#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcg s TYR 18 N 0.00 3.09 0.10 1.12 1.51 -1.26 0.19 117.35 122.10 3dcg s TYR 18 Ca 0.00 0.02 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 3dcg s TYR 18 Cb 0.00 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 3dcg s TYR 18 CO 0.00 0.50 -0.19 0.14 -1.11 0.00 0.00 175.55 174.89 3dcg s VAL 19 N -1.41 1.58 -0.23 0.71 -7.23 0.30 -3.78 120.40 110.34 3dcg s VAL 19 Ca 0.28 -1.53 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 3dcg s VAL 19 Cb -0.12 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 3dcg s VAL 19 CO 0.21 -0.13 0.01 -0.75 -0.31 0.00 0.00 175.10 174.13 3dcg s LYS 20 N -1.96 3.52 -0.12 4.82 2.20 0.29 -1.01 119.74 127.47 3dcg s LYS 20 Ca 0.05 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.09 3dcg s LYS 20 Cb -0.10 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 3dcg s LYS 20 CO 0.04 -0.17 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.31 3dcg s LEU 21 N 1.50 3.29 -0.17 5.43 1.43 0.70 0.25 118.68 131.11 3dcg s LEU 21 Ca 0.06 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3dcg s LEU 21 Cb -0.15 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3dcg s LEU 21 CO 0.00 0.25 -0.10 -0.63 0.23 0.00 0.00 176.35 176.10 3dcg s ILE 22 N -0.12 3.08 0.88 -0.59 1.01 0.50 0.28 121.20 126.24 3dcg s ILE 22 Ca 0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 3dcg s ILE 22 Cb -0.13 -2.34 0.12 0.00 0.01 0.00 0.00 42.46 40.12 3dcg s ILE 22 CO 0.02 0.49 1.15 -0.94 0.00 0.00 0.00 174.94 175.66 3dcg s SER 23 N 0.88 3.79 0.45 3.58 1.04 -0.37 -0.01 113.70 123.06 3dcg s SER 23 Ca -0.03 0.90 0.17 0.00 0.48 0.00 0.00 55.95 57.48 3dcg s SER 23 Cb -0.15 -1.45 1.06 0.00 0.10 0.00 0.00 66.02 65.58 3dcg s SER 23 CO 0.00 -2.37 1.98 0.77 0.98 0.00 0.00 173.24 174.61 3dcg h SER 24 N -1.37 0.00 -0.55 7.02 4.64 0.58 -2.26 113.55 121.61 3dcg h SER 24 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3dcg h SER 24 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3dcg h SER 24 CO 0.63 0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 175.89 3dcg n ASP 25 N -4.12 3.81 0.00 4.97 5.75 -1.26 -4.94 116.55 120.75 3dcg n ASP 25 Ca -0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 3dcg n ASP 25 Cb 0.27 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 3dcg n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dcg n GLY 26 N 1.11 0.70 3.73 6.12 0.00 -0.85 -5.02 105.19 110.98 3dcg n GLY 26 Ca 0.21 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3dcg n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dcg s HIS 27 N -2.00 3.63 -0.23 1.61 3.76 -1.26 -4.82 115.29 115.98 3dcg s HIS 27 Ca 0.00 1.62 -0.14 0.00 -0.15 0.00 0.00 55.06 56.39 3dcg s HIS 27 Cb 0.00 -3.23 -0.04 0.00 1.11 0.00 0.00 32.58 30.42 3dcg s HIS 27 CO 0.00 -0.46 0.33 -1.21 -0.85 0.00 0.00 174.74 172.55 3dcg s GLU 28 N -0.11 4.09 -0.25 1.40 2.02 -1.26 -1.23 118.70 123.36 3dcg s GLU 28 Ca 0.50 0.04 -0.03 0.00 0.02 0.00 0.00 54.97 55.50 3dcg s GLU 28 Cb -0.28 -3.58 0.02 0.00 0.10 0.00 0.00 34.13 30.39 3dcg s GLU 28 CO 0.33 -0.10 -0.04 -0.06 0.02 0.00 0.00 175.26 175.41 3dcg s PHE 29 N 1.52 3.07 -0.40 1.61 0.40 0.14 -4.96 117.98 119.36 3dcg s PHE 29 Ca 0.15 -1.40 -0.10 0.00 -0.60 0.00 0.00 56.93 54.97 3dcg s PHE 29 Cb -0.15 -2.09 0.06 0.00 0.51 0.00 0.00 43.02 41.34 3dcg s PHE 29 CO 0.08 -0.69 0.25 0.42 0.70 0.00 0.00 175.22 175.98 3dcg s ILE 30 N 1.37 4.46 0.16 0.64 1.01 -1.26 -0.22 121.20 127.35 3dcg s ILE 30 Ca 0.01 -1.14 0.11 0.00 0.00 0.00 0.00 60.65 59.64 3dcg s ILE 30 Cb -0.16 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3dcg s ILE 30 CO -0.03 -0.39 -0.25 0.68 0.00 0.00 0.00 174.94 174.94 3dcg s VAL 31 N 1.50 2.29 0.28 2.92 -7.23 -0.18 -4.92 120.40 115.05 3dcg s VAL 31 Ca 0.02 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 3dcg s VAL 31 Cb -0.21 -2.05 -0.13 0.00 0.56 0.00 0.00 36.38 34.55 3dcg s VAL 31 CO 0.04 -0.01 1.44 0.29 -0.31 0.00 0.00 175.10 176.55 3dcg n LYS 32 N 0.62 2.24 -0.14 4.82 5.02 -1.26 0.11 118.16 129.57 3dcg n LYS 32 Ca -0.16 0.79 -0.03 0.00 -2.02 0.00 0.00 58.31 56.89 3dcg n LYS 32 Cb 0.54 -2.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.12 3dcg n LYS 32 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3dcg h ARG 33 N 4.01 0.10 -0.85 1.97 2.43 0.17 -2.23 114.38 119.99 3dcg h ARG 33 Ca -0.46 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.78 3dcg h ARG 33 Cb 1.26 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 3dcg h ARG 33 CO 0.74 0.07 0.55 0.93 -1.51 0.00 0.00 179.97 180.75 3dcg h GLU 34 N 0.11 0.88 -0.22 0.20 5.08 -1.91 -1.14 114.58 117.58 3dcg h GLU 34 Ca 0.22 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3dcg h GLU 34 Cb 0.32 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dcg h GLU 34 CO -0.37 0.58 -0.28 0.45 -1.00 0.00 0.00 179.01 178.39 3dcg h HIS 35 N 0.91 0.70 0.00 4.33 3.86 -1.81 -3.03 115.15 120.11 3dcg h HIS 35 Ca 0.37 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3dcg h HIS 35 Cb 0.27 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 3dcg h HIS 35 CO -0.00 0.94 -0.04 0.00 0.86 0.00 0.00 177.93 179.69 3dcg h ALA 36 N 0.64 1.76 0.00 2.45 0.00 -0.82 -2.10 119.26 121.19 3dcg h ALA 36 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dcg h ALA 36 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3dcg h ALA 36 CO 0.07 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.65 3dcg n LEU 37 N -4.24 0.13 -0.06 0.00 4.77 -0.49 -1.24 117.00 115.86 3dcg n LEU 37 Ca -0.03 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 3dcg n LEU 37 Cb 0.13 -0.56 0.52 0.00 -2.33 0.00 0.00 43.42 41.18 3dcg n LEU 37 CO 0.32 -0.51 1.18 0.74 -1.33 0.00 0.00 177.39 177.79 3dcg h THR 38 N 0.00 0.89 -3.30 -5.08 2.02 -1.51 -3.40 112.91 102.53 3dcg h THR 38 Ca 0.00 -0.13 -0.57 0.00 0.77 0.00 0.00 66.41 66.49 3dcg h THR 38 Cb 0.09 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 3dcg h THR 38 CO 0.00 0.07 0.41 -0.55 0.37 0.00 0.00 175.52 175.82 3dcg s SER 39 N -6.29 7.08 0.24 4.18 0.15 -0.38 -4.63 113.70 114.05 3dcg s SER 39 Ca -0.07 1.32 -0.01 0.00 0.70 0.00 0.00 55.95 57.89 3dcg s SER 39 Cb 0.19 -2.49 0.27 0.00 -1.71 0.00 0.00 66.02 62.29 3dcg s SER 39 CO 0.74 -0.37 1.64 1.23 1.20 0.00 0.00 173.24 177.68 3dcg h GLY 40 N 7.96 0.62 0.82 9.45 0.00 -0.90 -1.34 103.07 119.69 3dcg h GLY 40 Ca -0.32 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 3dcg h GLY 40 CO 0.83 0.51 -0.12 -0.84 0.00 0.00 0.00 176.54 176.93 3dcg h THR 41 N 0.49 0.81 -0.72 4.70 2.02 -1.68 -0.57 112.91 117.97 3dcg h THR 41 Ca 0.06 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3dcg h THR 41 Cb 0.79 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 3dcg h THR 41 CO 0.06 0.08 0.47 0.40 0.37 0.00 0.00 175.52 176.90 3dcg h ILE 42 N -0.51 1.17 -0.80 3.11 2.04 -1.77 0.24 117.51 120.99 3dcg h ILE 42 Ca -0.03 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3dcg h ILE 42 Cb 0.38 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 3dcg h ILE 42 CO 0.05 0.17 0.52 0.50 0.00 0.00 0.00 178.15 179.40 3dcg h LYS 43 N 0.95 0.84 -0.20 2.37 3.64 -1.14 0.65 116.57 123.67 3dcg h LYS 43 Ca 0.27 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.39 3dcg h LYS 43 Cb -0.09 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3dcg h LYS 43 CO -0.07 0.55 -0.68 0.00 -2.27 0.00 0.00 179.45 176.99 3dcg h ALA 44 N 1.57 0.40 -0.34 5.00 0.00 -0.40 -2.85 119.26 122.64 3dcg h ALA 44 Ca 0.35 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3dcg h ALA 44 Cb 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3dcg h ALA 44 CO -0.12 0.69 -0.00 0.52 0.00 0.00 0.00 179.25 180.33 3dcg h MET 45 N 0.57 0.09 -0.01 0.00 2.86 0.55 -2.75 114.93 116.25 3dcg h MET 45 Ca -0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3dcg h MET 45 Cb 1.30 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.94 3dcg h MET 45 CO 0.14 0.06 0.00 1.28 1.06 0.00 0.00 176.91 179.45 3dcg n LEU 46 N -5.18 0.63 -2.31 1.22 4.77 0.12 -5.08 117.00 111.16 3dcg n LEU 46 Ca 0.01 -0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.45 3dcg n LEU 46 Cb 0.18 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 3dcg n LEU 46 CO 0.21 0.11 1.13 -1.20 -1.33 0.00 0.00 177.39 176.31 3dcg n SER 47 N -0.50 6.97 0.00 -1.43 7.64 -1.04 -5.07 113.62 120.19 3dcg n SER 47 Ca 0.21 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.31 3dcg n SER 47 Cb 0.21 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 3dcg n SER 47 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3dcg n ASN 58 N -0.83 0.00 -4.87 6.43 5.15 -1.25 -5.10 115.26 114.80 3dcg n ASN 58 Ca 0.57 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 54.22 3dcg n ASN 58 Cb 0.70 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.89 3dcg n ASN 58 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3dcg s GLU 59 N 0.00 3.32 -0.02 1.20 2.12 -1.26 -0.55 118.70 123.51 3dcg s GLU 59 Ca 0.00 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.94 3dcg s GLU 59 Cb 0.00 -3.02 0.02 0.00 0.26 0.00 0.00 34.13 31.39 3dcg s GLU 59 CO 0.00 0.66 0.04 0.08 -0.54 0.00 0.00 175.26 175.50 3dcg s VAL 60 N -1.30 -0.04 -0.20 3.70 1.01 0.14 -4.93 120.40 118.78 3dcg s VAL 60 Ca 0.26 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 3dcg s VAL 60 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3dcg s VAL 60 CO 0.18 0.07 -0.04 0.21 0.00 0.00 0.00 175.10 175.51 3dcg s ASN 61 N 0.82 4.45 -0.69 3.32 3.84 -1.26 -0.37 114.94 125.04 3dcg s ASN 61 Ca -0.07 -0.31 0.02 0.00 0.21 0.00 0.00 52.86 52.72 3dcg s ASN 61 Cb -0.10 -1.75 0.17 0.00 -0.55 0.00 0.00 41.25 39.02 3dcg s ASN 61 CO -0.03 0.04 0.50 -0.36 -2.79 0.00 0.00 177.10 174.46 3dcg s PHE 62 N 1.11 3.53 -0.25 0.43 0.08 0.98 -4.91 117.98 118.95 3dcg s PHE 62 Ca 0.02 -3.15 0.20 0.00 0.12 0.00 0.00 56.93 54.12 3dcg s PHE 62 Cb -0.15 -2.93 1.09 0.00 -0.57 0.00 0.00 43.02 40.47 3dcg s PHE 62 CO -0.00 -0.67 1.61 0.54 -0.10 0.00 0.00 175.22 176.59 3dcg n ARG 63 N 2.52 0.13 -0.08 0.44 1.74 -1.26 -1.29 116.66 118.87 3dcg n ARG 63 Ca 0.15 0.63 -0.10 0.00 -0.77 0.00 0.00 57.85 57.75 3dcg n ARG 63 Cb 0.35 -1.93 -0.15 0.00 -1.02 0.00 0.00 32.46 29.71 3dcg n ARG 63 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dcg n GLU 64 N -2.20 0.67 -3.65 5.56 4.71 -1.26 -4.57 120.64 119.91 3dcg n GLU 64 Ca -0.01 0.10 -0.38 0.00 -0.01 0.00 0.00 57.16 56.85 3dcg n GLU 64 Cb 0.04 -1.61 -0.12 0.00 -1.01 0.00 0.00 31.44 28.74 3dcg n GLU 64 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3dcg s ILE 65 N -2.53 4.79 0.67 -3.67 1.01 -1.07 -4.87 121.20 115.54 3dcg s ILE 65 Ca -0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3dcg s ILE 65 Cb 0.07 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 3dcg s ILE 65 CO 0.81 0.16 1.05 -2.16 0.00 0.00 0.00 174.94 174.81 3dcg s PRO 66 N 1.66 3.13 0.23 2.79 0.04 -1.26 -0.49 135.00 141.10 3dcg s PRO 66 Ca 0.06 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 3dcg s PRO 66 Cb -0.16 -2.02 0.27 0.00 0.04 0.00 0.00 34.50 32.63 3dcg s PRO 66 CO 0.07 -0.94 1.56 0.77 0.04 0.00 0.00 177.00 178.51 3dcg h SER 67 N -0.60 -1.23 0.57 6.66 0.02 -1.95 0.61 113.55 117.63 3dcg h SER 67 Ca -0.44 0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3dcg h SER 67 Cb 1.21 0.68 -0.01 0.00 0.14 0.00 0.00 62.40 64.42 3dcg h SER 67 CO 0.59 -0.30 -0.18 1.12 -1.14 0.00 0.00 176.83 176.92 3dcg h HIS 68 N -0.03 0.00 0.00 3.45 2.07 -2.00 -0.06 115.15 118.59 3dcg h HIS 68 Ca 0.35 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.78 3dcg h HIS 68 Cb 0.61 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.58 3dcg h HIS 68 CO -0.79 0.18 -0.58 0.28 -3.07 0.00 0.00 177.93 173.95 3dcg h VAL 69 N 0.00 1.07 -0.57 6.12 2.07 -1.74 -3.33 116.25 119.88 3dcg h VAL 69 Ca -0.00 -2.01 0.02 0.00 0.82 0.00 0.00 66.70 65.53 3dcg h VAL 69 Cb 0.51 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3dcg h VAL 69 CO 0.02 0.36 0.38 0.25 0.02 0.00 0.00 177.57 178.60 3dcg h LEU 70 N -1.00 0.60 -0.48 2.57 6.46 -0.67 -0.71 115.31 122.08 3dcg h LEU 70 Ca -0.15 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 3dcg h LEU 70 Cb 0.98 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 3dcg h LEU 70 CO -0.09 0.42 0.30 0.77 -0.62 0.00 0.00 178.44 179.22 3dcg h SER 71 N 0.70 0.57 -0.57 1.25 4.64 -1.20 -2.52 113.55 116.42 3dcg h SER 71 Ca 0.22 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3dcg h SER 71 Cb 0.03 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3dcg h SER 71 CO -0.06 0.44 0.29 0.11 -0.87 0.00 0.00 176.83 176.75 3dcg h LYS 72 N 0.64 0.84 -0.12 4.77 1.79 -1.27 -2.32 116.57 120.90 3dcg h LYS 72 Ca 0.17 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3dcg h LYS 72 Cb -0.03 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 3dcg h LYS 72 CO -0.03 0.65 0.08 0.28 -1.08 0.00 0.00 179.45 179.34 3dcg h VAL 73 N 0.84 1.04 -0.49 0.50 2.07 -1.18 -1.18 116.25 117.86 3dcg h VAL 73 Ca 0.21 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3dcg h VAL 73 Cb 0.08 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3dcg h VAL 73 CO -0.03 0.04 0.24 0.00 0.02 0.00 0.00 177.57 177.84 3dcg h MET 75 N 0.68 0.66 -0.47 0.00 2.07 -1.17 -2.83 114.93 113.86 3dcg h MET 75 Ca 0.17 -0.21 -0.00 0.00 -2.07 0.00 0.00 59.70 57.59 3dcg h MET 75 Cb 0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.71 3dcg h MET 75 CO -0.02 0.76 0.29 -0.92 1.07 0.00 0.00 176.91 178.08 3dcg h TYR 76 N 0.60 0.61 -0.34 -0.22 3.20 0.13 -1.14 116.97 119.81 3dcg h TYR 76 Ca 0.11 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.05 3dcg h TYR 76 Cb 0.55 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 3dcg h TYR 76 CO 0.02 0.42 -0.23 0.74 -1.64 0.00 0.00 178.16 177.47 3dcg h PHE 77 N 0.62 -0.59 -0.47 -3.82 0.04 -1.06 0.39 116.94 112.05 3dcg h PHE 77 Ca 0.17 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.91 3dcg h PHE 77 Cb -0.02 0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3dcg h PHE 77 CO -0.03 -0.30 0.01 1.15 -0.60 0.00 0.00 178.31 178.53 3dcg h THR 78 N -0.19 1.26 0.00 -1.55 2.02 -1.44 -1.43 112.91 111.58 3dcg h THR 78 Ca 0.17 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.31 3dcg h THR 78 Cb 0.45 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3dcg h THR 78 CO -0.45 0.36 -0.04 0.22 0.37 0.00 0.00 175.52 175.99 3dcg h TYR 79 N 0.67 -0.09 -0.37 3.16 3.20 -0.72 -1.04 116.97 121.78 3dcg h TYR 79 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3dcg h TYR 79 Cb 0.49 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3dcg h TYR 79 CO 0.04 -0.06 0.24 -0.22 -1.64 0.00 0.00 178.16 176.52 3dcg h LYS 80 N -0.06 0.49 -0.43 1.82 3.64 -0.11 -1.66 116.57 120.25 3dcg h LYS 80 Ca 0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3dcg h LYS 80 Cb 0.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3dcg h LYS 80 CO -0.04 0.33 0.02 0.28 -2.27 0.00 0.00 179.45 177.77 3dcg h VAL 81 N 0.50 1.22 0.05 2.00 2.07 -1.15 -1.41 116.25 119.53 3dcg h VAL 81 Ca 0.14 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3dcg h VAL 81 Cb -0.05 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3dcg h VAL 81 CO -0.03 0.31 -0.02 0.03 0.02 0.00 0.00 177.57 177.88 3dcg h ARG 82 N 0.65 -0.06 -0.10 1.57 2.47 -0.98 -3.36 114.38 114.57 3dcg h ARG 82 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3dcg h ARG 82 Cb 0.38 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3dcg h ARG 82 CO 0.01 0.26 0.00 0.66 0.56 0.00 0.00 179.97 181.46 3dcg n TYR 83 N -4.97 0.11 -2.26 3.04 4.01 -0.64 -4.80 117.16 111.64 3dcg n TYR 83 Ca -0.08 -0.06 -0.42 0.00 -0.16 0.00 0.00 57.90 57.18 3dcg n TYR 83 Cb 0.18 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 3dcg n TYR 83 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3dcg s THR 84 N -1.69 3.64 -1.28 -0.72 -1.32 -0.54 -2.42 115.64 111.30 3dcg s THR 84 Ca 0.27 1.14 -0.02 0.00 -1.21 0.00 0.00 61.69 61.87 3dcg s THR 84 Cb 0.18 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 3dcg s THR 84 CO 0.27 0.06 0.26 0.59 -2.21 0.00 0.00 174.62 173.59 3dcg n ASN 85 N 4.41 -4.97 -4.79 8.08 5.03 -1.26 -5.01 115.26 116.75 3dcg n ASN 85 Ca 0.11 -0.13 -0.36 0.00 0.87 0.00 0.00 54.58 55.07 3dcg n ASN 85 Cb 0.44 -3.94 -0.05 0.00 -1.02 0.00 0.00 39.78 35.21 3dcg n ASN 85 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3dcg s SER 86 N -2.55 6.84 -0.06 6.41 0.15 -1.02 -5.00 113.70 118.47 3dcg s SER 86 Ca 0.13 1.94 -0.25 0.00 0.70 0.00 0.00 55.95 58.47 3dcg s SER 86 Cb -0.06 -2.58 -0.23 0.00 -1.71 0.00 0.00 66.02 61.45 3dcg s SER 86 CO 0.16 -0.43 1.05 0.28 1.20 0.00 0.00 173.24 175.51 3dcg h SER 87 N 2.44 0.13 -4.15 5.45 0.02 -1.95 -3.47 113.55 112.03 3dcg h SER 87 Ca -0.48 -0.73 -0.19 0.00 -0.84 0.00 0.00 61.79 59.54 3dcg h SER 87 Cb 1.21 -0.04 0.04 0.00 0.14 0.00 0.00 62.40 63.74 3dcg h SER 87 CO 0.62 0.85 0.05 0.35 -1.14 0.00 0.00 176.83 177.56 3dcg n THR 88 N -4.61 0.00 -2.15 -2.27 -2.24 -1.26 -5.06 114.28 96.69 3dcg n THR 88 Ca -0.09 -0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 3dcg n THR 88 Cb 0.43 -1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 67.44 3dcg n THR 88 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dcg s GLU 89 N -3.53 4.38 0.09 -0.78 8.01 -1.26 -5.01 118.70 120.61 3dcg s GLU 89 Ca 0.28 2.17 -0.25 0.00 0.01 0.00 0.00 54.97 57.18 3dcg s GLU 89 Cb -0.02 -3.09 -0.06 0.00 -4.31 0.00 0.00 34.13 26.65 3dcg s GLU 89 CO 0.18 -0.16 0.76 0.42 0.01 0.00 0.00 175.26 176.48 3dcg s ILE 90 N -1.09 4.59 0.64 -1.63 1.01 -1.26 -5.05 121.20 118.41 3dcg s ILE 90 Ca 0.49 1.64 -0.17 0.00 0.00 0.00 0.00 60.65 62.61 3dcg s ILE 90 Cb -0.39 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 3dcg s ILE 90 CO 0.51 0.43 1.16 -2.16 0.00 0.00 0.00 174.94 174.89 3dcg s PRO 91 N -0.53 2.77 0.40 2.79 0.04 -1.26 -4.98 135.00 134.23 3dcg s PRO 91 Ca 0.37 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 3dcg s PRO 91 Cb -0.21 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3dcg s PRO 91 CO 0.24 -1.32 1.40 -1.21 0.04 0.00 0.00 177.00 176.15 3dcg s GLU 92 N -3.71 3.97 -0.43 4.56 0.41 -1.26 -4.99 118.70 117.25 3dcg s GLU 92 Ca 0.73 2.38 -0.19 0.00 -0.41 0.00 0.00 54.97 57.48 3dcg s GLU 92 Cb -0.26 -2.83 0.02 0.00 -1.78 0.00 0.00 34.13 29.28 3dcg s GLU 92 CO 0.38 -0.57 0.55 0.12 -0.49 0.00 0.00 175.26 175.24 3dcg s PHE 93 N -1.18 3.11 0.02 1.61 5.36 -1.26 -5.04 117.98 120.61 3dcg s PHE 93 Ca 0.56 -0.17 -0.30 0.00 -0.96 0.00 0.00 56.93 56.06 3dcg s PHE 93 Cb -0.43 -3.14 -0.05 0.00 -0.34 0.00 0.00 43.02 39.07 3dcg s PHE 93 CO 0.56 -0.78 1.16 -2.14 -1.46 0.00 0.00 175.22 172.57 3dcg s PRO 94 N 2.52 4.43 -0.13 10.12 0.02 -1.26 -5.00 135.00 145.69 3dcg s PRO 94 Ca 0.18 1.69 -0.03 0.00 0.02 0.00 0.00 61.00 62.86 3dcg s PRO 94 Cb -0.15 -3.42 0.05 0.00 0.02 0.00 0.00 34.50 30.99 3dcg s PRO 94 CO 0.16 -0.27 0.03 0.42 -0.33 0.00 0.00 177.00 177.01 3dcg s ILE 95 N 1.34 0.33 0.11 2.83 1.01 -1.26 -5.12 121.20 120.45 3dcg s ILE 95 Ca 0.57 -0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.74 3dcg s ILE 95 Cb -0.27 -0.71 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 3dcg s ILE 95 CO 0.27 -0.02 1.75 0.00 0.00 0.00 0.00 174.94 176.95 3dcg s ALA 96 N 1.97 3.75 0.50 9.38 0.00 -1.26 -4.89 121.76 131.21 3dcg s ALA 96 Ca 0.02 1.37 0.32 0.00 0.00 0.00 0.00 51.96 53.67 3dcg s ALA 96 Cb -0.15 -3.73 1.44 0.00 0.00 0.00 0.00 23.12 20.68 3dcg s ALA 96 CO -0.07 -1.15 1.78 -1.00 0.00 0.00 0.00 175.76 175.33 3dcg h PRO 97 N 8.33 0.10 -0.96 0.00 0.13 -2.00 -0.93 132.00 136.68 3dcg h PRO 97 Ca -0.45 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.83 3dcg h PRO 97 Cb 1.21 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 3dcg h PRO 97 CO 0.94 0.07 0.60 0.93 -0.23 0.00 0.00 178.00 180.31 3dcg h GLU 98 N 0.10 0.78 -0.01 0.86 3.07 -2.06 -2.64 114.58 114.68 3dcg h GLU 98 Ca 0.59 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3dcg h GLU 98 Cb 2.12 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.86 3dcg h GLU 98 CO -0.10 0.52 -0.65 0.44 -1.40 0.00 0.00 179.01 177.82 3dcg n ILE 99 N -4.62 0.00 -0.13 3.13 -5.35 -0.38 -4.66 119.36 107.35 3dcg n ILE 99 Ca 0.19 -0.16 -0.04 0.00 -0.27 0.00 0.00 62.75 62.48 3dcg n ILE 99 Cb 0.46 1.10 0.04 0.00 -1.74 0.00 0.00 39.64 39.51 3dcg n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dcg h ALA 100 N 3.55 0.46 -0.33 -1.28 0.00 -1.20 0.13 119.26 120.59 3dcg h ALA 100 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dcg h ALA 100 Cb 0.65 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3dcg h ALA 100 CO 0.00 -0.33 0.09 1.25 0.00 0.00 0.00 179.25 180.26 3dcg h LEU 101 N 0.20 0.50 -0.78 0.00 6.46 -1.83 0.65 115.31 120.51 3dcg h LEU 101 Ca 0.21 -0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3dcg h LEU 101 Cb 0.27 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 3dcg h LEU 101 CO -0.29 0.60 0.50 -0.33 -0.62 0.00 0.00 178.44 178.30 3dcg h GLU 102 N 0.38 0.98 -0.48 1.25 5.08 -1.79 -2.09 114.58 117.91 3dcg h GLU 102 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3dcg h GLU 102 Cb 0.29 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3dcg h GLU 102 CO 0.00 0.65 0.28 1.25 -1.00 0.00 0.00 179.01 180.19 3dcg h LEU 103 N 1.01 0.59 -0.12 1.33 6.46 -0.39 -0.51 115.31 123.68 3dcg h LEU 103 Ca 0.30 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 3dcg h LEU 103 Cb -0.06 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.67 3dcg h LEU 103 CO -0.09 0.48 -0.22 0.25 -0.62 0.00 0.00 178.44 178.25 3dcg h LEU 104 N 0.64 -0.68 -0.74 2.25 6.46 -0.63 0.31 115.31 122.93 3dcg h LEU 104 Ca 0.17 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 3dcg h LEU 104 Cb 0.01 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 3dcg h LEU 104 CO -0.03 -0.27 0.36 0.24 -0.62 0.00 0.00 178.44 178.11 3dcg h MET 105 N -0.29 1.06 -0.42 1.25 2.86 -1.13 -0.38 114.93 117.88 3dcg h MET 105 Ca 0.10 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3dcg h MET 105 Cb 0.43 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3dcg h MET 105 CO -0.28 0.83 0.08 0.00 1.06 0.00 0.00 176.91 178.59 3dcg h ALA 106 N 1.18 0.55 -0.68 6.32 0.00 -0.83 -1.61 119.26 124.19 3dcg h ALA 106 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3dcg h ALA 106 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3dcg h ALA 106 CO -0.03 0.26 0.21 0.00 0.00 0.00 0.00 179.25 179.69 3dcg h ALA 107 N 0.94 0.89 0.31 0.00 0.00 -0.02 -1.11 119.26 120.26 3dcg h ALA 107 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dcg h ALA 107 Cb 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dcg h ALA 107 CO 0.01 0.57 -0.16 -0.97 0.00 0.00 0.00 179.25 178.69 3dcg h ASN 108 N 0.99 -0.39 -0.81 0.00 -1.24 -0.97 0.25 115.58 113.41 3dcg h ASN 108 Ca 0.22 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.29 3dcg h ASN 108 Cb 0.30 0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 3dcg h ASN 108 CO -0.01 -0.27 0.53 0.15 -1.29 0.00 0.00 177.43 176.55 3dcg h PHE 109 N -0.43 0.94 0.00 0.67 3.57 -1.13 -2.02 116.94 118.54 3dcg h PHE 109 Ca -0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3dcg h PHE 109 Cb 0.34 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3dcg h PHE 109 CO -0.07 0.53 -0.17 1.28 -2.23 0.00 0.00 178.31 177.65 3dcg n LEU 110 N -4.46 0.35 -3.38 0.59 4.77 -0.43 -4.73 117.00 109.71 3dcg n LEU 110 Ca 0.11 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.30 3dcg n LEU 110 Cb 0.15 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 3dcg n LEU 110 CO 0.34 -0.02 0.03 -0.67 -1.33 0.00 0.00 177.39 175.74 3dcg n ASP 111 N -1.73 -4.94 0.00 -1.43 2.03 0.02 -2.15 116.55 108.34 3dcg n ASP 111 Ca 0.06 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.64 3dcg n ASP 111 Cb 0.37 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 35.87 3dcg n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28