#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isk n ASN 2 N 0.00 1.52 -4.94 3.17 3.02 -1.26 -4.89 115.26 111.88 1isk n ASN 2 Ca 0.00 -1.75 -0.26 0.00 -0.03 0.00 0.00 54.58 52.54 1isk n ASN 2 Cb 0.00 -1.64 -0.03 0.00 -0.61 0.00 0.00 39.78 37.50 1isk n ASN 2 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1isk s THR 3 N 15.02 5.26 0.19 3.41 -4.23 -1.26 -4.70 115.64 129.32 1isk s THR 3 Ca 0.90 -0.57 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1isk s THR 3 Cb -0.13 -3.76 -0.12 0.00 1.34 0.00 0.00 72.50 69.84 1isk s THR 3 CO 0.13 -0.17 1.43 1.55 -0.54 0.00 0.00 174.62 177.02 1isk h PRO 4 N 1.93 0.18 -0.27 3.99 0.13 -1.90 -1.08 132.00 134.98 1isk h PRO 4 Ca -0.49 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 1isk h PRO 4 Cb 1.20 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1isk h PRO 4 CO 0.67 0.89 0.13 0.93 -0.23 0.00 0.00 178.00 180.40 1isk h GLU 5 N 0.11 0.38 -0.13 0.86 5.08 -1.95 0.15 114.58 119.10 1isk h GLU 5 Ca -0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1isk h GLU 5 Cb 1.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1isk h GLU 5 CO 0.12 0.37 -0.27 1.25 -1.00 0.00 0.00 179.01 179.48 1isk h HIS 6 N 0.31 0.52 -0.27 4.33 2.76 -1.94 -1.17 115.15 119.68 1isk h HIS 6 Ca 0.09 -0.19 0.06 0.00 -2.20 0.00 0.00 60.37 58.13 1isk h HIS 6 Cb 0.11 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 1isk h HIS 6 CO -0.02 0.89 -0.11 0.52 -1.30 0.00 0.00 177.93 177.90 1isk h MET 7 N -0.00 -0.06 -0.12 5.26 2.86 -1.07 0.25 114.93 122.04 1isk h MET 7 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1isk h MET 7 Cb 0.86 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1isk h MET 7 CO 0.06 -0.04 0.04 1.15 1.06 0.00 0.00 176.91 179.18 1isk h THR 8 N -0.06 1.18 -1.00 2.22 2.02 -0.72 -0.22 112.91 116.32 1isk h THR 8 Ca 0.14 -0.55 0.16 0.00 0.77 0.00 0.00 66.41 66.93 1isk h THR 8 Cb 0.27 1.33 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 1isk h THR 8 CO -0.32 0.16 0.62 0.00 0.37 0.00 0.00 175.52 176.36 1isk h ALA 9 N 0.85 1.64 -0.42 6.16 0.00 -0.70 0.26 119.26 127.04 1isk h ALA 9 Ca 0.04 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1isk h ALA 9 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1isk h ALA 9 CO -0.00 0.04 -0.26 0.28 0.00 0.00 0.00 179.25 179.31 1isk h VAL 10 N 0.84 1.27 -0.81 0.00 2.07 -0.13 -1.22 116.25 118.27 1isk h VAL 10 Ca 0.55 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1isk h VAL 10 Cb 0.76 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1isk h VAL 10 CO -0.33 0.48 0.50 0.58 0.02 0.00 0.00 177.57 178.82 1isk h VAL 11 N 0.74 1.05 0.18 2.57 2.07 0.12 0.40 116.25 123.38 1isk h VAL 11 Ca 0.09 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1isk h VAL 11 Cb 0.84 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1isk h VAL 11 CO 0.07 0.17 -0.08 -0.61 0.02 0.00 0.00 177.57 177.14 1isk h GLN 12 N 0.92 -0.23 -0.68 1.57 4.15 -0.64 -1.19 115.11 119.02 1isk h GLN 12 Ca 0.35 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.87 1isk h GLN 12 Cb 0.14 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1isk h GLN 12 CO -0.16 0.07 0.45 -0.09 -1.93 0.00 0.00 178.83 177.17 1isk h ARG 13 N -0.53 0.59 0.30 1.69 2.43 -0.79 0.13 114.38 118.20 1isk h ARG 13 Ca -0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1isk h ARG 13 Cb 0.40 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1isk h ARG 13 CO 0.04 0.39 -0.14 -0.92 -1.51 0.00 0.00 179.97 177.83 1isk h TYR 14 N 0.61 -0.37 0.76 2.20 5.03 -0.01 0.02 116.97 125.20 1isk h TYR 14 Ca 0.31 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.57 1isk h TYR 14 Cb 0.41 0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.81 1isk h TYR 14 CO -0.00 -0.07 -0.44 0.28 -1.32 0.00 0.00 178.16 176.62 1isk h VAL 15 N -0.69 0.00 -0.86 1.81 2.07 -0.66 0.98 116.25 118.90 1isk h VAL 15 Ca -0.04 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.70 1isk h VAL 15 Cb 0.48 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.10 1isk h VAL 15 CO 0.07 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.85 1isk h ALA 16 N -1.31 1.19 -0.77 1.67 0.00 -0.85 1.53 119.26 120.72 1isk h ALA 16 Ca -0.10 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1isk h ALA 16 Cb 0.88 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1isk h ALA 16 CO 0.12 -0.46 0.50 0.00 0.00 0.00 0.00 179.25 179.41 1isk h ALA 17 N 1.78 1.43 0.66 0.00 0.00 -0.51 0.26 119.26 122.89 1isk h ALA 17 Ca 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 1isk h ALA 17 Cb 1.05 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1isk h ALA 17 CO -0.67 0.52 -0.32 1.25 0.00 0.00 0.00 179.25 180.04 1isk h LEU 18 N 1.05 -0.76 -2.48 0.00 5.85 0.46 0.23 115.31 119.66 1isk h LEU 18 Ca 0.28 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1isk h LEU 18 Cb -0.10 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1isk h LEU 18 CO -0.06 -0.45 0.08 -1.13 -0.34 0.00 0.00 178.44 176.54 1isk h ASN 19 N -1.04 0.00 1.01 1.25 -0.73 -0.54 0.39 115.58 115.91 1isk h ASN 19 Ca -0.09 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 57.90 1isk h ASN 19 Cb 0.72 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 1isk h ASN 19 CO 0.15 0.00 -0.84 0.00 -0.37 0.00 0.00 177.43 176.37 1isk h ALA 20 N 1.89 0.52 -1.10 1.57 0.00 0.16 -3.48 119.26 118.82 1isk h ALA 20 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1isk h ALA 20 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1isk h ALA 20 CO -0.00 1.05 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1isk n GLY 21 N 1.12 0.66 3.34 0.00 0.00 0.14 -5.03 105.19 105.43 1isk n GLY 21 Ca 0.00 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.17 1isk n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1isk s ASP 22 N -2.49 6.65 0.00 1.61 1.11 -0.32 -4.91 116.67 118.32 1isk s ASP 22 Ca 0.00 -2.45 -0.02 0.00 0.18 0.00 0.00 52.55 50.26 1isk s ASP 22 Cb 0.00 -2.23 -0.01 0.00 1.07 0.00 0.00 42.92 41.74 1isk s ASP 22 CO 0.00 -0.69 0.68 -0.07 1.18 0.00 0.00 175.17 176.27 1isk h LEU 23 N 8.30 -0.07 -1.25 1.23 -0.00 -1.96 0.27 115.31 121.84 1isk h LEU 23 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1isk h LEU 23 Cb 1.05 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.71 1isk h LEU 23 CO 0.84 -0.03 0.10 -0.78 -0.00 0.00 0.00 178.44 178.57 1isk h ASP 24 N -0.11 0.56 0.76 -0.43 3.58 -1.97 -0.67 116.42 118.15 1isk h ASP 24 Ca -0.01 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 1isk h ASP 24 Cb 0.06 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 40.97 1isk h ASP 24 CO 0.01 0.57 -0.37 1.23 -2.88 0.00 0.00 179.24 177.81 1isk h GLY 25 N 0.83 -1.07 0.33 -0.78 0.00 -1.95 0.33 103.07 100.75 1isk h GLY 25 Ca 0.14 0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.97 1isk h GLY 25 CO -0.00 -0.39 0.21 -2.22 0.00 0.00 0.00 176.54 174.14 1isk h ILE 26 N -1.07 0.73 -0.06 2.60 2.04 -0.37 0.60 117.51 121.98 1isk h ILE 26 Ca -0.10 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1isk h ILE 26 Cb 0.79 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1isk h ILE 26 CO 0.17 0.07 0.02 0.58 0.00 0.00 0.00 178.15 178.99 1isk h VAL 27 N 0.38 1.03 0.00 1.67 2.07 -1.01 0.20 116.25 120.59 1isk h VAL 27 Ca 0.32 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 1isk h VAL 27 Cb 0.42 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1isk h VAL 27 CO -0.33 0.03 -0.22 0.00 0.02 0.00 0.00 177.57 177.07 1isk h ALA 28 N 1.94 0.88 -0.23 1.67 0.00 0.40 -3.28 119.26 120.65 1isk h ALA 28 Ca 0.02 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1isk h ALA 28 Cb 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1isk h ALA 28 CO -0.00 0.14 0.01 1.25 0.00 0.00 0.00 179.25 180.64 1isk h LEU 29 N 0.00 -0.07 0.00 0.00 6.46 0.32 -3.44 115.31 118.58 1isk h LEU 29 Ca -0.00 0.05 -0.31 0.00 -0.12 0.00 0.00 57.88 57.49 1isk h LEU 29 Cb 1.09 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 1isk h LEU 29 CO 0.01 -0.00 -0.14 2.22 -0.62 0.00 0.00 178.44 179.91 1isk n PHE 30 N -5.13 -1.19 -0.88 1.25 1.16 -1.18 -4.88 117.46 106.62 1isk n PHE 30 Ca -0.02 -1.28 -0.36 0.00 -1.87 0.00 0.00 57.45 53.93 1isk n PHE 30 Cb 0.12 -0.26 0.08 0.00 -1.61 0.00 0.00 39.48 37.82 1isk n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1isk n ALA 31 N -2.40 -5.02 0.92 1.98 0.00 0.12 -4.89 120.51 111.22 1isk n ALA 31 Ca -0.09 -1.22 0.10 0.00 0.00 0.00 0.00 53.44 52.23 1isk n ALA 31 Cb 0.35 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 1isk n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1isk n ASP 32 N 1.46 0.85 -0.07 0.00 8.00 -1.26 -4.06 116.55 121.47 1isk n ASP 32 Ca -0.01 -0.79 0.04 0.00 0.71 0.00 0.00 54.79 54.75 1isk n ASP 32 Cb 0.67 0.93 0.06 0.00 -0.02 0.00 0.00 41.12 42.77 1isk n ASP 32 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1isk n ASP 33 N -1.57 1.84 -4.55 -2.24 5.75 -1.26 -1.88 116.55 112.64 1isk n ASP 33 Ca 0.04 -2.41 -0.32 0.00 -0.01 0.00 0.00 54.79 52.09 1isk n ASP 33 Cb 0.35 -0.21 0.16 0.00 -1.03 0.00 0.00 41.12 40.39 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isk n ALA 34 N -0.84 -1.70 -2.53 2.12 0.00 -1.26 -4.17 120.51 112.13 1isk n ALA 34 Ca 0.07 -0.63 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 1isk n ALA 34 Cb 0.48 -2.02 -0.12 0.00 0.00 0.00 0.00 19.45 17.79 1isk n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1isk s THR 35 N -2.52 3.29 0.17 0.00 -4.23 -0.22 -1.38 115.64 110.76 1isk s THR 35 Ca 0.63 -0.80 0.10 0.00 -1.18 0.00 0.00 61.69 60.43 1isk s THR 35 Cb -0.22 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1isk s THR 35 CO 0.62 0.47 -0.15 -0.69 -0.54 0.00 0.00 174.62 174.33 1isk s VAL 36 N -0.87 2.88 -0.46 2.29 1.01 0.35 0.10 120.40 125.70 1isk s VAL 36 Ca 0.14 -1.74 0.06 0.00 0.00 0.00 0.00 61.98 60.44 1isk s VAL 36 Cb -0.11 -2.39 0.32 0.00 0.00 0.00 0.00 36.38 34.20 1isk s VAL 36 CO 0.04 -0.07 1.11 1.21 0.00 0.00 0.00 175.10 177.38 1isk n GLU 37 N 0.25 1.01 -4.57 2.72 0.00 0.27 0.56 120.64 120.88 1isk n GLU 37 Ca -0.12 -1.96 -0.23 0.00 0.00 0.00 0.00 57.16 54.85 1isk n GLU 37 Cb 0.55 -1.05 -0.16 0.00 0.00 0.00 0.00 31.44 30.78 1isk n GLU 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1isk s ASP 38 N -1.31 1.61 -0.01 4.31 2.15 -1.26 -1.00 116.67 121.17 1isk s ASP 38 Ca 0.23 -0.26 -0.01 0.00 0.43 0.00 0.00 52.55 52.94 1isk s ASP 38 Cb 0.29 -0.48 -0.00 0.00 -0.30 0.00 0.00 42.92 42.43 1isk s ASP 38 CO -0.05 0.09 0.26 1.55 -0.17 0.00 0.00 175.17 176.85 1isk h PRO 39 N 6.42 -0.03 0.00 4.34 0.13 -1.98 -3.48 132.00 137.39 1isk h PRO 39 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1isk h PRO 39 Cb 1.17 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1isk h PRO 39 CO 0.48 -0.02 0.10 0.28 -0.23 0.00 0.00 178.00 178.62 1isk n VAL 40 N -2.27 0.00 0.00 1.56 0.31 -1.26 -3.07 118.33 113.61 1isk n VAL 40 Ca -0.00 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.50 1isk n VAL 40 Cb 0.01 0.69 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 1isk n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1isk n GLY 41 N -0.37 0.62 3.91 2.92 0.00 -1.26 -5.06 105.19 105.95 1isk n GLY 41 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1isk n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1isk n SER 42 N 0.00 0.00 -3.39 1.61 7.64 -1.26 -5.02 113.62 113.19 1isk n SER 42 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1isk n SER 42 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1isk n SER 42 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1isk n GLU 43 N -0.16 -1.79 -2.15 1.43 0.28 -1.26 -4.90 120.64 112.09 1isk n GLU 43 Ca 0.00 1.43 -0.33 0.00 -0.16 0.00 0.00 57.16 58.10 1isk n GLU 43 Cb 0.00 -2.30 -0.00 0.00 1.43 0.00 0.00 31.44 30.57 1isk n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1isk s PRO 44 N -2.26 3.45 -0.43 3.44 0.04 -1.26 -4.99 135.00 132.99 1isk s PRO 44 Ca 0.32 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1isk s PRO 44 Cb -0.04 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.52 1isk s PRO 44 CO 0.75 -0.70 0.29 1.03 0.04 0.00 0.00 177.00 178.42 1isk s ARG 45 N -3.97 2.75 0.36 4.56 0.52 0.19 -4.84 118.95 118.52 1isk s ARG 45 Ca 0.63 -1.38 0.08 0.00 -0.52 0.00 0.00 55.73 54.55 1isk s ARG 45 Cb -0.15 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 1isk s ARG 45 CO 0.34 -0.94 0.22 -1.54 0.02 0.00 0.00 175.30 173.40 1isk s SER 46 N 2.18 4.82 0.00 0.23 1.04 -1.26 -0.50 113.70 120.22 1isk s SER 46 Ca 0.03 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1isk s SER 46 Cb -0.23 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.18 1isk s SER 46 CO 0.04 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1isk n GLY 47 N -1.27 -0.48 0.62 7.32 0.00 -0.48 -3.96 105.19 106.94 1isk n GLY 47 Ca -0.01 -1.13 0.41 0.00 0.00 0.00 0.00 46.02 45.29 1isk n GLY 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1isk h THR 48 N 0.00 0.05 0.57 2.61 1.35 -1.65 0.57 112.91 116.41 1isk h THR 48 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1isk h THR 48 Cb 0.00 0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.49 1isk h THR 48 CO 0.00 0.00 -0.27 0.00 -0.25 0.00 0.00 175.52 175.00 1isk h ALA 49 N 0.88 -0.90 0.01 6.62 0.00 -1.86 0.40 119.26 124.41 1isk h ALA 49 Ca 0.72 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 1isk h ALA 49 Cb 3.24 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 21.33 1isk h ALA 49 CO -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 179.25 178.39 1isk h ALA 50 N -1.40 -0.02 -0.42 0.00 0.00 -0.20 0.26 119.26 117.48 1isk h ALA 50 Ca -0.08 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1isk h ALA 50 Cb 0.59 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1isk h ALA 50 CO 0.13 -0.51 0.30 0.82 0.00 0.00 0.00 179.25 179.98 1isk h ILE 51 N -0.02 0.84 0.00 0.00 2.04 -0.50 0.43 117.51 120.31 1isk h ILE 51 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1isk h ILE 51 Cb 0.02 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1isk h ILE 51 CO 0.00 0.02 0.00 -1.14 0.00 0.00 0.00 178.15 177.03 1isk n ARG 52 N -4.44 0.00 -0.43 2.37 0.63 0.14 -1.14 116.66 113.78 1isk n ARG 52 Ca 0.07 0.31 0.41 0.00 -0.92 0.00 0.00 57.85 57.71 1isk n ARG 52 Cb 0.42 -0.94 0.77 0.00 0.45 0.00 0.00 32.46 33.16 1isk n ARG 52 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1isk h GLU 53 N 0.00 0.00 0.10 -0.14 4.81 -0.47 0.19 114.58 119.07 1isk h GLU 53 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1isk h GLU 53 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1isk h GLU 53 CO 0.00 0.00 -0.05 0.35 -0.73 0.00 0.00 179.01 178.58 1isk h PHE 54 N 0.00 -0.13 -0.92 0.92 3.57 -0.22 -0.74 116.94 119.43 1isk h PHE 54 Ca 0.67 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.40 1isk h PHE 54 Cb 2.70 0.04 -0.13 0.00 2.79 0.00 0.00 35.95 41.36 1isk h PHE 54 CO -0.00 -0.08 0.43 1.88 -2.23 0.00 0.00 178.31 178.31 1isk h TYR 55 N -0.32 0.71 0.23 0.41 -1.99 -0.05 0.42 116.97 116.38 1isk h TYR 55 Ca -0.01 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1isk h TYR 55 Cb 0.11 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.67 1isk h TYR 55 CO 0.06 -0.05 -0.11 0.00 -0.00 0.00 0.00 178.16 178.06 1isk h ALA 56 N 1.73 -0.85 -0.97 3.88 0.00 -0.77 0.41 119.26 122.69 1isk h ALA 56 Ca 0.58 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.71 1isk h ALA 56 Cb 1.13 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1isk h ALA 56 CO -0.53 -0.83 0.95 -0.91 0.00 0.00 0.00 179.25 177.92 1isk h ASN 57 N -0.37 0.00 0.17 0.00 2.35 -0.51 1.46 115.58 118.68 1isk h ASN 57 Ca -0.03 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.49 1isk h ASN 57 Cb 0.24 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.63 1isk h ASN 57 CO 0.05 0.00 -1.01 -1.28 -1.65 0.00 0.00 177.43 173.54 1isk h SER 58 N 0.00 0.60 0.17 5.81 0.87 0.17 -3.20 113.55 117.97 1isk h SER 58 Ca 0.46 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 1isk h SER 58 Cb 2.35 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 64.11 1isk h SER 58 CO -0.00 1.48 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.66 1isk h LEU 59 N -0.18 0.00 -1.63 2.23 3.38 0.65 -1.27 115.31 118.49 1isk h LEU 59 Ca -0.17 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1isk h LEU 59 Cb 1.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1isk h LEU 59 CO 0.19 0.05 0.55 0.50 0.09 0.00 0.00 178.44 179.82 1isk h LYS 60 N 0.00 0.00 -5.75 1.13 3.64 -0.91 -3.38 116.57 111.30 1isk h LYS 60 Ca -0.00 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 1isk h LYS 60 Cb 0.14 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1isk h LYS 60 CO 0.01 0.00 -0.40 -1.17 -2.27 0.00 0.00 179.45 175.61 1isk s LEU 61 N -6.27 4.41 -0.66 5.20 2.96 -0.48 -4.97 118.68 118.87 1isk s LEU 61 Ca -0.03 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.42 1isk s LEU 61 Cb 0.10 -2.24 -0.13 0.00 0.50 0.00 0.00 46.19 44.43 1isk s LEU 61 CO 0.35 0.38 2.66 -0.81 -1.32 0.00 0.00 176.35 177.60 1isk n PRO 62 N 1.89 2.20 -3.53 0.98 -0.04 -1.26 -4.87 135.00 130.36 1isk n PRO 62 Ca -0.18 -1.30 -0.35 0.00 -0.04 0.00 0.00 63.50 61.63 1isk n PRO 62 Cb 0.54 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 1isk n PRO 62 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1isk s LEU 63 N 0.07 4.35 -0.29 1.53 1.98 -1.26 -4.59 118.68 120.46 1isk s LEU 63 Ca 0.52 0.85 0.03 0.00 -2.89 0.00 0.00 54.13 52.63 1isk s LEU 63 Cb 0.18 -3.02 0.08 0.00 0.66 0.00 0.00 46.19 44.09 1isk s LEU 63 CO -0.02 0.16 -0.02 0.00 -1.89 0.00 0.00 176.35 174.58 1isk s ALA 64 N -1.40 2.55 -0.09 5.97 0.00 -0.27 -4.96 121.76 123.57 1isk s ALA 64 Ca 0.34 -2.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.22 1isk s ALA 64 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1isk s ALA 64 CO 0.18 -1.44 0.07 0.08 0.00 0.00 0.00 175.76 174.65 1isk s VAL 65 N 1.09 4.83 -0.23 0.00 1.01 -1.26 -1.14 120.40 124.70 1isk s VAL 65 Ca 0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1isk s VAL 65 Cb -0.19 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.25 1isk s VAL 65 CO -0.08 0.57 1.17 -0.70 0.00 0.00 0.00 175.10 176.06 1isk s GLU 66 N -1.06 0.35 0.62 2.72 2.12 -0.53 -4.76 118.70 118.16 1isk s GLU 66 Ca 0.15 0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.51 1isk s GLU 66 Cb -0.12 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 1isk s GLU 66 CO 0.05 -0.10 1.04 -0.48 -0.54 0.00 0.00 175.26 175.23 1isk s LEU 67 N -0.76 3.33 -0.34 2.70 0.05 -1.26 0.12 118.68 122.52 1isk s LEU 67 Ca 0.03 1.60 0.04 0.00 0.05 0.00 0.00 54.13 55.85 1isk s LEU 67 Cb -0.02 -4.50 0.20 0.00 -2.05 0.00 0.00 46.19 39.82 1isk s LEU 67 CO -0.04 -1.07 1.20 1.07 -0.55 0.00 0.00 176.35 176.95 1isk n THR 68 N -2.49 0.00 0.00 5.48 5.66 -1.22 -4.81 114.28 116.89 1isk n THR 68 Ca 0.07 -0.84 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 1isk n THR 68 Cb 0.54 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N -0.21 0.00 -4.05 1.09 10.64 -1.26 -4.99 117.38 118.61 1isk n GLN 69 Ca -0.16 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 54.93 1isk n GLN 69 Cb 0.71 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 30.00 1isk n GLN 69 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1isk s GLU 70 N 0.85 0.73 -0.13 2.61 0.41 -1.26 -5.05 118.70 116.85 1isk s GLU 70 Ca 0.00 -1.20 -0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1isk s GLU 70 Cb 0.00 0.25 0.03 0.00 -1.78 0.00 0.00 34.13 32.63 1isk s GLU 70 CO 0.00 -0.18 -0.07 0.08 -0.49 0.00 0.00 175.26 174.60 1isk s VAL 71 N -3.93 1.05 -1.30 2.63 1.01 -1.26 -1.66 120.40 116.94 1isk s VAL 71 Ca 0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1isk s VAL 71 Cb 0.07 -1.11 0.13 0.00 0.00 0.00 0.00 36.38 35.47 1isk s VAL 71 CO -0.08 0.30 1.80 0.54 0.00 0.00 0.00 175.10 177.66 1isk n ARG 72 N 4.93 3.35 -2.84 2.72 5.12 0.02 -4.86 116.66 125.10 1isk n ARG 72 Ca -0.12 -3.42 -0.44 0.00 -1.93 0.00 0.00 57.85 51.94 1isk n ARG 72 Cb 0.49 -3.10 0.00 0.00 -1.16 0.00 0.00 32.46 28.69 1isk n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1isk n ALA 73 N 5.41 4.25 -2.55 7.54 0.00 -1.23 -0.07 120.51 133.86 1isk n ALA 73 Ca 0.42 -4.30 -0.08 0.00 0.00 0.00 0.00 53.44 49.48 1isk n ALA 73 Cb 0.40 -2.98 -0.10 0.00 0.00 0.00 0.00 19.45 16.77 1isk n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1isk s VAL 74 N 1.01 0.16 -1.30 0.00 0.11 0.12 -4.31 120.40 116.20 1isk s VAL 74 Ca 0.41 -1.32 -0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1isk s VAL 74 Cb -0.00 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1isk s VAL 74 CO 0.00 -0.73 0.72 0.00 -3.33 0.00 0.00 175.10 171.76 1isk n ALA 75 N 0.74 -2.01 -3.08 1.54 0.00 -1.26 -0.27 120.51 116.17 1isk n ALA 75 Ca -0.18 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1isk n ALA 75 Cb 0.59 -1.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 1isk n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1isk n ASN 76 N -3.06 -2.82 -3.82 0.00 3.02 -1.26 -4.90 115.26 102.42 1isk n ASN 76 Ca -0.30 -0.13 -0.20 0.00 -0.03 0.00 0.00 54.58 53.92 1isk n ASN 76 Cb 0.68 -2.41 -0.17 0.00 -0.61 0.00 0.00 39.78 37.27 1isk n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1isk s GLU 77 N -5.68 0.55 -0.79 3.52 2.02 0.63 -1.41 118.70 117.55 1isk s GLU 77 Ca 0.26 0.05 -0.08 0.00 0.02 0.00 0.00 54.97 55.22 1isk s GLU 77 Cb -0.14 -0.77 0.20 0.00 0.10 0.00 0.00 34.13 33.52 1isk s GLU 77 CO 0.32 -0.19 0.68 0.00 0.02 0.00 0.00 175.26 176.09 1isk s ALA 78 N 1.39 3.97 -0.95 5.21 0.00 -0.21 0.15 121.76 131.32 1isk s ALA 78 Ca -0.04 -3.41 -0.10 0.00 0.00 0.00 0.00 51.96 48.41 1isk s ALA 78 Cb -0.13 -3.13 0.24 0.00 0.00 0.00 0.00 23.12 20.10 1isk s ALA 78 CO -0.02 -2.20 0.91 0.00 0.00 0.00 0.00 175.76 174.44 1isk s ALA 79 N -0.21 4.37 0.34 0.00 0.00 0.90 -1.05 121.76 126.11 1isk s ALA 79 Ca 0.20 -3.62 0.08 0.00 0.00 0.00 0.00 51.96 48.61 1isk s ALA 79 Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1isk s ALA 79 CO -0.07 -2.22 0.27 -0.59 0.00 0.00 0.00 175.76 173.15 1isk s PHE 80 N -0.68 2.87 -0.13 0.00 -0.71 0.40 -0.80 117.98 118.93 1isk s PHE 80 Ca 0.25 -0.31 -0.02 0.00 -1.04 0.00 0.00 56.93 55.81 1isk s PHE 80 Cb -0.10 -1.77 -0.02 0.00 -1.21 0.00 0.00 43.02 39.91 1isk s PHE 80 CO -0.09 0.21 -0.09 0.00 -1.34 0.00 0.00 175.22 173.92 1isk s ALA 81 N -2.32 2.81 0.10 1.99 0.00 -0.66 0.15 121.76 123.83 1isk s ALA 81 Ca 0.40 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1isk s ALA 81 Cb -0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1isk s ALA 81 CO 0.26 0.27 -0.05 -0.59 0.00 0.00 0.00 175.76 175.65 1isk s PHE 82 N 0.24 0.90 0.33 0.00 -0.71 -0.62 -3.44 117.98 114.68 1isk s PHE 82 Ca -0.06 -0.96 0.07 0.00 -1.04 0.00 0.00 56.93 54.94 1isk s PHE 82 Cb -0.15 -0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 41.12 1isk s PHE 82 CO 0.04 -0.19 0.43 0.95 -1.34 0.00 0.00 175.22 175.10 1isk s THR 83 N -3.67 3.96 -0.21 -4.49 -4.23 0.12 -2.19 115.64 104.92 1isk s THR 83 Ca 0.13 -1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 59.52 1isk s THR 83 Cb 0.06 -3.36 0.11 0.00 1.34 0.00 0.00 72.50 70.64 1isk s THR 83 CO -0.04 -0.16 0.33 0.68 -0.54 0.00 0.00 174.62 174.89 1isk s VAL 84 N -2.20 -0.51 -0.25 2.29 -7.23 0.28 -1.45 120.40 111.32 1isk s VAL 84 Ca 0.44 0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.50 1isk s VAL 84 Cb -0.09 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 1isk s VAL 84 CO 0.30 -0.07 0.27 -0.55 -0.31 0.00 0.00 175.10 174.74 1isk s SER 85 N 2.48 6.18 -0.02 4.85 0.15 -0.29 -1.06 113.70 125.99 1isk s SER 85 Ca 0.07 0.19 -0.00 0.00 0.70 0.00 0.00 55.95 56.91 1isk s SER 85 Cb -0.14 -2.16 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1isk s SER 85 CO -0.13 -0.06 0.03 0.72 1.20 0.00 0.00 173.24 175.00 1isk s PHE 86 N 1.58 -0.00 -0.25 3.44 -0.71 -0.62 -1.12 117.98 120.29 1isk s PHE 86 Ca 0.11 0.12 -0.08 0.00 -1.04 0.00 0.00 56.93 56.03 1isk s PHE 86 Cb -0.15 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 1isk s PHE 86 CO 0.08 -0.06 0.11 -2.00 -1.34 0.00 0.00 175.22 172.01 1isk s GLU 87 N 0.65 3.77 0.35 1.99 2.12 -1.26 -1.50 118.70 124.81 1isk s GLU 87 Ca -0.05 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.87 1isk s GLU 87 Cb -0.08 -3.42 0.07 0.00 0.26 0.00 0.00 34.13 30.96 1isk s GLU 87 CO -0.02 -0.16 0.48 0.66 -0.54 0.00 0.00 175.26 175.68 1isk n TYR 88 N 4.88 -2.95 -1.52 5.30 4.01 0.15 -4.89 117.16 122.14 1isk n TYR 88 Ca -0.16 -0.98 -0.14 0.00 -0.16 0.00 0.00 57.90 56.46 1isk n TYR 88 Cb 0.52 -0.34 -0.11 0.00 -0.31 0.00 0.00 39.34 39.10 1isk n TYR 88 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1isk n GLN 89 N -1.84 0.34 -3.10 -0.72 10.64 -1.26 -1.07 117.38 120.36 1isk n GLN 89 Ca 0.09 -0.76 -0.14 0.00 -1.83 0.00 0.00 57.00 54.36 1isk n GLN 89 Cb 0.31 -3.03 0.05 0.00 -0.86 0.00 0.00 30.24 26.71 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1isk n GLY 90 N 6.31 0.06 3.43 2.61 0.00 -1.26 -5.02 105.19 111.31 1isk n GLY 90 Ca 0.48 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 1isk n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isk s ARG 91 N -5.64 1.24 -0.12 1.61 0.52 -0.23 -4.95 118.95 111.38 1isk s ARG 91 Ca 0.30 -0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 54.67 1isk s ARG 91 Cb -0.13 0.50 0.06 0.00 0.52 0.00 0.00 34.95 35.89 1isk s ARG 91 CO 0.43 -0.51 0.25 0.15 0.02 0.00 0.00 175.30 175.64 1isk s LYS 92 N -3.84 0.17 0.08 3.54 1.02 0.10 0.34 119.74 121.14 1isk s LYS 92 Ca 0.07 0.64 0.02 0.00 0.02 0.00 0.00 55.97 56.73 1isk s LYS 92 Cb 0.00 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1isk s LYS 92 CO -0.07 -0.23 -0.08 0.99 -0.92 0.00 0.00 175.35 175.04 1isk s THR 93 N 1.88 0.71 -0.17 2.17 2.01 -0.57 0.26 115.64 121.93 1isk s THR 93 Ca -0.04 -1.51 -0.02 0.00 0.31 0.00 0.00 61.69 60.43 1isk s THR 93 Cb -0.11 -1.17 0.05 0.00 0.01 0.00 0.00 72.50 71.28 1isk s THR 93 CO -0.08 -0.59 0.00 0.54 -0.69 0.00 0.00 174.62 173.80 1isk s VAL 94 N -2.40 0.72 0.07 3.82 0.11 0.09 -1.59 120.40 121.24 1isk s VAL 94 Ca 0.01 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1isk s VAL 94 Cb -0.03 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1isk s VAL 94 CO -0.01 -0.03 0.27 -0.69 -3.33 0.00 0.00 175.10 171.31 1isk s VAL 95 N 1.79 5.30 -0.55 2.04 1.01 -0.23 -0.87 120.40 128.89 1isk s VAL 95 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1isk s VAL 95 Cb -0.16 -3.61 0.26 0.00 0.00 0.00 0.00 36.38 32.87 1isk s VAL 95 CO -0.07 0.16 0.70 0.00 0.00 0.00 0.00 175.10 175.88 1isk n ALA 96 N 0.41 3.58 -1.54 5.51 0.00 -0.14 0.10 120.51 128.44 1isk n ALA 96 Ca -0.06 -4.33 -0.29 0.00 0.00 0.00 0.00 53.44 48.76 1isk n ALA 96 Cb 0.52 -0.86 0.14 0.00 0.00 0.00 0.00 19.45 19.24 1isk n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1isk s PRO 97 N -2.19 1.10 -0.23 0.00 0.04 -0.93 -4.71 135.00 128.08 1isk s PRO 97 Ca 0.39 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.68 1isk s PRO 97 Cb 0.17 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.89 1isk s PRO 97 CO -0.05 -2.22 -0.08 0.42 0.04 0.00 0.00 177.00 175.11 1isk s ILE 98 N -3.29 2.91 -0.16 0.56 1.01 -0.39 -1.58 121.20 120.26 1isk s ILE 98 Ca 0.64 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 1isk s ILE 98 Cb -0.14 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1isk s ILE 98 CO 0.53 0.32 0.62 -1.81 0.00 0.00 0.00 174.94 174.60 1isk s ASP 99 N 1.37 6.74 -0.30 3.58 -0.00 0.12 -0.36 116.67 127.83 1isk s ASP 99 Ca 0.03 0.90 0.03 0.00 -0.00 0.00 0.00 52.55 53.51 1isk s ASP 99 Cb -0.15 -2.35 0.08 0.00 -0.00 0.00 0.00 42.92 40.50 1isk s ASP 99 CO -0.05 -0.20 -0.01 -2.28 -0.00 0.00 0.00 175.17 172.63 1isk s HIS 100 N 1.48 3.29 0.29 4.23 5.65 0.88 -0.46 115.29 130.66 1isk s HIS 100 Ca 0.30 -2.54 0.05 0.00 0.25 0.00 0.00 55.06 53.13 1isk s HIS 100 Cb -0.16 -2.34 -0.02 0.00 -1.18 0.00 0.00 32.58 28.88 1isk s HIS 100 CO 0.12 -0.90 0.42 -0.06 -0.65 0.00 0.00 174.74 173.67 1isk s PHE 101 N 1.08 3.29 -0.09 3.88 0.08 -0.21 -0.99 117.98 125.02 1isk s PHE 101 Ca 0.02 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.99 1isk s PHE 101 Cb -0.19 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1isk s PHE 101 CO -0.08 0.21 -0.13 0.50 -0.10 0.00 0.00 175.22 175.62 1isk s ARG 102 N -4.09 1.86 -0.29 0.44 3.52 -0.20 -1.05 118.95 119.15 1isk s ARG 102 Ca 0.40 -0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 55.50 1isk s ARG 102 Cb -0.09 -1.60 0.02 0.00 -1.56 0.00 0.00 34.95 31.72 1isk s ARG 102 CO 0.30 -0.04 0.04 -0.06 -0.81 0.00 0.00 175.30 174.73 1isk s PHE 103 N 0.90 3.15 0.00 5.12 0.08 -0.50 -1.54 117.98 125.19 1isk s PHE 103 Ca -0.10 -1.30 0.00 0.00 0.12 0.00 0.00 56.93 55.66 1isk s PHE 103 Cb -0.15 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1isk s PHE 103 CO 0.01 -0.67 0.00 0.27 -0.10 0.00 0.00 175.22 174.73 1isk n ASN 104 N 4.78 0.00 -1.25 1.36 6.94 0.12 -4.78 115.26 122.43 1isk n ASN 104 Ca -0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.27 1isk n ASN 104 Cb 0.47 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.88 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1isk n GLY 105 N -0.22 -0.41 4.39 4.83 0.00 -1.20 0.18 105.19 112.76 1isk n GLY 105 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1isk n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk n ALA 106 N 0.09 -1.37 -4.36 4.61 0.00 -1.26 0.55 120.51 118.78 1isk n ALA 106 Ca 0.05 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 1isk n ALA 106 Cb 0.06 -2.55 -0.09 0.00 0.00 0.00 0.00 19.45 16.87 1isk n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isk n GLY 107 N -1.41 -0.20 2.56 0.00 0.00 0.47 -4.84 105.19 101.76 1isk n GLY 107 Ca 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1isk n GLY 107 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1isk n LYS 108 N -4.44 0.48 -1.99 1.61 2.85 0.19 -4.88 118.16 111.98 1isk n LYS 108 Ca -0.20 -1.06 -0.42 0.00 -1.05 0.00 0.00 58.31 55.58 1isk n LYS 108 Cb 0.63 1.41 -0.03 0.00 -0.65 0.00 0.00 35.03 36.39 1isk n LYS 108 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1isk s VAL 109 N -2.26 2.83 -0.00 0.58 1.01 -1.26 0.12 120.40 121.42 1isk s VAL 109 Ca 0.15 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1isk s VAL 109 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1isk s VAL 109 CO 0.04 0.04 0.65 0.52 0.00 0.00 0.00 175.10 176.35 1isk n VAL 110 N 4.05 0.27 -3.62 2.92 0.31 -0.59 0.13 118.33 121.81 1isk n VAL 110 Ca 0.14 -0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 64.03 1isk n VAL 110 Cb 0.40 0.84 -0.07 0.00 -0.91 0.00 0.00 33.84 34.09 1isk n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1isk s SER 111 N -0.33 -0.57 -0.29 4.52 0.15 -1.20 -1.05 113.70 114.94 1isk s SER 111 Ca 0.00 0.79 0.03 0.00 0.70 0.00 0.00 55.95 57.48 1isk s SER 111 Cb 0.00 0.76 0.19 0.00 -1.71 0.00 0.00 66.02 65.27 1isk s SER 111 CO 0.00 -0.43 0.57 0.00 1.20 0.00 0.00 173.24 174.58 1isk s MET 112 N -0.65 0.55 0.46 5.44 0.23 0.12 -1.03 119.30 124.40 1isk s MET 112 Ca -0.07 0.67 0.05 0.00 -1.03 0.00 0.00 55.69 55.31 1isk s MET 112 Cb -0.03 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 1isk s MET 112 CO 0.06 -0.89 0.09 1.03 -2.03 0.00 0.00 175.02 173.28 1isk s ARG 113 N 2.81 2.14 0.06 3.16 0.52 -0.16 -0.57 118.95 126.91 1isk s ARG 113 Ca 0.14 -2.13 -0.04 0.00 -0.52 0.00 0.00 55.73 53.18 1isk s ARG 113 Cb -0.12 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 1isk s ARG 113 CO -0.24 -0.23 0.06 0.00 0.02 0.00 0.00 175.30 174.91 1isk s ALA 114 N -2.74 0.21 -0.25 2.13 0.00 -0.17 -0.08 121.76 120.86 1isk s ALA 114 Ca 0.27 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1isk s ALA 114 Cb 0.04 0.35 0.09 0.00 0.00 0.00 0.00 23.12 23.60 1isk s ALA 114 CO 0.15 -0.42 0.13 -0.51 0.00 0.00 0.00 175.76 175.11 1isk s LEU 115 N -2.86 0.41 -0.16 0.00 1.02 0.51 -4.19 118.68 113.40 1isk s LEU 115 Ca 0.06 -1.01 -0.01 0.00 0.02 0.00 0.00 54.13 53.19 1isk s LEU 115 Cb 0.06 -0.24 -0.01 0.00 0.02 0.00 0.00 46.19 46.03 1isk s LEU 115 CO -0.10 -0.41 -0.12 0.72 0.02 0.00 0.00 176.35 176.46 1isk s PHE 116 N 2.14 2.84 0.18 0.29 -0.71 -1.26 -1.26 117.98 120.19 1isk s PHE 116 Ca 0.07 -0.93 -0.00 0.00 -1.04 0.00 0.00 56.93 55.02 1isk s PHE 116 Cb -0.16 -1.93 0.04 0.00 -1.21 0.00 0.00 43.02 39.76 1isk s PHE 116 CO -0.27 -0.43 0.25 0.41 -1.34 0.00 0.00 175.22 173.84 1isk n GLY 117 N 4.11 0.54 0.70 1.99 0.00 -1.26 -4.97 105.19 106.30 1isk n GLY 117 Ca -0.19 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 43.96 1isk n GLY 117 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1isk n GLU 118 N -1.47 2.02 -0.01 1.61 0.28 -1.26 -4.25 120.64 117.56 1isk n GLU 118 Ca 0.04 -1.83 0.01 0.00 -0.16 0.00 0.00 57.16 55.22 1isk n GLU 118 Cb 0.14 -1.31 0.01 0.00 1.43 0.00 0.00 31.44 31.72 1isk n GLU 118 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1isk n LYS 119 N 0.79 2.60 -1.41 3.44 -0.00 -1.26 -4.61 118.16 117.70 1isk n LYS 119 Ca 0.12 -1.54 -0.11 0.00 -0.00 0.00 0.00 58.31 56.77 1isk n LYS 119 Cb 0.42 -1.02 0.10 0.00 -0.00 0.00 0.00 35.03 34.54 1isk n LYS 119 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1isk n ASN 120 N -0.56 3.54 -4.12 -5.58 2.85 -1.26 -5.01 115.26 105.11 1isk n ASN 120 Ca 0.02 -3.82 -0.17 0.00 -0.11 0.00 0.00 54.58 50.50 1isk n ASN 120 Cb 0.31 -0.42 -0.12 0.00 1.24 0.00 0.00 39.78 40.79 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1isk s ILE 121 N -4.01 0.90 -0.27 -1.44 1.09 -1.26 -0.96 121.20 115.25 1isk s ILE 121 Ca 0.45 -1.15 -0.00 0.00 -1.10 0.00 0.00 60.65 58.85 1isk s ILE 121 Cb 0.39 -0.89 0.08 0.00 -1.06 0.00 0.00 42.46 40.99 1isk s ILE 121 CO -0.01 -0.23 0.04 -1.00 -0.10 0.00 0.00 174.94 173.65 1isk s HIS 122 N -1.20 1.89 0.35 3.97 3.76 -0.05 -4.95 115.29 119.07 1isk s HIS 122 Ca -0.04 -1.65 -0.02 0.00 -0.15 0.00 0.00 55.06 53.21 1isk s HIS 122 Cb -0.09 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1isk s HIS 122 CO 0.01 -0.80 0.58 0.00 -0.85 0.00 0.00 174.74 173.69 1isk s ALA 123 N 1.56 3.64 0.00 -1.40 0.00 -1.26 -0.73 121.76 123.56 1isk s ALA 123 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1isk s ALA 123 Cb -0.18 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1isk s ALA 123 CO -0.15 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1isk n GLY 124 N -1.65 -0.29 0.00 0.00 0.00 0.14 -4.95 105.19 98.45 1isk n GLY 124 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32