#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1icc s THR 5 N 0.00 4.57 -0.09 2.52 2.01 -1.26 -4.97 115.64 118.42 1icc s THR 5 Ca 0.00 1.91 0.02 0.00 0.31 0.00 0.00 61.69 63.93 1icc s THR 5 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1icc s THR 5 CO 0.00 0.18 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.65 1icc s TYR 6 N 0.78 2.72 -0.01 4.92 2.02 -1.26 -0.14 117.35 126.38 1icc s TYR 6 Ca 0.52 -0.45 0.07 0.00 -0.37 0.00 0.00 57.07 56.84 1icc s TYR 6 Cb -0.24 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 1icc s TYR 6 CO 0.29 -0.05 -0.22 0.71 -1.57 0.00 0.00 175.55 174.71 1icc s TYR 7 N -0.17 1.96 0.39 2.71 2.02 -0.05 -4.87 117.35 119.35 1icc s TYR 7 Ca -0.01 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.14 1icc s TYR 7 Cb -0.13 -1.26 -0.10 0.00 -0.40 0.00 0.00 41.96 40.06 1icc s TYR 7 CO 0.03 -0.03 0.86 1.03 -1.57 0.00 0.00 175.55 175.88 1icc s ARG 8 N -0.55 4.13 0.54 -0.62 0.52 -1.26 -0.68 118.95 121.03 1icc s ARG 8 Ca 0.08 0.93 0.22 0.00 -0.52 0.00 0.00 55.73 56.45 1icc s ARG 8 Cb -0.08 -2.28 1.46 0.00 0.52 0.00 0.00 34.95 34.56 1icc s ARG 8 CO -0.01 0.04 2.17 -0.07 0.02 0.00 0.00 175.30 177.45 1icc h LEU 9 N 2.04 0.00 -0.83 2.53 3.38 -1.94 -0.98 115.31 119.51 1icc h LEU 9 Ca -0.49 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1icc h LEU 9 Cb 1.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1icc h LEU 9 CO 0.63 0.03 0.53 -0.08 0.09 0.00 0.00 178.44 179.64 1icc h GLU 10 N 0.00 1.00 -0.10 1.13 4.81 -1.97 0.09 114.58 119.54 1icc h GLU 10 Ca -0.00 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 58.98 1icc h GLU 10 Cb 0.06 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1icc h GLU 10 CO 0.00 0.66 -0.73 0.93 -0.73 0.00 0.00 179.01 179.15 1icc h GLU 11 N 1.03 0.49 -0.54 1.92 4.39 -1.59 -3.17 114.58 117.10 1icc h GLU 11 Ca 0.34 -0.39 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1icc h GLU 11 Cb 0.03 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1icc h GLU 11 CO -0.12 1.02 -0.03 0.28 -1.16 0.00 0.00 179.01 179.00 1icc h VAL 12 N 0.34 1.26 -0.05 3.13 2.07 -0.96 -2.87 116.25 119.18 1icc h VAL 12 Ca -0.03 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.36 1icc h VAL 12 Cb 1.31 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1icc h VAL 12 CO 0.13 0.41 0.15 0.00 0.02 0.00 0.00 177.57 178.28 1icc h ALA 13 N 1.08 1.34 0.00 1.67 0.00 -0.94 -1.53 119.26 120.88 1icc h ALA 13 Ca 0.16 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1icc h ALA 13 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1icc h ALA 13 CO 0.03 -0.18 -0.35 0.87 0.00 0.00 0.00 179.25 179.62 1icc h LYS 14 N 0.00 0.00 -3.50 0.00 1.57 -1.59 -3.36 116.57 109.69 1icc h LYS 14 Ca 0.02 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.05 1icc h LYS 14 Cb 0.33 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.50 1icc h LYS 14 CO -0.00 0.35 2.17 0.54 -0.57 0.00 0.00 179.45 181.94 1icc n ARG 15 N -3.21 3.58 -0.18 3.15 3.00 -0.57 -4.57 116.66 117.87 1icc n ARG 15 Ca 0.02 -3.42 0.09 0.00 -0.01 0.00 0.00 57.85 54.54 1icc n ARG 15 Cb 0.66 -2.95 0.16 0.00 0.00 0.00 0.00 32.46 30.33 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 3.99 2.30 -4.73 0.55 6.94 -1.22 -2.00 115.26 121.09 1icc n ASN 16 Ca 0.42 -3.23 -0.27 0.00 -0.02 0.00 0.00 54.58 51.48 1icc n ASN 16 Cb 0.36 -0.45 -0.08 0.00 -2.36 0.00 0.00 39.78 37.25 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 -2.94 1.92 0.09 5.53 -4.23 -1.01 -4.81 115.64 110.19 1icc s THR 17 Ca 0.33 -1.81 -0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1icc s THR 17 Cb 0.30 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 1icc s THR 17 CO 0.02 0.00 1.39 0.28 -0.54 0.00 0.00 174.62 175.76 1icc h SER 18 N 1.42 0.77 -0.96 3.99 0.02 -1.97 -2.35 113.55 114.47 1icc h SER 18 Ca -0.43 -0.51 0.23 0.00 -0.84 0.00 0.00 61.79 60.25 1icc h SER 18 Cb 1.27 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1icc h SER 18 CO 0.72 1.12 0.64 1.05 -1.14 0.00 0.00 176.83 179.22 1icc h GLU 19 N 0.43 0.35 -1.95 3.45 4.11 -1.98 -3.36 114.58 115.63 1icc h GLU 19 Ca 0.03 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1icc h GLU 19 Cb 0.95 -0.08 -0.30 0.00 0.50 0.00 0.00 28.75 29.82 1icc h GLU 19 CO 0.08 0.23 -0.50 -2.00 0.07 0.00 0.00 179.01 176.90 1icc s GLU 20 N -5.40 0.34 -0.31 1.06 2.12 -0.93 -4.97 118.70 110.60 1icc s GLU 20 Ca -0.08 0.46 -0.02 0.00 0.36 0.00 0.00 54.97 55.69 1icc s GLU 20 Cb 0.23 -0.55 0.06 0.00 0.26 0.00 0.00 34.13 34.13 1icc s GLU 20 CO 0.79 -0.68 0.03 0.99 -0.54 0.00 0.00 175.26 175.85 1icc s THR 21 N 2.52 3.07 0.21 -1.70 2.01 -0.95 -2.40 115.64 118.41 1icc s THR 21 Ca 0.12 -1.45 0.06 0.00 0.31 0.00 0.00 61.69 60.73 1icc s THR 21 Cb -0.15 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1icc s THR 21 CO -0.17 -0.18 0.15 0.26 -0.69 0.00 0.00 174.62 173.99 1icc s TRP 22 N 1.25 3.09 -0.03 4.92 0.52 -0.85 0.20 118.94 128.04 1icc s TRP 22 Ca -0.03 -0.08 -0.30 0.00 0.02 0.00 0.00 56.10 55.71 1icc s TRP 22 Cb -0.20 -1.43 0.08 0.00 -1.15 0.00 0.00 33.47 30.76 1icc s TRP 22 CO -0.01 0.53 0.70 1.41 0.02 0.00 0.00 176.95 179.60 1icc s MET 23 N -3.49 1.04 -0.11 4.98 1.75 -0.23 0.39 119.30 123.63 1icc s MET 23 Ca 0.32 0.15 -0.01 0.00 -1.25 0.00 0.00 55.69 54.90 1icc s MET 23 Cb -0.09 0.49 -0.03 0.00 2.84 0.00 0.00 34.83 38.05 1icc s MET 23 CO 0.24 -0.35 -0.07 0.08 -0.65 0.00 0.00 175.02 174.27 1icc s VAL 24 N -1.53 3.62 -0.06 10.11 1.01 -0.00 -0.69 120.40 132.86 1icc s VAL 24 Ca -0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1icc s VAL 24 Cb -0.00 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1icc s VAL 24 CO 0.06 0.55 0.02 -0.63 0.00 0.00 0.00 175.10 175.10 1icc s ILE 25 N -0.21 0.19 -1.32 2.22 1.01 -0.29 -0.24 121.20 122.56 1icc s ILE 25 Ca 0.03 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 1icc s ILE 25 Cb -0.13 -0.37 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 1icc s ILE 25 CO 0.03 0.22 0.56 1.41 0.00 0.00 0.00 174.94 177.16 1icc n HIS 26 N 5.10 -1.75 -1.07 3.97 8.25 -1.26 -1.83 115.22 126.63 1icc n HIS 26 Ca -0.08 0.67 -0.02 0.00 -0.26 0.00 0.00 57.72 58.03 1icc n HIS 26 Cb 0.50 -3.75 -0.01 0.00 1.12 0.00 0.00 29.99 27.85 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 -1.85 0.39 3.40 -1.41 0.00 -1.26 -5.00 105.19 99.46 1icc n GLY 27 Ca -0.25 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.61 1.44 -0.13 1.61 0.52 -0.76 -0.95 118.95 119.06 1icc s ARG 28 Ca 0.00 -1.43 -0.03 0.00 -0.52 0.00 0.00 55.73 53.75 1icc s ARG 28 Cb 0.00 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 1icc s ARG 28 CO 0.00 0.40 -0.04 0.08 0.02 0.00 0.00 175.30 175.77 1icc s VAL 29 N -1.45 3.94 -0.04 3.52 1.01 0.37 -1.14 120.40 126.61 1icc s VAL 29 Ca 0.17 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1icc s VAL 29 Cb -0.09 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.60 1icc s VAL 29 CO 0.08 0.53 -0.11 -0.31 0.00 0.00 0.00 175.10 175.29 1icc s TYR 30 N -0.05 1.23 -0.49 5.22 1.51 0.13 -0.62 117.35 124.28 1icc s TYR 30 Ca 0.02 -0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 55.54 1icc s TYR 30 Cb -0.13 -0.88 0.06 0.00 -0.11 0.00 0.00 41.96 40.90 1icc s TYR 30 CO 0.03 -0.16 0.52 0.34 -1.11 0.00 0.00 175.55 175.17 1icc s ASP 31 N 0.31 6.19 -0.05 2.29 -1.08 -0.38 -1.07 116.67 122.87 1icc s ASP 31 Ca -0.06 -1.07 0.19 0.00 -0.52 0.00 0.00 52.55 51.09 1icc s ASP 31 Cb -0.11 -2.24 0.65 0.00 -1.46 0.00 0.00 42.92 39.75 1icc s ASP 31 CO 0.02 -0.78 1.55 0.18 0.52 0.00 0.00 175.17 176.65 1icc n LEU 32 N 5.75 4.12 -0.18 -1.34 4.77 0.13 -4.65 117.00 125.60 1icc n LEU 32 Ca -0.09 -2.07 -0.08 0.00 -0.03 0.00 0.00 56.01 53.74 1icc n LEU 32 Cb 0.45 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1icc n LEU 32 CO 0.51 0.84 0.59 0.74 -1.33 0.00 0.00 177.39 178.74 1icc h THR 33 N 3.96 0.12 0.00 -5.08 2.02 -1.88 0.24 112.91 112.28 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 1.16 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1icc h THR 33 CO 0.11 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.54 1icc n ARG 34 N -5.41 0.18 0.05 6.66 1.74 -1.26 -3.07 116.66 115.55 1icc n ARG 34 Ca 0.02 0.35 -0.07 0.00 -0.77 0.00 0.00 57.85 57.38 1icc n ARG 34 Cb 0.35 -1.81 -0.11 0.00 -1.02 0.00 0.00 32.46 29.86 1icc n ARG 34 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1icc h PHE 35 N 0.00 0.00 -0.60 -1.55 3.57 -0.87 -3.39 116.94 114.10 1icc h PHE 35 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1icc h PHE 35 Cb 0.43 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 1icc h PHE 35 CO 0.00 0.96 -0.30 1.28 -2.23 0.00 0.00 178.31 178.02 1icc n LEU 36 N -3.26 -0.53 0.17 0.59 4.77 -0.76 0.17 117.00 118.15 1icc n LEU 36 Ca -0.04 1.06 0.14 0.00 -0.03 0.00 0.00 56.01 57.13 1icc n LEU 36 Cb 0.95 -0.18 0.51 0.00 -2.33 0.00 0.00 43.42 42.37 1icc n LEU 36 CO 0.46 -0.90 0.90 0.77 -1.33 0.00 0.00 177.39 177.29 1icc h SER 37 N 0.00 0.00 -0.03 -1.43 4.64 -1.83 -3.07 113.55 111.83 1icc h SER 37 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1icc h SER 37 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1icc h SER 37 CO -0.58 0.00 -0.01 -0.62 -0.87 0.00 0.00 176.83 174.75 1icc n GLU 38 N -2.53 2.27 -2.35 4.77 -0.58 0.13 -4.92 120.64 117.42 1icc n GLU 38 Ca 0.02 -1.86 -0.43 0.00 -0.42 0.00 0.00 57.16 54.47 1icc n GLU 38 Cb 0.30 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1icc n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1icc s HIS 39 N -2.01 2.50 0.52 -0.32 2.46 -0.91 -4.89 115.29 112.64 1icc s HIS 39 Ca 0.28 0.76 0.29 0.00 0.47 0.00 0.00 55.06 56.86 1icc s HIS 39 Cb 0.20 -4.05 1.42 0.00 -0.13 0.00 0.00 32.58 30.02 1icc s HIS 39 CO 0.31 -1.99 1.90 -1.35 -2.47 0.00 0.00 174.74 171.14 1icc h PRO 40 N 9.99 0.05 -0.05 2.88 0.11 -1.92 0.11 132.00 143.17 1icc h PRO 40 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1icc h PRO 40 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1icc h PRO 40 CO 1.05 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 179.28 1icc n GLY 41 N -1.68 -0.68 0.00 -0.55 0.00 -1.26 -5.01 105.19 96.01 1icc n GLY 41 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.80 1.67 0.13 -0.02 0.00 0.36 -4.59 105.19 103.53 1icc n GLY 42 Ca 0.11 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 1icc n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1icc h GLU 43 N 0.00 0.38 -0.56 1.61 4.81 -1.81 -3.38 114.58 115.63 1icc h GLU 43 Ca 0.00 -0.65 0.06 0.00 -0.13 0.00 0.00 59.36 58.64 1icc h GLU 43 Cb 0.00 0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1icc h GLU 43 CO 0.00 1.28 0.27 0.93 -0.73 0.00 0.00 179.01 180.76 1icc h GLU 44 N 0.10 0.49 -0.22 1.92 5.08 -1.93 -1.72 114.58 118.31 1icc h GLU 44 Ca -0.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1icc h GLU 44 Cb 2.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 1icc h GLU 44 CO 0.21 0.33 0.07 -0.39 -1.00 0.00 0.00 179.01 178.23 1icc h VAL 45 N 0.51 1.10 -0.21 3.13 -1.51 -1.81 -2.45 116.25 115.01 1icc h VAL 45 Ca 0.26 -0.31 -0.09 0.00 -1.23 0.00 0.00 66.70 65.32 1icc h VAL 45 Cb 0.20 0.85 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1icc h VAL 45 CO -0.20 0.12 -0.24 -0.07 -1.23 0.00 0.00 177.57 175.95 1icc h LEU 46 N 0.30 0.57 -0.19 4.19 3.38 -1.58 -3.25 115.31 118.73 1icc h LEU 46 Ca 0.08 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.61 1icc h LEU 46 Cb 0.09 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1icc h LEU 46 CO -0.01 0.95 -0.20 -0.09 0.09 0.00 0.00 178.44 179.18 1icc h ARG 47 N 0.20 -0.22 -0.29 1.13 2.43 -0.89 -1.46 114.38 115.28 1icc h ARG 47 Ca 0.03 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1icc h ARG 47 Cb 0.80 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1icc h ARG 47 CO 0.06 -0.14 0.23 1.05 -1.51 0.00 0.00 179.97 179.65 1icc h GLU 48 N -0.22 0.00 -0.53 0.20 4.11 -1.50 -1.00 114.58 115.63 1icc h GLU 48 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1icc h GLU 48 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1icc h GLU 48 CO -0.32 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.80 1icc n GLN 49 N -4.32 3.40 -1.82 1.06 6.02 -0.62 -4.96 117.38 116.14 1icc n GLN 49 Ca 0.04 -2.71 -0.42 0.00 -0.01 0.00 0.00 57.00 53.90 1icc n GLN 49 Cb 0.39 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 1icc n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1icc s ALA 50 N -1.79 3.83 0.00 -1.58 0.00 -0.38 -1.46 121.76 120.37 1icc s ALA 50 Ca 0.44 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1icc s ALA 50 Cb 0.29 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1icc s ALA 50 CO 0.21 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1icc n GLY 51 N 3.34 1.01 3.32 0.00 0.00 0.16 -4.50 105.19 108.52 1icc n GLY 51 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1icc n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1icc n ALA 52 N -0.70 0.47 -2.52 4.61 0.00 -0.53 -3.17 120.51 118.67 1icc n ALA 52 Ca 0.00 -2.05 -0.42 0.00 0.00 0.00 0.00 53.44 50.97 1icc n ALA 52 Cb 0.00 1.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.43 1icc n ALA 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1icc s ASP 53 N -3.61 6.25 -0.27 0.00 -1.08 -1.26 -0.82 116.67 115.88 1icc s ASP 53 Ca 0.06 -0.36 0.12 0.00 -0.52 0.00 0.00 52.55 51.85 1icc s ASP 53 Cb -0.00 -2.25 0.66 0.00 -1.46 0.00 0.00 42.92 39.86 1icc s ASP 53 CO 0.04 -0.56 1.65 0.00 0.52 0.00 0.00 175.17 176.82 1icc n ALA 54 N 5.74 4.05 -0.11 3.66 0.00 0.67 -4.70 120.51 129.82 1icc n ALA 54 Ca -0.06 -2.44 -0.06 0.00 0.00 0.00 0.00 53.44 50.89 1icc n ALA 54 Cb 0.48 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 2.26 0.86 -0.61 0.00 2.02 -1.91 -0.88 112.91 114.65 1icc h THR 55 Ca 0.17 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 1icc h THR 55 Cb 1.96 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1icc h THR 55 CO 0.53 0.05 0.18 -0.33 0.37 0.00 0.00 175.52 176.31 1icc h GLU 56 N 0.26 0.96 -0.33 6.66 4.39 -1.94 0.77 114.58 125.37 1icc h GLU 56 Ca 0.18 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1icc h GLU 56 Cb 0.17 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1icc h GLU 56 CO -0.20 0.86 0.17 0.77 -1.16 0.00 0.00 179.01 179.46 1icc h SER 57 N 0.88 0.41 -0.30 1.42 0.02 -1.84 0.28 113.55 114.43 1icc h SER 57 Ca 0.20 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1icc h SER 57 Cb 0.31 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1icc h SER 57 CO -0.00 0.39 0.12 0.15 -1.14 0.00 0.00 176.83 176.35 1icc h PHE 58 N 0.40 0.21 -0.25 3.45 3.57 -0.78 -2.35 116.94 121.20 1icc h PHE 58 Ca 0.11 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1icc h PHE 58 Cb 0.08 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1icc h PHE 58 CO -0.03 0.10 -0.46 0.93 -2.23 0.00 0.00 178.31 176.63 1icc h GLU 59 N 0.26 0.64 -0.13 1.11 4.39 -0.65 -3.18 114.58 117.02 1icc h GLU 59 Ca 0.13 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 1icc h GLU 59 Cb 0.08 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1icc h GLU 59 CO -0.12 0.97 -0.10 -0.44 -1.16 0.00 0.00 179.01 178.16 1icc h ASP 60 N 0.51 0.18 1.06 1.42 3.32 -0.17 -2.21 116.42 120.54 1icc h ASP 60 Ca 0.03 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1icc h ASP 60 Cb 1.00 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1icc h ASP 60 CO 0.09 0.31 -0.06 0.58 -1.72 0.00 0.00 179.24 178.45 1icc h VAL 61 N 0.19 0.15 -4.25 -1.35 2.07 -1.41 -3.48 116.25 108.17 1icc h VAL 61 Ca 0.04 -0.71 -0.19 0.00 0.82 0.00 0.00 66.70 66.66 1icc h VAL 61 Cb 0.30 1.61 0.11 0.00 -1.52 0.00 0.00 31.29 31.79 1icc h VAL 61 CO 0.02 0.06 -0.47 0.61 0.02 0.00 0.00 177.57 177.80 1icc n GLY 62 N 0.14 -0.11 3.74 2.17 0.00 -0.83 -4.99 105.19 105.31 1icc n GLY 62 Ca 0.01 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1icc n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1icc s HIS 63 N -3.22 2.19 0.89 1.61 3.76 -1.25 -5.02 115.29 114.25 1icc s HIS 63 Ca 0.06 1.51 -0.14 0.00 -0.15 0.00 0.00 55.06 56.34 1icc s HIS 63 Cb -0.01 -3.58 0.15 0.00 1.11 0.00 0.00 32.58 30.25 1icc s HIS 63 CO 0.44 -2.61 1.25 -1.54 -0.85 0.00 0.00 174.74 171.44 1icc s SER 64 N -1.57 3.73 0.37 1.40 1.04 -1.26 -4.85 113.70 112.56 1icc s SER 64 Ca 0.79 0.47 0.08 0.00 0.48 0.00 0.00 55.95 57.77 1icc s SER 64 Cb -0.34 -0.71 0.73 0.00 0.10 0.00 0.00 66.02 65.80 1icc s SER 64 CO 0.38 -2.37 1.91 -0.65 0.98 0.00 0.00 173.24 173.49 1icc h PRO 65 N -1.37 0.34 -0.21 4.02 0.11 -1.99 -1.47 132.00 131.43 1icc h PRO 65 Ca -0.45 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 1icc h PRO 65 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1icc h PRO 65 CO 0.50 0.43 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.77 1icc h ASP 66 N 0.33 0.65 -0.76 -2.05 3.32 -1.99 -1.94 116.42 113.97 1icc h ASP 66 Ca 0.07 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1icc h ASP 66 Cb 0.35 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1icc h ASP 66 CO 0.02 1.04 0.25 0.00 -1.72 0.00 0.00 179.24 178.84 1icc h ALA 67 N 0.97 1.01 -0.68 3.45 0.00 -1.78 -1.56 119.26 120.68 1icc h ALA 67 Ca 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1icc h ALA 67 Cb 1.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1icc h ALA 67 CO 0.10 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.24 1icc h ARG 68 N 1.13 1.03 -0.56 0.00 3.08 -1.00 -2.66 114.38 115.41 1icc h ARG 68 Ca 0.25 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1icc h ARG 68 Cb 0.29 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1icc h ARG 68 CO -0.01 0.88 0.08 1.49 -1.07 0.00 0.00 179.97 181.34 1icc h GLU 69 N 1.00 0.90 0.00 0.04 4.57 -0.90 -2.67 114.58 117.51 1icc h GLU 69 Ca 0.22 -0.22 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1icc h GLU 69 Cb 0.27 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1icc h GLU 69 CO -0.01 0.84 -0.01 1.98 -1.18 0.00 0.00 179.01 180.63 1icc h MET 70 N 0.85 0.00 -0.98 1.92 4.05 -0.93 -2.57 114.93 117.26 1icc h MET 70 Ca 0.17 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.67 1icc h MET 70 Cb 0.38 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.11 1icc h MET 70 CO 0.01 0.01 0.63 -0.07 0.23 0.00 0.00 176.91 177.72 1icc h LEU 71 N 0.00 0.98 -1.00 3.39 3.38 -1.40 -3.19 115.31 117.47 1icc h LEU 71 Ca -0.00 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1icc h LEU 71 Cb 0.04 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 1icc h LEU 71 CO 0.00 0.60 0.61 0.11 0.09 0.00 0.00 178.44 179.86 1icc h LYS 72 N 1.10 0.82 0.00 1.13 1.57 -1.63 -0.93 116.57 118.62 1icc h LYS 72 Ca 0.44 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1icc h LYS 72 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1icc h LYS 72 CO -0.20 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 1icc n GLN 73 N -4.72 0.07 0.00 3.15 10.64 -1.20 -2.12 117.38 123.20 1icc n GLN 73 Ca 0.22 0.30 0.08 0.00 -1.83 0.00 0.00 57.00 55.76 1icc n GLN 73 Cb 0.49 -1.64 0.04 0.00 -0.86 0.00 0.00 30.24 28.27 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 -1.77 0.00 -1.81 2.61 4.01 -0.38 -4.98 117.16 114.83 1icc n TYR 74 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 1icc n TYR 74 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.48 2.62 0.00 -0.72 5.04 -0.90 -1.25 117.35 120.66 1icc s TYR 75 Ca 0.16 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 1icc s TYR 75 Cb 0.13 -4.02 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1icc s TYR 75 CO 0.26 -3.01 0.00 0.44 -1.34 0.00 0.00 175.55 171.90 1icc n ILE 76 N 0.63 0.00 0.00 3.14 -5.35 0.21 -4.84 119.36 113.15 1icc n ILE 76 Ca 0.02 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1icc n ILE 76 Cb 0.39 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 0.22 -0.37 3.87 3.28 0.00 -1.18 -4.85 105.19 106.15 1icc n GLY 77 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 5.94 0.41 1.61 1.11 0.80 -0.48 116.67 126.07 1icc s ASP 78 Ca 0.00 0.03 -0.24 0.00 0.18 0.00 0.00 52.55 52.52 1icc s ASP 78 Cb 0.00 -1.69 -0.08 0.00 1.07 0.00 0.00 42.92 42.22 1icc s ASP 78 CO 0.00 0.07 1.12 -0.69 1.18 0.00 0.00 175.17 176.85 1icc s VAL 79 N -1.73 3.35 0.27 -1.27 1.01 -0.12 -0.87 120.40 121.04 1icc s VAL 79 Ca 0.33 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 1icc s VAL 79 Cb -0.11 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 1icc s VAL 79 CO 0.26 0.04 1.53 -2.28 0.00 0.00 0.00 175.10 174.65 1icc s HIS 80 N -1.53 2.87 0.43 5.22 2.46 0.14 -4.72 115.29 120.16 1icc s HIS 80 Ca 0.59 0.88 0.20 0.00 0.47 0.00 0.00 55.06 57.19 1icc s HIS 80 Cb -0.27 -3.96 1.14 0.00 -0.13 0.00 0.00 32.58 29.36 1icc s HIS 80 CO 0.34 -3.20 1.83 -1.35 -2.47 0.00 0.00 174.74 169.88 1icc h PRO 81 N 4.99 0.34 -0.42 2.88 0.11 -1.93 0.58 132.00 138.55 1icc h PRO 81 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1icc h PRO 81 Cb 1.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1icc h PRO 81 CO 0.79 0.23 0.13 -0.91 -0.21 0.00 0.00 178.00 178.03 1icc h ASN 82 N 0.35 0.56 -0.01 -2.05 -0.26 -1.98 -2.82 115.58 109.37 1icc h ASN 82 Ca 0.51 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 1icc h ASN 82 Cb 1.37 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 1icc h ASN 82 CO -0.19 0.54 -0.01 0.47 -1.06 0.00 0.00 177.43 177.18 1icc n ASP 83 N -4.34 1.31 -4.81 5.81 8.00 0.20 -4.92 116.55 117.80 1icc n ASP 83 Ca 0.03 -1.42 -0.33 0.00 0.71 0.00 0.00 54.79 53.77 1icc n ASP 83 Cb 0.18 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 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 3.81 0.48 0.64 1.43 -1.01 -4.95 118.68 117.06 1icc s LEU 84 Ca 0.39 1.77 0.09 0.00 -1.03 0.00 0.00 54.13 55.34 1icc s LEU 84 Cb 0.21 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.93 1icc s LEU 84 CO 0.34 -0.63 0.66 -1.59 0.23 0.00 0.00 176.35 175.36 1icc s LYS 85 N -3.44 2.62 0.00 1.70 -2.85 -1.26 -5.06 119.74 111.45 1icc s LYS 85 Ca 0.63 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 1icc s LYS 85 Cb -0.12 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.93 1icc s LYS 85 CO 0.21 -0.51 0.08 -2.30 0.10 0.00 0.00 175.35 172.93