#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 5.30 -1.35 2.53 1.01 -1.26 -4.61 120.40 122.03 1uck s VAL 2 Ca 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 1uck s VAL 2 Cb 0.00 -3.57 0.11 0.00 0.00 0.00 0.00 36.38 32.92 1uck s VAL 2 CO 0.00 0.51 2.21 -1.20 0.00 0.00 0.00 175.10 176.62 1uck n SER 3 N 2.65 6.46 -0.01 3.32 7.64 0.23 -4.98 113.62 128.92 1uck n SER 3 Ca -0.15 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.69 1uck n SER 3 Cb 0.53 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 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 2.59 0.68 3.59 0.23 0.00 -1.26 -4.55 105.19 106.46 1uck n GLY 4 Ca 0.53 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1uck n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uck s THR 5 N 0.00 2.67 -0.13 2.61 -4.23 -1.26 -0.88 115.64 114.42 1uck s THR 5 Ca 0.00 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 1uck s THR 5 Cb 0.00 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1uck s THR 5 CO 0.00 -0.27 0.35 0.54 -0.54 0.00 0.00 174.62 174.71 1uck s VAL 6 N -2.50 -0.00 0.39 2.29 0.11 0.33 -4.83 120.40 116.18 1uck s VAL 6 Ca 0.33 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 59.13 1uck s VAL 6 Cb -0.02 -0.50 -0.09 0.00 -1.53 0.00 0.00 36.38 34.25 1uck s VAL 6 CO 0.18 0.00 1.18 0.00 -3.33 0.00 0.00 175.10 173.14 1uck h LEU 8 N 2.78 0.99 -1.14 0.00 5.85 -0.77 -0.66 115.31 122.36 1uck h LEU 8 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1uck h LEU 8 Cb 1.23 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1uck h LEU 8 CO 0.63 0.62 0.00 -1.54 -0.34 0.00 0.00 178.44 177.81 1uck n SER 9 N -4.51 0.65 -0.51 1.25 3.41 -0.97 -1.62 113.62 111.32 1uck n SER 9 Ca 0.16 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.62 1uck n SER 9 Cb 0.21 -0.84 0.25 0.00 -0.26 0.00 0.00 64.21 63.57 1uck n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uck n ALA 10 N -1.79 2.99 -2.47 7.33 0.00 -0.26 -4.92 120.51 121.39 1uck n ALA 10 Ca 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 1uck n ALA 10 Cb 0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1uck n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uck s LEU 11 N -2.29 3.93 0.57 0.00 1.43 -0.64 -5.01 118.68 116.67 1uck s LEU 11 Ca 0.26 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 53.09 1uck s LEU 11 Cb 0.19 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1uck s LEU 11 CO 0.45 -0.47 1.06 -2.65 0.23 0.00 0.00 176.35 174.97 1uck n PRO 12 N -1.72 1.12 0.04 1.29 -0.02 -1.26 -4.83 135.00 129.61 1uck n PRO 12 Ca -0.00 0.42 0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1uck n PRO 12 Cb 0.58 -2.24 0.71 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.81 0.00 0.00 0.52 0.13 -1.95 0.47 132.00 131.98 1uck h PRO 13 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1uck h PRO 13 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1uck h PRO 13 CO 0.53 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.18 1uck h GLU 14 N 0.00 0.00 -0.48 0.86 3.07 -1.88 -1.03 114.58 115.12 1uck h GLU 14 Ca 0.22 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.02 1uck h GLU 14 Cb 0.93 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 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 1.15 -0.34 3.43 0.00 -1.22 -0.91 119.26 123.32 1uck h ALA 15 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1uck h ALA 15 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uck h ALA 15 CO 0.01 0.55 -0.29 1.15 0.00 0.00 0.00 179.25 180.67 1uck h THR 16 N 0.73 1.28 -0.33 0.00 2.02 -1.30 -2.24 112.91 113.08 1uck h THR 16 Ca 0.15 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1uck h THR 16 Cb 0.40 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1uck h THR 16 CO 0.01 0.46 0.14 0.44 0.37 0.00 0.00 175.52 176.94 1uck h ASP 17 N 0.60 0.44 -0.41 4.18 3.32 -1.06 -1.76 116.42 121.74 1uck h ASP 17 Ca 0.07 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1uck h ASP 17 Cb 0.80 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1uck h ASP 17 CO 0.07 0.48 0.27 0.74 -1.72 0.00 0.00 179.24 179.07 1uck h THR 18 N 0.38 1.11 -0.52 0.35 2.02 -1.06 -1.43 112.91 113.76 1uck h THR 18 Ca 0.11 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1uck h THR 18 Cb 0.17 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1uck h THR 18 CO -0.01 0.11 0.24 -0.07 0.37 0.00 0.00 175.52 176.15 1uck h LEU 19 N 0.55 0.66 -0.77 2.58 3.38 -1.25 -0.45 115.31 120.02 1uck h LEU 19 Ca 0.15 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1uck h LEU 19 Cb -0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1uck h LEU 19 CO -0.03 0.57 -0.21 0.78 0.09 0.00 0.00 178.44 179.63 1uck h ASN 20 N 0.73 0.71 -0.25 -0.43 2.35 -0.74 -0.58 115.58 117.37 1uck h ASN 20 Ca 0.18 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 1uck h ASN 20 Cb 0.10 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1uck h ASN 20 CO -0.02 0.91 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.32 1uck h LEU 21 N 0.62 0.76 -0.70 1.61 3.38 -0.57 -2.38 115.31 118.04 1uck h LEU 21 Ca 0.09 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1uck h LEU 21 Cb 0.70 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1uck h LEU 21 CO 0.05 1.00 0.16 0.40 0.09 0.00 0.00 178.44 180.15 1uck h ILE 22 N 0.64 1.26 -0.01 1.22 2.04 -0.73 0.42 117.51 122.35 1uck h ILE 22 Ca 0.08 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1uck h ILE 22 Cb 0.79 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1uck h ILE 22 CO 0.07 0.37 -0.12 0.00 0.00 0.00 0.00 178.15 178.46 1uck h ALA 23 N 1.08 1.77 -0.39 1.87 0.00 -0.81 -0.79 119.26 122.00 1uck h ALA 23 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uck h ALA 23 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1uck h ALA 23 CO 0.00 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 1uck n SER 24 N -4.38 3.16 -3.69 0.00 3.41 -0.92 -4.95 113.62 106.24 1uck n SER 24 Ca -0.02 -1.95 -0.23 0.00 -0.26 0.00 0.00 58.87 56.40 1uck n SER 24 Cb 0.20 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.28 -3.20 0.00 4.04 -0.08 -0.30 -4.70 116.55 113.58 1uck n ASP 25 Ca 0.19 -0.73 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 1uck n ASP 25 Cb 0.55 -4.37 0.00 0.00 2.34 0.00 0.00 41.12 39.64 1uck n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uck n GLY 26 N -1.60 -1.96 3.75 0.27 0.00 0.13 -4.90 105.19 100.88 1uck n GLY 26 Ca -0.15 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 1uck n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uck s PRO 27 N 0.00 2.30 0.16 1.61 0.04 -1.26 -4.97 135.00 132.88 1uck s PRO 27 Ca 0.00 1.42 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1uck s PRO 27 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1uck s PRO 27 CO 0.00 -1.65 0.01 -0.06 0.04 0.00 0.00 177.00 175.35 1uck s PHE 28 N -2.47 2.89 0.21 0.56 0.08 -1.26 -4.98 117.98 113.01 1uck s PHE 28 Ca 0.67 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.59 1uck s PHE 28 Cb -0.21 -1.41 0.18 0.00 -0.57 0.00 0.00 43.02 41.01 1uck s PHE 28 CO 0.48 0.51 1.55 -1.00 -0.10 0.00 0.00 175.22 176.67 1uck h PRO 29 N 2.75 0.51 -6.37 0.24 0.13 -1.98 -3.45 132.00 123.83 1uck h PRO 29 Ca -0.47 -0.30 -0.66 0.00 -0.87 0.00 0.00 66.00 63.70 1uck h PRO 29 Cb 1.20 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1uck h PRO 29 CO 0.59 0.89 -0.69 0.71 -0.23 0.00 0.00 178.00 179.27 1uck s TYR 30 N -4.06 2.91 0.38 1.56 2.02 -1.26 -5.02 117.35 113.88 1uck s TYR 30 Ca -0.07 -0.05 0.13 0.00 -0.37 0.00 0.00 57.07 56.70 1uck s TYR 30 Cb 0.12 -1.54 0.75 0.00 -0.40 0.00 0.00 41.96 40.90 1uck s TYR 30 CO 0.83 0.44 1.85 0.66 -1.57 0.00 0.00 175.55 177.76 1uck h SER 31 N 3.77 0.02 0.76 2.29 4.64 -2.04 -2.38 113.55 120.61 1uck h SER 31 Ca -0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1uck h SER 31 Cb 1.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1uck h SER 31 CO 0.56 0.36 0.00 1.56 -0.87 0.00 0.00 176.83 178.44 1uck h GLN 32 N 0.02 0.00 -6.27 4.77 7.50 -1.95 -3.44 115.11 115.73 1uck h GLN 32 Ca -0.00 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.60 1uck h GLN 32 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 1uck h GLN 32 CO 0.04 0.00 1.13 -0.51 -1.50 0.00 0.00 178.83 177.99 1uck s ASP 33 N -4.77 6.55 0.00 1.46 1.01 -0.90 -2.48 116.67 117.54 1uck s ASP 33 Ca 0.02 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.49 1uck s ASP 33 Cb 0.09 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1uck s ASP 33 CO 0.43 -1.03 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1uck n GLY 34 N 4.32 0.77 3.78 0.21 0.00 -0.26 -4.97 105.19 109.03 1uck n GLY 34 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.10 3.41 0.33 1.61 -7.23 -1.04 -4.72 120.40 110.67 1uck s VAL 35 Ca 0.00 0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 60.47 1uck s VAL 35 Cb 0.00 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.72 1uck s VAL 35 CO 0.00 -0.48 1.39 -0.69 -0.31 0.00 0.00 175.10 175.01 1uck s VAL 36 N -2.57 2.50 -0.30 1.32 1.01 -1.26 -1.53 120.40 119.56 1uck s VAL 36 Ca 0.64 0.48 -0.10 0.00 0.00 0.00 0.00 61.98 63.00 1uck s VAL 36 Cb -0.18 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1uck s VAL 36 CO 0.46 0.11 0.16 0.12 0.00 0.00 0.00 175.10 175.95 1uck s PHE 37 N -0.93 3.18 -0.51 5.22 5.36 0.06 -4.71 117.98 125.65 1uck s PHE 37 Ca 0.52 -0.31 0.26 0.00 -0.96 0.00 0.00 56.93 56.43 1uck s PHE 37 Cb -0.42 -2.36 0.88 0.00 -0.34 0.00 0.00 43.02 40.78 1uck s PHE 37 CO 0.54 -0.35 1.76 1.96 -1.46 0.00 0.00 175.22 177.67 1uck h GLN 38 N 8.36 0.00 -6.38 10.12 4.20 -1.94 -3.39 115.11 126.09 1uck h GLN 38 Ca -0.34 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 57.89 1uck h GLN 38 Cb 1.16 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.88 1uck h GLN 38 CO 0.60 0.00 -0.79 -1.71 -0.67 0.00 0.00 178.83 176.26 1uck n ASN 39 N -2.45 -3.77 0.08 1.46 5.15 -1.26 -4.81 115.26 109.66 1uck n ASN 39 Ca 0.04 -0.84 0.19 0.00 -0.60 0.00 0.00 54.58 53.36 1uck n ASN 39 Cb 0.35 -3.64 0.73 0.00 -0.53 0.00 0.00 39.78 36.70 1uck n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1uck h ARG 40 N -1.94 0.00 -0.02 1.20 2.43 -2.00 -0.17 114.38 113.88 1uck h ARG 40 Ca -0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1uck h ARG 40 Cb 1.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1uck h ARG 40 CO 0.68 0.00 -0.03 0.39 -1.51 0.00 0.00 179.97 179.50 1uck n GLU 41 N -4.13 1.80 -2.37 0.20 4.71 -1.26 -4.94 120.64 114.65 1uck n GLU 41 Ca 0.07 -1.22 -0.19 0.00 -0.01 0.00 0.00 57.16 55.81 1uck n GLU 41 Cb 0.52 -1.47 -0.01 0.00 -1.01 0.00 0.00 31.44 29.47 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 0.46 -5.53 0.03 1.62 7.64 -0.08 -4.88 113.62 112.89 1uck n SER 42 Ca 0.17 -0.02 -0.06 0.00 1.01 0.00 0.00 58.87 59.96 1uck n SER 42 Cb 0.43 -4.57 0.12 0.00 -1.01 0.00 0.00 64.21 59.17 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 -0.00 1.32 -2.32 0.44 2.02 -1.92 -3.38 112.91 109.06 1uck h THR 43 Ca -0.46 -1.71 -0.45 0.00 0.77 0.00 0.00 66.41 64.57 1uck h THR 43 Cb 1.34 1.73 0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1uck h THR 43 CO 0.54 0.52 -0.23 -0.76 0.37 0.00 0.00 175.52 175.96 1uck s LEU 44 N -8.30 3.88 0.43 2.58 1.43 -1.26 0.17 118.68 117.60 1uck s LEU 44 Ca -0.06 0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 1uck s LEU 44 Cb 0.12 -2.98 -0.10 0.00 0.03 0.00 0.00 46.19 43.26 1uck s LEU 44 CO 0.81 -0.50 1.08 -2.65 0.23 0.00 0.00 176.35 175.32 1uck n PRO 45 N -1.81 1.47 -1.92 1.29 -0.02 -1.26 -4.87 135.00 127.87 1uck n PRO 45 Ca -0.01 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1uck n PRO 45 Cb 0.58 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.88 0.14 3.45 2.01 -1.26 -4.99 115.64 116.60 1uck s THR 46 Ca 0.64 0.45 -0.08 0.00 0.31 0.00 0.00 61.69 63.01 1uck s THR 46 Cb -0.54 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1uck s THR 46 CO 0.56 0.01 0.24 -1.10 -0.69 0.00 0.00 174.62 173.64 1uck s GLN 47 N 2.16 1.05 0.78 4.92 -1.52 -1.26 -5.16 119.66 120.63 1uck s GLN 47 Ca 0.73 -1.14 -0.11 0.00 -1.95 0.00 0.00 55.36 52.90 1uck s GLN 47 Cb -0.41 0.35 0.06 0.00 -0.22 0.00 0.00 33.01 32.79 1uck s GLN 47 CO 0.32 -0.36 1.10 -1.54 -0.25 0.00 0.00 175.29 174.56 1uck s SER 48 N -2.94 4.40 0.18 5.90 1.04 -1.26 -4.92 113.70 116.10 1uck s SER 48 Ca 0.14 1.87 -0.33 0.00 0.48 0.00 0.00 55.95 58.12 1uck s SER 48 Cb 0.04 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.50 1uck s SER 48 CO -0.03 -2.10 1.66 0.00 0.98 0.00 0.00 173.24 173.74 1uck n TYR 49 N -3.50 2.50 0.00 5.02 9.36 -1.26 -2.12 117.16 127.17 1uck n TYR 49 Ca 0.09 0.15 0.00 0.00 3.32 0.00 0.00 57.90 61.46 1uck n TYR 49 Cb 0.53 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 1uck n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1uck n GLY 50 N 3.70 0.46 0.22 2.98 0.00 -1.26 -4.93 105.19 106.35 1uck n GLY 50 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 0.37 -3.48 1.61 5.03 -1.75 -3.44 116.97 115.30 1uck h TYR 51 Ca 0.00 -0.08 -0.66 0.00 2.58 0.00 0.00 58.73 60.56 1uck h TYR 51 Cb 0.00 -0.09 -0.15 0.00 1.55 0.00 0.00 36.73 38.05 1uck h TYR 51 CO 0.00 0.61 -0.69 0.71 -1.32 0.00 0.00 178.16 177.47 1uck s TYR 52 N -4.34 2.90 0.03 -3.82 2.02 -1.26 -1.46 117.35 111.42 1uck s TYR 52 Ca -0.05 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1uck s TYR 52 Cb 0.14 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1uck s TYR 52 CO 0.77 0.43 -0.05 -1.01 -1.57 0.00 0.00 175.55 174.13 1uck s HIS 53 N -1.18 0.42 0.02 2.71 3.76 -0.90 -0.76 115.29 119.37 1uck s HIS 53 Ca 0.22 -0.54 0.06 0.00 -0.15 0.00 0.00 55.06 54.64 1uck s HIS 53 Cb -0.11 -0.27 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 1uck s HIS 53 CO 0.13 -0.16 -0.15 -1.83 -0.85 0.00 0.00 174.74 171.88 1uck s GLU 54 N -1.61 2.24 0.01 1.40 -1.05 -0.58 -0.66 118.70 118.44 1uck s GLU 54 Ca -0.13 -0.88 0.02 0.00 -0.15 0.00 0.00 54.97 53.83 1uck s GLU 54 Cb -0.09 -2.28 -0.01 0.00 -0.44 0.00 0.00 34.13 31.31 1uck s GLU 54 CO -0.01 0.57 -0.06 0.71 0.95 0.00 0.00 175.26 177.41 1uck s TYR 55 N -0.90 0.55 0.32 4.83 1.51 -0.08 -1.10 117.35 122.47 1uck s TYR 55 Ca 0.15 -0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 1uck s TYR 55 Cb -0.11 -0.35 -0.09 0.00 -0.11 0.00 0.00 41.96 41.30 1uck s TYR 55 CO 0.05 -0.03 1.08 0.99 -1.11 0.00 0.00 175.55 176.53 1uck s THR 56 N -0.45 3.58 -0.35 -0.71 2.01 -1.26 -0.90 115.64 117.55 1uck s THR 56 Ca -0.01 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.45 1uck s THR 56 Cb -0.04 -3.87 0.09 0.00 0.01 0.00 0.00 72.50 68.69 1uck s THR 56 CO -0.00 0.24 0.09 -0.69 -0.69 0.00 0.00 174.62 173.57 1uck s VAL 57 N -1.34 2.72 0.19 3.82 1.01 -0.66 -4.80 120.40 121.36 1uck s VAL 57 Ca 0.49 -2.08 -0.32 0.00 0.00 0.00 0.00 61.98 60.07 1uck s VAL 57 Cb -0.28 -2.87 -0.15 0.00 0.00 0.00 0.00 36.38 33.08 1uck s VAL 57 CO 0.36 -0.53 1.31 -0.38 0.00 0.00 0.00 175.10 175.86 1uck n ILE 58 N 4.43 0.79 -3.68 2.22 5.41 -1.26 -4.40 119.36 122.88 1uck n ILE 58 Ca -0.02 -0.20 -0.37 0.00 1.00 0.00 0.00 62.75 63.16 1uck n ILE 58 Cb 0.42 -1.16 -0.12 0.00 -0.71 0.00 0.00 39.64 38.07 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 -0.01 4.73 0.10 1.39 2.01 -1.26 -4.82 115.64 117.78 1uck s THR 59 Ca 0.72 -0.05 -0.36 0.00 0.31 0.00 0.00 61.69 62.31 1uck s THR 59 Cb -0.76 -3.24 -0.16 0.00 0.01 0.00 0.00 72.50 68.35 1uck s THR 59 CO 0.50 0.29 1.41 -2.65 -0.69 0.00 0.00 174.62 173.47 1uck n PRO 60 N 4.98 1.39 0.00 4.92 -0.02 -1.26 -1.67 135.00 143.34 1uck n PRO 60 Ca -0.15 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1uck n PRO 60 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.77 2.79 3.76 -1.23 0.00 -1.26 -5.02 105.19 107.01 1uck n GLY 61 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.09 3.49 -0.39 4.61 0.00 -0.67 -4.92 121.76 121.78 1uck s ALA 62 Ca 0.00 1.16 0.23 0.00 0.00 0.00 0.00 51.96 53.35 1uck s ALA 62 Cb 0.00 -3.45 0.20 0.00 0.00 0.00 0.00 23.12 19.87 1uck s ALA 62 CO 0.00 -0.52 1.29 0.00 0.00 0.00 0.00 175.76 176.53 1uck h ARG 63 N 3.88 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 115.91 1uck h ARG 63 Ca -0.48 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.22 1uck h ARG 63 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 1uck h ARG 63 CO 0.68 0.00 -0.22 0.25 -1.07 0.00 0.00 179.97 179.61 1uck n THR 64 N -2.67 0.00 0.38 2.04 -2.24 -1.26 -5.01 114.28 105.52 1uck n THR 64 Ca 0.02 -1.31 0.09 0.00 -2.27 0.00 0.00 64.05 60.58 1uck n THR 64 Cb 0.52 0.05 0.41 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.95 0.11 0.00 -0.78 1.74 -1.26 -4.83 116.66 110.69 1uck n ARG 65 Ca -0.07 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1uck n ARG 65 Cb 0.36 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.23 -0.33 0.47 -0.13 0.00 -1.26 -4.33 105.19 99.39 1uck n GLY 66 Ca 0.02 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.02 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 0.41 -3.99 2.61 -2.24 -1.26 -4.93 114.28 104.88 1uck n THR 67 Ca 0.00 -0.71 -0.35 0.00 -2.27 0.00 0.00 64.05 60.72 1uck n THR 67 Cb 0.00 0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.90 3.75 0.14 -0.78 0.52 -1.26 -0.99 118.95 119.43 1uck s ARG 68 Ca 0.15 -0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 54.96 1uck s ARG 68 Cb 0.09 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.39 1uck s ARG 68 CO 0.13 0.45 0.32 1.03 0.02 0.00 0.00 175.30 177.25 1uck s ARG 69 N -0.13 1.08 -0.11 3.54 1.81 -0.37 -1.65 118.95 123.12 1uck s ARG 69 Ca 0.08 -0.97 0.03 0.00 -1.72 0.00 0.00 55.73 53.14 1uck s ARG 69 Cb -0.12 0.41 0.01 0.00 -0.45 0.00 0.00 34.95 34.80 1uck s ARG 69 CO 0.01 -0.40 -0.19 0.42 -0.68 0.00 0.00 175.30 174.46 1uck s ILE 70 N -3.89 1.72 -0.23 1.52 1.01 -0.07 -1.58 121.20 119.68 1uck s ILE 70 Ca 0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 1uck s ILE 70 Cb 0.03 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1uck s ILE 70 CO -0.06 0.49 0.04 -0.63 0.00 0.00 0.00 174.94 174.78 1uck s ILE 71 N 0.74 4.15 0.18 2.92 -1.09 0.11 -0.90 121.20 127.31 1uck s ILE 71 Ca -0.11 -0.23 -0.12 0.00 -2.23 0.00 0.00 60.65 57.96 1uck s ILE 71 Cb -0.16 -2.92 -0.07 0.00 -1.58 0.00 0.00 42.46 37.73 1uck s ILE 71 CO 0.02 0.37 0.55 0.42 -1.23 0.00 0.00 174.94 175.06 1uck s THR 72 N 1.43 4.89 0.09 2.92 -4.23 0.16 -0.17 115.64 120.74 1uck s THR 72 Ca 0.05 0.67 0.07 0.00 -1.18 0.00 0.00 61.69 61.30 1uck s THR 72 Cb -0.15 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1uck s THR 72 CO 0.02 0.11 -0.11 -0.83 -0.54 0.00 0.00 174.62 173.28 1uck s GLY 73 N -1.98 1.77 0.58 3.99 0.00 -0.20 -2.11 107.32 109.37 1uck s GLY 73 Ca 0.42 -1.22 0.38 0.00 0.00 0.00 0.00 44.72 44.29 1uck s GLY 73 CO 0.20 -1.18 2.13 0.83 0.00 0.00 0.00 173.10 175.08 1uck h GLU 74 N 3.80 0.00 -7.20 2.90 4.39 -1.54 -3.41 114.58 113.52 1uck h GLU 74 Ca -0.49 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.70 1uck h GLU 74 Cb 1.17 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.93 1uck h GLU 74 CO 0.52 0.00 0.37 0.00 -1.16 0.00 0.00 179.01 178.74 1uck s ALA 75 N -3.86 2.38 0.18 3.43 0.00 -1.26 -4.92 121.76 117.71 1uck s ALA 75 Ca -0.02 0.60 -0.33 0.00 0.00 0.00 0.00 51.96 52.21 1uck s ALA 75 Cb 0.11 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.75 1uck s ALA 75 CO 0.46 -1.43 1.68 2.41 0.00 0.00 0.00 175.76 178.88 1uck n THR 76 N -2.55 0.04 -2.31 0.00 -1.04 -1.26 -2.34 114.28 104.83 1uck n THR 76 Ca 0.11 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.92 1uck n THR 76 Cb 0.52 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.19 1uck n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uck n GLN 77 N 3.96 -1.75 -3.52 -2.82 1.13 -1.26 -4.95 117.38 108.17 1uck n GLN 77 Ca 0.17 0.96 -0.42 0.00 -1.94 0.00 0.00 57.00 55.77 1uck n GLN 77 Cb 0.33 -5.58 -0.10 0.00 0.11 0.00 0.00 30.24 24.99 1uck n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1uck s GLU 78 N -4.88 2.88 -0.05 -1.09 2.12 -0.99 -4.95 118.70 111.75 1uck s GLU 78 Ca 0.00 -1.12 -0.04 0.00 0.36 0.00 0.00 54.97 54.17 1uck s GLU 78 Cb 0.00 -3.88 0.01 0.00 0.26 0.00 0.00 34.13 30.52 1uck s GLU 78 CO 0.00 -0.78 0.12 -0.51 -0.54 0.00 0.00 175.26 173.56 1uck s ASP 79 N 1.75 -0.13 -0.03 -1.70 1.01 -1.26 -1.03 116.67 115.28 1uck s ASP 79 Ca 0.03 0.24 0.07 0.00 0.71 0.00 0.00 52.55 53.61 1uck s ASP 79 Cb -0.20 0.25 -0.02 0.00 1.01 0.00 0.00 42.92 43.97 1uck s ASP 79 CO 0.08 -0.04 -0.25 -0.31 0.21 0.00 0.00 175.17 174.85 1uck s TYR 80 N 0.06 2.31 -0.11 4.23 2.02 0.76 -0.44 117.35 126.19 1uck s TYR 80 Ca -0.00 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1uck s TYR 80 Cb -0.01 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1uck s TYR 80 CO 0.00 -0.11 -0.05 -0.47 -1.57 0.00 0.00 175.55 173.35 1uck s TYR 81 N -0.42 2.98 -0.05 2.71 5.04 0.51 0.06 117.35 128.19 1uck s TYR 81 Ca 0.04 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.58 1uck s TYR 81 Cb -0.11 -1.82 0.01 0.00 0.35 0.00 0.00 41.96 40.38 1uck s TYR 81 CO 0.01 0.17 -0.12 -0.08 -1.34 0.00 0.00 175.55 174.19 1uck s THR 82 N -0.30 1.09 -0.42 4.34 -1.32 -0.61 -1.45 115.64 116.98 1uck s THR 82 Ca 0.05 -0.49 0.04 0.00 -1.21 0.00 0.00 61.69 60.07 1uck s THR 82 Cb -0.13 -0.98 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 1uck s THR 82 CO 0.02 0.33 0.79 0.61 -2.21 0.00 0.00 174.62 174.16 1uck n GLY 83 N 3.51 0.33 2.33 6.08 0.00 -1.26 -1.24 105.19 114.94 1uck n GLY 83 Ca -0.21 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 0.08 3.94 -3.55 1.61 5.68 -1.22 -4.56 116.55 118.53 1uck n ASP 84 Ca 0.03 -3.32 -0.23 0.00 -0.50 0.00 0.00 54.79 50.76 1uck n ASP 84 Cb 0.17 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 39.79 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 -0.58 -2.09 -0.89 2.11 -0.00 -0.16 -2.69 115.22 110.92 1uck n HIS 85 Ca 0.33 0.69 0.00 0.00 -0.00 0.00 0.00 57.72 58.74 1uck n HIS 85 Cb 0.86 -3.95 0.00 0.00 -0.00 0.00 0.00 29.99 26.89 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 -3.91 0.00 -0.01 1.57 4.01 -1.26 -4.90 117.16 112.65 1uck n TYR 86 Ca -0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.46 1uck n TYR 86 Cb 0.63 -0.80 -0.10 0.00 -0.31 0.00 0.00 39.34 38.76 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 0.00 -2.66 -0.72 0.00 -1.91 -3.46 119.26 110.52 1uck h ALA 87 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.32 1uck h ALA 87 Cb 0.24 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.86 1uck h ALA 87 CO 0.00 -0.27 -0.74 0.95 0.00 0.00 0.00 179.25 179.19 1uck s THR 88 N -4.40 1.18 0.03 0.00 -4.23 -1.26 -5.06 115.64 101.90 1uck s THR 88 Ca -0.16 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1uck s THR 88 Cb 0.02 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 1uck s THR 88 CO 0.67 -0.55 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.79 1uck s PHE 89 N -2.55 0.48 -0.02 3.99 0.08 -1.26 -4.37 117.98 114.34 1uck s PHE 89 Ca 0.10 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.79 1uck s PHE 89 Cb -0.02 -0.30 -0.01 0.00 -0.57 0.00 0.00 43.02 42.12 1uck s PHE 89 CO 0.02 -0.09 -0.11 -1.12 -0.10 0.00 0.00 175.22 173.81 1uck s SER 90 N -1.17 1.36 -0.01 1.36 0.01 -0.53 0.77 113.70 115.50 1uck s SER 90 Ca -0.09 -0.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1uck s SER 90 Cb -0.08 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1uck s SER 90 CO -0.00 0.12 1.27 -0.22 0.41 0.00 0.00 173.24 174.82 1uck s LEU 91 N -0.13 4.31 -0.04 2.44 2.96 -0.06 -0.36 118.68 127.80 1uck s LEU 91 Ca 0.02 1.96 -0.26 0.00 -0.22 0.00 0.00 54.13 55.63 1uck s LEU 91 Cb -0.06 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1uck s LEU 91 CO -0.00 -0.61 0.82 -0.63 -1.32 0.00 0.00 176.35 174.61 1uck s ILE 92 N 2.04 4.97 -0.41 6.68 1.01 0.42 -0.52 121.20 135.40 1uck s ILE 92 Ca 0.59 1.70 -0.10 0.00 0.00 0.00 0.00 60.65 62.84 1uck s ILE 92 Cb -0.28 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1uck s ILE 92 CO 0.25 0.22 0.25 -0.62 0.00 0.00 0.00 174.94 175.03 1uck s ASP 93 N 0.87 5.67 0.00 3.58 -1.08 0.05 -4.61 116.67 121.15 1uck s ASP 93 Ca 0.43 -1.35 0.26 0.00 -0.52 0.00 0.00 52.55 51.38 1uck s ASP 93 Cb -0.19 -2.00 1.44 0.00 -1.46 0.00 0.00 42.92 40.70 1uck s ASP 93 CO 0.22 -0.49 1.90 0.00 0.52 0.00 0.00 175.17 177.32 1uck n GLN 94 N 4.95 0.58 0.00 4.34 6.02 -1.26 -1.32 117.38 130.69 1uck n GLN 94 Ca -0.11 0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.04 1uck n GLN 94 Cb 0.44 -1.50 0.50 0.00 1.02 0.00 0.00 30.24 30.70 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 -1.15 0.00 -1.19 5.09 -2.24 -1.26 -4.89 114.28 108.64 1uck n THR 95 Ca 0.16 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1uck n THR 95 Cb 0.15 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1uck n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50