.00 173.24 174.37 2diu n GLY 7 N 2.41 -0.27 3.55 3.44 0.00 -1.26 -4.95 105.19 108.12 2diu n GLY 7 Ca 0.19 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.47 2.99 -0.23 0.00 0.09 -1.25 -4.42 115.29 109.99 2diu s HIS 9 Ca 0.37 -0.24 -0.00 0.00 -0.00 0.00 0.00 55.06 55.19 2diu s HIS 9 Cb -0.03 -1.70 0.06 0.00 -0.00 0.00 0.00 32.58 30.92 2diu s HIS 9 CO 0.23 0.27 -0.02 0.99 -0.00 0.00 0.00 174.74 176.21 2diu s THR 10 N -2.24 1.28 0.12 1.30 2.01 0.61 -4.91 115.64 113.80 2diu s THR 10 Ca 0.39 -1.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 2diu s THR 10 Cb -0.07 -1.64 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 2diu s THR 10 CO 0.26 -0.18 0.55 -0.76 -0.69 0.00 0.00 174.62 173.80 2diu s LEU 11 N 1.50 4.40 0.17 4.42 1.43 -1.26 -0.38 118.68 128.96 2diu s LEU 11 Ca -0.03 1.13 0.07 0.00 -1.03 0.00 0.00 54.13 54.27 2diu s LEU 11 Cb -0.18 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2diu s LEU 11 CO -0.08 0.17 -0.01 -0.76 0.23 0.00 0.00 176.35 175.90 2diu s LEU 12 N -1.65 3.28 -0.21 1.79 1.43 -0.88 -4.78 118.68 117.66 2diu s LEU 12 Ca 0.34 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2diu s LEU 12 Cb -0.16 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.16 2diu s LEU 12 CO 0.19 0.10 -0.09 -0.31 0.23 0.00 0.00 176.35 176.47 2diu s TYR 13 N -1.69 2.46 0.09 0.29 2.02 0.27 -1.72 117.35 119.06 2diu s TYR 13 Ca 0.27 -1.68 -0.07 0.00 -0.37 0.00 0.00 57.07 55.22 2diu s TYR 13 Cb -0.09 -1.64 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 2diu s TYR 13 CO 0.18 -0.76 0.36 0.08 -1.57 0.00 0.00 175.55 173.84 2diu s VAL 14 N 1.38 5.17 0.23 0.71 1.01 0.72 -0.55 120.40 129.07 2diu s VAL 14 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2diu s VAL 14 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2diu s VAL 14 CO -0.07 0.19 0.19 -0.31 0.00 0.00 0.00 175.10 175.09 2diu s TYR 15 N -1.50 1.26 -1.18 5.22 1.51 0.15 -1.40 117.35 121.43 2diu s TYR 15 Ca 0.35 -1.42 -0.01 0.00 -1.01 0.00 0.00 57.07 54.99 2diu s TYR 15 Cb -0.13 -0.56 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2diu s TYR 15 CO 0.21 -0.72 0.99 0.09 -1.11 0.00 0.00 175.55 175.01 2diu n ASN 16 N -0.59 -2.80 -4.91 2.29 4.13 -1.01 -1.33 115.26 111.03 2diu n ASN 16 Ca 0.03 -0.64 -0.29 0.00 1.68 0.00 0.00 54.58 55.36 2diu n ASN 16 Cb 0.65 -5.14 -0.04 0.00 -1.54 0.00 0.00 39.78 33.71 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 -6.20 4.22 -0.92 3.41 1.43 -0.87 -4.38 118.68 115.37 2diu s LEU 17 Ca 0.08 0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 53.45 2diu s LEU 17 Cb -0.01 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 2diu s LEU 17 CO 0.73 -0.02 1.94 -2.16 0.23 0.00 0.00 176.35 177.07 2diu s PRO 18 N -3.07 2.56 0.29 1.29 0.04 -1.26 -4.79 135.00 130.07 2diu s PRO 18 Ca 0.40 -0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.12 2diu s PRO 18 Cb -0.11 -5.08 0.65 0.00 0.04 0.00 0.00 34.50 30.00 2diu s PRO 18 CO 0.27 -3.41 1.81 0.00 0.04 0.00 0.00 177.00 175.71 2diu h ALA 19 N 11.17 1.60 -0.22 8.56 0.00 -1.95 -1.44 119.26 136.99 2diu h ALA 19 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2diu h ALA 19 Cb 1.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2diu h ALA 19 CO 1.21 0.09 0.14 -0.91 0.00 0.00 0.00 179.25 179.77 2diu h ASN 20 N 0.88 0.27 -1.93 0.00 2.35 -2.01 -3.41 115.58 111.72 2diu h ASN 20 Ca 0.54 -0.04 -0.59 0.00 -0.55 0.00 0.00 56.30 55.65 2diu h ASN 20 Cb 0.70 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2diu h ASN 20 CO -0.32 0.23 1.45 0.29 -1.65 0.00 0.00 177.43 177.43 2diu n LYS 21 N -4.91 1.98 -1.48 0.81 4.76 -0.54 -4.85 118.16 113.92 2diu n LYS 21 Ca -0.03 0.57 -0.54 0.00 -2.87 0.00 0.00 58.31 55.44 2diu n LYS 21 Cb 0.05 -3.12 -0.06 0.00 -1.84 0.00 0.00 35.03 30.06 2diu n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2diu n ASP 22 N 10.93 -0.15 -0.21 4.39 -0.08 -1.26 -4.52 116.55 125.65 2diu n ASP 22 Ca 0.30 1.15 -0.08 0.00 -1.51 0.00 0.00 54.79 54.65 2diu n ASP 22 Cb 0.42 -0.97 -0.03 0.00 2.34 0.00 0.00 41.12 42.88 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 2.51 -0.38 -0.87 0.27 0.00 -1.88 0.29 103.07 103.01 2diu h GLY 23 Ca -0.43 0.54 0.24 0.00 0.00 0.00 0.00 47.33 47.67 2diu h GLY 23 CO 0.64 -0.17 0.01 0.28 0.00 0.00 0.00 176.54 177.30 2diu n LYS 24 N -5.41 -0.07 0.02 4.80 5.02 -1.26 0.10 118.16 121.36 2diu n LYS 24 Ca 0.02 1.31 -0.13 0.00 -2.02 0.00 0.00 58.31 57.49 2diu n LYS 24 Cb 0.35 -2.07 -0.09 0.00 -0.02 0.00 0.00 35.03 33.19 2diu n LYS 24 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2diu h SER 25 N 0.00 -0.08 0.00 4.39 0.02 -1.30 -3.23 113.55 113.35 2diu h SER 25 Ca 0.52 -0.45 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2diu h SER 25 Cb 1.07 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2diu h SER 25 CO -0.82 0.43 -0.16 0.58 -1.14 0.00 0.00 176.83 175.72 2diu h VAL 26 N -0.63 0.00 -0.06 2.27 2.07 0.61 -2.80 116.25 117.72 2diu h VAL 26 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2diu h VAL 26 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2diu h VAL 26 CO 0.02 0.00 -0.03 -1.54 0.02 0.00 0.00 177.57 176.03 2diu n SER 27 N -3.38 -0.06 -0.31 0.57 3.41 0.19 -0.46 113.62 113.59 2diu n SER 27 Ca -0.02 0.78 -0.08 0.00 -0.26 0.00 0.00 58.87 59.29 2diu n SER 27 Cb 0.12 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.90 -0.75 -0.30 4.04 5.15 -1.17 0.16 115.26 119.49 2diu n ASN 28 Ca 0.00 1.30 0.13 0.00 -0.60 0.00 0.00 54.58 55.41 2diu n ASN 28 Cb 0.01 -0.18 0.28 0.00 -0.53 0.00 0.00 39.78 39.37 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 0.14 -0.03 1.20 9.65 -0.49 -0.06 114.38 124.79 2diu h ARG 29 Ca 0.13 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2diu h ARG 29 Cb 0.31 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2diu h ARG 29 CO -0.69 0.09 -0.06 -0.07 2.80 0.00 0.00 179.97 182.04 2diu h LEU 30 N 0.15 0.11 -0.91 3.80 4.07 0.21 -3.26 115.31 119.47 2diu h LEU 30 Ca 0.55 -0.57 0.22 0.00 0.08 0.00 0.00 57.88 58.16 2diu h LEU 30 Cb 1.12 -0.03 -0.17 0.00 1.08 0.00 0.00 40.66 42.66 2diu h LEU 30 CO -0.71 0.66 -0.09 0.54 -1.08 0.00 0.00 178.44 177.76 2diu n ARG 31 N -4.73 -0.08 0.00 1.13 1.74 0.82 0.71 116.66 116.27 2diu n ARG 31 Ca -0.08 1.39 -0.10 0.00 -0.77 0.00 0.00 57.85 58.29 2diu n ARG 31 Cb 0.33 -2.16 -0.05 0.00 -1.02 0.00 0.00 32.46 29.56 2diu n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ARG 32 N 0.00 -0.02 0.00 5.56 2.47 -1.48 0.40 114.38 121.32 2diu h ARG 32 Ca 0.50 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.23 2diu h ARG 32 Cb 0.94 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 2diu h ARG 32 CO -0.89 -0.01 -0.00 -0.07 0.56 0.00 0.00 179.97 179.55 2diu h LEU 33 N -0.02 0.00 0.12 3.04 3.38 0.23 -1.92 115.31 120.15 2diu h LEU 33 Ca 0.05 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 2diu h LEU 33 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2diu h LEU 33 CO -0.10 0.00 -1.93 0.77 0.09 0.00 0.00 178.44 177.27 2diu h SER 34 N 0.00 0.41 -0.65 -0.43 4.64 0.31 -3.11 113.55 114.73 2diu h SER 34 Ca -0.00 -0.87 -0.00 0.00 -0.47 0.00 0.00 61.79 60.45 2diu h SER 34 Cb 0.03 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 2diu h SER 34 CO 0.00 1.77 0.39 -0.78 -0.87 0.00 0.00 176.83 177.34 2diu h ASP 35 N 0.07 0.78 0.04 4.97 3.58 0.45 1.93 116.42 128.24 2diu h ASP 35 Ca -0.40 -0.06 -0.18 0.00 0.42 0.00 0.00 57.03 56.81 2diu h ASP 35 Cb 2.04 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.89 2diu h ASP 35 CO 0.10 0.61 -0.62 -1.13 -2.88 0.00 0.00 179.24 175.32 2diu h ASN 36 N 0.88 0.65 -0.81 2.28 -1.24 -1.54 -3.08 115.58 112.71 2diu h ASN 36 Ca 0.23 -0.38 -0.45 0.00 0.71 0.00 0.00 56.30 56.42 2diu h ASN 36 Cb -0.02 -0.19 -0.25 0.00 0.73 0.00 0.00 38.32 38.60 2diu h ASN 36 CO -0.04 1.11 0.57 0.00 -1.29 0.00 0.00 177.43 177.78 2diu n GLY 38 N -0.76 -0.61 3.86 0.00 0.00 -0.29 -4.46 105.19 102.92 2diu n GLY 38 Ca 0.49 0.93 -0.07 0.00 0.00 0.00 0.00 46.02 47.37 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 -2.24 -0.07 -0.16 -0.02 0.00 0.64 -4.23 107.32 101.24 2diu s GLY 39 Ca 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.55 2diu s GLY 39 CO 0.86 -0.10 0.28 1.25 0.00 0.00 0.00 173.10 175.39 2diu s LYS 40 N -3.83 0.19 -0.64 2.90 2.20 -1.01 -3.66 119.74 115.90 2diu s LYS 40 Ca 0.11 0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 56.10 2diu s LYS 40 Cb -0.06 -0.30 -0.11 0.00 -1.51 0.00 0.00 37.83 35.85 2diu s LYS 40 CO 0.07 -0.40 2.42 1.55 -0.36 0.00 0.00 175.35 178.63 2diu n VAL 41 N 5.35 -0.05 0.03 4.02 3.14 -1.26 -1.68 118.33 127.88 2diu n VAL 41 Ca -0.06 -0.66 -0.10 0.00 -2.96 0.00 0.00 64.34 60.56 2diu n VAL 41 Cb 0.50 -2.36 -0.04 0.00 -1.06 0.00 0.00 33.84 30.88 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 20.39 -0.66 -7.74 6.55 3.38 -0.93 -3.46 115.31 132.84 2diu h LEU 42 Ca -0.13 0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2diu h LEU 42 Cb 1.16 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.12 2diu h LEU 42 CO 1.12 -0.28 0.19 -0.44 0.09 0.00 0.00 178.44 179.12 2diu s SER 43 N -4.95 -0.33 -0.27 -0.43 0.01 -1.07 -5.03 113.70 101.63 2diu s SER 43 Ca -0.15 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 2diu s SER 43 Cb 0.10 0.68 0.09 0.00 0.21 0.00 0.00 66.02 67.09 2diu s SER 43 CO 0.67 -1.22 0.08 -0.63 0.41 0.00 0.00 173.24 172.54 2diu s ILE 44 N -3.88 0.63 -0.11 1.44 1.01 -1.26 -1.33 121.20 117.70 2diu s ILE 44 Ca 0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 2diu s ILE 44 Cb -0.04 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2diu s ILE 44 CO 0.01 -0.51 0.04 0.42 0.00 0.00 0.00 174.94 174.90 2diu s THR 45 N 1.77 4.63 0.00 2.92 -4.23 -0.84 -4.97 115.64 114.92 2diu s THR 45 Ca 0.06 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2diu s THR 45 Cb -0.17 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2diu s THR 45 CO -0.21 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2diu n GLY 46 N 2.40 1.61 1.13 3.99 0.00 -1.26 0.20 105.19 113.27 2diu n GLY 46 Ca -0.19 -0.21 -0.01 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 -0.14 2.32 0.04 0.00 1.04 0.13 -2.04 113.70 115.04 2diu s SER 48 Ca 0.20 -1.42 -0.19 0.00 0.48 0.00 0.00 55.95 55.01 2diu s SER 48 Cb 0.16 0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.34 2diu s SER 48 CO 0.05 -0.67 0.44 0.00 0.98 0.00 0.00 173.24 174.04 2diu s ALA 49 N -3.33 -1.09 -0.10 5.32 0.00 -0.49 -1.98 121.76 120.08 2diu s ALA 49 Ca 0.35 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2diu s ALA 49 Cb 0.08 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.56 2diu s ALA 49 CO 0.15 -0.46 -0.12 0.42 0.00 0.00 0.00 175.76 175.75 2diu s ILE 50 N -2.41 1.27 0.38 0.00 1.01 -0.44 -0.20 121.20 120.81 2diu s ILE 50 Ca -0.06 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.18 2diu s ILE 50 Cb -0.01 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2diu s ILE 50 CO -0.02 0.40 0.25 -0.76 0.00 0.00 0.00 174.94 174.81 2diu s LEU 51 N 1.21 3.31 -0.18 2.97 1.02 -0.70 -0.27 118.68 126.04 2diu s LEU 51 Ca -0.03 -0.81 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 2diu s LEU 51 Cb -0.14 -1.82 0.05 0.00 0.02 0.00 0.00 46.19 44.29 2diu s LEU 51 CO -0.04 -0.49 -0.04 -0.60 0.02 0.00 0.00 176.35 175.21 2diu s ARG 52 N -3.97 1.37 0.14 1.70 6.06 -0.68 -2.06 118.95 121.50 2diu s ARG 52 Ca 0.42 -0.58 0.07 0.00 -2.50 0.00 0.00 55.73 53.15 2diu s ARG 52 Cb -0.01 -2.10 -0.04 0.00 0.06 0.00 0.00 34.95 32.85 2diu s ARG 52 CO 0.25 -0.48 -0.03 -0.06 -2.50 0.00 0.00 175.30 172.48 2diu s PHE 53 N 1.62 2.84 0.11 5.12 0.40 0.49 -2.40 117.98 126.16 2diu s PHE 53 Ca -0.00 -0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.03 2diu s PHE 53 Cb -0.16 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 2diu s PHE 53 CO -0.07 0.48 1.63 0.97 0.70 0.00 0.00 175.22 178.93 2diu h ILE 54 N 2.78 1.20 -4.32 0.64 2.10 -1.83 0.17 117.51 118.25 2diu h ILE 54 Ca -0.48 -0.64 -0.20 0.00 1.08 0.00 0.00 64.86 64.62 2diu h ILE 54 Cb 1.18 1.06 -0.13 0.00 -1.09 0.00 0.00 36.82 37.84 2diu h ILE 54 CO 0.57 0.22 -0.45 0.20 -1.08 0.00 0.00 178.15 177.60 2diu s ASN 55 N -5.80 0.19 0.14 2.19 0.01 -1.26 -3.94 114.94 106.48 2diu s ASN 55 Ca -0.13 -1.28 -0.23 0.00 -0.71 0.00 0.00 52.86 50.50 2diu s ASN 55 Cb 0.09 0.46 0.01 0.00 0.41 0.00 0.00 41.25 42.22 2diu s ASN 55 CO 0.74 -0.96 1.63 -0.61 -1.51 0.00 0.00 177.10 176.39 2diu h GLN 56 N 2.47 -0.27 0.00 -0.60 4.15 -1.90 -2.38 115.11 116.58 2diu h GLN 56 Ca -0.32 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2diu h GLN 56 Cb 1.25 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2diu h GLN 56 CO 0.47 -0.18 0.00 -3.47 -1.93 0.00 0.00 178.83 173.72 2diu n ASP 57 N -5.38 0.00 -0.34 -0.69 2.03 -1.26 0.26 116.55 111.17 2diu n ASP 57 Ca -0.02 0.98 0.28 0.00 0.52 0.00 0.00 54.79 56.55 2diu n ASP 57 Cb 0.29 -0.48 0.53 0.00 -0.72 0.00 0.00 41.12 40.74 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 0.43 -0.48 1.67 0.02 -1.83 0.81 113.55 114.16 2diu h SER 58 Ca 0.00 0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2diu h SER 58 Cb 0.00 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2diu h SER 58 CO 0.00 -0.22 -0.14 0.00 -1.14 0.00 0.00 176.83 175.33 2diu h ALA 59 N 1.86 0.66 0.12 3.77 0.00 -0.09 -3.23 119.26 122.35 2diu h ALA 59 Ca 0.77 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2diu h ALA 59 Cb 1.94 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2diu h ALA 59 CO -0.62 0.59 -0.13 0.93 0.00 0.00 0.00 179.25 180.03 2diu h GLU 60 N 0.79 -0.24 -0.83 0.00 5.08 0.52 0.53 114.58 120.43 2diu h GLU 60 Ca 0.12 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.74 2diu h GLU 60 Cb 0.70 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2diu h GLU 60 CO 0.05 -0.16 1.14 0.00 -1.00 0.00 0.00 179.01 179.04 2diu h ARG 61 N -0.25 0.00 0.07 2.33 3.08 -1.56 1.70 114.38 119.75 2diu h ARG 61 Ca -0.02 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.68 2diu h ARG 61 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2diu h ARG 61 CO -0.02 0.00 -2.01 0.00 -1.07 0.00 0.00 179.97 176.87 2diu n ALA 62 N -2.13 1.14 -0.08 0.04 0.00 -0.51 -3.07 120.51 115.90 2diu n ALA 62 Ca 0.19 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 2diu n ALA 62 Cb 1.39 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 2diu n ALA 62 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2diu h GLN 63 N 0.04 0.78 -0.03 0.00 -0.00 0.75 -0.47 115.11 116.18 2diu h GLN 63 Ca -0.42 -0.47 -0.16 0.00 -0.00 0.00 0.00 58.65 57.60 2diu h GLN 63 Cb 2.03 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 29.54 2diu h GLN 63 CO 0.06 1.10 -0.71 1.57 0.00 0.00 0.00 178.83 180.85 2diu h LYS 64 N 0.53 0.17 0.10 1.69 5.09 -0.72 -2.73 116.57 120.71 2diu h LYS 64 Ca 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 60.65 60.61 2diu h LYS 64 Cb 1.04 0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.40 2diu h LYS 64 CO 0.10 0.81 -0.05 -0.09 -2.09 0.00 0.00 179.45 178.13 2diu h ARG 65 N 0.12 -0.14 -0.47 0.07 9.65 -1.51 -3.31 114.38 118.80 2diu h ARG 65 Ca -0.02 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 2diu h ARG 65 Cb 1.26 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 29.78 2diu h ARG 65 CO 0.11 -0.09 -0.45 0.52 2.80 0.00 0.00 179.97 182.86 2diu h MET 66 N -0.46 -0.29 -1.82 0.20 2.86 -1.22 0.58 114.93 114.78 2diu h MET 66 Ca -0.01 0.02 0.54 0.00 -2.06 0.00 0.00 59.70 58.18 2diu h MET 66 Cb 0.11 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 2diu h MET 66 CO 0.02 -0.19 1.29 -0.85 1.06 0.00 0.00 176.91 178.24 2diu n GLU 67 N -5.41 -0.01 -0.05 1.72 0.28 -1.03 0.23 120.64 116.38 2diu n GLU 67 Ca -0.00 1.06 0.01 0.00 -0.16 0.00 0.00 57.16 58.07 2diu n GLU 67 Cb 0.35 -2.40 -0.16 0.00 1.43 0.00 0.00 31.44 30.66 2diu n GLU 67 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2diu n ASN 68 N -3.96 0.22 -4.59 -1.84 4.13 0.12 -4.43 115.26 104.92 2diu n ASN 68 Ca 0.42 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.39 2diu n ASN 68 Cb 1.88 1.48 0.21 0.00 -1.54 0.00 0.00 39.78 41.80 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 -2.97 -0.02 -0.45 3.52 2.56 0.64 -4.87 118.70 117.11 2diu s GLU 69 Ca -0.09 0.91 0.03 0.00 0.00 0.00 0.00 54.97 55.82 2diu s GLU 69 Cb 0.10 -1.65 0.13 0.00 2.00 0.00 0.00 34.13 34.70 2diu s GLU 69 CO 0.83 -3.14 0.23 0.16 -0.56 0.00 0.00 175.26 172.78 2diu s ASP 70 N -2.84 3.90 0.19 -1.70 1.47 -1.26 -3.20 116.67 113.23 2diu s ASP 70 Ca 0.67 -2.66 -0.19 0.00 1.18 0.00 0.00 52.55 51.55 2diu s ASP 70 Cb -0.22 -1.22 0.14 0.00 -0.34 0.00 0.00 42.92 41.27 2diu s ASP 70 CO 0.61 -0.27 1.38 0.55 0.68 0.00 0.00 175.17 178.12 2diu n VAL 71 N 3.52 -0.51 -3.15 2.11 3.14 -1.12 -4.38 118.33 117.95 2diu n VAL 71 Ca 0.07 2.10 0.04 0.00 -2.96 0.00 0.00 64.34 63.59 2diu n VAL 71 Cb 0.34 -2.73 -0.01 0.00 -1.06 0.00 0.00 33.84 30.39 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 -5.73 -1.48 -0.35 1.45 0.08 -1.26 -4.92 117.98 105.76 2diu s PHE 72 Ca -0.12 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.22 2diu s PHE 72 Cb 0.16 0.41 0.00 0.00 -0.57 0.00 0.00 43.02 43.02 2diu s PHE 72 CO 0.61 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 2diu n GLY 73 N 5.41 0.12 3.59 4.36 0.00 -1.26 -4.82 105.19 112.59 2diu n GLY 73 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.47 -0.82 0.57 1.61 2.47 -1.26 -5.16 114.94 110.87 2diu s ASN 74 Ca 0.00 1.40 -0.18 0.00 0.42 0.00 0.00 52.86 54.51 2diu s ASN 74 Cb 0.00 1.33 -0.05 0.00 -1.45 0.00 0.00 41.25 41.09 2diu s ASN 74 CO 0.00 -0.23 1.08 -0.13 -3.72 0.00 0.00 177.10 174.10 2diu s ARG 75 N 1.11 3.36 0.16 0.43 0.52 -1.26 -2.81 118.95 120.45 2diu s ARG 75 Ca -0.06 1.38 0.09 0.00 -0.52 0.00 0.00 55.73 56.61 2diu s ARG 75 Cb -0.05 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2diu s ARG 75 CO -0.11 -0.80 -0.19 0.96 0.02 0.00 0.00 175.30 175.18 2diu s ILE 76 N -2.15 1.86 0.01 1.52 -4.36 -1.19 -4.77 121.20 112.12 2diu s ILE 76 Ca 0.67 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 59.21 2diu s ILE 76 Cb -0.19 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 2diu s ILE 76 CO 0.31 -0.27 -0.06 -0.63 0.24 0.00 0.00 174.94 174.53 2diu s ILE 77 N -1.92 3.69 -0.08 8.37 1.01 -0.44 -3.86 121.20 127.96 2diu s ILE 77 Ca 0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 2diu s ILE 77 Cb -0.06 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2diu s ILE 77 CO 0.07 0.37 -0.05 -0.69 0.00 0.00 0.00 174.94 174.64 2diu s VAL 78 N -1.02 0.72 0.08 2.92 1.01 -1.26 0.32 120.40 123.16 2diu s VAL 78 Ca 0.18 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2diu s VAL 78 Cb -0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2diu s VAL 78 CO 0.08 0.30 -0.11 -0.55 0.00 0.00 0.00 175.10 174.83 2diu s SER 79 N 1.55 1.39 0.25 3.32 0.15 0.29 -4.87 113.70 115.78 2diu s SER 79 Ca 0.00 -0.72 0.16 0.00 0.70 0.00 0.00 55.95 56.09 2diu s SER 79 Cb -0.13 0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.23 2diu s SER 79 CO -0.05 -0.21 1.33 -0.26 1.20 0.00 0.00 173.24 175.26 2diu h PHE 80 N 3.90 0.00 -2.41 3.44 -1.00 -1.86 0.79 116.94 119.80 2diu h PHE 80 Ca -0.38 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.84 2diu h PHE 80 Cb 1.19 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.67 2diu h PHE 80 CO 0.64 0.46 -0.61 0.95 -1.61 0.00 0.00 178.31 178.13 2diu s THR 81 N -2.99 3.83 0.76 -1.55 -4.23 -1.26 -4.76 115.64 105.44 2diu s THR 81 Ca 0.03 -1.61 -0.11 0.00 -1.18 0.00 0.00 61.69 58.82 2diu s THR 81 Cb 0.08 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.95 2diu s THR 81 CO 0.75 -0.28 1.09 -2.16 -0.54 0.00 0.00 174.62 173.48 2diu s PRO 82 N -3.49 2.31 -0.82 3.99 0.04 -1.26 -4.88 135.00 130.89 2diu s PRO 82 Ca 0.31 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 2diu s PRO 82 Cb -0.08 -1.90 0.26 0.00 0.04 0.00 0.00 34.50 32.82 2diu s PRO 82 CO 0.21 -1.61 2.20 1.63 0.04 0.00 0.00 177.00 179.47 2diu n LYS 83 N -3.39 3.22 -0.07 4.56 4.76 -1.26 -4.57 118.16 121.41 2diu n LYS 83 Ca 0.09 -3.42 -0.20 0.00 -2.87 0.00 0.00 58.31 51.92 2diu n LYS 83 Cb 0.53 -2.30 -0.12 0.00 -1.84 0.00 0.00 35.03 31.30 2diu n LYS 83 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 2diu h ASN 84 N 3.29 0.09 -5.23 4.39 -0.73 -2.07 -3.49 115.58 111.85 2diu h ASN 84 Ca 0.53 -0.72 -0.10 0.00 1.87 0.00 0.00 56.30 57.88 2diu h ASN 84 Cb 0.25 -0.03 -0.13 0.00 0.27 0.00 0.00 38.32 38.68 2diu h ASN 84 CO 1.27 1.40 -0.32 -0.13 -0.37 0.00 0.00 177.43 179.27 2diu s ARG 85 N -2.35 1.07 -0.12 6.67 0.52 -1.26 -5.16 118.95 118.31 2diu s ARG 85 Ca -0.24 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 2diu s ARG 85 Cb 0.03 0.37 0.01 0.00 0.52 0.00 0.00 34.95 35.89 2diu s ARG 85 CO 0.66 -0.38 -0.17 -2.00 0.02 0.00 0.00 175.30 173.43 2diu s GLU 86 N -3.93 2.45 0.08 3.54 2.56 -1.26 -5.06 118.70 117.08 2diu s GLU 86 Ca 0.13 -0.64 -0.27 0.00 0.00 0.00 0.00 54.97 54.20 2diu s GLU 86 Cb 0.04 -2.07 0.08 0.00 2.00 0.00 0.00 34.13 34.18 2diu s GLU 86 CO -0.03 -0.08 0.90 -0.48 -0.56 0.00 0.00 175.26 175.00 2diu s LEU 87 N 1.02 -0.29 -0.06 2.70 0.05 -1.26 -5.17 118.68 115.67 2diu s LEU 87 Ca -0.05 -0.19 0.05 0.00 0.05 0.00 0.00 54.13 53.99 2diu s LEU 87 Cb -0.15 2.14 -0.01 0.00 -2.05 0.00 0.00 46.19 46.12 2diu s LEU 87 CO -0.03 -0.78 -0.22 0.00 -0.55 0.00 0.00 176.35 174.76 2diu s GLU 89 N -0.02 0.86 -0.26 0.00 2.12 -1.26 -5.15 118.70 114.98 2diu s GLU 89 Ca -0.06 -1.20 -0.09 0.00 0.36 0.00 0.00 54.97 53.98 2diu s GLU 89 Cb -0.14 -0.49 0.11 0.00 0.26 0.00 0.00 34.13 33.88 2diu s GLU 89 CO 0.04 0.07 0.57 0.99 -0.54 0.00 0.00 175.26 176.38 2diu s THR 90 N -2.67 -0.85 -0.26 -1.70 2.01 -1.26 -5.13 115.64 105.78 2diu s THR 90 Ca 0.07 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2diu s THR 90 Cb -0.01 -0.88 0.07 0.00 0.01 0.00 0.00 72.50 71.69 2diu s THR 90 CO -0.01 0.03 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.49 2diu s SER 91 N 2.76 4.04 -0.52 3.53 0.01 -1.26 -5.05 113.70 117.21 2diu s SER 91 Ca -0.05 -1.40 0.04 0.00 1.31 0.00 0.00 55.95 55.85 2diu s SER 91 Cb -0.12 -1.22 0.16 0.00 0.21 0.00 0.00 66.02 65.05 2diu s SER 91 CO -0.17 -0.28 0.36 -0.83 0.41 0.00 0.00 173.24 172.73 2diu s GLY 92 N 1.34 1.96 0.70 3.44 0.00 -1.26 -5.12 107.32 108.38 2diu s GLY 92 Ca -0.01 -2.98 -0.12 0.00 0.00 0.00 0.00 44.72 41.62 2diu s GLY 92 CO -0.09 1.57 0.62 -1.55 0.00 0.00 0.00 173.10 173.65 2diu n PRO 93 N 2.78 -2.24 -4.13 2.90 -0.04 -1.26 -5.10 135.00 127.91 2diu n PRO 93 Ca 0.19 -1.00 -0.13 0.00 -0.04 0.00 0.00 63.50 62.52 2diu n PRO 93 Cb 0.39 -0.94 -0.07 0.00 -0.04 0.00 0.00 33.50 32.84 2diu n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2diu s SER 94 N -3.19 0.50 -0.02 3.54 0.01 -1.26 -5.18 113.70 108.10 2diu s SER 94 Ca 0.41 -1.35 -0.28 0.00 1.31 0.00 0.00 55.95 56.03 2diu s SER 94 Cb -0.04 0.53 0.09 0.00 0.21 0.00 0.00 66.02 66.81 2diu s SER 94 CO 0.31 -1.06 0.80 -0.94 0.41 0.00 0.00 173.24 172.76 2diu s SER 95 N -3.17 -0.48 0.00 2.44 1.04 -1.26 -5.36 113.70 106.90 2diu s SER 95 Ca 0.33 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2diu s SER 95 Cb 0.03 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2diu s SER 95 CO 0.16 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.36