#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uck s VAL 2 N 0.00 4.94 -1.08 2.53 1.01 -1.26 -4.65 120.40 121.89 1uck s VAL 2 Ca 0.00 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 1uck s VAL 2 Cb 0.00 -3.95 -0.13 0.00 0.00 0.00 0.00 36.38 32.30 1uck s VAL 2 CO 0.00 0.38 2.99 -1.20 0.00 0.00 0.00 175.10 177.27 1uck n SER 3 N 2.97 7.20 -0.08 3.32 7.64 0.26 -4.94 113.62 129.99 1uck n SER 3 Ca -0.06 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.33 1uck n SER 3 Cb 0.51 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1uck n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uck n GLY 4 N 3.30 -0.16 3.59 0.23 0.00 -1.26 -4.68 105.19 106.22 1uck n GLY 4 Ca 0.64 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1uck n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uck s THR 5 N 0.00 3.43 -0.01 2.61 2.01 -1.26 -0.28 115.64 122.14 1uck s THR 5 Ca 0.00 -1.26 0.03 0.00 0.31 0.00 0.00 61.69 60.76 1uck s THR 5 Cb 0.00 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1uck s THR 5 CO 0.00 0.10 -0.09 0.54 -0.69 0.00 0.00 174.62 174.48 1uck s VAL 6 N -1.25 0.72 0.26 3.82 0.11 0.76 -4.87 120.40 119.95 1uck s VAL 6 Ca 0.22 -0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 58.59 1uck s VAL 6 Cb -0.11 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 1uck s VAL 6 CO 0.14 0.21 1.17 0.00 -3.33 0.00 0.00 175.10 173.29 1uck h LEU 8 N 4.17 0.39 -1.37 0.00 5.85 -0.83 -0.05 115.31 123.46 1uck h LEU 8 Ca -0.46 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1uck h LEU 8 Cb 1.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1uck h LEU 8 CO 0.69 0.26 0.00 0.77 -0.34 0.00 0.00 178.44 179.82 1uck h SER 9 N 0.45 0.00 1.15 1.25 4.64 -1.73 -2.35 113.55 116.96 1uck h SER 9 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1uck h SER 9 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1uck h SER 9 CO -0.05 0.00 -0.63 0.00 -0.87 0.00 0.00 176.83 175.28 1uck h ALA 10 N 2.09 0.64 -2.37 5.18 0.00 -1.28 -3.47 119.26 120.05 1uck h ALA 10 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1uck h ALA 10 Cb 0.37 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.23 1uck h ALA 10 CO 0.00 0.00 0.29 -0.51 0.00 0.00 0.00 179.25 179.03 1uck s LEU 11 N -5.04 3.10 0.76 0.00 1.43 -0.89 -5.03 118.68 113.01 1uck s LEU 11 Ca 0.04 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 1uck s LEU 11 Cb 0.10 -3.76 0.04 0.00 0.03 0.00 0.00 46.19 42.60 1uck s LEU 11 CO 0.73 -1.16 1.13 -2.65 0.23 0.00 0.00 176.35 174.64 1uck n PRO 12 N -2.76 0.44 0.20 1.29 -0.02 -1.26 -4.86 135.00 128.03 1uck n PRO 12 Ca 0.05 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 1uck n PRO 12 Cb 0.57 -2.38 0.69 0.00 -0.02 0.00 0.00 33.50 32.36 1uck n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1uck h PRO 13 N -0.46 0.00 0.00 0.52 0.13 -1.95 -1.11 132.00 129.13 1uck h PRO 13 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1uck h PRO 13 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uck h PRO 13 CO 0.47 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.12 1uck h GLU 14 N 0.00 0.00 -0.54 0.86 3.07 -1.89 -1.35 114.58 114.73 1uck h GLU 14 Ca 0.06 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 1uck h GLU 14 Cb 0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1uck h GLU 14 CO -0.00 0.05 0.03 0.00 -1.40 0.00 0.00 179.01 177.69 1uck h ALA 15 N 1.95 1.03 -0.44 3.43 0.00 -1.53 -0.85 119.26 122.86 1uck h ALA 15 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1uck h ALA 15 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1uck h ALA 15 CO 0.01 0.61 -0.20 1.15 0.00 0.00 0.00 179.25 180.82 1uck h THR 16 N 0.84 1.27 -0.39 0.00 2.02 -1.38 -2.00 112.91 113.28 1uck h THR 16 Ca 0.16 -1.34 0.04 0.00 0.77 0.00 0.00 66.41 66.03 1uck h THR 16 Cb 0.46 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1uck h THR 16 CO 0.02 0.46 0.17 0.44 0.37 0.00 0.00 175.52 176.98 1uck h ASP 17 N 0.74 0.24 -0.51 4.18 3.32 -1.18 -0.59 116.42 122.61 1uck h ASP 17 Ca 0.10 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1uck h ASP 17 Cb 0.76 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1uck h ASP 17 CO 0.06 0.18 0.30 0.74 -1.72 0.00 0.00 179.24 178.80 1uck h THR 18 N 0.36 1.16 -0.81 0.35 2.02 -1.05 -1.12 112.91 113.82 1uck h THR 18 Ca 0.17 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1uck h THR 18 Cb 0.10 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1uck h THR 18 CO -0.14 0.16 0.45 -0.07 0.37 0.00 0.00 175.52 176.30 1uck h LEU 19 N 0.68 1.00 -1.15 2.58 3.38 -0.95 -0.20 115.31 120.65 1uck h LEU 19 Ca 0.18 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1uck h LEU 19 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1uck h LEU 19 CO -0.03 0.80 0.01 0.78 0.09 0.00 0.00 178.44 180.09 1uck h ASN 20 N 1.12 0.57 0.02 -0.43 2.35 -0.69 -0.56 115.58 117.96 1uck h ASN 20 Ca 0.29 -0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.75 1uck h ASN 20 Cb 0.01 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1uck h ASN 20 CO -0.05 0.63 -0.59 -0.07 -1.65 0.00 0.00 177.43 175.70 1uck h LEU 21 N 0.58 0.66 -0.70 1.61 3.38 -0.53 -1.90 115.31 118.40 1uck h LEU 21 Ca 0.12 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1uck h LEU 21 Cb 0.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1uck h LEU 21 CO 0.01 1.10 0.20 0.40 0.09 0.00 0.00 178.44 180.24 1uck h ILE 22 N 0.44 1.26 -0.65 1.22 2.04 -0.59 0.58 117.51 121.81 1uck h ILE 22 Ca -0.00 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1uck h ILE 22 Cb 1.15 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1uck h ILE 22 CO 0.11 0.36 0.40 0.00 0.00 0.00 0.00 178.15 179.02 1uck h ALA 23 N 1.09 0.83 -0.01 1.87 0.00 -0.93 -2.01 119.26 120.10 1uck h ALA 23 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1uck h ALA 23 Cb 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uck h ALA 23 CO -0.00 0.30 -0.07 -1.13 0.00 0.00 0.00 179.25 178.35 1uck n SER 24 N -4.59 1.03 -3.10 0.00 3.41 -0.73 -4.93 113.62 104.71 1uck n SER 24 Ca 0.05 -1.16 -0.19 0.00 -0.26 0.00 0.00 58.87 57.31 1uck n SER 24 Cb 0.05 0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1uck n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uck n ASP 25 N -0.33 -4.68 0.00 4.04 2.03 0.82 -4.77 116.55 113.66 1uck n ASP 25 Ca 0.18 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.01 1uck n ASP 25 Cb 0.31 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.34 1uck n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uck n GLY 26 N -1.59 -1.79 3.76 0.27 0.00 0.17 -4.82 105.19 101.18 1uck n GLY 26 Ca -0.06 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1uck n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uck s PRO 27 N 0.00 3.39 0.09 1.61 0.02 -1.26 -4.95 135.00 133.90 1uck s PRO 27 Ca 0.00 2.17 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 1uck s PRO 27 Cb 0.00 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 32.09 1uck s PRO 27 CO 0.00 -0.97 0.27 -0.06 -0.33 0.00 0.00 177.00 175.92 1uck s PHE 28 N -1.33 3.51 0.17 6.54 0.08 -1.26 -5.02 117.98 120.67 1uck s PHE 28 Ca 0.67 0.38 -0.10 0.00 0.12 0.00 0.00 56.93 58.01 1uck s PHE 28 Cb -0.39 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.25 1uck s PHE 28 CO 0.47 0.54 1.62 -1.00 -0.10 0.00 0.00 175.22 176.74 1uck h PRO 29 N 3.06 1.03 -6.28 0.24 0.13 -1.98 -3.44 132.00 124.75 1uck h PRO 29 Ca -0.46 -0.34 -0.67 0.00 -0.87 0.00 0.00 66.00 63.66 1uck h PRO 29 Cb 1.16 -0.08 -0.17 0.00 0.13 0.00 0.00 31.00 32.04 1uck h PRO 29 CO 0.74 1.03 -0.70 0.71 -0.23 0.00 0.00 178.00 179.56 1uck s TYR 30 N -4.97 2.91 0.34 1.56 2.02 -1.26 -5.01 117.35 112.94 1uck s TYR 30 Ca -0.12 -0.03 0.35 0.00 -0.37 0.00 0.00 57.07 56.91 1uck s TYR 30 Cb 0.13 -1.61 1.69 0.00 -0.40 0.00 0.00 41.96 41.77 1uck s TYR 30 CO 0.85 0.39 2.11 0.66 -1.57 0.00 0.00 175.55 177.99 1uck h SER 31 N 4.47 0.00 0.62 2.29 4.64 -2.05 -1.46 113.55 122.05 1uck h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1uck h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1uck h SER 31 CO 0.54 0.04 -0.03 0.00 -0.87 0.00 0.00 176.83 176.50 1uck n GLN 32 N -3.21 0.37 -2.26 4.77 1.13 -1.26 -4.82 117.38 112.10 1uck n GLN 32 Ca -0.01 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.60 1uck n GLN 32 Cb 0.23 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1uck n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1uck s ASP 33 N -2.65 6.90 0.00 1.08 1.01 -0.55 -2.88 116.67 119.57 1uck s ASP 33 Ca 0.25 2.16 0.00 0.00 0.71 0.00 0.00 52.55 55.68 1uck s ASP 33 Cb 0.20 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1uck s ASP 33 CO 0.48 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.84 1uck n GLY 34 N 3.48 0.49 3.81 0.21 0.00 0.48 -5.01 105.19 108.66 1uck n GLY 34 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1uck n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uck s VAL 35 N -2.06 3.98 0.35 1.61 -7.23 -1.14 -4.68 120.40 111.23 1uck s VAL 35 Ca 0.00 0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 60.71 1uck s VAL 35 Cb 0.00 -3.43 -0.10 0.00 0.56 0.00 0.00 36.38 33.41 1uck s VAL 35 CO 0.00 -0.66 1.31 -0.69 -0.31 0.00 0.00 175.10 174.75 1uck s VAL 36 N -2.69 2.67 -0.30 1.32 1.01 -1.26 -1.08 120.40 120.07 1uck s VAL 36 Ca 0.61 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 1uck s VAL 36 Cb -0.15 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1uck s VAL 36 CO 0.43 0.14 0.19 0.12 0.00 0.00 0.00 175.10 175.98 1uck s PHE 37 N -1.17 3.21 0.11 5.22 5.36 -0.12 -4.75 117.98 125.84 1uck s PHE 37 Ca 0.51 -0.13 0.28 0.00 -0.96 0.00 0.00 56.93 56.63 1uck s PHE 37 Cb -0.39 -2.40 1.11 0.00 -0.34 0.00 0.00 43.02 41.00 1uck s PHE 37 CO 0.52 -0.28 1.89 1.96 -1.46 0.00 0.00 175.22 177.85 1uck h GLN 38 N 8.40 0.00 -6.11 10.12 4.20 -1.94 -3.40 115.11 126.38 1uck h GLN 38 Ca -0.34 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.95 1uck h GLN 38 Cb 1.17 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.00 1uck h GLN 38 CO 0.59 0.12 -0.81 -1.71 -0.67 0.00 0.00 178.83 176.35 1uck n ASN 39 N -3.26 -1.98 0.26 1.46 5.15 -1.26 -4.86 115.26 110.76 1uck n ASN 39 Ca 0.00 -0.80 0.09 0.00 -0.60 0.00 0.00 54.58 53.28 1uck n ASN 39 Cb 0.37 -4.08 0.68 0.00 -0.53 0.00 0.00 39.78 36.22 1uck n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1uck h ARG 40 N -1.93 0.00 -0.35 1.20 3.08 -2.00 -1.89 114.38 112.48 1uck h ARG 40 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1uck h ARG 40 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1uck h ARG 40 CO 0.58 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.93 1uck n GLU 41 N -4.25 2.10 -2.56 0.04 4.71 -1.26 -4.93 120.64 114.50 1uck n GLU 41 Ca -0.03 -1.69 -0.16 0.00 -0.01 0.00 0.00 57.16 55.28 1uck n GLU 41 Cb 0.14 -1.43 -0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1uck n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1uck n SER 42 N 0.89 -4.53 -0.04 1.62 7.64 -0.71 -4.85 113.62 113.64 1uck n SER 42 Ca 0.17 0.06 -0.10 0.00 1.01 0.00 0.00 58.87 60.01 1uck n SER 42 Cb 0.44 -3.80 0.04 0.00 -1.01 0.00 0.00 64.21 59.88 1uck n SER 42 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1uck h THR 43 N -0.19 1.30 -2.79 0.44 2.02 -1.92 -3.40 112.91 108.36 1uck h THR 43 Ca -0.37 -1.67 -0.47 0.00 0.77 0.00 0.00 66.41 64.67 1uck h THR 43 Cb 1.27 1.60 0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1uck h THR 43 CO 0.44 0.53 -0.16 -0.76 0.37 0.00 0.00 175.52 175.94 1uck s LEU 44 N -8.56 3.90 0.37 2.58 1.43 -1.26 -0.49 118.68 116.64 1uck s LEU 44 Ca -0.09 0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 53.18 1uck s LEU 44 Cb 0.11 -3.28 -0.13 0.00 0.03 0.00 0.00 46.19 42.92 1uck s LEU 44 CO 0.85 -0.42 0.81 -2.65 0.23 0.00 0.00 176.35 175.17 1uck n PRO 45 N -1.88 0.96 -2.19 1.29 -0.02 -1.26 -4.86 135.00 127.04 1uck n PRO 45 Ca -0.03 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1uck n PRO 45 Cb 0.57 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1uck n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uck s THR 46 N -1.27 3.58 0.15 3.45 2.01 -1.26 -5.00 115.64 117.30 1uck s THR 46 Ca 0.62 1.02 -0.03 0.00 0.31 0.00 0.00 61.69 63.61 1uck s THR 46 Cb -0.64 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1uck s THR 46 CO 0.58 0.02 0.13 -1.10 -0.69 0.00 0.00 174.62 173.56 1uck s GLN 47 N 2.11 1.02 0.72 4.92 -1.52 -1.26 -5.14 119.66 120.51 1uck s GLN 47 Ca 0.65 -1.37 -0.15 0.00 -1.95 0.00 0.00 55.36 52.54 1uck s GLN 47 Cb -0.33 0.29 0.03 0.00 -0.22 0.00 0.00 33.01 32.78 1uck s GLN 47 CO 0.28 -0.32 1.19 -1.12 -0.25 0.00 0.00 175.29 175.07 1uck s SER 48 N -3.03 4.33 0.23 5.90 0.01 -1.26 -4.90 113.70 114.97 1uck s SER 48 Ca 0.23 2.29 -0.31 0.00 1.31 0.00 0.00 55.95 59.47 1uck s SER 48 Cb 0.06 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.60 1uck s SER 48 CO 0.02 -2.17 1.60 -0.47 0.41 0.00 0.00 173.24 172.63 1uck s TYR 49 N -2.06 2.92 0.00 2.43 6.14 -1.26 -2.29 117.35 123.24 1uck s TYR 49 Ca 0.73 0.65 0.00 0.00 0.64 0.00 0.00 57.07 59.09 1uck s TYR 49 Cb -0.27 -4.01 0.00 0.00 0.42 0.00 0.00 41.96 38.09 1uck s TYR 49 CO 0.45 -3.61 0.00 0.41 0.64 0.00 0.00 175.55 173.43 1uck n GLY 50 N 3.13 0.43 0.20 8.97 0.00 -1.26 -4.95 105.19 111.71 1uck n GLY 50 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1uck n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1uck h TYR 51 N 0.00 0.54 -3.21 1.61 5.03 -1.79 -3.44 116.97 115.70 1uck h TYR 51 Ca 0.00 -0.19 -0.66 0.00 2.58 0.00 0.00 58.73 60.46 1uck h TYR 51 Cb 0.00 -0.10 -0.12 0.00 1.55 0.00 0.00 36.73 38.06 1uck h TYR 51 CO 0.00 0.88 -0.60 0.71 -1.32 0.00 0.00 178.16 177.83 1uck s TYR 52 N -3.95 3.20 0.06 -3.82 2.02 -1.26 -3.58 117.35 110.01 1uck s TYR 52 Ca -0.06 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 1uck s TYR 52 Cb 0.12 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1uck s TYR 52 CO 0.82 0.51 -0.09 -1.01 -1.57 0.00 0.00 175.55 174.21 1uck s HIS 53 N -1.12 0.80 0.09 2.71 3.76 -0.98 -0.95 115.29 119.61 1uck s HIS 53 Ca 0.21 -0.54 0.10 0.00 -0.15 0.00 0.00 55.06 54.67 1uck s HIS 53 Cb -0.12 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 1uck s HIS 53 CO 0.11 -0.06 -0.25 -1.83 -0.85 0.00 0.00 174.74 171.86 1uck s GLU 54 N -1.88 1.64 0.01 1.40 -1.05 -0.24 -0.42 118.70 118.15 1uck s GLU 54 Ca -0.06 -1.22 0.02 0.00 -0.15 0.00 0.00 54.97 53.56 1uck s GLU 54 Cb -0.08 -1.98 -0.01 0.00 -0.44 0.00 0.00 34.13 31.62 1uck s GLU 54 CO 0.00 0.48 -0.06 0.71 0.95 0.00 0.00 175.26 177.35 1uck s TYR 55 N -0.98 0.51 0.27 4.83 1.51 -0.08 -0.39 117.35 123.03 1uck s TYR 55 Ca 0.14 -0.20 -0.29 0.00 -1.01 0.00 0.00 57.07 55.70 1uck s TYR 55 Cb -0.10 -0.32 -0.09 0.00 -0.11 0.00 0.00 41.96 41.33 1uck s TYR 55 CO 0.05 -0.03 1.21 0.99 -1.11 0.00 0.00 175.55 176.66 1uck s THR 56 N -0.48 3.21 -0.34 -0.71 2.01 -1.26 -1.35 115.64 116.71 1uck s THR 56 Ca -0.02 1.15 -0.02 0.00 0.31 0.00 0.00 61.69 63.11 1uck s THR 56 Cb -0.04 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.80 1uck s THR 56 CO -0.00 0.25 0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 1uck s VAL 57 N -0.83 3.14 0.25 3.82 1.01 -0.58 -4.79 120.40 122.42 1uck s VAL 57 Ca 0.49 -1.60 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 1uck s VAL 57 Cb -0.35 -2.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.97 1uck s VAL 57 CO 0.44 -0.32 1.44 -0.38 0.00 0.00 0.00 175.10 176.28 1uck n ILE 58 N 4.62 0.95 -3.81 2.22 5.41 -1.26 -4.42 119.36 123.06 1uck n ILE 58 Ca -0.09 -0.24 -0.36 0.00 1.00 0.00 0.00 62.75 63.06 1uck n ILE 58 Cb 0.43 -1.54 -0.13 0.00 -0.71 0.00 0.00 39.64 37.69 1uck n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1uck s THR 59 N -0.04 3.40 0.24 1.39 2.01 -1.26 -4.76 115.64 116.63 1uck s THR 59 Ca 0.68 -1.40 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 1uck s THR 59 Cb -0.63 -3.01 -0.12 0.00 0.01 0.00 0.00 72.50 68.75 1uck s THR 59 CO 0.49 -0.25 1.57 -2.65 -0.69 0.00 0.00 174.62 173.09 1uck n PRO 60 N 4.70 2.46 0.00 4.92 -0.02 -1.26 -2.09 135.00 143.72 1uck n PRO 60 Ca -0.11 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1uck n PRO 60 Cb 0.43 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1uck n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uck n GLY 61 N 2.69 2.78 3.76 -1.23 0.00 -1.26 -5.04 105.19 106.90 1uck n GLY 61 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1uck n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uck s ALA 62 N -2.22 3.36 -0.70 4.61 0.00 -0.89 -4.93 121.76 120.99 1uck s ALA 62 Ca 0.00 0.91 0.25 0.00 0.00 0.00 0.00 51.96 53.11 1uck s ALA 62 Cb 0.00 -3.33 0.47 0.00 0.00 0.00 0.00 23.12 20.25 1uck s ALA 62 CO 0.00 -0.23 1.43 2.89 0.00 0.00 0.00 175.76 179.85 1uck n ARG 63 N 0.94 0.25 -1.54 0.00 1.85 -1.26 -4.88 116.66 112.03 1uck n ARG 63 Ca -0.00 0.10 -0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1uck n ARG 63 Cb 0.45 -1.68 -0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1uck n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1uck n THR 64 N -2.06 0.00 0.81 8.89 -2.24 -1.26 -4.98 114.28 113.43 1uck n THR 64 Ca 0.04 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1uck n THR 64 Cb 0.43 -0.47 0.45 0.00 -2.10 0.00 0.00 70.33 68.64 1uck n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1uck n ARG 65 N -0.48 0.15 0.00 -0.78 1.74 -1.26 -4.92 116.66 111.11 1uck n ARG 65 Ca -0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1uck n ARG 65 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1uck n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uck n GLY 66 N 0.42 -2.04 0.26 -0.13 0.00 -1.26 -4.61 105.19 97.83 1uck n GLY 66 Ca 0.07 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.63 1uck n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uck n THR 67 N 0.00 0.77 -3.80 2.61 -2.24 -1.26 -4.93 114.28 105.44 1uck n THR 67 Ca 0.00 -0.89 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 1uck n THR 67 Cb 0.00 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 1uck n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uck s ARG 68 N -0.87 4.06 0.13 -0.78 0.52 -1.26 -0.92 118.95 119.83 1uck s ARG 68 Ca 0.09 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 54.95 1uck s ARG 68 Cb 0.05 -3.35 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1uck s ARG 68 CO 0.07 0.35 0.31 1.03 0.02 0.00 0.00 175.30 177.08 1uck s ARG 69 N 0.19 1.05 -0.12 3.54 1.81 -0.14 -1.52 118.95 123.76 1uck s ARG 69 Ca 0.08 -0.94 0.03 0.00 -1.72 0.00 0.00 55.73 53.19 1uck s ARG 69 Cb -0.11 0.41 0.01 0.00 -0.45 0.00 0.00 34.95 34.80 1uck s ARG 69 CO -0.01 -0.38 -0.22 0.42 -0.68 0.00 0.00 175.30 174.42 1uck s ILE 70 N -3.87 2.00 -0.18 1.52 1.01 -0.46 -1.49 121.20 119.72 1uck s ILE 70 Ca 0.08 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 1uck s ILE 70 Cb 0.03 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1uck s ILE 70 CO -0.08 0.54 -0.01 -0.63 0.00 0.00 0.00 174.94 174.77 1uck s ILE 71 N 0.61 4.00 0.01 2.92 1.09 0.95 -0.90 121.20 129.89 1uck s ILE 71 Ca -0.13 -0.30 -0.05 0.00 -1.10 0.00 0.00 60.65 59.07 1uck s ILE 71 Cb -0.17 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.40 1uck s ILE 71 CO 0.03 0.45 0.24 0.42 -0.10 0.00 0.00 174.94 175.98 1uck s THR 72 N 0.71 5.35 0.37 2.92 -4.23 0.44 -0.05 115.64 121.15 1uck s THR 72 Ca -0.00 0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 1uck s THR 72 Cb -0.14 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 1uck s THR 72 CO 0.02 0.33 0.12 -0.83 -0.54 0.00 0.00 174.62 173.72 1uck s GLY 73 N -1.86 2.15 0.45 3.99 0.00 0.64 -2.33 107.32 110.37 1uck s GLY 73 Ca 0.28 -1.99 0.28 0.00 0.00 0.00 0.00 44.72 43.29 1uck s GLY 73 CO 0.18 -1.86 1.79 0.83 0.00 0.00 0.00 173.10 174.03 1uck h GLU 74 N 1.56 0.00 -7.29 2.90 5.08 -1.84 -3.42 114.58 111.56 1uck h GLU 74 Ca -0.43 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.42 1uck h GLU 74 Cb 1.25 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.62 1uck h GLU 74 CO 0.67 0.00 0.34 0.00 -1.00 0.00 0.00 179.01 179.02 1uck s ALA 75 N -3.40 2.40 0.11 3.43 0.00 -1.26 -4.94 121.76 118.11 1uck s ALA 75 Ca 0.05 0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 1uck s ALA 75 Cb 0.08 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 1uck s ALA 75 CO 0.59 -1.52 1.80 0.99 0.00 0.00 0.00 175.76 177.61 1uck s THR 76 N -2.81 2.66 -1.91 0.00 2.01 -1.26 -1.87 115.64 112.45 1uck s THR 76 Ca 0.62 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1uck s THR 76 Cb -0.17 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1uck s THR 76 CO 0.52 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.45 1uck n GLN 77 N 5.72 -1.52 -2.57 4.92 6.02 -1.26 -4.89 117.38 123.80 1uck n GLN 77 Ca 0.17 1.13 -0.41 0.00 -0.01 0.00 0.00 57.00 57.88 1uck n GLN 77 Cb 0.39 -5.52 -0.03 0.00 1.02 0.00 0.00 30.24 26.10 1uck n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1uck s GLU 78 N -3.52 3.55 -0.06 -1.09 2.12 -0.78 -4.86 118.70 114.06 1uck s GLU 78 Ca 0.00 -1.05 0.01 0.00 0.36 0.00 0.00 54.97 54.30 1uck s GLU 78 Cb 0.00 -5.23 0.02 0.00 0.26 0.00 0.00 34.13 29.17 1uck s GLU 78 CO 0.00 -2.19 -0.09 -0.51 -0.54 0.00 0.00 175.26 171.93 1uck s ASP 79 N 4.83 1.47 -0.03 -1.70 1.01 -1.26 -0.26 116.67 120.73 1uck s ASP 79 Ca 0.45 -0.23 0.04 0.00 0.71 0.00 0.00 52.55 53.52 1uck s ASP 79 Cb -0.01 -0.67 -0.03 0.00 1.01 0.00 0.00 42.92 43.22 1uck s ASP 79 CO -0.08 -0.02 -0.13 -0.31 0.21 0.00 0.00 175.17 174.85 1uck s TYR 80 N 0.87 2.74 -0.07 4.23 2.02 0.92 -0.92 117.35 127.15 1uck s TYR 80 Ca -0.11 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1uck s TYR 80 Cb -0.15 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1uck s TYR 80 CO 0.01 0.25 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.68 1uck s TYR 81 N -0.82 2.87 -0.02 2.71 5.04 0.39 -0.03 117.35 127.49 1uck s TYR 81 Ca 0.13 -0.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.71 1uck s TYR 81 Cb -0.11 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.50 1uck s TYR 81 CO 0.03 0.25 -0.06 -0.08 -1.34 0.00 0.00 175.55 174.35 1uck s THR 82 N -0.68 0.52 -0.32 4.34 -1.32 -0.55 -1.25 115.64 116.38 1uck s THR 82 Ca 0.10 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1uck s THR 82 Cb -0.11 -0.48 0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1uck s THR 82 CO 0.01 0.17 0.65 0.61 -2.21 0.00 0.00 174.62 173.86 1uck n GLY 83 N 3.29 -0.62 2.18 6.08 0.00 -1.26 -0.96 105.19 113.90 1uck n GLY 83 Ca -0.17 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1uck n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uck n ASP 84 N 0.09 4.47 -3.62 1.61 5.68 -1.18 -4.41 116.55 119.18 1uck n ASP 84 Ca 0.02 -3.54 -0.26 0.00 -0.50 0.00 0.00 54.79 50.50 1uck n ASP 84 Cb 0.10 -0.38 0.04 0.00 -1.14 0.00 0.00 41.12 39.75 1uck n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1uck n HIS 85 N -0.65 -1.99 -0.96 2.11 -0.00 -0.10 -2.66 115.22 110.97 1uck n HIS 85 Ca 0.39 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.72 1uck n HIS 85 Cb 0.91 -3.75 0.00 0.00 -0.00 0.00 0.00 29.99 27.15 1uck n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1uck n TYR 86 N -4.04 0.00 -0.03 1.57 4.01 -1.26 -4.91 117.16 112.50 1uck n TYR 86 Ca -0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.47 1uck n TYR 86 Cb 0.62 -0.84 -0.09 0.00 -0.31 0.00 0.00 39.34 38.72 1uck n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uck h ALA 87 N 0.00 0.09 -2.77 -0.72 0.00 -1.91 -3.46 119.26 110.49 1uck h ALA 87 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 1uck h ALA 87 Cb 0.36 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.95 1uck h ALA 87 CO 0.00 -0.06 -0.73 0.95 0.00 0.00 0.00 179.25 179.41 1uck s THR 88 N -4.09 0.79 0.07 0.00 -4.23 -1.26 -5.07 115.64 101.86 1uck s THR 88 Ca -0.15 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1uck s THR 88 Cb 0.03 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 1uck s THR 88 CO 0.72 -0.56 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.77 1uck s PHE 89 N -2.36 0.94 -0.02 3.99 0.40 -1.26 -4.42 117.98 115.24 1uck s PHE 89 Ca 0.02 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1uck s PHE 89 Cb -0.03 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 42.97 1uck s PHE 89 CO -0.01 -0.03 -0.09 -1.12 0.70 0.00 0.00 175.22 174.67 1uck s SER 90 N -2.07 1.22 0.17 1.36 0.01 -0.38 0.90 113.70 114.91 1uck s SER 90 Ca -0.01 -0.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 1uck s SER 90 Cb -0.06 -0.29 -0.07 0.00 0.21 0.00 0.00 66.02 65.80 1uck s SER 90 CO 0.00 0.08 1.15 -0.22 0.41 0.00 0.00 173.24 174.66 1uck s LEU 91 N 0.11 4.46 -0.04 2.44 2.96 0.61 -0.46 118.68 128.77 1uck s LEU 91 Ca -0.02 2.14 -0.23 0.00 -0.22 0.00 0.00 54.13 55.80 1uck s LEU 91 Cb -0.08 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1uck s LEU 91 CO 0.00 -0.31 0.67 -0.63 -1.32 0.00 0.00 176.35 174.77 1uck s ILE 92 N -0.00 4.98 -0.44 6.68 1.01 -0.09 -0.17 121.20 133.16 1uck s ILE 92 Ca 0.52 1.40 -0.09 0.00 0.00 0.00 0.00 60.65 62.48 1uck s ILE 92 Cb -0.31 -4.02 0.09 0.00 0.01 0.00 0.00 42.46 38.24 1uck s ILE 92 CO 0.35 0.31 0.29 -0.62 0.00 0.00 0.00 174.94 175.27 1uck s ASP 93 N 0.44 5.65 0.00 3.58 -1.08 0.75 -4.76 116.67 121.25 1uck s ASP 93 Ca 0.36 -1.67 0.22 0.00 -0.52 0.00 0.00 52.55 50.93 1uck s ASP 93 Cb -0.18 -1.99 1.30 0.00 -1.46 0.00 0.00 42.92 40.59 1uck s ASP 93 CO 0.18 -0.59 1.75 0.00 0.52 0.00 0.00 175.17 177.03 1uck n GLN 94 N 4.90 0.86 0.00 4.34 6.02 -1.26 -1.47 117.38 130.77 1uck n GLN 94 Ca -0.09 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.02 1uck n GLN 94 Cb 0.42 -1.40 0.15 0.00 1.02 0.00 0.00 30.24 30.43 1uck n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1uck n THR 95 N -0.90 0.00 -0.80 5.09 -2.24 -1.26 -4.87 114.28 109.30 1uck n THR 95 Ca 0.16 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1uck n THR 95 Cb 0.08 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1uck n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50