#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uci s THR 2 N 0.00 4.87 -0.67 5.18 -4.23 -1.26 -4.65 115.64 114.88 1uci s THR 2 Ca 0.00 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1uci s THR 2 Cb 0.00 -3.79 0.44 0.00 1.34 0.00 0.00 72.50 70.48 1uci s THR 2 CO 0.00 -0.65 1.98 -1.20 -0.54 0.00 0.00 174.62 174.21 1uci n SER 3 N -1.71 7.51 0.00 3.99 7.64 0.31 -4.97 113.62 126.39 1uci n SER 3 Ca 0.01 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1uci n SER 3 Cb 0.54 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1uci n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uci n GLY 4 N -0.85 -1.50 3.36 0.23 0.00 -1.26 -4.78 105.19 100.39 1uci n GLY 4 Ca 0.60 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 1uci n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uci s THR 5 N 0.00 1.92 -0.06 2.61 2.01 -1.26 -0.85 115.64 120.00 1uci s THR 5 Ca 0.00 -2.14 -0.06 0.00 0.31 0.00 0.00 61.69 59.80 1uci s THR 5 Cb 0.00 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.51 1uci s THR 5 CO 0.00 -0.45 0.17 0.54 -0.69 0.00 0.00 174.62 174.20 1uci s VAL 6 N -2.52 0.01 0.42 3.82 0.11 0.66 -4.85 120.40 118.04 1uci s VAL 6 Ca 0.21 -0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.97 1uci s VAL 6 Cb -0.03 -0.27 -0.08 0.00 -1.53 0.00 0.00 36.38 34.47 1uci s VAL 6 CO 0.08 -0.03 1.17 0.00 -3.33 0.00 0.00 175.10 172.99 1uci h LEU 8 N 2.40 1.07 -1.11 0.00 5.85 -0.74 -0.88 115.31 121.89 1uci h LEU 8 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1uci h LEU 8 Cb 1.24 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1uci h LEU 8 CO 0.62 0.72 0.00 -1.54 -0.34 0.00 0.00 178.44 177.90 1uci n SER 9 N -4.45 0.62 -0.18 1.25 3.41 -0.92 -1.72 113.62 111.63 1uci n SER 9 Ca 0.14 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.59 1uci n SER 9 Cb 0.12 -0.83 0.23 0.00 -0.26 0.00 0.00 64.21 63.47 1uci n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uci n ALA 10 N -1.78 3.48 -2.28 7.33 0.00 -0.34 -4.92 120.51 122.00 1uci n ALA 10 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 1uci n ALA 10 Cb 0.12 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.54 1uci n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1uci s LEU 11 N -2.71 3.69 0.59 0.00 1.43 -0.70 -5.01 118.68 115.98 1uci s LEU 11 Ca 0.18 0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.10 1uci s LEU 11 Cb 0.18 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1uci s LEU 11 CO 0.62 -0.70 1.20 -2.65 0.23 0.00 0.00 176.35 175.05 1uci n PRO 12 N -1.96 1.23 0.01 1.29 -0.02 -1.26 -4.85 135.00 129.44 1uci n PRO 12 Ca 0.03 0.47 0.21 0.00 -2.02 0.00 0.00 63.50 62.18 1uci n PRO 12 Cb 0.58 -2.41 0.71 0.00 -0.02 0.00 0.00 33.50 32.37 1uci n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1uci h PRO 13 N 0.83 0.00 0.00 0.52 0.13 -1.95 0.13 132.00 131.67 1uci h PRO 13 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1uci h PRO 13 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1uci h PRO 13 CO 0.54 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.18 1uci h GLU 14 N 0.00 0.00 -0.51 0.86 3.07 -1.88 -1.38 114.58 114.74 1uci h GLU 14 Ca 0.25 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.04 1uci h GLU 14 Cb 1.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1uci h GLU 14 CO -0.00 0.05 0.03 0.00 -1.40 0.00 0.00 179.01 177.69 1uci h ALA 15 N 1.95 1.10 -0.55 3.43 0.00 -1.29 -0.80 119.26 123.09 1uci h ALA 15 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1uci h ALA 15 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1uci h ALA 15 CO 0.01 0.58 -0.09 1.15 0.00 0.00 0.00 179.25 180.89 1uci h THR 16 N 0.78 1.27 -0.27 0.00 2.02 -1.37 -2.13 112.91 113.21 1uci h THR 16 Ca 0.15 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1uci h THR 16 Cb 0.43 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1uci h THR 16 CO 0.02 0.44 0.17 0.44 0.37 0.00 0.00 175.52 176.96 1uci h ASP 17 N 0.92 0.31 -0.55 4.18 3.32 -1.08 -1.49 116.42 122.03 1uci h ASP 17 Ca 0.15 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1uci h ASP 17 Cb 0.66 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1uci h ASP 17 CO 0.05 0.25 0.33 0.74 -1.72 0.00 0.00 179.24 178.89 1uci h THR 18 N 0.35 1.06 -0.39 0.35 2.02 -1.02 -1.57 112.91 113.70 1uci h THR 18 Ca 0.10 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1uci h THR 18 Cb -0.01 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1uci h THR 18 CO -0.02 0.12 0.05 -0.07 0.37 0.00 0.00 175.52 175.97 1uci h LEU 19 N 0.66 0.56 -0.84 2.58 3.38 -1.12 -0.75 115.31 119.77 1uci h LEU 19 Ca 0.22 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1uci h LEU 19 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1uci h LEU 19 CO -0.10 0.59 -0.17 0.78 0.09 0.00 0.00 178.44 179.63 1uci h ASN 20 N 0.58 0.67 0.09 -0.43 2.35 -0.56 -0.93 115.58 117.34 1uci h ASN 20 Ca 0.13 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.51 1uci h ASN 20 Cb 0.29 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1uci h ASN 20 CO 0.00 0.86 -0.53 -0.07 -1.65 0.00 0.00 177.43 176.04 1uci h LEU 21 N 0.60 0.53 -0.82 1.61 3.38 -0.73 -2.74 115.31 117.15 1uci h LEU 21 Ca 0.10 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1uci h LEU 21 Cb 0.64 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1uci h LEU 21 CO 0.04 0.96 -0.08 0.40 0.09 0.00 0.00 178.44 179.86 1uci h ILE 22 N 0.38 1.25 -0.01 1.22 2.04 -0.80 0.45 117.51 122.04 1uci h ILE 22 Ca 0.01 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 1uci h ILE 22 Cb 1.05 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1uci h ILE 22 CO 0.10 0.39 -0.19 0.00 0.00 0.00 0.00 178.15 178.45 1uci h ALA 23 N 1.18 1.67 -0.60 1.87 0.00 -0.94 -1.79 119.26 120.65 1uci h ALA 23 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uci h ALA 23 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1uci h ALA 23 CO 0.03 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 1uci n SER 24 N -4.31 3.76 -3.72 0.00 3.41 -0.97 -4.95 113.62 106.84 1uci n SER 24 Ca -0.02 -1.99 -0.26 0.00 -0.26 0.00 0.00 58.87 56.33 1uci n SER 24 Cb 0.25 -0.40 0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1uci n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uci n ASP 25 N 1.57 -5.05 0.00 4.04 -0.08 -0.45 -4.70 116.55 111.87 1uci n ASP 25 Ca 0.22 -0.66 0.00 0.00 -1.51 0.00 0.00 54.79 52.84 1uci n ASP 25 Cb 0.61 -4.51 0.00 0.00 2.34 0.00 0.00 41.12 39.56 1uci n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uci n GLY 26 N -1.79 -1.82 3.74 0.27 0.00 0.14 -4.88 105.19 100.86 1uci n GLY 26 Ca -0.02 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1uci n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uci s PRO 27 N 0.00 2.01 0.15 1.61 0.04 -1.26 -4.97 135.00 132.58 1uci s PRO 27 Ca 0.00 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1uci s PRO 27 Cb 0.00 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1uci s PRO 27 CO 0.00 -1.87 -0.03 -0.06 0.04 0.00 0.00 177.00 175.08 1uci s PHE 28 N -2.59 2.82 0.30 0.56 0.08 -1.26 -4.98 117.98 112.91 1uci s PHE 28 Ca 0.66 -0.14 0.11 0.00 0.12 0.00 0.00 56.93 57.68 1uci s PHE 28 Cb -0.21 -1.40 0.44 0.00 -0.57 0.00 0.00 43.02 41.28 1uci s PHE 28 CO 0.52 0.50 1.66 -1.00 -0.10 0.00 0.00 175.22 176.80 1uci h PRO 29 N 2.99 0.01 -6.49 0.24 0.13 -1.97 -3.45 132.00 123.45 1uci h PRO 29 Ca -0.47 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1uci h PRO 29 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1uci h PRO 29 CO 0.57 0.56 -0.76 0.71 -0.23 0.00 0.00 178.00 178.86 1uci s TYR 30 N -3.76 2.71 0.39 1.56 2.02 -1.26 -5.02 117.35 113.99 1uci s TYR 30 Ca -0.02 -0.16 0.20 0.00 -0.37 0.00 0.00 57.07 56.72 1uci s TYR 30 Cb 0.13 -1.49 1.11 0.00 -0.40 0.00 0.00 41.96 41.31 1uci s TYR 30 CO 0.75 0.35 1.97 0.66 -1.57 0.00 0.00 175.55 177.71 1uci h SER 31 N 4.22 0.00 1.08 2.29 4.64 -2.04 -2.22 113.55 121.52 1uci h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1uci h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1uci h SER 31 CO 0.51 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.68 1uci n GLN 32 N -3.91 0.20 -2.05 4.77 3.00 -1.26 -4.79 117.38 113.33 1uci n GLN 32 Ca -0.02 0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.83 1uci n GLN 32 Cb 0.30 -1.78 -0.03 0.00 0.00 0.00 0.00 30.24 28.73 1uci n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1uci s ASP 33 N -4.18 6.70 0.00 1.08 1.01 -0.84 -2.56 116.67 117.88 1uci s ASP 33 Ca 0.08 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.53 1uci s ASP 33 Cb 0.12 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1uci s ASP 33 CO 0.49 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.58 1uci n GLY 34 N 4.05 0.37 3.79 0.21 0.00 -0.09 -4.97 105.19 108.55 1uci n GLY 34 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1uci n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uci s VAL 35 N -2.00 3.67 0.32 1.61 -7.23 -1.06 -4.73 120.40 110.98 1uci s VAL 35 Ca 0.00 0.67 -0.29 0.00 -1.81 0.00 0.00 61.98 60.55 1uci s VAL 35 Cb 0.00 -3.24 -0.10 0.00 0.56 0.00 0.00 36.38 33.59 1uci s VAL 35 CO 0.00 -0.58 1.37 -0.69 -0.31 0.00 0.00 175.10 174.89 1uci s VAL 36 N -2.67 2.58 -0.31 1.32 1.01 -1.26 -1.51 120.40 119.56 1uci s VAL 36 Ca 0.62 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 1uci s VAL 36 Cb -0.17 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1uci s VAL 36 CO 0.46 0.12 0.18 0.12 0.00 0.00 0.00 175.10 175.98 1uci s PHE 37 N -0.87 3.19 -0.23 5.22 5.36 0.15 -4.72 117.98 126.08 1uci s PHE 37 Ca 0.52 -0.29 0.28 0.00 -0.96 0.00 0.00 56.93 56.48 1uci s PHE 37 Cb -0.41 -2.39 1.00 0.00 -0.34 0.00 0.00 43.02 40.88 1uci s PHE 37 CO 0.53 -0.35 1.82 1.96 -1.46 0.00 0.00 175.22 177.72 1uci h GLN 38 N 8.39 0.00 -6.18 10.12 4.20 -1.94 -3.39 115.11 126.31 1uci h GLN 38 Ca -0.33 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.93 1uci h GLN 38 Cb 1.16 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.95 1uci h GLN 38 CO 0.60 0.00 -0.76 -1.71 -0.67 0.00 0.00 178.83 176.29 1uci n ASN 39 N -2.83 -4.33 -0.23 1.46 5.15 -1.26 -4.84 115.26 108.38 1uci n ASN 39 Ca 0.02 -0.75 0.18 0.00 -0.60 0.00 0.00 54.58 53.43 1uci n ASN 39 Cb 0.35 -4.12 0.50 0.00 -0.53 0.00 0.00 39.78 35.98 1uci n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1uci h ARG 40 N -2.15 0.42 -0.30 1.20 9.65 -2.00 -0.85 114.38 120.36 1uci h ARG 40 Ca -0.58 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1uci h ARG 40 Cb 1.37 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 1uci h ARG 40 CO 0.63 0.28 0.00 0.39 2.80 0.00 0.00 179.97 184.07 1uci n GLU 41 N -4.51 1.96 -2.68 0.20 4.71 -1.26 -4.95 120.64 114.12 1uci n GLU 41 Ca 0.18 -1.47 -0.19 0.00 -0.01 0.00 0.00 57.16 55.68 1uci n GLU 41 Cb 0.64 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.68 1uci n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1uci n SER 42 N 0.68 -5.07 -0.00 1.62 7.64 -0.32 -4.87 113.62 113.30 1uci n SER 42 Ca 0.16 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 1uci n SER 42 Cb 0.39 -4.21 0.01 0.00 -1.01 0.00 0.00 64.21 59.40 1uci n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1uci h VAL 43 N -0.44 1.32 -2.74 0.44 2.07 -1.92 -3.38 116.25 111.59 1uci h VAL 43 Ca -0.43 -1.89 -0.46 0.00 0.82 0.00 0.00 66.70 64.74 1uci h VAL 43 Cb 1.31 1.86 0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1uci h VAL 43 CO 0.50 0.59 -0.08 -0.76 0.02 0.00 0.00 177.57 177.84 1uci s LEU 44 N -8.32 3.59 0.45 2.57 1.43 -1.26 0.23 118.68 117.36 1uci s LEU 44 Ca -0.08 0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.05 1uci s LEU 44 Cb 0.10 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 43.09 1uci s LEU 44 CO 0.86 -0.77 1.11 -2.65 0.23 0.00 0.00 176.35 175.14 1uci n PRO 45 N -2.13 1.52 -2.02 1.29 -0.02 -1.26 -4.88 135.00 127.50 1uci n PRO 45 Ca 0.02 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1uci n PRO 45 Cb 0.58 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1uci n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uci s THR 46 N -1.27 3.04 0.12 3.45 2.01 -1.26 -5.00 115.64 116.73 1uci s THR 46 Ca 0.64 0.65 -0.09 0.00 0.31 0.00 0.00 61.69 63.21 1uci s THR 46 Cb -0.52 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 1uci s THR 46 CO 0.56 0.03 0.23 -1.10 -0.69 0.00 0.00 174.62 173.64 1uci s GLN 47 N 1.75 0.97 0.80 4.92 -1.52 -1.26 -5.16 119.66 120.15 1uci s GLN 47 Ca 0.69 -1.05 -0.11 0.00 -1.95 0.00 0.00 55.36 52.94 1uci s GLN 47 Cb -0.39 0.36 0.07 0.00 -0.22 0.00 0.00 33.01 32.82 1uci s GLN 47 CO 0.31 -0.33 1.09 -1.54 -0.25 0.00 0.00 175.29 174.56 1uci s SER 48 N -2.90 4.40 0.16 5.90 1.04 -1.26 -4.91 113.70 116.12 1uci s SER 48 Ca 0.10 1.51 -0.34 0.00 0.48 0.00 0.00 55.95 57.70 1uci s SER 48 Cb 0.04 -2.25 -0.14 0.00 0.10 0.00 0.00 66.02 63.77 1uci s SER 48 CO -0.07 -2.06 1.55 0.00 0.98 0.00 0.00 173.24 173.65 1uci n TYR 49 N -3.51 2.21 0.00 5.02 9.36 -1.26 -2.13 117.16 126.84 1uci n TYR 49 Ca 0.07 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.60 1uci n TYR 49 Cb 0.55 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 1uci n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1uci n GLY 50 N 3.28 1.00 0.25 2.98 0.00 -1.26 -4.93 105.19 106.51 1uci n GLY 50 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1uci n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1uci h TYR 51 N 0.00 0.52 -3.55 1.61 5.03 -1.76 -3.44 116.97 115.39 1uci h TYR 51 Ca 0.00 -0.08 -0.67 0.00 2.58 0.00 0.00 58.73 60.56 1uci h TYR 51 Cb 0.00 -0.14 -0.16 0.00 1.55 0.00 0.00 36.73 37.98 1uci h TYR 51 CO 0.00 0.61 -0.70 0.71 -1.32 0.00 0.00 178.16 177.46 1uci s TYR 52 N -4.69 2.87 0.04 -3.82 2.02 -1.26 -1.58 117.35 110.93 1uci s TYR 52 Ca -0.07 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1uci s TYR 52 Cb 0.14 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1uci s TYR 52 CO 0.78 0.40 -0.06 -1.01 -1.57 0.00 0.00 175.55 174.09 1uci s HIS 53 N -1.10 0.58 0.08 2.71 3.76 -0.87 -0.68 115.29 119.77 1uci s HIS 53 Ca 0.20 -0.58 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1uci s HIS 53 Cb -0.11 -0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 1uci s HIS 53 CO 0.11 -0.13 -0.20 -1.83 -0.85 0.00 0.00 174.74 171.84 1uci s GLU 54 N -1.93 1.85 0.00 1.40 -1.05 -0.57 -0.43 118.70 117.98 1uci s GLU 54 Ca -0.08 -1.12 0.01 0.00 -0.15 0.00 0.00 54.97 53.63 1uci s GLU 54 Cb -0.07 -2.11 -0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1uci s GLU 54 CO -0.01 0.50 -0.02 0.71 0.95 0.00 0.00 175.26 177.39 1uci s TYR 55 N -1.02 0.21 0.29 4.83 1.51 -0.10 -0.91 117.35 122.15 1uci s TYR 55 Ca 0.16 -0.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 1uci s TYR 55 Cb -0.10 -0.14 -0.10 0.00 -0.11 0.00 0.00 41.96 41.51 1uci s TYR 55 CO 0.07 -0.02 1.14 0.99 -1.11 0.00 0.00 175.55 176.62 1uci s THR 56 N -0.25 3.34 -0.36 -0.71 2.01 -1.26 -0.97 115.64 117.43 1uci s THR 56 Ca -0.01 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.31 1uci s THR 56 Cb -0.02 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.71 1uci s THR 56 CO -0.00 0.32 0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 1uci s VAL 57 N -1.14 3.24 0.24 3.82 1.01 -0.63 -4.80 120.40 122.12 1uci s VAL 57 Ca 0.45 -1.70 -0.31 0.00 0.00 0.00 0.00 61.98 60.42 1uci s VAL 57 Cb -0.33 -3.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 1uci s VAL 57 CO 0.43 -0.42 1.52 -0.38 0.00 0.00 0.00 175.10 176.26 1uci n ILE 58 N 4.63 0.69 -3.66 2.22 5.41 -1.26 -4.37 119.36 123.02 1uci n ILE 58 Ca -0.07 -0.17 -0.37 0.00 1.00 0.00 0.00 62.75 63.13 1uci n ILE 58 Cb 0.42 -1.67 -0.12 0.00 -0.71 0.00 0.00 39.64 37.57 1uci n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1uci s THR 59 N 0.27 4.92 0.13 1.39 2.01 -1.26 -4.80 115.64 118.30 1uci s THR 59 Ca 0.70 0.04 -0.35 0.00 0.31 0.00 0.00 61.69 62.39 1uci s THR 59 Cb -0.60 -3.33 -0.16 0.00 0.01 0.00 0.00 72.50 68.42 1uci s THR 59 CO 0.45 0.29 1.26 -2.65 -0.69 0.00 0.00 174.62 173.28 1uci n PRO 60 N 4.98 1.17 0.00 4.92 -0.02 -1.26 -1.67 135.00 143.13 1uci n PRO 60 Ca -0.15 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1uci n PRO 60 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1uci n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uci n GLY 61 N 2.30 2.72 3.76 -1.23 0.00 -1.26 -5.01 105.19 106.46 1uci n GLY 61 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1uci n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uci s ALA 62 N -2.69 3.44 -0.28 4.61 0.00 -0.67 -4.93 121.76 121.25 1uci s ALA 62 Ca 0.00 1.02 0.22 0.00 0.00 0.00 0.00 51.96 53.20 1uci s ALA 62 Cb 0.00 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.81 1uci s ALA 62 CO 0.00 -0.35 1.20 0.00 0.00 0.00 0.00 175.76 176.62 1uci h ARG 63 N 3.92 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 115.96 1uci h ARG 63 Ca -0.47 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.27 1uci h ARG 63 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1uci h ARG 63 CO 0.68 0.06 -0.17 0.25 -1.07 0.00 0.00 179.97 179.72 1uci n THR 64 N -2.85 0.00 0.66 2.04 -2.24 -1.26 -5.00 114.28 105.63 1uci n THR 64 Ca 0.00 -1.18 0.08 0.00 -2.27 0.00 0.00 64.05 60.68 1uci n THR 64 Cb 0.58 -0.14 0.38 0.00 -2.10 0.00 0.00 70.33 69.05 1uci n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1uci n ARG 65 N -1.07 0.11 0.00 -0.78 1.74 -1.26 -4.86 116.66 110.54 1uci n ARG 65 Ca -0.03 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1uci n ARG 65 Cb 0.33 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1uci n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uci n GLY 66 N 0.13 0.05 0.28 -0.13 0.00 -1.26 -4.34 105.19 99.92 1uci n GLY 66 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 46.02 45.14 1uci n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uci n THR 67 N 0.00 0.16 -3.82 2.61 -2.24 -1.26 -4.93 114.28 104.81 1uci n THR 67 Ca 0.00 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 60.84 1uci n THR 67 Cb 0.00 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.19 1uci n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uci s ARG 68 N -0.62 3.86 0.16 -0.78 0.52 -1.26 -0.95 118.95 119.88 1uci s ARG 68 Ca 0.09 -0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 54.99 1uci s ARG 68 Cb 0.06 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1uci s ARG 68 CO 0.08 0.49 0.33 1.03 0.02 0.00 0.00 175.30 177.25 1uci s ARG 69 N -0.20 1.15 -0.10 3.54 1.81 -0.34 -1.61 118.95 123.19 1uci s ARG 69 Ca 0.11 -1.05 0.02 0.00 -1.72 0.00 0.00 55.73 53.09 1uci s ARG 69 Cb -0.11 0.41 0.01 0.00 -0.45 0.00 0.00 34.95 34.81 1uci s ARG 69 CO 0.01 -0.43 -0.15 0.42 -0.68 0.00 0.00 175.30 174.46 1uci s ILE 70 N -3.92 1.46 -0.22 1.52 1.01 -0.15 -1.78 121.20 119.12 1uci s ILE 70 Ca 0.13 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 1uci s ILE 70 Cb 0.03 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1uci s ILE 70 CO -0.03 0.43 0.04 -0.63 0.00 0.00 0.00 174.94 174.75 1uci s ILE 71 N 0.94 4.20 0.12 2.92 -1.09 0.13 -0.92 121.20 127.50 1uci s ILE 71 Ca -0.08 -0.22 -0.15 0.00 -2.23 0.00 0.00 60.65 57.97 1uci s ILE 71 Cb -0.15 -2.93 -0.07 0.00 -1.58 0.00 0.00 42.46 37.73 1uci s ILE 71 CO -0.01 0.38 0.54 0.42 -1.23 0.00 0.00 174.94 175.05 1uci s THR 72 N 1.28 4.85 0.07 2.92 -4.23 0.43 -0.05 115.64 120.90 1uci s THR 72 Ca 0.04 0.91 0.05 0.00 -1.18 0.00 0.00 61.69 61.51 1uci s THR 72 Cb -0.15 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1uci s THR 72 CO 0.02 0.34 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.56 1uci s GLY 73 N -1.54 1.84 0.40 3.99 0.00 -0.34 -2.06 107.32 109.61 1uci s GLY 73 Ca 0.35 -1.13 0.29 0.00 0.00 0.00 0.00 44.72 44.22 1uci s GLY 73 CO 0.19 -1.08 1.86 0.83 0.00 0.00 0.00 173.10 174.90 1uci h GLU 74 N 3.79 0.00 -7.25 2.90 4.39 -1.58 -3.41 114.58 113.42 1uci h GLU 74 Ca -0.48 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.71 1uci h GLU 74 Cb 1.17 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.91 1uci h GLU 74 CO 0.56 0.00 0.36 0.00 -1.16 0.00 0.00 179.01 178.77 1uci s ALA 75 N -3.58 2.53 0.17 3.43 0.00 -1.26 -4.94 121.76 118.11 1uci s ALA 75 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 51.96 52.00 1uci s ALA 75 Cb 0.09 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 1uci s ALA 75 CO 0.38 -1.26 1.69 2.41 0.00 0.00 0.00 175.76 178.98 1uci n THR 76 N -2.69 0.06 -2.47 0.00 -1.04 -1.26 -2.49 114.28 104.40 1uci n THR 76 Ca 0.09 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.91 1uci n THR 76 Cb 0.53 -1.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.19 1uci n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uci n GLN 77 N 4.07 -2.08 -3.59 -2.82 1.13 -1.26 -4.95 117.38 107.88 1uci n GLN 77 Ca 0.17 0.85 -0.41 0.00 -1.94 0.00 0.00 57.00 55.67 1uci n GLN 77 Cb 0.33 -5.50 -0.11 0.00 0.11 0.00 0.00 30.24 25.07 1uci n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1uci s GLU 78 N -5.10 2.81 -0.05 -1.09 2.12 -1.04 -4.93 118.70 111.42 1uci s GLU 78 Ca 0.02 -1.12 -0.05 0.00 0.36 0.00 0.00 54.97 54.18 1uci s GLU 78 Cb -0.01 -3.76 0.01 0.00 0.26 0.00 0.00 34.13 30.64 1uci s GLU 78 CO 0.03 -0.73 0.14 -0.51 -0.54 0.00 0.00 175.26 173.65 1uci s ASP 79 N 1.61 -0.14 -0.03 -1.70 1.01 -1.26 -1.20 116.67 114.97 1uci s ASP 79 Ca 0.02 0.25 0.08 0.00 0.71 0.00 0.00 52.55 53.61 1uci s ASP 79 Cb -0.20 0.29 -0.02 0.00 1.01 0.00 0.00 42.92 44.00 1uci s ASP 79 CO 0.06 -0.07 -0.26 -0.31 0.21 0.00 0.00 175.17 174.81 1uci s TYR 80 N -0.02 2.34 -0.09 4.23 2.02 0.93 -0.37 117.35 126.38 1uci s TYR 80 Ca -0.01 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1uci s TYR 80 Cb -0.01 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 1uci s TYR 80 CO 0.00 -0.08 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.34 1uci s TYR 81 N -0.51 2.86 -0.04 2.71 5.04 0.16 0.20 117.35 127.77 1uci s TYR 81 Ca 0.07 -0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 1uci s TYR 81 Cb -0.11 -1.75 0.01 0.00 0.35 0.00 0.00 41.96 40.46 1uci s TYR 81 CO -0.00 0.13 -0.10 -0.08 -1.34 0.00 0.00 175.55 174.16 1uci s THR 82 N -0.38 0.87 -0.39 4.34 -1.32 -0.74 -1.33 115.64 116.70 1uci s THR 82 Ca 0.05 -0.37 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1uci s THR 82 Cb -0.12 -0.79 0.07 0.00 -1.51 0.00 0.00 72.50 70.14 1uci s THR 82 CO 0.02 0.28 0.86 0.61 -2.21 0.00 0.00 174.62 174.18 1uci n GLY 83 N 3.52 0.94 2.24 6.08 0.00 -1.26 -1.20 105.19 115.51 1uci n GLY 83 Ca -0.20 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1uci n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uci n ASP 84 N 0.02 4.13 -3.58 1.61 5.68 -1.22 -4.54 116.55 118.65 1uci n ASP 84 Ca 0.03 -3.36 -0.23 0.00 -0.50 0.00 0.00 54.79 50.73 1uci n ASP 84 Cb 0.20 -0.38 0.05 0.00 -1.14 0.00 0.00 41.12 39.85 1uci n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1uci n HIS 85 N -0.65 -2.05 -0.94 2.11 -0.00 -0.13 -2.74 115.22 110.81 1uci n HIS 85 Ca 0.35 0.73 0.00 0.00 -0.00 0.00 0.00 57.72 58.80 1uci n HIS 85 Cb 0.91 -4.08 0.00 0.00 -0.00 0.00 0.00 29.99 26.82 1uci n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1uci n TYR 86 N -3.99 0.00 -0.02 1.57 4.01 -1.26 -4.92 117.16 112.55 1uci n TYR 86 Ca -0.19 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.42 1uci n TYR 86 Cb 0.64 -0.64 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1uci n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uci h ALA 87 N 0.00 -0.01 -2.74 -0.72 0.00 -1.92 -3.46 119.26 110.40 1uci h ALA 87 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 54.91 54.29 1uci h ALA 87 Cb 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.85 1uci h ALA 87 CO 0.00 -0.23 -0.74 0.95 0.00 0.00 0.00 179.25 179.23 1uci s THR 88 N -4.01 1.06 0.04 0.00 -4.23 -1.26 -5.06 115.64 102.18 1uci s THR 88 Ca -0.16 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1uci s THR 88 Cb 0.01 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 1uci s THR 88 CO 0.67 -0.53 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.78 1uci s PHE 89 N -2.41 0.65 -0.02 3.99 0.08 -1.26 -4.36 117.98 114.64 1uci s PHE 89 Ca 0.07 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 56.62 1uci s PHE 89 Cb -0.03 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 42.03 1uci s PHE 89 CO 0.01 -0.10 -0.08 -1.12 -0.10 0.00 0.00 175.22 173.83 1uci s SER 90 N -1.64 1.06 0.16 1.36 0.01 -0.44 0.11 113.70 114.32 1uci s SER 90 Ca -0.09 -0.16 -0.31 0.00 1.31 0.00 0.00 55.95 56.70 1uci s SER 90 Cb -0.09 -0.24 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 1uci s SER 90 CO 0.00 0.06 1.38 -0.76 0.41 0.00 0.00 173.24 174.33 1uci s LEU 91 N 0.12 4.39 -0.11 2.44 1.43 -0.03 -0.66 118.68 126.26 1uci s LEU 91 Ca -0.02 2.40 -0.20 0.00 -1.03 0.00 0.00 54.13 55.28 1uci s LEU 91 Cb -0.07 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1uci s LEU 91 CO 0.00 -0.62 0.56 -0.63 0.23 0.00 0.00 176.35 175.89 1uci s ILE 92 N 0.65 5.13 -0.43 -0.59 1.01 0.50 -0.25 121.20 127.23 1uci s ILE 92 Ca 0.62 1.13 -0.10 0.00 0.00 0.00 0.00 60.65 62.29 1uci s ILE 92 Cb -0.38 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.27 1uci s ILE 92 CO 0.34 0.28 0.28 -0.62 0.00 0.00 0.00 174.94 175.22 1uci s ASP 93 N 0.74 5.73 0.00 3.58 -1.08 0.23 -4.60 116.67 121.27 1uci s ASP 93 Ca 0.30 -1.45 0.25 0.00 -0.52 0.00 0.00 52.55 51.13 1uci s ASP 93 Cb -0.16 -2.02 1.37 0.00 -1.46 0.00 0.00 42.92 40.65 1uci s ASP 93 CO 0.13 -0.55 1.85 0.00 0.52 0.00 0.00 175.17 177.12 1uci n GLN 94 N 4.97 0.55 0.00 4.34 6.02 -1.26 -1.14 117.38 130.86 1uci n GLN 94 Ca -0.10 0.03 0.14 0.00 -0.01 0.00 0.00 57.00 57.05 1uci n GLN 94 Cb 0.43 -1.50 0.49 0.00 1.02 0.00 0.00 30.24 30.68 1uci n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1uci n THR 95 N -1.16 0.00 -1.19 5.09 -2.24 -1.26 -4.88 114.28 108.64 1uci n THR 95 Ca 0.15 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1uci n THR 95 Cb 0.15 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1uci n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50