#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu s SER 2 N 0.00 5.99 0.16 1.61 1.04 -1.26 -4.97 113.70 116.27 2diu s SER 2 Ca 0.00 0.09 0.14 0.00 0.48 0.00 0.00 55.95 56.66 2diu s SER 2 Cb 0.00 -2.07 -0.07 0.00 0.10 0.00 0.00 66.02 63.98 2diu s SER 2 CO 0.00 0.08 1.14 0.77 0.98 0.00 0.00 173.24 176.21 2diu h SER 3 N 7.42 0.00 -2.40 7.02 4.64 -2.14 -3.50 113.55 124.60 2diu h SER 3 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2diu h SER 3 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2diu h SER 3 CO 0.66 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.86 2diu n GLY 4 N 1.33 -2.28 2.07 -0.77 0.00 -1.26 -4.97 105.19 99.30 2diu n GLY 4 Ca -0.04 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 2diu n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2diu n SER 5 N 0.00 5.82 -3.68 1.61 3.41 -1.26 -4.98 113.62 114.54 2diu n SER 5 Ca 0.00 -3.77 -0.13 0.00 -0.26 0.00 0.00 58.87 54.71 2diu n SER 5 Cb 0.00 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.22 2diu n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diu s SER 6 N -2.65 -0.26 0.00 4.04 0.01 -1.26 -5.16 113.70 108.43 2diu s SER 6 Ca 0.57 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2diu s SER 6 Cb 0.46 0.41 0.00 0.00 0.21 0.00 0.00 66.02 67.09 2diu s SER 6 CO 0.02 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2diu n GLY 7 N 0.59 2.49 0.11 3.44 0.00 -1.26 -5.08 105.19 105.48 2diu n GLY 7 Ca -0.19 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.65 2.01 -0.17 0.00 0.09 -1.26 -4.64 115.29 108.68 2diu s HIS 9 Ca -0.32 0.85 -0.02 0.00 -0.00 0.00 0.00 55.06 55.57 2diu s HIS 9 Cb 0.09 -3.36 0.05 0.00 -0.00 0.00 0.00 32.58 29.36 2diu s HIS 9 CO 0.45 -2.87 0.02 0.99 -0.00 0.00 0.00 174.74 173.33 2diu s THR 10 N -3.11 0.58 0.05 1.30 2.01 0.66 -4.92 115.64 112.21 2diu s THR 10 Ca 0.66 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 2diu s THR 10 Cb -0.16 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 2diu s THR 10 CO 0.56 -0.10 0.37 -0.76 -0.69 0.00 0.00 174.62 174.00 2diu s LEU 11 N 1.84 4.37 0.15 4.42 1.43 -1.26 0.14 118.68 129.78 2diu s LEU 11 Ca 0.00 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 53.93 2diu s LEU 11 Cb -0.16 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2diu s LEU 11 CO -0.07 0.21 -0.06 -0.76 0.23 0.00 0.00 176.35 175.90 2diu s LEU 12 N -1.76 3.12 -0.15 1.79 1.43 -0.92 -4.85 118.68 117.34 2diu s LEU 12 Ca 0.30 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2diu s LEU 12 Cb -0.14 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2diu s LEU 12 CO 0.17 0.12 -0.20 -0.31 0.23 0.00 0.00 176.35 176.36 2diu s TYR 13 N -1.57 2.73 0.06 0.29 2.02 -0.22 -1.61 117.35 119.04 2diu s TYR 13 Ca 0.25 -1.34 0.03 0.00 -0.37 0.00 0.00 57.07 55.63 2diu s TYR 13 Cb -0.10 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 2diu s TYR 13 CO 0.16 -0.63 0.04 0.08 -1.57 0.00 0.00 175.55 173.63 2diu s VAL 14 N 0.95 4.31 0.24 0.71 1.01 -0.22 -0.13 120.40 127.26 2diu s VAL 14 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2diu s VAL 14 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2diu s VAL 14 CO -0.04 0.20 0.18 -0.31 0.00 0.00 0.00 175.10 175.14 2diu s TYR 15 N -1.27 1.28 -1.13 5.22 1.51 0.11 -1.38 117.35 121.69 2diu s TYR 15 Ca 0.25 -1.43 -0.01 0.00 -1.01 0.00 0.00 57.07 54.87 2diu s TYR 15 Cb -0.12 -0.57 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 2diu s TYR 15 CO 0.17 -0.72 0.95 0.09 -1.11 0.00 0.00 175.55 174.93 2diu n ASN 16 N -0.61 -3.03 -4.91 2.29 5.03 -0.97 -1.37 115.26 111.69 2diu n ASN 16 Ca 0.03 -0.62 -0.31 0.00 0.87 0.00 0.00 54.58 54.55 2diu n ASN 16 Cb 0.65 -4.99 -0.04 0.00 -1.02 0.00 0.00 39.78 34.38 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 -6.01 4.32 -0.90 3.41 1.43 0.44 -4.29 118.68 117.08 2diu s LEU 17 Ca 0.10 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.38 2diu s LEU 17 Cb -0.01 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 2diu s LEU 17 CO 0.71 0.13 1.95 -2.16 0.23 0.00 0.00 176.35 177.20 2diu s PRO 18 N -2.51 2.55 0.28 1.29 0.04 -1.26 -4.69 135.00 130.70 2diu s PRO 18 Ca 0.37 -0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.14 2diu s PRO 18 Cb -0.13 -5.05 0.56 0.00 0.04 0.00 0.00 34.50 29.92 2diu s PRO 18 CO 0.26 -3.37 1.82 0.00 0.04 0.00 0.00 177.00 175.74 2diu h ALA 19 N 11.35 1.47 -0.20 8.56 0.00 -1.95 -1.88 119.26 136.61 2diu h ALA 19 Ca 0.09 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2diu h ALA 19 Cb 1.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2diu h ALA 19 CO 1.21 0.14 -0.02 -0.91 0.00 0.00 0.00 179.25 179.67 2diu h ASN 20 N 0.90 -0.12 -1.68 0.00 4.21 -2.00 -3.40 115.58 113.49 2diu h ASN 20 Ca 0.49 0.05 -0.59 0.00 1.21 0.00 0.00 56.30 57.46 2diu h ASN 20 Cb 0.55 0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2diu h ASN 20 CO -0.29 -0.03 1.51 0.29 -1.29 0.00 0.00 177.43 177.61 2diu n LYS 21 N -5.16 1.59 -1.17 0.81 4.76 -0.71 -4.80 118.16 113.47 2diu n LYS 21 Ca -0.02 0.39 -0.46 0.00 -2.87 0.00 0.00 58.31 55.34 2diu n LYS 21 Cb 0.11 -3.06 -0.06 0.00 -1.84 0.00 0.00 35.03 30.18 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 11.91 0.42 -0.31 4.39 9.92 -1.26 -4.42 116.55 137.20 2diu n ASP 22 Ca 0.34 0.85 -0.09 0.00 -0.53 0.00 0.00 54.79 55.36 2diu n ASP 22 Cb 0.40 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 40.17 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2diu h GLY 23 N 2.87 -0.62 -0.87 0.44 0.00 -1.87 0.21 103.07 103.23 2diu h GLY 23 Ca -0.34 0.68 0.27 0.00 0.00 0.00 0.00 47.33 47.94 2diu h GLY 23 CO 0.59 -0.07 0.12 0.28 0.00 0.00 0.00 176.54 177.46 2diu n LYS 24 N -5.35 -0.07 0.08 4.80 4.76 -1.26 -0.13 118.16 120.99 2diu n LYS 24 Ca 0.02 1.28 -0.11 0.00 -2.87 0.00 0.00 58.31 56.63 2diu n LYS 24 Cb 0.32 -2.09 -0.08 0.00 -1.84 0.00 0.00 35.03 31.35 2diu n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2diu h SER 25 N 0.00 -0.23 -0.89 4.39 0.87 -0.94 -3.29 113.55 113.46 2diu h SER 25 Ca 0.58 -0.30 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 2diu h SER 25 Cb 1.29 0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 63.19 2diu h SER 25 CO -0.78 0.28 -0.56 0.58 -0.53 0.00 0.00 176.83 175.82 2diu h VAL 26 N -0.84 0.00 -0.14 2.23 2.07 0.50 -2.03 116.25 118.05 2diu h VAL 26 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2diu h VAL 26 Cb 0.52 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2diu h VAL 26 CO 0.04 0.00 -0.09 0.28 0.02 0.00 0.00 177.57 177.83 2diu h SER 27 N -0.07 -0.32 -0.55 0.57 0.02 -1.34 -1.54 113.55 110.31 2diu h SER 27 Ca 0.17 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 2diu h SER 27 Cb 0.47 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 2diu h SER 27 CO -0.88 -0.04 -0.32 -3.20 -1.14 0.00 0.00 176.83 171.25 2diu n ASN 28 N -3.32 -0.58 -0.35 3.07 5.15 -0.78 0.92 115.26 119.36 2diu n ASN 28 Ca 0.00 1.16 0.07 0.00 -0.60 0.00 0.00 54.58 55.21 2diu n ASN 28 Cb 0.04 -0.22 0.16 0.00 -0.53 0.00 0.00 39.78 39.23 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 0.00 0.12 1.20 9.65 -1.05 0.60 114.38 124.91 2diu h ARG 29 Ca 0.09 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2diu h ARG 29 Cb 0.22 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 2diu h ARG 29 CO -0.52 0.00 -0.06 -0.07 2.80 0.00 0.00 179.97 182.13 2diu h LEU 30 N 0.00 -0.14 -0.76 3.80 4.07 0.96 -3.19 115.31 120.05 2diu h LEU 30 Ca 0.49 -0.32 0.21 0.00 0.08 0.00 0.00 57.88 58.33 2diu h LEU 30 Cb 0.78 0.04 -0.14 0.00 1.08 0.00 0.00 40.66 42.42 2diu h LEU 30 CO -1.00 0.27 0.01 0.54 -1.08 0.00 0.00 178.44 177.18 2diu n ARG 31 N -4.98 -0.06 -0.18 1.13 1.74 0.77 0.23 116.66 115.31 2diu n ARG 31 Ca -0.09 1.14 -0.08 0.00 -0.77 0.00 0.00 57.85 58.06 2diu n ARG 31 Cb 0.24 -1.81 0.02 0.00 -1.02 0.00 0.00 32.46 29.88 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 0.78 0.00 5.56 2.47 -1.41 0.59 114.38 122.37 2diu h ARG 32 Ca 0.46 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 59.01 2diu h ARG 32 Cb 0.93 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2diu h ARG 32 CO -0.72 0.68 -0.11 -0.07 0.56 0.00 0.00 179.97 180.31 2diu h LEU 33 N 0.70 0.00 0.01 3.04 3.38 0.28 -2.68 115.31 120.04 2diu h LEU 33 Ca 0.17 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.83 2diu h LEU 33 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2diu h LEU 33 CO -0.02 0.11 -1.89 -1.20 0.09 0.00 0.00 178.44 175.53 2diu n SER 34 N -3.52 0.77 0.28 -0.43 7.64 0.15 -3.75 113.62 114.76 2diu n SER 34 Ca -0.01 0.30 0.16 0.00 1.01 0.00 0.00 58.87 60.33 2diu n SER 34 Cb 0.26 0.12 0.91 0.00 -1.01 0.00 0.00 64.21 64.49 2diu n SER 34 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2diu h ASP 35 N 0.00 0.00 0.27 6.43 3.58 0.51 0.31 116.42 127.53 2diu h ASP 35 Ca -0.36 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.75 2diu h ASP 35 Cb 2.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.11 2diu h ASP 35 CO 0.07 0.00 -1.77 -1.13 -2.88 0.00 0.00 179.24 173.53 2diu h ASN 36 N 0.00 0.43 -0.35 2.28 -1.24 -1.68 -3.33 115.58 111.69 2diu h ASN 36 Ca 0.02 -0.74 -0.14 0.00 0.71 0.00 0.00 56.30 56.15 2diu h ASN 36 Cb 0.14 -0.14 -0.08 0.00 0.73 0.00 0.00 38.32 38.96 2diu h ASN 36 CO -0.00 1.64 0.17 0.00 -1.29 0.00 0.00 177.43 177.96 2diu n GLY 38 N -0.02 -0.31 3.55 0.00 0.00 -0.82 -4.44 105.19 103.14 2diu n GLY 38 Ca 0.20 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.25 2.59 -0.18 -0.02 0.00 0.10 -4.25 107.32 101.31 2diu s GLY 39 Ca 0.07 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 43.49 2diu s GLY 39 CO 0.90 -1.90 0.31 1.25 0.00 0.00 0.00 173.10 173.65 2diu s LYS 40 N -3.77 0.23 -0.74 2.90 2.20 -0.73 -4.24 119.74 115.58 2diu s LYS 40 Ca 0.23 0.67 -0.26 0.00 -0.36 0.00 0.00 55.97 56.25 2diu s LYS 40 Cb 0.04 -0.25 -0.08 0.00 -1.51 0.00 0.00 37.83 36.03 2diu s LYS 40 CO 0.13 -0.41 2.18 0.54 -0.36 0.00 0.00 175.35 177.43 2diu s VAL 41 N 2.47 3.20 0.10 4.02 0.11 -1.26 0.31 120.40 129.35 2diu s VAL 41 Ca 0.04 -0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.70 2diu s VAL 41 Cb -0.13 -3.47 -0.12 0.00 -1.53 0.00 0.00 36.38 31.13 2diu s VAL 41 CO -0.11 -0.44 1.60 -0.07 -3.33 0.00 0.00 175.10 172.75 2diu h LEU 42 N 19.64 -1.07 -8.23 2.54 3.38 -1.03 -3.47 115.31 127.07 2diu h LEU 42 Ca -0.05 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2diu h LEU 42 Cb 1.08 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 2diu h LEU 42 CO 1.13 -0.49 -0.04 -0.44 0.09 0.00 0.00 178.44 178.69 2diu s SER 43 N -4.64 0.06 -0.23 -0.43 0.01 -1.03 -5.03 113.70 102.40 2diu s SER 43 Ca -0.17 -1.00 -0.03 0.00 1.31 0.00 0.00 55.95 56.06 2diu s SER 43 Cb 0.07 0.65 0.10 0.00 0.21 0.00 0.00 66.02 67.04 2diu s SER 43 CO 0.63 -1.26 0.19 -0.63 0.41 0.00 0.00 173.24 172.59 2diu s ILE 44 N -3.66 -0.24 0.04 1.44 1.01 -1.26 -1.19 121.20 117.34 2diu s ILE 44 Ca 0.21 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2diu s ILE 44 Cb -0.02 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2diu s ILE 44 CO 0.11 -0.39 -0.01 0.42 0.00 0.00 0.00 174.94 175.07 2diu s THR 45 N 2.25 4.03 0.00 2.92 -4.23 -0.72 -4.96 115.64 114.93 2diu s THR 45 Ca 0.07 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2diu s THR 45 Cb -0.15 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2diu s THR 45 CO -0.21 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2diu n GLY 46 N 1.04 1.48 0.67 3.99 0.00 -1.26 -0.05 105.19 111.06 2diu n GLY 46 Ca -0.13 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.83 3.71 0.25 0.00 1.04 0.93 -0.42 113.70 118.38 2diu s SER 48 Ca 0.20 -1.48 -0.15 0.00 0.48 0.00 0.00 55.95 55.01 2diu s SER 48 Cb 0.12 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2diu s SER 48 CO 0.12 -0.62 0.53 0.00 0.98 0.00 0.00 173.24 174.25 2diu s ALA 49 N -2.86 -0.51 -0.03 5.32 0.00 -0.48 -1.75 121.76 121.44 2diu s ALA 49 Ca 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2diu s ALA 49 Cb 0.07 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.21 2diu s ALA 49 CO 0.13 -0.89 0.00 0.42 0.00 0.00 0.00 175.76 175.43 2diu s ILE 50 N -3.98 0.17 0.38 0.00 1.01 -0.33 -1.05 121.20 117.39 2diu s ILE 50 Ca 0.19 0.10 0.08 0.00 0.00 0.00 0.00 60.65 61.02 2diu s ILE 50 Cb -0.02 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 2diu s ILE 50 CO 0.07 0.15 0.18 -0.76 0.00 0.00 0.00 174.94 174.58 2diu s LEU 51 N 1.11 3.20 -0.18 2.97 1.02 -0.64 -0.43 118.68 125.74 2diu s LEU 51 Ca -0.09 -0.91 -0.01 0.00 0.02 0.00 0.00 54.13 53.15 2diu s LEU 51 Cb -0.13 -1.63 0.05 0.00 0.02 0.00 0.00 46.19 44.49 2diu s LEU 51 CO -0.02 -0.43 -0.04 -0.60 0.02 0.00 0.00 176.35 175.27 2diu s ARG 52 N -3.89 1.36 0.14 1.70 6.06 0.15 -2.15 118.95 122.31 2diu s ARG 52 Ca 0.40 -0.56 0.08 0.00 -2.50 0.00 0.00 55.73 53.14 2diu s ARG 52 Cb 0.00 -2.08 -0.04 0.00 0.06 0.00 0.00 34.95 32.89 2diu s ARG 52 CO 0.23 -0.48 -0.08 -0.06 -2.50 0.00 0.00 175.30 172.41 2diu s PHE 53 N 1.63 2.73 0.08 5.12 0.40 0.12 -1.77 117.98 126.29 2diu s PHE 53 Ca -0.00 -0.17 -0.20 0.00 -0.60 0.00 0.00 56.93 55.95 2diu s PHE 53 Cb -0.16 -1.38 -0.10 0.00 0.51 0.00 0.00 43.02 41.89 2diu s PHE 53 CO -0.07 0.47 1.57 0.97 0.70 0.00 0.00 175.22 178.86 2diu h ILE 54 N 2.95 1.20 -4.48 0.64 2.10 -1.82 0.19 117.51 118.29 2diu h ILE 54 Ca -0.48 -0.65 -0.33 0.00 1.08 0.00 0.00 64.86 64.48 2diu h ILE 54 Cb 1.18 1.28 -0.14 0.00 -1.09 0.00 0.00 36.82 38.05 2diu h ILE 54 CO 0.54 0.20 -0.58 0.54 -1.08 0.00 0.00 178.15 177.77 2diu s ASN 55 N -5.69 0.84 0.05 2.19 2.20 -1.26 -4.09 114.94 109.17 2diu s ASN 55 Ca -0.14 -1.51 -0.25 0.00 -0.94 0.00 0.00 52.86 50.02 2diu s ASN 55 Cb 0.07 0.41 -0.13 0.00 -2.00 0.00 0.00 41.25 39.59 2diu s ASN 55 CO 0.71 -0.89 1.39 -0.61 -2.94 0.00 0.00 177.10 174.76 2diu h GLN 56 N 2.42 -0.78 -0.51 3.55 4.15 -1.90 -2.57 115.11 119.48 2diu h GLN 56 Ca -0.33 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.19 2diu h GLN 56 Cb 1.25 0.18 -0.06 0.00 0.21 0.00 0.00 27.48 29.05 2diu h GLN 56 CO 0.50 -0.52 -0.30 -3.47 -1.93 0.00 0.00 178.83 173.11 2diu n ASP 57 N -4.53 -0.54 -0.19 -0.69 -0.08 -1.26 0.67 116.55 109.94 2diu n ASP 57 Ca -0.10 1.10 -0.03 0.00 -1.51 0.00 0.00 54.79 54.26 2diu n ASP 57 Cb 0.34 -0.22 0.04 0.00 2.34 0.00 0.00 41.12 43.63 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 -0.71 -0.51 1.67 0.02 -1.86 -0.07 113.55 112.09 2diu h SER 58 Ca 0.08 0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2diu h SER 58 Cb 0.21 0.42 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 2diu h SER 58 CO -0.48 -0.23 0.26 0.00 -1.14 0.00 0.00 176.83 175.24 2diu h ALA 59 N 1.40 0.65 0.16 3.77 0.00 0.67 -3.08 119.26 122.83 2diu h ALA 59 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2diu h ALA 59 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2diu h ALA 59 CO -0.62 -0.09 -0.30 0.93 0.00 0.00 0.00 179.25 179.18 2diu h GLU 60 N 0.50 -0.48 -1.15 0.00 4.39 0.13 0.17 114.58 118.15 2diu h GLU 60 Ca 0.22 0.03 0.39 0.00 0.34 0.00 0.00 59.36 60.34 2diu h GLU 60 Cb 0.13 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.79 2diu h GLU 60 CO -0.16 -0.32 0.76 0.54 -1.16 0.00 0.00 179.01 178.68 2diu n ARG 61 N -4.16 -0.02 0.06 2.33 1.74 -0.72 0.21 116.66 116.10 2diu n ARG 61 Ca -0.06 0.96 -0.22 0.00 -0.77 0.00 0.00 57.85 57.76 2diu n ARG 61 Cb 0.25 -1.94 -0.15 0.00 -1.02 0.00 0.00 32.46 29.60 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 1.17 0.09 0.00 7.54 0.00 -1.22 -2.77 119.26 124.07 2diu h ALA 62 Ca 0.70 -1.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2diu h ALA 62 Cb 2.34 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 20.51 2diu h ALA 62 CO -0.31 0.82 -0.12 0.37 0.00 0.00 0.00 179.25 180.01 2diu h GLN 63 N -0.10 0.00 0.00 0.00 -0.00 0.55 0.57 115.11 116.13 2diu h GLN 63 Ca -0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.31 2diu h GLN 63 Cb 1.93 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.40 2diu h GLN 63 CO 0.14 0.12 -1.15 0.36 0.00 0.00 0.00 178.83 178.30 2diu n LYS 64 N -3.76 0.61 -0.07 1.69 -0.00 0.13 -3.62 118.16 113.14 2diu n LYS 64 Ca -0.02 0.13 -0.05 0.00 -0.00 0.00 0.00 58.31 58.37 2diu n LYS 64 Cb 0.23 -1.81 -0.02 0.00 -0.00 0.00 0.00 35.03 33.44 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 -2.71 0.41 -0.31 -1.58 3.00 -0.75 -4.38 116.66 110.35 2diu n ARG 65 Ca -0.03 0.37 0.12 0.00 -0.00 0.00 0.00 57.85 58.32 2diu n ARG 65 Cb 0.62 -1.46 0.30 0.00 0.00 0.00 0.00 32.46 31.92 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 -0.86 0.45 -1.15 -0.14 2.86 -0.12 0.24 114.93 116.20 2diu h MET 66 Ca 0.00 -0.03 0.33 0.00 -2.06 0.00 0.00 59.70 57.95 2diu h MET 66 Cb 0.60 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.05 2diu h MET 66 CO 0.00 0.29 0.75 1.05 1.06 0.00 0.00 176.91 180.06 2diu h GLU 67 N 0.46 0.25 0.00 1.72 4.11 -1.69 0.67 114.58 120.10 2diu h GLU 67 Ca 0.55 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.96 2diu h GLU 67 Cb 1.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2diu h GLU 67 CO -0.49 0.16 -1.44 0.09 0.07 0.00 0.00 179.01 177.40 2diu n ASN 68 N -4.63 0.44 -4.22 3.06 5.03 0.69 -4.43 115.26 111.21 2diu n ASN 68 Ca 0.30 0.05 -0.29 0.00 0.87 0.00 0.00 54.58 55.51 2diu n ASN 68 Cb 1.11 1.20 0.26 0.00 -1.02 0.00 0.00 39.78 41.33 2diu n ASN 68 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2diu s GLU 69 N -3.39 -1.47 -0.35 3.52 0.41 0.23 -4.89 118.70 112.76 2diu s GLU 69 Ca -0.03 0.59 -0.00 0.00 -0.41 0.00 0.00 54.97 55.11 2diu s GLU 69 Cb 0.13 -1.51 0.12 0.00 -1.78 0.00 0.00 34.13 31.08 2diu s GLU 69 CO 0.85 -4.02 0.17 0.34 -0.49 0.00 0.00 175.26 172.10 2diu s ASP 70 N -2.76 3.57 0.17 -0.19 -1.08 -1.26 -3.44 116.67 111.67 2diu s ASP 70 Ca 0.68 -1.96 -0.27 0.00 -0.52 0.00 0.00 52.55 50.48 2diu s ASP 70 Cb -0.21 -0.69 0.01 0.00 -1.46 0.00 0.00 42.92 40.57 2diu s ASP 70 CO 0.63 -0.36 1.56 1.62 0.52 0.00 0.00 175.17 179.14 2diu h VAL 71 N 5.78 0.05 -1.29 1.11 3.04 -1.90 -3.40 116.25 119.63 2diu h VAL 71 Ca -0.06 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 2diu h VAL 71 Cb 0.98 0.05 -0.24 0.00 -2.01 0.00 0.00 31.29 30.07 2diu h VAL 71 CO 0.41 0.00 -0.38 -0.36 -1.01 0.00 0.00 177.57 176.24 2diu s PHE 72 N -5.75 -1.42 -0.15 3.17 0.08 -1.26 -4.92 117.98 107.73 2diu s PHE 72 Ca -0.14 1.20 0.00 0.00 0.12 0.00 0.00 56.93 58.11 2diu s PHE 72 Cb 0.13 0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.87 2diu s PHE 72 CO 0.65 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 2diu n GLY 73 N 5.40 -0.18 3.30 4.36 0.00 -1.26 -4.82 105.19 111.99 2diu n GLY 73 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.58 -0.22 -0.12 1.61 2.47 -1.26 -5.15 114.94 110.68 2diu s ASN 74 Ca 0.00 -0.17 -0.14 0.00 0.42 0.00 0.00 52.86 52.97 2diu s ASN 74 Cb 0.00 0.43 -0.05 0.00 -1.45 0.00 0.00 41.25 40.18 2diu s ASN 74 CO 0.00 -0.72 0.32 -0.60 -3.72 0.00 0.00 177.10 172.38 2diu s ARG 75 N -3.01 4.13 0.18 0.43 3.00 -1.26 -3.03 118.95 119.39 2diu s ARG 75 Ca -0.02 0.18 0.06 0.00 -1.00 0.00 0.00 55.73 54.95 2diu s ARG 75 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 34.95 31.55 2diu s ARG 75 CO -0.06 0.36 0.15 0.96 0.00 0.00 0.00 175.30 176.71 2diu s ILE 76 N 0.06 4.46 0.07 4.11 -4.36 -1.22 -4.81 121.20 119.50 2diu s ILE 76 Ca 0.19 -1.16 0.08 0.00 -0.26 0.00 0.00 60.65 59.50 2diu s ILE 76 Cb -0.14 -3.31 -0.03 0.00 1.25 0.00 0.00 42.46 40.23 2diu s ILE 76 CO 0.06 -0.16 -0.21 -0.63 0.24 0.00 0.00 174.94 174.23 2diu s ILE 77 N -1.84 2.55 -0.06 8.37 1.01 -0.47 -4.29 121.20 126.48 2diu s ILE 77 Ca 0.31 -1.37 0.02 0.00 0.00 0.00 0.00 60.65 59.62 2diu s ILE 77 Cb -0.10 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.31 2diu s ILE 77 CO 0.24 0.27 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 2diu s VAL 78 N -0.95 1.00 0.02 2.92 1.01 -1.26 0.05 120.40 123.19 2diu s VAL 78 Ca 0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2diu s VAL 78 Cb -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2diu s VAL 78 CO 0.05 0.32 -0.02 -0.55 0.00 0.00 0.00 175.10 174.90 2diu s SER 79 N 0.64 0.19 0.35 3.32 0.15 0.81 -4.93 113.70 114.23 2diu s SER 79 Ca -0.13 -0.40 0.19 0.00 0.70 0.00 0.00 55.95 56.31 2diu s SER 79 Cb -0.15 0.08 0.28 0.00 -1.71 0.00 0.00 66.02 64.52 2diu s SER 79 CO 0.03 -0.24 1.55 -0.26 1.20 0.00 0.00 173.24 175.51 2diu h PHE 80 N 4.93 0.00 -2.36 3.44 -1.00 -1.88 -0.55 116.94 119.51 2diu h PHE 80 Ca -0.30 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 59.91 2diu h PHE 80 Cb 1.21 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.67 2diu h PHE 80 CO 0.61 0.31 -0.65 0.95 -1.61 0.00 0.00 178.31 177.92 2diu s THR 81 N -3.13 3.46 0.48 -1.55 -4.23 -1.26 -4.78 115.64 104.63 2diu s THR 81 Ca 0.04 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 58.50 2diu s THR 81 Cb 0.07 -2.82 -0.07 0.00 1.34 0.00 0.00 72.50 71.02 2diu s THR 81 CO 0.71 -0.32 1.16 -2.16 -0.54 0.00 0.00 174.62 173.46 2diu s PRO 82 N -3.51 3.66 -0.40 3.99 0.04 -1.26 -4.89 135.00 132.63 2diu s PRO 82 Ca 0.30 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2diu s PRO 82 Cb -0.07 -2.30 0.51 0.00 0.04 0.00 0.00 34.50 32.67 2diu s PRO 82 CO 0.19 -0.62 1.60 1.63 0.04 0.00 0.00 177.00 179.84 2diu n LYS 83 N -0.69 2.44 -0.06 4.56 5.02 -1.26 -4.65 118.16 123.52 2diu n LYS 83 Ca 0.08 -3.39 -0.13 0.00 -2.02 0.00 0.00 58.31 52.85 2diu n LYS 83 Cb 0.49 -2.07 -0.12 0.00 -0.02 0.00 0.00 35.03 33.31 2diu n LYS 83 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2diu h ASN 84 N 1.46 -0.00 -3.14 4.39 4.21 -2.07 -3.45 115.58 116.98 2diu h ASN 84 Ca 0.40 -0.87 -0.45 0.00 1.21 0.00 0.00 56.30 56.59 2diu h ASN 84 Cb 1.63 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 38.43 2diu h ASN 84 CO 0.83 0.91 -0.75 -0.13 -1.29 0.00 0.00 177.43 177.00 2diu s ARG 85 N -2.33 0.13 -0.21 0.81 3.00 -1.26 -5.13 118.95 113.96 2diu s ARG 85 Ca -0.17 -0.02 -0.22 0.00 0.00 0.00 0.00 55.73 55.32 2diu s ARG 85 Cb -0.02 -1.55 0.06 0.00 0.00 0.00 0.00 34.95 33.44 2diu s ARG 85 CO 0.63 -0.58 0.61 -2.00 0.00 0.00 0.00 175.30 173.96 2diu s GLU 86 N 2.10 0.74 -0.16 3.54 2.12 -1.26 -5.09 118.70 120.68 2diu s GLU 86 Ca 0.02 0.78 -0.12 0.00 0.36 0.00 0.00 54.97 56.01 2diu s GLU 86 Cb -0.15 0.36 0.05 0.00 0.26 0.00 0.00 34.13 34.64 2diu s GLU 86 CO -0.07 -0.11 0.42 -0.48 -0.54 0.00 0.00 175.26 174.48 2diu s LEU 87 N 0.17 0.18 0.09 2.70 2.34 -1.26 -5.16 118.68 117.74 2diu s LEU 87 Ca -0.01 0.87 -0.11 0.00 0.06 0.00 0.00 54.13 54.94 2diu s LEU 87 Cb -0.04 1.41 -0.06 0.00 -0.56 0.00 0.00 46.19 46.94 2diu s LEU 87 CO 0.02 -0.17 0.43 0.00 -1.06 0.00 0.00 176.35 175.57 2diu s GLU 89 N -1.90 3.27 -0.44 0.00 0.41 -1.26 -5.02 118.70 113.77 2diu s GLU 89 Ca 0.34 -0.40 0.04 0.00 -0.41 0.00 0.00 54.97 54.54 2diu s GLU 89 Cb -0.14 -2.99 0.46 0.00 -1.78 0.00 0.00 34.13 29.68 2diu s GLU 89 CO 0.18 0.66 1.55 -2.37 -0.49 0.00 0.00 175.26 174.80 2diu n THR 90 N 1.03 2.97 -0.30 3.63 5.66 -1.26 -4.83 114.28 121.18 2diu n THR 90 Ca -0.12 -3.55 0.04 0.00 -3.05 0.00 0.00 64.05 57.37 2diu n THR 90 Cb 0.53 -1.05 0.10 0.00 -1.55 0.00 0.00 70.33 68.35 2diu n THR 90 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2diu n SER 91 N -0.84 -0.35 0.00 1.09 2.88 -1.26 -4.81 113.62 110.33 2diu n SER 91 Ca 0.50 1.43 0.00 0.00 -1.33 0.00 0.00 58.87 59.47 2diu n SER 91 Cb 0.87 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.49 0.73 3.77 0.46 0.00 -1.26 -5.12 105.19 102.28 2diu n GLY 92 Ca 0.12 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.14 4.08 -0.13 1.61 0.04 -1.26 -5.04 135.00 134.16 2diu s PRO 93 Ca 0.00 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2diu s PRO 93 Cb 0.00 -2.73 0.11 0.00 0.04 0.00 0.00 34.50 31.93 2diu s PRO 93 CO 0.00 -0.32 0.91 0.45 0.04 0.00 0.00 177.00 178.08 2diu s SER 94 N -1.03 -0.45 0.08 6.66 0.15 -1.26 -5.09 113.70 112.76 2diu s SER 94 Ca 0.56 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2diu s SER 94 Cb -0.32 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2diu s SER 94 CO 0.41 -0.41 0.00 -1.20 1.20 0.00 0.00 173.24 173.24 2diu n SER 95 N 0.77 0.73 0.00 5.45 7.64 -1.26 -5.33 113.62 121.62 2diu n SER 95 Ca -0.12 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2diu n SER 95 Cb 0.58 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2diu n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64