#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1icc h PRO 2 N 0.00 0.41 -3.15 -0.24 0.13 -2.09 -3.45 132.00 123.61 1icc h PRO 2 Ca 0.00 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 1icc h PRO 2 Cb 0.00 -0.05 -0.13 0.00 0.13 0.00 0.00 31.00 30.94 1icc h PRO 2 CO 0.00 0.53 0.02 0.00 -0.23 0.00 0.00 178.00 178.32 1icc s ALA 3 N -4.76 -1.19 0.47 -0.56 0.00 -1.26 -5.17 121.76 109.30 1icc s ALA 3 Ca -0.07 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 1icc s ALA 3 Cb 0.15 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.84 1icc s ALA 3 CO 0.76 -0.64 0.97 0.08 0.00 0.00 0.00 175.76 176.93 1icc s VAL 4 N -3.46 4.47 -0.27 0.00 1.01 -1.26 -5.05 120.40 115.83 1icc s VAL 4 Ca 0.00 1.34 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1icc s VAL 4 Cb 0.01 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1icc s VAL 4 CO -0.10 -0.52 0.01 -0.89 0.00 0.00 0.00 175.10 173.60 1icc s THR 5 N -2.42 3.36 -0.01 3.92 2.01 -1.26 -5.05 115.64 116.20 1icc s THR 5 Ca 0.60 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1icc s THR 5 Cb -0.09 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1icc s THR 5 CO 0.23 0.12 0.16 -0.31 -0.69 0.00 0.00 174.62 174.13 1icc s TYR 6 N 1.40 3.50 -0.05 4.92 2.02 -1.26 -0.32 117.35 127.56 1icc s TYR 6 Ca 0.01 0.33 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 1icc s TYR 6 Cb -0.17 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1icc s TYR 6 CO -0.01 0.63 -0.09 0.71 -1.57 0.00 0.00 175.55 175.22 1icc s TYR 7 N -1.30 1.16 0.39 2.71 2.02 0.15 -4.87 117.35 117.60 1icc s TYR 7 Ca 0.27 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.43 1icc s TYR 7 Cb -0.13 -0.88 -0.08 0.00 -0.40 0.00 0.00 41.96 40.47 1icc s TYR 7 CO 0.18 -0.22 0.82 1.03 -1.57 0.00 0.00 175.55 175.78 1icc s ARG 8 N 0.67 3.97 0.45 -0.62 0.52 -1.26 -0.54 118.95 122.14 1icc s ARG 8 Ca -0.12 0.73 0.13 0.00 -0.52 0.00 0.00 55.73 55.95 1icc s ARG 8 Cb -0.14 -2.34 1.05 0.00 0.52 0.00 0.00 34.95 34.04 1icc s ARG 8 CO 0.02 0.01 2.03 -0.07 0.02 0.00 0.00 175.30 177.32 1icc h LEU 9 N 1.75 0.30 -1.30 2.53 3.38 -1.94 -0.16 115.31 119.87 1icc h LEU 9 Ca -0.48 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1icc h LEU 9 Cb 1.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1icc h LEU 9 CO 0.64 0.20 0.13 -0.08 0.09 0.00 0.00 178.44 179.42 1icc h GLU 10 N 0.35 0.62 -0.30 1.13 4.81 -1.97 0.89 114.58 120.11 1icc h GLU 10 Ca 0.19 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 1icc h GLU 10 Cb 0.30 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1icc h GLU 10 CO -0.04 0.54 -0.44 0.93 -0.73 0.00 0.00 179.01 179.27 1icc h GLU 11 N 0.61 0.76 -0.55 1.92 4.39 -1.42 -2.95 114.58 117.35 1icc h GLU 11 Ca 0.14 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 1icc h GLU 11 Cb 0.18 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1icc h GLU 11 CO -0.01 1.05 -0.05 0.28 -1.16 0.00 0.00 179.01 179.12 1icc h VAL 12 N 0.62 1.27 0.00 3.13 2.07 -0.98 -2.99 116.25 119.36 1icc h VAL 12 Ca 0.04 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1icc h VAL 12 Cb 1.00 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1icc h VAL 12 CO 0.10 0.42 -0.02 0.00 0.02 0.00 0.00 177.57 178.09 1icc h ALA 13 N 0.94 1.15 -0.01 1.67 0.00 -0.67 -0.79 119.26 121.56 1icc h ALA 13 Ca 0.15 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1icc h ALA 13 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1icc h ALA 13 CO 0.04 0.02 -0.80 0.87 0.00 0.00 0.00 179.25 179.38 1icc h LYS 14 N 0.00 0.15 -4.61 0.00 1.57 -1.41 -3.38 116.57 108.87 1icc h LYS 14 Ca -0.00 -0.15 -0.71 0.00 -1.87 0.00 0.00 60.65 57.92 1icc h LYS 14 Cb 0.10 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 1icc h LYS 14 CO 0.00 0.87 2.46 0.54 -0.57 0.00 0.00 179.45 182.75 1icc n ARG 15 N -3.68 3.14 -0.48 3.15 3.00 -0.30 -4.61 116.66 116.88 1icc n ARG 15 Ca -0.03 -3.11 0.06 0.00 -0.01 0.00 0.00 57.85 54.76 1icc n ARG 15 Cb 0.76 -3.27 0.11 0.00 0.00 0.00 0.00 32.46 30.05 1icc n ARG 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1icc n ASN 16 N 6.45 1.48 -4.37 0.55 6.94 -1.16 -1.27 115.26 123.87 1icc n ASN 16 Ca 0.47 -2.88 -0.19 0.00 -0.02 0.00 0.00 54.58 51.96 1icc n ASN 16 Cb 0.41 -0.38 -0.10 0.00 -2.36 0.00 0.00 39.78 37.35 1icc n ASN 16 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1icc s THR 17 N -1.91 1.46 0.40 5.53 -4.23 -1.16 -4.85 115.64 110.89 1icc s THR 17 Ca 0.26 -2.11 0.26 0.00 -1.18 0.00 0.00 61.69 58.92 1icc s THR 17 Cb 0.25 -2.28 0.42 0.00 1.34 0.00 0.00 72.50 72.24 1icc s THR 17 CO -0.03 -0.41 1.59 0.77 -0.54 0.00 0.00 174.62 176.00 1icc h SER 18 N 2.44 0.28 -0.33 3.99 4.64 -1.97 0.20 113.55 122.79 1icc h SER 18 Ca -0.39 0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1icc h SER 18 Cb 1.22 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.50 1icc h SER 18 CO 0.65 -0.32 0.13 -0.08 -0.87 0.00 0.00 176.83 176.34 1icc h GLU 19 N 0.03 0.55 -0.95 4.77 4.81 -1.96 -3.41 114.58 118.43 1icc h GLU 19 Ca 0.85 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 60.08 1icc h GLU 19 Cb 2.48 -0.10 -0.21 0.00 0.63 0.00 0.00 28.75 31.55 1icc h GLU 19 CO -0.60 0.48 -0.29 -2.00 -0.73 0.00 0.00 179.01 175.87 1icc s GLU 20 N -5.22 0.53 -0.18 1.92 2.12 0.68 -5.01 118.70 113.55 1icc s GLU 20 Ca -0.08 0.77 -0.00 0.00 0.36 0.00 0.00 54.97 56.02 1icc s GLU 20 Cb 0.16 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.97 1icc s GLU 20 CO 0.75 -0.76 -0.15 0.99 -0.54 0.00 0.00 175.26 175.55 1icc s THR 21 N 2.86 2.53 0.22 -1.70 2.01 -1.18 -3.00 115.64 117.37 1icc s THR 21 Ca 0.16 -0.79 0.11 0.00 0.31 0.00 0.00 61.69 61.47 1icc s THR 21 Cb -0.12 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 1icc s THR 21 CO -0.23 0.51 -0.18 0.26 -0.69 0.00 0.00 174.62 174.29 1icc s TRP 22 N 1.12 2.40 -0.01 4.92 0.52 -0.40 -1.03 118.94 126.47 1icc s TRP 22 Ca 0.01 -0.31 -0.10 0.00 0.02 0.00 0.00 56.10 55.71 1icc s TRP 22 Cb -0.14 -1.14 0.01 0.00 -1.15 0.00 0.00 33.47 31.05 1icc s TRP 22 CO -0.06 0.57 0.21 -1.64 0.02 0.00 0.00 176.95 176.05 1icc s MET 23 N -2.98 0.54 -0.13 4.98 -1.94 -0.07 0.00 119.30 119.71 1icc s MET 23 Ca 0.25 -0.28 -0.06 0.00 -1.71 0.00 0.00 55.69 53.89 1icc s MET 23 Cb -0.07 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.96 1icc s MET 23 CO 0.13 -0.14 0.08 0.08 -0.01 0.00 0.00 175.02 175.16 1icc s VAL 24 N -1.28 4.96 -0.04 -6.03 1.01 -0.31 -0.79 120.40 117.92 1icc s VAL 24 Ca -0.13 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1icc s VAL 24 Cb -0.06 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1icc s VAL 24 CO 0.03 0.56 0.04 -0.63 0.00 0.00 0.00 175.10 175.10 1icc s ILE 25 N -0.54 -0.03 -1.35 2.22 1.01 -0.50 -0.40 121.20 121.61 1icc s ILE 25 Ca 0.11 0.33 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 1icc s ILE 25 Cb -0.12 -0.18 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 1icc s ILE 25 CO 0.02 0.17 0.54 1.41 0.00 0.00 0.00 174.94 177.07 1icc n HIS 26 N 4.98 -1.75 -0.89 3.97 8.25 -1.26 -2.17 115.22 126.36 1icc n HIS 26 Ca -0.10 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 1icc n HIS 26 Cb 0.50 -3.91 0.00 0.00 1.12 0.00 0.00 29.99 27.70 1icc n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1icc n GLY 27 N -1.83 0.59 3.44 -1.41 0.00 -1.26 -5.00 105.19 99.71 1icc n GLY 27 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1icc n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1icc s ARG 28 N -0.41 1.60 -0.18 1.61 0.52 -0.92 -1.59 118.95 119.58 1icc s ARG 28 Ca 0.00 -1.39 -0.08 0.00 -0.52 0.00 0.00 55.73 53.75 1icc s ARG 28 Cb 0.00 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 1icc s ARG 28 CO 0.00 0.43 0.07 0.08 0.02 0.00 0.00 175.30 175.91 1icc s VAL 29 N -1.41 4.90 -0.03 3.52 1.01 0.15 -1.41 120.40 127.13 1icc s VAL 29 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1icc s VAL 29 Cb -0.09 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1icc s VAL 29 CO 0.09 0.47 -0.19 -0.31 0.00 0.00 0.00 175.10 175.16 1icc s TYR 30 N 0.29 1.79 -0.55 5.22 1.51 0.03 -0.72 117.35 124.91 1icc s TYR 30 Ca 0.04 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.52 1icc s TYR 30 Cb -0.12 -1.17 0.11 0.00 -0.11 0.00 0.00 41.96 40.67 1icc s TYR 30 CO -0.00 -0.09 0.57 0.34 -1.11 0.00 0.00 175.55 175.25 1icc s ASP 31 N -0.26 6.19 -0.11 2.29 -1.08 -0.47 -0.89 116.67 122.34 1icc s ASP 31 Ca 0.03 -1.59 0.18 0.00 -0.52 0.00 0.00 52.55 50.65 1icc s ASP 31 Cb -0.09 -2.24 0.72 0.00 -1.46 0.00 0.00 42.92 39.84 1icc s ASP 31 CO 0.01 -0.93 1.63 0.18 0.52 0.00 0.00 175.17 176.58 1icc n LEU 32 N 5.66 4.75 -0.25 -1.34 4.77 -0.19 -4.62 117.00 125.77 1icc n LEU 32 Ca -0.12 -2.44 -0.01 0.00 -0.03 0.00 0.00 56.01 53.41 1icc n LEU 32 Cb 0.41 -0.58 0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1icc n LEU 32 CO 0.55 0.82 0.67 0.74 -1.33 0.00 0.00 177.39 178.84 1icc h THR 33 N 4.08 0.21 -0.00 -5.08 2.02 -1.85 0.74 112.91 113.02 1icc h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1icc h THR 33 Cb 1.44 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1icc h THR 33 CO 0.23 0.00 -0.03 0.54 0.37 0.00 0.00 175.52 176.63 1icc n ARG 34 N -5.47 0.16 0.05 6.66 1.74 -1.26 -3.78 116.66 114.76 1icc n ARG 34 Ca 0.08 -0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 1icc n ARG 34 Cb 0.37 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 1icc n ARG 34 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1icc n PHE 35 N -1.41 0.79 -0.26 -1.55 7.35 0.22 -4.31 117.46 118.29 1icc n PHE 35 Ca 0.09 0.24 0.06 0.00 -0.76 0.00 0.00 57.45 57.09 1icc n PHE 35 Cb 0.31 -0.94 0.18 0.00 0.35 0.00 0.00 39.48 39.38 1icc n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1icc h LEU 36 N 0.00 -0.18 -1.07 -2.13 3.38 -1.55 0.10 115.31 113.86 1icc h LEU 36 Ca -0.08 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1icc h LEU 36 Cb 1.25 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 1icc h LEU 36 CO 0.02 -0.13 0.42 0.28 0.09 0.00 0.00 178.44 179.11 1icc h SER 37 N 0.17 0.96 1.28 -0.43 0.02 -1.84 -2.98 113.55 110.73 1icc h SER 37 Ca 0.43 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1icc h SER 37 Cb 0.78 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1icc h SER 37 CO -0.61 0.77 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.18 1icc h GLU 38 N 1.08 0.00 -6.14 3.45 4.39 -1.10 -3.48 114.58 112.78 1icc h GLU 38 Ca 0.27 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.32 1icc h GLU 38 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1icc h GLU 38 CO -0.04 0.00 1.21 1.58 -1.16 0.00 0.00 179.01 180.60 1icc n HIS 39 N -2.39 2.04 -0.13 4.33 -0.00 -0.08 -4.84 115.22 114.14 1icc n HIS 39 Ca 0.04 0.14 0.14 0.00 0.46 0.00 0.00 57.72 58.49 1icc n HIS 39 Cb 0.46 -2.61 0.50 0.00 -0.12 0.00 0.00 29.99 28.23 1icc n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1icc h PRO 40 N 10.55 0.40 -0.21 1.57 0.11 -1.92 0.43 132.00 142.93 1icc h PRO 40 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1icc h PRO 40 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1icc h PRO 40 CO 0.97 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 179.44 1icc n GLY 41 N -1.52 -0.38 0.00 -0.55 0.00 -1.26 -4.99 105.19 96.49 1icc n GLY 41 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1icc n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1icc n GLY 42 N 0.33 -0.78 0.08 -0.02 0.00 0.14 -4.68 105.19 100.25 1icc n GLY 42 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 1icc n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1icc h GLU 43 N 0.00 0.05 -0.06 1.61 5.08 -1.81 -3.38 114.58 116.07 1icc h GLU 43 Ca 0.00 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1icc h GLU 43 Cb 0.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1icc h GLU 43 CO 0.00 1.04 0.06 1.05 -1.00 0.00 0.00 179.01 180.16 1icc h GLU 44 N -0.89 0.00 -0.63 2.33 4.11 -1.93 0.17 114.58 117.74 1icc h GLU 44 Ca -0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 1icc h GLU 44 Cb 1.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1icc h GLU 44 CO 0.01 0.00 0.28 0.28 0.07 0.00 0.00 179.01 179.65 1icc h VAL 45 N 0.00 1.21 0.14 -1.06 2.07 -1.84 -0.74 116.25 116.04 1icc h VAL 45 Ca 0.03 -0.62 -0.21 0.00 0.82 0.00 0.00 66.70 66.72 1icc h VAL 45 Cb 0.14 0.43 0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1icc h VAL 45 CO -0.00 0.25 -0.93 -0.07 0.02 0.00 0.00 177.57 176.85 1icc h LEU 46 N 0.89 0.48 -0.86 2.57 3.38 -1.32 -3.30 115.31 117.15 1icc h LEU 46 Ca 0.22 -0.94 0.19 0.00 0.09 0.00 0.00 57.88 57.44 1icc h LEU 46 Cb 0.12 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 40.60 1icc h LEU 46 CO -0.03 1.44 0.36 -0.09 0.09 0.00 0.00 178.44 180.22 1icc h ARG 47 N -0.34 0.41 -0.45 1.13 9.65 -0.41 0.82 114.38 125.19 1icc h ARG 47 Ca -0.17 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1icc h ARG 47 Cb 1.69 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 30.15 1icc h ARG 47 CO 0.15 0.27 0.30 1.49 2.80 0.00 0.00 179.97 184.97 1icc h GLU 48 N 0.42 0.55 -0.32 0.20 4.81 -1.22 -2.35 114.58 116.67 1icc h GLU 48 Ca 0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1icc h GLU 48 Cb 0.91 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1icc h GLU 48 CO -0.49 0.36 0.00 1.04 -0.73 0.00 0.00 179.01 179.19 1icc n GLN 49 N -4.47 2.12 -1.72 1.92 1.13 0.23 -4.95 117.38 111.63 1icc n GLN 49 Ca 0.04 -1.71 -0.42 0.00 -1.94 0.00 0.00 57.00 52.97 1icc n GLN 49 Cb 0.09 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 1icc n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1icc n ALA 50 N 0.91 1.81 -0.78 -1.58 0.00 -0.89 -0.94 120.51 119.05 1icc n ALA 50 Ca 0.17 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1icc n ALA 50 Cb 0.46 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1icc n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1icc n GLY 51 N 1.23 0.81 3.81 0.00 0.00 0.10 -4.76 105.19 106.38 1icc n GLY 51 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1icc n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1icc s ALA 52 N -3.03 4.00 -0.50 4.61 0.00 -0.11 -3.31 121.76 123.42 1icc s ALA 52 Ca 0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 51.96 50.19 1icc s ALA 52 Cb 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1icc s ALA 52 CO 0.00 -0.25 0.74 0.34 0.00 0.00 0.00 175.76 176.59 1icc s ASP 53 N -4.05 6.30 -0.14 0.00 -1.08 -1.26 -1.16 116.67 115.26 1icc s ASP 53 Ca 0.34 -0.55 0.13 0.00 -0.52 0.00 0.00 52.55 51.96 1icc s ASP 53 Cb 0.01 -2.35 0.64 0.00 -1.46 0.00 0.00 42.92 39.76 1icc s ASP 53 CO 0.20 -0.97 1.51 0.00 0.52 0.00 0.00 175.17 176.43 1icc n ALA 54 N 6.63 3.32 -0.00 3.66 0.00 0.46 -4.63 120.51 129.94 1icc n ALA 54 Ca -0.02 -1.44 -0.09 0.00 0.00 0.00 0.00 53.44 51.88 1icc n ALA 54 Cb 0.47 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1icc n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1icc h THR 55 N 3.37 0.47 -0.67 0.00 2.02 -1.91 0.20 112.91 116.39 1icc h THR 55 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1icc h THR 55 Cb 1.48 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1icc h THR 55 CO 0.30 0.00 0.40 -0.33 0.37 0.00 0.00 175.52 176.26 1icc h GLU 56 N -0.27 0.91 -0.58 6.66 4.39 -1.95 0.92 114.58 124.68 1icc h GLU 56 Ca 0.10 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1icc h GLU 56 Cb 0.42 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1icc h GLU 56 CO -0.30 0.65 0.00 0.77 -1.16 0.00 0.00 179.01 178.98 1icc h SER 57 N 0.91 0.99 -0.66 1.42 0.02 -1.81 -0.07 113.55 114.35 1icc h SER 57 Ca 0.24 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1icc h SER 57 Cb -0.02 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1icc h SER 57 CO -0.04 1.05 0.27 0.15 -1.14 0.00 0.00 176.83 177.12 1icc h PHE 58 N 0.90 1.00 0.00 3.45 3.57 -0.19 -2.75 116.94 122.93 1icc h PHE 58 Ca 0.16 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1icc h PHE 58 Cb 0.54 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1icc h PHE 58 CO 0.04 0.78 -0.29 0.93 -2.23 0.00 0.00 178.31 177.54 1icc h GLU 59 N 0.93 0.00 0.00 1.11 4.39 -0.66 -3.29 114.58 117.07 1icc h GLU 59 Ca 0.22 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 1icc h GLU 59 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1icc h GLU 59 CO -0.02 0.29 -0.32 -0.44 -1.16 0.00 0.00 179.01 177.36 1icc h ASP 60 N 0.00 0.00 0.67 1.42 3.32 -0.70 -3.22 116.42 117.91 1icc h ASP 60 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1icc h ASP 60 Cb 1.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1icc h ASP 60 CO 0.04 0.32 -0.58 0.58 -1.72 0.00 0.00 179.24 177.87 1icc h VAL 61 N 0.00 1.35 -0.74 -1.35 2.07 -1.61 -3.48 116.25 112.49 1icc h VAL 61 Ca -0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1icc h VAL 61 Cb 0.71 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1icc h VAL 61 CO 0.04 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.81 1icc n GLY 62 N 0.27 0.93 3.70 2.17 0.00 -1.22 -5.03 105.19 106.01 1icc n GLY 62 Ca -0.01 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1icc n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1icc n HIS 63 N -1.60 1.67 -2.35 1.61 8.25 -1.26 -5.01 115.22 116.54 1icc n HIS 63 Ca 0.00 0.42 -0.25 0.00 -0.26 0.00 0.00 57.72 57.64 1icc n HIS 63 Cb 0.34 -2.24 0.05 0.00 1.12 0.00 0.00 29.99 29.26 1icc n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1icc s SER 64 N -1.31 5.08 0.46 0.41 1.04 -1.26 -4.90 113.70 113.22 1icc s SER 64 Ca 0.80 0.40 0.12 0.00 0.48 0.00 0.00 55.95 57.75 1icc s SER 64 Cb -0.39 -1.18 1.05 0.00 0.10 0.00 0.00 66.02 65.60 1icc s SER 64 CO 0.42 -1.38 2.08 -0.65 0.98 0.00 0.00 173.24 174.70 1icc h PRO 65 N -0.36 0.31 -0.14 4.02 0.11 -1.99 0.75 132.00 134.70 1icc h PRO 65 Ca -0.44 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1icc h PRO 65 Cb 1.30 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1icc h PRO 65 CO 0.59 0.20 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.82 1icc h ASP 66 N 0.32 0.29 -0.35 -2.05 3.32 -1.99 -1.20 116.42 114.76 1icc h ASP 66 Ca 0.11 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1icc h ASP 66 Cb 0.06 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1icc h ASP 66 CO -0.02 0.60 -0.37 0.00 -1.72 0.00 0.00 179.24 177.73 1icc h ALA 67 N 1.42 0.52 -0.72 3.45 0.00 -1.26 -1.49 119.26 121.17 1icc h ALA 67 Ca 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1icc h ALA 67 Cb 0.69 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1icc h ALA 67 CO 0.05 0.61 0.32 0.00 0.00 0.00 0.00 179.25 180.23 1icc h ARG 68 N 0.67 1.04 -0.29 0.00 3.08 -0.89 -2.63 114.38 115.36 1icc h ARG 68 Ca 0.05 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1icc h ARG 68 Cb 0.96 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1icc h ARG 68 CO 0.09 0.83 -0.39 1.49 -1.07 0.00 0.00 179.97 180.91 1icc h GLU 69 N 1.03 0.79 -0.73 0.04 4.57 -1.12 -3.05 114.58 116.11 1icc h GLU 69 Ca 0.25 -0.45 0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1icc h GLU 69 Cb 0.15 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1icc h GLU 69 CO -0.03 1.08 0.48 1.98 -1.18 0.00 0.00 179.01 181.35 1icc h MET 70 N 0.55 0.44 -0.95 1.92 4.05 -0.97 -1.87 114.93 118.10 1icc h MET 70 Ca 0.03 -0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.56 1icc h MET 70 Cb 0.99 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 31.61 1icc h MET 70 CO 0.09 0.29 0.60 -0.07 0.23 0.00 0.00 176.91 178.06 1icc h LEU 71 N 0.46 0.81 -0.77 3.39 3.38 -1.36 -3.20 115.31 118.01 1icc h LEU 71 Ca 0.35 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.52 1icc h LEU 71 Cb 0.73 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 1icc h LEU 71 CO -0.11 0.42 0.28 0.11 0.09 0.00 0.00 178.44 179.22 1icc h LYS 72 N 0.86 0.38 0.00 1.13 1.57 -1.47 -0.54 116.57 118.50 1icc h LYS 72 Ca 0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1icc h LYS 72 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1icc h LYS 72 CO -0.24 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1icc n GLN 73 N -5.05 0.13 0.00 3.15 10.64 -1.21 -1.77 117.38 123.28 1icc n GLN 73 Ca 0.15 0.54 0.12 0.00 -1.83 0.00 0.00 57.00 55.98 1icc n GLN 73 Cb 0.46 -1.85 0.15 0.00 -0.86 0.00 0.00 30.24 28.13 1icc n GLN 73 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1icc n TYR 74 N -2.11 0.00 -1.77 2.61 4.01 -0.21 -4.97 117.16 114.72 1icc n TYR 74 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1icc n TYR 74 Cb 0.09 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1icc n TYR 74 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1icc s TYR 75 N -2.19 2.88 0.00 -0.72 5.04 -0.73 -1.36 117.35 120.27 1icc s TYR 75 Ca 0.26 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 1icc s TYR 75 Cb 0.20 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.41 1icc s TYR 75 CO 0.41 -3.97 0.00 0.44 -1.34 0.00 0.00 175.55 171.08 1icc n ILE 76 N 3.41 0.00 0.00 3.14 -5.35 0.10 -4.89 119.36 115.76 1icc n ILE 76 Ca 0.13 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1icc n ILE 76 Cb 0.36 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 1icc n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1icc n GLY 77 N 1.52 -0.27 3.92 3.28 0.00 -1.18 -4.83 105.19 107.64 1icc n GLY 77 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1icc n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1icc s ASP 78 N 0.00 6.22 0.25 1.61 1.01 0.57 -0.67 116.67 125.65 1icc s ASP 78 Ca 0.00 0.12 -0.30 0.00 0.71 0.00 0.00 52.55 53.08 1icc s ASP 78 Cb 0.00 -1.84 -0.09 0.00 1.01 0.00 0.00 42.92 42.00 1icc s ASP 78 CO 0.00 0.05 1.33 -0.69 0.21 0.00 0.00 175.17 176.06 1icc s VAL 79 N -1.76 2.97 0.30 -1.27 1.01 -0.62 -0.68 120.40 120.35 1icc s VAL 79 Ca 0.34 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1icc s VAL 79 Cb -0.11 -3.54 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 1icc s VAL 79 CO 0.28 0.15 1.61 1.57 0.00 0.00 0.00 175.10 178.71 1icc n HIS 80 N 2.05 2.90 -0.25 5.22 -0.00 0.30 -4.76 115.22 120.68 1icc n HIS 80 Ca 0.04 0.24 0.26 0.00 0.46 0.00 0.00 57.72 58.72 1icc n HIS 80 Cb 0.42 -2.61 0.63 0.00 -0.12 0.00 0.00 29.99 28.31 1icc n HIS 80 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1icc h PRO 81 N 4.85 0.18 0.00 1.57 0.11 -1.92 0.26 132.00 137.06 1icc h PRO 81 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1icc h PRO 81 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1icc h PRO 81 CO 0.80 0.12 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.77 1icc h ASN 82 N 0.19 0.00 -0.60 -2.05 -0.26 -1.99 -2.14 115.58 108.73 1icc h ASN 82 Ca 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 1icc h ASN 82 Cb 1.61 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.87 1icc h ASN 82 CO -0.11 0.03 0.00 0.47 -1.06 0.00 0.00 177.43 176.75 1icc n ASP 83 N -3.30 4.78 -4.79 5.81 8.00 0.90 -4.95 116.55 123.01 1icc n ASP 83 Ca -0.02 -2.54 -0.36 0.00 0.71 0.00 0.00 54.79 52.58 1icc n ASP 83 Cb 0.15 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.61 1icc n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1icc s LEU 84 N -2.01 4.30 0.69 0.64 1.43 -0.81 -4.97 118.68 117.95 1icc s LEU 84 Ca 0.50 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 1icc s LEU 84 Cb 0.33 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1icc s LEU 84 CO 0.22 0.25 1.09 -0.54 0.23 0.00 0.00 176.35 177.60 1icc s LYS 85 N -0.19 2.97 0.68 1.70 1.02 -1.26 -5.01 119.74 119.65 1icc s LYS 85 Ca 0.13 0.52 -0.16 0.00 0.02 0.00 0.00 55.97 56.48 1icc s LYS 85 Cb -0.12 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1icc s LYS 85 CO 0.02 -0.97 1.19 -1.25 -0.92 0.00 0.00 175.35 173.43 1icc s PRO 86 N -5.32 2.51 0.00 -1.68 0.04 -1.26 -5.20 135.00 124.08 1icc s PRO 86 Ca 0.58 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1icc s PRO 86 Cb -0.11 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.67 1icc s PRO 86 CO 0.52 -1.54 0.62 1.63 0.04 0.00 0.00 177.00 178.27