#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 0.81 -4.15 1.61 7.64 -1.26 -4.99 113.62 113.28 2diu n SER 2 Ca 0.00 0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.62 2diu n SER 2 Cb 0.00 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 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 -5.72 5.22 0.00 6.43 0.15 -1.26 -4.92 113.70 113.60 2diu s SER 3 Ca -0.00 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 54.87 2diu s SER 3 Cb 0.00 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2diu s SER 3 CO 0.01 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2diu n GLY 4 N 4.64 -0.91 3.42 9.45 0.00 -1.26 -5.06 105.19 115.48 2diu n GLY 4 Ca -0.06 0.64 -0.45 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.00 6.87 0.20 1.61 0.01 -1.26 -4.90 113.70 112.23 2diu s SER 5 Ca 0.00 -2.61 -0.10 0.00 1.31 0.00 0.00 55.95 54.55 2diu s SER 5 Cb 0.00 -2.35 0.28 0.00 0.21 0.00 0.00 66.02 64.16 2diu s SER 5 CO 0.00 -0.80 1.22 -1.20 0.41 0.00 0.00 173.24 172.87 2diu n SER 6 N 5.45 -0.39 -4.73 2.44 7.64 -1.26 -4.19 113.62 118.58 2diu n SER 6 Ca 0.26 1.36 -0.41 0.00 1.01 0.00 0.00 58.87 61.09 2diu n SER 6 Cb 0.46 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 2diu n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2diu s GLY 7 N -3.89 2.78 0.17 0.23 0.00 -1.26 -5.03 107.32 100.32 2diu s GLY 7 Ca -0.11 0.77 -0.22 0.00 0.00 0.00 0.00 44.72 45.15 2diu s GLY 7 CO 0.59 1.71 0.60 0.00 0.00 0.00 0.00 173.10 176.00 2diu n HIS 9 N -0.38 -0.70 -4.06 0.00 -0.00 -1.22 -4.58 115.22 104.28 2diu n HIS 9 Ca -0.16 0.44 -0.32 0.00 -0.00 0.00 0.00 57.72 57.68 2diu n HIS 9 Cb 0.64 -1.95 -0.15 0.00 -0.00 0.00 0.00 29.99 28.53 2diu n HIS 9 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2diu s THR 10 N -1.72 2.23 0.13 1.59 2.01 0.80 -4.92 115.64 115.76 2diu s THR 10 Ca 0.69 -1.67 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 2diu s THR 10 Cb -0.45 -2.34 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 2diu s THR 10 CO 0.54 -0.07 0.56 -0.76 -0.69 0.00 0.00 174.62 174.20 2diu s LEU 11 N 1.10 4.39 0.17 4.42 1.43 -1.26 -0.84 118.68 128.08 2diu s LEU 11 Ca -0.07 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2diu s LEU 11 Cb -0.20 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2diu s LEU 11 CO -0.05 0.14 0.01 -0.76 0.23 0.00 0.00 176.35 175.93 2diu s LEU 12 N -1.74 3.36 -0.25 1.79 1.43 -0.97 -4.78 118.68 117.52 2diu s LEU 12 Ca 0.36 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2diu s LEU 12 Cb -0.16 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.12 2diu s LEU 12 CO 0.19 0.09 -0.06 -0.31 0.23 0.00 0.00 176.35 176.49 2diu s TYR 13 N -1.73 2.65 0.12 0.29 2.02 0.61 -2.17 117.35 119.14 2diu s TYR 13 Ca 0.28 -1.95 -0.07 0.00 -0.37 0.00 0.00 57.07 54.96 2diu s TYR 13 Cb -0.09 -1.73 -0.06 0.00 -0.40 0.00 0.00 41.96 39.68 2diu s TYR 13 CO 0.19 -0.81 0.38 0.08 -1.57 0.00 0.00 175.55 173.82 2diu s VAL 14 N 1.31 5.14 0.23 0.71 1.01 0.27 -0.14 120.40 128.93 2diu s VAL 14 Ca -0.06 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2diu s VAL 14 Cb -0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2diu s VAL 14 CO -0.06 0.13 0.18 -0.31 0.00 0.00 0.00 175.10 175.04 2diu s TYR 15 N -1.57 1.22 -1.17 5.22 1.51 0.29 -1.38 117.35 121.47 2diu s TYR 15 Ca 0.38 -1.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.03 2diu s TYR 15 Cb -0.13 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 2diu s TYR 15 CO 0.22 -0.71 0.97 0.09 -1.11 0.00 0.00 175.55 175.01 2diu n ASN 16 N -0.53 -3.02 -4.91 2.29 4.13 -0.52 -1.36 115.26 111.34 2diu n ASN 16 Ca 0.03 -0.65 -0.29 0.00 1.68 0.00 0.00 54.58 55.35 2diu n ASN 16 Cb 0.65 -5.11 -0.04 0.00 -1.54 0.00 0.00 39.78 33.75 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 -6.16 4.17 -0.98 3.41 1.43 -0.53 -4.35 118.68 115.67 2diu s LEU 17 Ca 0.10 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 2diu s LEU 17 Cb -0.01 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 2diu s LEU 17 CO 0.74 -0.08 1.94 -2.16 0.23 0.00 0.00 176.35 177.02 2diu s PRO 18 N -3.24 2.54 0.14 1.29 0.04 -1.26 -4.78 135.00 129.72 2diu s PRO 18 Ca 0.41 -0.54 -0.22 0.00 0.04 0.00 0.00 61.00 60.69 2diu s PRO 18 Cb -0.11 -5.11 -0.01 0.00 0.04 0.00 0.00 34.50 29.31 2diu s PRO 18 CO 0.28 -3.55 1.66 0.00 0.04 0.00 0.00 177.00 175.43 2diu h ALA 19 N 10.84 -0.10 -0.74 8.56 0.00 -1.94 -2.27 119.26 133.61 2diu h ALA 19 Ca 0.13 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2diu h ALA 19 Cb 0.99 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 2diu h ALA 19 CO 1.21 -0.63 -0.18 -0.97 0.00 0.00 0.00 179.25 178.69 2diu h ASN 20 N -0.22 -0.67 -2.05 0.00 -0.73 -2.01 -3.38 115.58 106.52 2diu h ASN 20 Ca 0.11 0.22 -0.58 0.00 1.87 0.00 0.00 56.30 57.92 2diu h ASN 20 Cb 0.37 0.45 0.00 0.00 0.27 0.00 0.00 38.32 39.42 2diu h ASN 20 CO -0.28 -0.24 1.45 0.29 -0.37 0.00 0.00 177.43 178.28 2diu n LYS 21 N -5.48 2.14 -1.21 6.67 4.76 -0.86 -4.81 118.16 119.36 2diu n LYS 21 Ca 0.10 0.64 -0.47 0.00 -2.87 0.00 0.00 58.31 55.70 2diu n LYS 21 Cb 0.38 -3.19 -0.07 0.00 -1.84 0.00 0.00 35.03 30.31 2diu n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2diu n ASP 22 N 10.89 0.52 -0.15 4.39 8.00 -1.26 -4.56 116.55 134.38 2diu n ASP 22 Ca 0.28 0.87 -0.09 0.00 0.71 0.00 0.00 54.79 56.55 2diu n ASP 22 Cb 0.44 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.81 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 3.07 -1.31 -0.74 0.44 0.00 -1.87 0.11 103.07 102.78 2diu h GLY 23 Ca -0.35 0.79 0.29 0.00 0.00 0.00 0.00 47.33 48.07 2diu h GLY 23 CO 0.62 -0.29 0.34 0.28 0.00 0.00 0.00 176.54 177.50 2diu n LYS 24 N -4.61 -0.05 -0.04 4.80 5.02 -1.26 0.22 118.16 122.23 2diu n LYS 24 Ca -0.02 1.03 -0.14 0.00 -2.02 0.00 0.00 58.31 57.16 2diu n LYS 24 Cb 0.23 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 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 0.44 -0.14 4.39 0.02 -1.13 -3.29 113.55 113.85 2diu h SER 25 Ca 0.60 -0.57 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2diu h SER 25 Cb 1.55 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.92 2diu h SER 25 CO -0.58 0.93 -0.12 0.58 -1.14 0.00 0.00 176.83 176.49 2diu h VAL 26 N -0.03 0.65 -1.14 2.27 2.07 0.33 -1.57 116.25 118.83 2diu h VAL 26 Ca 0.00 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.89 2diu h VAL 26 Cb 0.86 0.65 -0.14 0.00 -1.52 0.00 0.00 31.29 31.15 2diu h VAL 26 CO 0.06 0.00 0.70 0.28 0.02 0.00 0.00 177.57 178.62 2diu h SER 27 N -0.14 0.37 0.50 0.57 0.02 -1.22 -0.85 113.55 112.79 2diu h SER 27 Ca 0.09 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2diu h SER 27 Cb 0.28 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2diu h SER 27 CO -0.22 -0.17 -0.24 -1.13 -1.14 0.00 0.00 176.83 173.93 2diu h ASN 28 N 0.19 -0.57 -0.99 3.07 -1.24 -1.36 0.27 115.58 114.95 2diu h ASN 28 Ca 0.77 0.02 0.30 0.00 0.71 0.00 0.00 56.30 58.10 2diu h ASN 28 Cb 2.10 0.15 -0.18 0.00 0.73 0.00 0.00 38.32 41.11 2diu h ASN 28 CO -0.51 -0.32 0.12 -0.09 -1.29 0.00 0.00 177.43 175.34 2diu h ARG 29 N -0.86 0.01 0.02 6.67 9.65 -1.03 0.14 114.38 128.98 2diu h ARG 29 Ca -0.07 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2diu h ARG 29 Cb 0.52 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2diu h ARG 29 CO 0.11 0.01 -0.01 -0.07 2.80 0.00 0.00 179.97 182.81 2diu h LEU 30 N 0.01 -0.02 -0.81 3.80 4.07 -1.38 -3.27 115.31 117.70 2diu h LEU 30 Ca 0.65 -0.61 0.25 0.00 0.08 0.00 0.00 57.88 58.24 2diu h LEU 30 Cb 1.42 0.01 -0.15 0.00 1.08 0.00 0.00 40.66 43.01 2diu h LEU 30 CO -0.90 0.62 0.09 0.54 -1.08 0.00 0.00 178.44 177.71 2diu n ARG 31 N -4.79 -0.06 -0.23 1.13 1.74 0.95 0.23 116.66 115.63 2diu n ARG 31 Ca -0.09 1.20 -0.07 0.00 -0.77 0.00 0.00 57.85 58.13 2diu n ARG 31 Cb 0.32 -1.95 0.04 0.00 -1.02 0.00 0.00 32.46 29.84 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 0.92 0.00 5.56 2.47 -1.47 0.33 114.38 122.19 2diu h ARG 32 Ca 0.53 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2diu h ARG 32 Cb 1.17 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2diu h ARG 32 CO -0.74 0.75 -0.10 -0.07 0.56 0.00 0.00 179.97 180.37 2diu h LEU 33 N 0.88 0.00 0.11 3.04 3.38 0.28 -2.40 115.31 120.60 2diu h LEU 33 Ca 0.22 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.84 2diu h LEU 33 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2diu h LEU 33 CO -0.03 0.10 -1.87 -1.28 0.09 0.00 0.00 178.44 175.45 2diu h SER 34 N 0.00 0.37 -0.38 -0.43 0.87 -0.50 -3.14 113.55 110.34 2diu h SER 34 Ca -0.00 -0.75 0.05 0.00 -1.23 0.00 0.00 61.79 59.85 2diu h SER 34 Cb 0.22 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2diu h SER 34 CO 0.01 1.67 0.12 -0.78 -0.53 0.00 0.00 176.83 177.32 2diu h ASP 35 N 0.07 0.11 -0.24 6.23 3.58 -0.04 1.61 116.42 127.74 2diu h ASP 35 Ca -0.37 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.02 2diu h ASP 35 Cb 2.04 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 43.13 2diu h ASP 35 CO 0.11 0.10 -0.25 -1.13 -2.88 0.00 0.00 179.24 175.19 2diu h ASN 36 N 0.27 0.64 -0.26 2.28 -0.73 -1.61 -3.00 115.58 113.17 2diu h ASN 36 Ca 0.18 -0.47 -0.14 0.00 1.87 0.00 0.00 56.30 57.73 2diu h ASN 36 Cb 0.17 -0.18 -0.08 0.00 0.27 0.00 0.00 38.32 38.50 2diu h ASN 36 CO -0.19 0.98 0.18 0.00 -0.37 0.00 0.00 177.43 178.03 2diu n GLY 38 N 0.16 -1.09 3.47 0.00 0.00 -0.42 -4.67 105.19 102.64 2diu n GLY 38 Ca 0.16 0.69 -0.15 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.76 1.58 -0.13 -0.02 0.00 0.54 -4.46 107.32 102.08 2diu s GLY 39 Ca 0.06 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 43.15 2diu s GLY 39 CO 0.89 -1.05 0.27 1.25 0.00 0.00 0.00 173.10 174.46 2diu s LYS 40 N -3.09 0.20 -0.93 2.90 2.47 -0.85 -4.14 119.74 116.30 2diu s LYS 40 Ca 0.32 0.67 -0.24 0.00 -1.56 0.00 0.00 55.97 55.16 2diu s LYS 40 Cb -0.00 -0.05 0.02 0.00 -1.46 0.00 0.00 37.83 36.33 2diu s LYS 40 CO 0.21 -0.22 1.58 0.54 0.16 0.00 0.00 175.35 177.62 2diu s VAL 41 N 1.87 3.74 0.13 4.02 0.11 -1.26 0.83 120.40 129.83 2diu s VAL 41 Ca -0.04 -0.45 -0.29 0.00 -2.93 0.00 0.00 61.98 58.27 2diu s VAL 41 Cb -0.11 -4.70 -0.06 0.00 -1.53 0.00 0.00 36.38 29.98 2diu s VAL 41 CO -0.09 -1.61 1.59 -0.07 -3.33 0.00 0.00 175.10 171.59 2diu h LEU 42 N 14.37 -1.24 -7.70 2.54 3.38 -1.41 -3.46 115.31 121.78 2diu h LEU 42 Ca 0.08 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.27 2diu h LEU 42 Cb 1.02 0.50 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 2diu h LEU 42 CO 1.34 -0.43 0.25 -0.44 0.09 0.00 0.00 178.44 179.26 2diu s SER 43 N -4.85 -0.33 -0.23 -0.43 0.01 -1.11 -5.05 113.70 101.71 2diu s SER 43 Ca -0.16 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 2diu s SER 43 Cb 0.09 0.67 0.07 0.00 0.21 0.00 0.00 66.02 67.07 2diu s SER 43 CO 0.64 -1.20 0.08 -0.63 0.41 0.00 0.00 173.24 172.54 2diu s ILE 44 N -3.81 0.26 -0.06 1.44 1.01 -1.26 -1.64 121.20 117.14 2diu s ILE 44 Ca 0.08 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2diu s ILE 44 Cb -0.04 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 2diu s ILE 44 CO 0.01 -0.42 -0.21 0.28 0.00 0.00 0.00 174.94 174.60 2diu s THR 45 N 1.96 2.40 0.00 2.92 -1.32 -1.09 -5.00 115.64 115.52 2diu s THR 45 Ca 0.04 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2diu s THR 45 Cb -0.17 -1.90 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 2diu s THR 45 CO -0.17 0.57 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 2diu n GLY 46 N 2.79 1.48 1.20 6.08 0.00 -1.26 -2.10 105.19 113.39 2diu n GLY 46 Ca -0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 1.43 0.06 0.00 1.04 -0.89 -1.44 113.70 113.80 2diu s SER 48 Ca 0.20 -1.49 -0.17 0.00 0.48 0.00 0.00 55.95 54.98 2diu s SER 48 Cb 0.16 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2diu s SER 48 CO 0.05 -0.82 0.38 0.00 0.98 0.00 0.00 173.24 173.83 2diu s ALA 49 N -3.66 -0.90 -0.13 5.32 0.00 -0.48 -2.65 121.76 119.25 2diu s ALA 49 Ca 0.36 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2diu s ALA 49 Cb 0.06 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2diu s ALA 49 CO 0.16 -0.49 -0.12 0.42 0.00 0.00 0.00 175.76 175.73 2diu s ILE 50 N -2.79 1.38 0.38 0.00 1.01 -0.65 -0.56 121.20 119.96 2diu s ILE 50 Ca -0.03 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.17 2diu s ILE 50 Cb -0.00 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2diu s ILE 50 CO -0.05 0.43 0.34 -0.76 0.00 0.00 0.00 174.94 174.90 2diu s LEU 51 N 1.48 3.46 -0.19 2.97 1.02 -0.92 -1.10 118.68 125.40 2diu s LEU 51 Ca 0.03 -0.66 -0.01 0.00 0.02 0.00 0.00 54.13 53.51 2diu s LEU 51 Cb -0.13 -2.10 0.05 0.00 0.02 0.00 0.00 46.19 44.03 2diu s LEU 51 CO -0.09 -0.53 -0.01 -0.60 0.02 0.00 0.00 176.35 175.14 2diu s ARG 52 N -4.07 1.10 0.18 1.70 6.06 0.24 -2.30 118.95 121.86 2diu s ARG 52 Ca 0.45 -0.55 0.08 0.00 -2.50 0.00 0.00 55.73 53.21 2diu s ARG 52 Cb -0.04 -2.13 -0.04 0.00 0.06 0.00 0.00 34.95 32.80 2diu s ARG 52 CO 0.27 -0.55 -0.00 -0.06 -2.50 0.00 0.00 175.30 172.46 2diu s PHE 53 N 1.69 2.82 0.07 5.12 0.40 -0.02 -2.01 117.98 126.04 2diu s PHE 53 Ca -0.01 -0.15 -0.27 0.00 -0.60 0.00 0.00 56.93 55.89 2diu s PHE 53 Cb -0.17 -1.35 -0.17 0.00 0.51 0.00 0.00 43.02 41.84 2diu s PHE 53 CO -0.07 0.53 1.61 0.97 0.70 0.00 0.00 175.22 178.95 2diu h ILE 54 N 2.41 0.72 -4.32 0.64 6.09 -1.83 0.23 117.51 121.45 2diu h ILE 54 Ca -0.47 -0.13 -0.34 0.00 -1.37 0.00 0.00 64.86 62.56 2diu h ILE 54 Cb 1.21 0.79 -0.14 0.00 0.47 0.00 0.00 36.82 39.14 2diu h ILE 54 CO 0.58 0.03 -0.58 0.20 -3.07 0.00 0.00 178.15 175.30 2diu s ASN 55 N -4.89 0.93 0.09 2.19 0.01 -1.26 -3.44 114.94 108.57 2diu s ASN 55 Ca -0.15 -1.49 -0.32 0.00 -0.71 0.00 0.00 52.86 50.19 2diu s ASN 55 Cb 0.04 0.37 -0.14 0.00 0.41 0.00 0.00 41.25 41.93 2diu s ASN 55 CO 0.63 -0.87 1.51 -0.61 -1.51 0.00 0.00 177.10 176.26 2diu h GLN 56 N 2.40 -0.75 -0.35 -0.60 4.15 -1.90 -2.55 115.11 115.51 2diu h GLN 56 Ca -0.34 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.16 2diu h GLN 56 Cb 1.25 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 29.07 2diu h GLN 56 CO 0.52 -0.50 -0.21 -3.47 -1.93 0.00 0.00 178.83 173.24 2diu n ASP 57 N -5.26 -0.37 -0.25 -0.69 -0.08 -1.26 0.64 116.55 109.28 2diu n ASP 57 Ca -0.09 1.02 0.03 0.00 -1.51 0.00 0.00 54.79 54.24 2diu n ASP 57 Cb 0.40 -0.28 0.12 0.00 2.34 0.00 0.00 41.12 43.70 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 -0.52 -0.91 1.67 0.02 -1.86 0.33 113.55 112.28 2diu h SER 58 Ca 0.06 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2diu h SER 58 Cb 0.14 0.40 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2diu h SER 58 CO -0.33 -0.21 0.59 0.00 -1.14 0.00 0.00 176.83 175.73 2diu h ALA 59 N 1.72 1.32 0.23 3.77 0.00 0.63 -3.17 119.26 123.76 2diu h ALA 59 Ca 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2diu h ALA 59 Cb 0.62 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2diu h ALA 59 CO -0.71 0.61 -0.18 0.93 0.00 0.00 0.00 179.25 179.91 2diu h GLU 60 N 1.24 -0.38 -1.49 0.00 5.08 0.35 0.19 114.58 119.57 2diu h GLU 60 Ca 0.33 0.03 0.46 0.00 -1.00 0.00 0.00 59.36 59.18 2diu h GLU 60 Cb -0.12 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.12 2diu h GLU 60 CO -0.07 -0.25 1.03 0.54 -1.00 0.00 0.00 179.01 179.26 2diu n ARG 61 N -3.37 -0.01 0.10 2.33 1.74 -0.86 0.23 116.66 116.81 2diu n ARG 61 Ca -0.05 1.02 -0.24 0.00 -0.77 0.00 0.00 57.85 57.81 2diu n ARG 61 Cb 0.17 -2.18 -0.15 0.00 -1.02 0.00 0.00 32.46 29.28 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 0.03 0.00 7.54 0.00 -1.36 -2.91 119.26 123.67 2diu h ALA 62 Ca 0.80 -1.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2diu h ALA 62 Cb 2.93 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 21.07 2diu h ALA 62 CO -0.19 0.89 -0.35 0.37 0.00 0.00 0.00 179.25 179.96 2diu h GLN 63 N 0.11 0.00 0.00 0.00 -0.00 0.60 0.21 115.11 116.03 2diu h GLN 63 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 2diu h GLN 63 Cb 2.12 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.60 2diu h GLN 63 CO 0.21 0.35 -0.42 1.57 0.00 0.00 0.00 178.83 180.54 2diu h LYS 64 N 0.00 0.00 0.00 1.69 5.09 -0.52 -3.18 116.57 119.64 2diu h LYS 64 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2diu h LYS 64 Cb 0.64 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.97 2diu h LYS 64 CO 0.05 0.00 -0.50 -2.13 -2.09 0.00 0.00 179.45 174.77 2diu n ARG 65 N -2.85 0.38 -0.22 0.07 3.00 -0.92 -4.42 116.66 111.70 2diu n ARG 65 Ca 0.02 0.40 0.02 0.00 -0.00 0.00 0.00 57.85 58.29 2diu n ARG 65 Cb 0.53 -1.44 0.12 0.00 0.00 0.00 0.00 32.46 31.66 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 -0.80 0.10 -1.55 -0.14 2.86 -0.80 0.21 114.93 114.81 2diu h MET 66 Ca 0.00 -0.01 0.51 0.00 -2.06 0.00 0.00 59.70 58.14 2diu h MET 66 Cb 0.50 -0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.02 2diu h MET 66 CO 0.00 0.07 1.04 1.05 1.06 0.00 0.00 176.91 180.13 2diu h GLU 67 N 0.11 0.00 0.00 1.72 4.11 -1.70 1.38 114.58 120.19 2diu h GLU 67 Ca 0.35 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.72 2diu h GLU 67 Cb 0.58 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2diu h GLU 67 CO -0.58 0.00 -2.03 0.09 0.07 0.00 0.00 179.01 176.56 2diu n ASN 68 N -4.52 0.17 -4.76 3.06 4.13 0.53 -4.37 115.26 109.49 2diu n ASN 68 Ca 0.42 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 56.29 2diu n ASN 68 Cb 1.70 1.80 0.01 0.00 -1.54 0.00 0.00 39.78 41.74 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 -3.30 3.66 -0.56 3.52 -6.30 0.47 -4.86 118.70 111.34 2diu s GLU 69 Ca -0.08 2.06 0.02 0.00 -2.50 0.00 0.00 54.97 54.47 2diu s GLU 69 Cb 0.12 -2.50 0.14 0.00 0.00 0.00 0.00 34.13 31.89 2diu s GLU 69 CO 0.87 -0.71 0.33 0.16 0.02 0.00 0.00 175.26 175.92 2diu s ASP 70 N -0.99 4.60 0.13 -1.70 -4.77 -1.26 -2.91 116.67 109.76 2diu s ASP 70 Ca 0.63 -3.03 -0.19 0.00 -3.30 0.00 0.00 52.55 46.66 2diu s ASP 70 Cb -0.36 -1.70 0.02 0.00 -1.09 0.00 0.00 42.92 39.79 2diu s ASP 70 CO 0.44 -0.26 1.09 0.52 0.70 0.00 0.00 175.17 177.66 2diu n VAL 71 N 3.13 -0.45 -3.20 2.11 0.31 -1.21 -4.25 118.33 114.77 2diu n VAL 71 Ca 0.07 1.69 0.00 0.00 -0.01 0.00 0.00 64.34 66.09 2diu n VAL 71 Cb 0.34 -2.13 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 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 -5.44 -1.48 -0.85 3.52 0.08 -1.26 -4.93 117.98 107.61 2diu s PHE 72 Ca -0.09 1.25 -0.11 0.00 0.12 0.00 0.00 56.93 58.11 2diu s PHE 72 Cb 0.10 0.33 0.11 0.00 -0.57 0.00 0.00 43.02 42.99 2diu s PHE 72 CO 0.46 -0.92 0.27 0.41 -0.10 0.00 0.00 175.22 175.34 2diu n GLY 73 N 5.41 -0.45 3.37 4.36 0.00 -1.26 -4.83 105.19 111.79 2diu n GLY 73 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2diu n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2diu s ASN 74 N -2.55 -0.71 0.95 1.61 2.47 -1.26 -5.12 114.94 110.32 2diu s ASN 74 Ca 0.38 0.83 -0.11 0.00 0.42 0.00 0.00 52.86 54.38 2diu s ASN 74 Cb -0.22 1.75 0.16 0.00 -1.45 0.00 0.00 41.25 41.49 2diu s ASN 74 CO 0.46 -0.14 1.10 -0.60 -3.72 0.00 0.00 177.10 174.21 2diu s ARG 75 N 2.63 0.76 0.14 0.43 3.52 -1.26 -3.34 118.95 121.82 2diu s ARG 75 Ca -0.00 1.24 0.06 0.00 -0.13 0.00 0.00 55.73 56.89 2diu s ARG 75 Cb -0.08 -1.72 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 2diu s ARG 75 CO -0.17 -2.71 -0.13 0.96 -0.81 0.00 0.00 175.30 172.44 2diu s ILE 76 N -2.68 1.30 -0.14 4.11 -4.36 -1.15 -4.70 121.20 113.58 2diu s ILE 76 Ca 0.66 -1.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 2diu s ILE 76 Cb -0.22 -1.65 0.00 0.00 1.25 0.00 0.00 42.46 41.84 2diu s ILE 76 CO 0.59 -0.53 -0.19 -0.63 0.24 0.00 0.00 174.94 174.42 2diu s ILE 77 N -2.56 2.38 -0.16 8.37 1.01 -0.46 -4.10 121.20 125.68 2diu s ILE 77 Ca 0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 2diu s ILE 77 Cb -0.02 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2diu s ILE 77 CO 0.03 0.53 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 2diu s VAL 78 N 0.71 2.90 0.05 2.92 1.01 -1.26 0.10 120.40 126.83 2diu s VAL 78 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2diu s VAL 78 Cb -0.16 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2diu s VAL 78 CO 0.01 0.51 -0.07 -0.55 0.00 0.00 0.00 175.10 174.99 2diu s SER 79 N 0.76 0.84 0.27 3.32 0.15 0.81 -4.91 113.70 114.93 2diu s SER 79 Ca -0.05 -0.62 0.15 0.00 0.70 0.00 0.00 55.95 56.13 2diu s SER 79 Cb -0.15 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.26 2diu s SER 79 CO 0.01 -0.26 1.41 -0.26 1.20 0.00 0.00 173.24 175.34 2diu h PHE 80 N 4.27 0.00 -2.80 3.44 -1.00 -1.86 0.17 116.94 119.16 2diu h PHE 80 Ca -0.35 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.84 2diu h PHE 80 Cb 1.20 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.67 2diu h PHE 80 CO 0.64 0.50 -0.60 0.95 -1.61 0.00 0.00 178.31 178.19 2diu s THR 81 N -2.96 4.26 0.45 -1.55 -4.23 -1.26 -4.77 115.64 105.58 2diu s THR 81 Ca 0.04 -1.16 -0.23 0.00 -1.18 0.00 0.00 61.69 59.16 2diu s THR 81 Cb 0.08 -3.15 -0.07 0.00 1.34 0.00 0.00 72.50 70.69 2diu s THR 81 CO 0.75 -0.09 1.17 -2.16 -0.54 0.00 0.00 174.62 173.75 2diu s PRO 82 N -2.99 3.79 -0.19 3.99 0.04 -1.26 -4.88 135.00 133.50 2diu s PRO 82 Ca 0.30 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 2diu s PRO 82 Cb -0.10 -2.44 0.06 0.00 0.04 0.00 0.00 34.50 32.06 2diu s PRO 82 CO 0.22 -0.53 2.34 1.63 0.04 0.00 0.00 177.00 180.70 2diu n LYS 83 N -0.43 1.66 -0.08 4.56 4.76 -1.26 -4.26 118.16 123.11 2diu n LYS 83 Ca 0.07 -1.10 -0.07 0.00 -2.87 0.00 0.00 58.31 54.34 2diu n LYS 83 Cb 0.48 -1.54 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 2diu n LYS 83 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2diu n ASN 84 N 1.08 1.87 -4.90 4.39 2.85 -1.26 -4.98 115.26 114.31 2diu n ASN 84 Ca 0.25 0.48 -0.30 0.00 -0.11 0.00 0.00 54.58 54.90 2diu n ASN 84 Cb 0.60 -0.81 -0.04 0.00 1.24 0.00 0.00 39.78 40.77 2diu n ASN 84 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2diu s ARG 85 N -2.58 3.67 -0.10 1.20 1.81 -1.26 -4.97 118.95 116.72 2diu s ARG 85 Ca -0.22 0.07 0.01 0.00 -1.72 0.00 0.00 55.73 53.87 2diu s ARG 85 Cb 0.03 -2.65 0.16 0.00 -0.45 0.00 0.00 34.95 32.04 2diu s ARG 85 CO 0.33 0.25 1.13 -1.91 -0.68 0.00 0.00 175.30 174.42 2diu n GLU 86 N -0.70 1.41 -3.98 3.54 2.13 -1.26 -4.84 120.64 116.94 2diu n GLU 86 Ca -0.01 -0.71 -0.32 0.00 0.66 0.00 0.00 57.16 56.78 2diu n GLU 86 Cb 0.53 -1.35 -0.07 0.00 0.27 0.00 0.00 31.44 30.82 2diu n GLU 86 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2diu n LEU 87 N 0.12 -0.70 -2.34 4.31 -0.00 -1.26 -4.77 117.00 112.35 2diu n LEU 87 Ca 0.13 -1.02 -0.33 0.00 -0.00 0.00 0.00 56.01 54.79 2diu n LEU 87 Cb 0.72 -1.30 0.06 0.00 -0.00 0.00 0.00 43.42 42.90 2diu n LEU 87 CO 0.13 0.17 1.14 0.00 -0.00 0.00 0.00 177.39 178.82 2diu s GLU 89 N -3.80 1.14 0.13 0.00 2.12 -1.26 -5.11 118.70 111.92 2diu s GLU 89 Ca 0.60 -1.75 0.10 0.00 0.36 0.00 0.00 54.97 54.27 2diu s GLU 89 Cb 0.47 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.54 2diu s GLU 89 CO -0.06 -1.10 -0.24 -0.08 -0.54 0.00 0.00 175.26 173.23 2diu s THR 90 N 0.72 2.08 -0.02 -1.70 -1.32 -1.26 -5.12 115.64 109.01 2diu s THR 90 Ca 0.15 -1.73 -0.27 0.00 -1.21 0.00 0.00 61.69 58.64 2diu s THR 90 Cb -0.22 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 68.86 2diu s THR 90 CO -0.06 0.00 0.84 -0.44 -2.21 0.00 0.00 174.62 172.74 2diu s SER 91 N -2.11 7.19 0.89 8.08 0.01 -1.26 -4.91 113.70 121.60 2diu s SER 91 Ca 0.12 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2diu s SER 91 Cb -0.10 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2diu s SER 91 CO 0.06 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2diu n GLY 92 N 2.93 -0.50 3.67 3.44 0.00 -1.26 -4.61 105.19 108.87 2diu n GLY 92 Ca 0.02 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2diu n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diu s PRO 93 N 0.00 4.22 0.06 1.61 0.04 -1.26 -5.01 135.00 134.66 2diu s PRO 93 Ca 0.00 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 2diu s PRO 93 Cb 0.00 -3.81 -0.06 0.00 0.04 0.00 0.00 34.50 30.67 2diu s PRO 93 CO 0.00 -0.74 0.43 0.45 0.04 0.00 0.00 177.00 177.18 2diu s SER 94 N 2.62 6.73 -0.14 6.66 0.15 -1.26 -5.03 113.70 123.44 2diu s SER 94 Ca 0.67 0.90 -0.08 0.00 0.70 0.00 0.00 55.95 58.13 2diu s SER 94 Cb -0.30 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2diu s SER 94 CO 0.25 0.22 -0.16 0.28 1.20 0.00 0.00 173.24 175.03 2diu h SER 95 N 4.05 0.00 0.00 5.45 0.02 -1.98 -3.54 113.55 117.54 2diu h SER 95 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2diu h SER 95 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2diu h SER 95 CO 0.64 0.72 0.00 0.61 -1.14 0.00 0.00 176.83 177.67