#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 0.00 -4.27 7.83 2.85 -1.26 -4.72 115.26 115.69 1isk n ASN 2 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 1isk n ASN 2 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 1isk n ASN 2 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1isk s THR 3 N 0.00 1.46 0.21 -0.44 -4.23 -1.26 -4.88 115.64 106.49 1isk s THR 3 Ca 0.00 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1isk s THR 3 Cb 0.00 -1.67 -0.10 0.00 1.34 0.00 0.00 72.50 72.07 1isk s THR 3 CO 0.00 -0.44 1.47 1.55 -0.54 0.00 0.00 174.62 176.67 1isk h PRO 4 N 3.32 0.06 -0.25 3.99 0.13 -1.96 -1.31 132.00 135.98 1isk h PRO 4 Ca -0.40 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1isk h PRO 4 Cb 1.20 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1isk h PRO 4 CO 0.53 0.80 -0.01 1.49 -0.23 0.00 0.00 178.00 180.58 1isk h GLU 5 N 0.04 0.45 -0.10 0.86 4.81 -1.98 0.16 114.58 118.82 1isk h GLU 5 Ca -0.02 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1isk h GLU 5 Cb 1.36 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 1isk h GLU 5 CO 0.11 0.63 -0.09 1.25 -0.73 0.00 0.00 179.01 180.17 1isk h HIS 6 N 0.22 0.28 0.20 0.92 2.76 -1.98 0.02 115.15 117.57 1isk h HIS 6 Ca 0.07 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1isk h HIS 6 Cb 0.43 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 1isk h HIS 6 CO 0.04 0.64 -0.26 0.52 -1.30 0.00 0.00 177.93 177.57 1isk h MET 7 N -0.16 -0.49 -0.69 5.26 2.86 -1.22 0.26 114.93 120.74 1isk h MET 7 Ca 0.02 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1isk h MET 7 Cb 0.59 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1isk h MET 7 CO 0.02 -0.33 0.39 1.15 1.06 0.00 0.00 176.91 179.21 1isk h THR 8 N -0.51 1.20 -0.41 2.22 2.02 -0.73 -0.04 112.91 116.66 1isk h THR 8 Ca 0.01 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1isk h THR 8 Cb 0.50 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1isk h THR 8 CO -0.10 0.22 0.22 0.00 0.37 0.00 0.00 175.52 176.23 1isk h ALA 9 N 1.47 0.53 -0.37 6.16 0.00 -0.32 0.20 119.26 126.93 1isk h ALA 9 Ca 0.25 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1isk h ALA 9 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1isk h ALA 9 CO -0.04 0.06 -0.01 0.28 0.00 0.00 0.00 179.25 179.54 1isk h VAL 10 N 0.53 1.21 0.10 0.00 2.07 0.17 0.16 116.25 120.50 1isk h VAL 10 Ca 0.14 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1isk h VAL 10 Cb 0.07 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1isk h VAL 10 CO -0.02 0.30 -0.05 0.58 0.02 0.00 0.00 177.57 178.39 1isk h VAL 11 N 0.56 1.05 -0.35 2.57 2.07 -0.23 0.34 116.25 122.27 1isk h VAL 11 Ca 0.12 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1isk h VAL 11 Cb 0.37 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1isk h VAL 11 CO 0.01 0.14 0.23 -0.61 0.02 0.00 0.00 177.57 177.36 1isk h GLN 12 N -0.41 0.46 -0.61 1.57 4.15 -0.37 -1.20 115.11 118.70 1isk h GLN 12 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1isk h GLN 12 Cb 0.34 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1isk h GLN 12 CO 0.02 0.30 0.34 -0.09 -1.93 0.00 0.00 178.83 177.48 1isk h ARG 13 N 0.47 0.84 -0.22 1.69 1.12 -0.62 -1.29 114.38 116.37 1isk h ARG 13 Ca 0.13 -0.09 0.04 0.00 -1.11 0.00 0.00 59.98 58.94 1isk h ARG 13 Cb -0.05 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 29.70 1isk h ARG 13 CO -0.03 0.63 -0.02 -0.92 -3.11 0.00 0.00 179.97 176.52 1isk h TYR 14 N 0.82 -0.05 0.64 2.20 3.20 0.13 -0.21 116.97 123.71 1isk h TYR 14 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1isk h TYR 14 Cb 0.03 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1isk h TYR 14 CO -0.01 -0.06 -0.37 0.28 -1.64 0.00 0.00 178.16 176.36 1isk h VAL 15 N 0.04 0.00 -1.13 1.81 2.07 -0.96 0.21 116.25 118.29 1isk h VAL 15 Ca 0.11 0.00 0.40 0.00 0.82 0.00 0.00 66.70 68.02 1isk h VAL 15 Cb 0.14 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.77 1isk h VAL 15 CO -0.20 0.00 0.68 0.00 0.02 0.00 0.00 177.57 178.07 1isk h ALA 16 N -1.40 2.34 -0.16 1.67 0.00 -1.11 1.58 119.26 122.19 1isk h ALA 16 Ca -0.09 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1isk h ALA 16 Cb 0.75 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1isk h ALA 16 CO 0.10 -1.01 -0.07 0.00 0.00 0.00 0.00 179.25 178.27 1isk h ALA 17 N 1.79 0.22 0.60 0.00 0.00 -0.26 0.39 119.26 122.01 1isk h ALA 17 Ca 0.80 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1isk h ALA 17 Cb 2.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1isk h ALA 17 CO -0.58 0.02 -0.39 1.25 0.00 0.00 0.00 179.25 179.56 1isk h LEU 18 N -0.00 -0.99 -0.90 0.00 5.85 0.53 0.17 115.31 119.97 1isk h LEU 18 Ca 0.04 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1isk h LEU 18 Cb 0.54 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 1isk h LEU 18 CO 0.02 -0.60 0.57 -1.13 -0.34 0.00 0.00 178.44 176.97 1isk h ASN 19 N -0.94 0.92 0.09 1.25 -1.24 -0.29 0.39 115.58 115.77 1isk h ASN 19 Ca -0.07 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1isk h ASN 19 Cb 0.77 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.63 1isk h ASN 19 CO 0.06 0.61 0.00 0.00 -1.29 0.00 0.00 177.43 176.81 1isk h ALA 20 N 1.40 1.00 0.00 1.57 0.00 0.31 -3.45 119.26 120.10 1isk h ALA 20 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1isk h ALA 20 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1isk h ALA 20 CO -0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1isk n GLY 21 N -1.02 0.67 3.41 0.00 0.00 0.14 -4.92 105.19 103.46 1isk n GLY 21 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1isk n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1isk n ASP 22 N 0.00 2.10 0.39 1.61 10.43 0.40 -4.68 116.55 126.81 1isk n ASP 22 Ca 0.00 -2.61 -0.19 0.00 2.57 0.00 0.00 54.79 54.56 1isk n ASP 22 Cb 0.00 -1.25 -0.10 0.00 1.84 0.00 0.00 41.12 41.61 1isk n ASP 22 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1isk h LEU 23 N 17.47 -1.32 0.08 0.64 7.12 -1.91 0.37 115.31 137.77 1isk h LEU 23 Ca 0.25 0.09 -0.00 0.00 0.13 0.00 0.00 57.88 58.34 1isk h LEU 23 Cb 0.81 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1isk h LEU 23 CO 1.61 -0.74 -0.04 0.44 -0.13 0.00 0.00 178.44 179.58 1isk h ASP 24 N -1.16 -0.09 -0.93 1.25 3.32 -1.98 -1.21 116.42 115.62 1isk h ASP 24 Ca -0.09 -0.06 0.24 0.00 0.02 0.00 0.00 57.03 57.13 1isk h ASP 24 Cb 0.95 0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 1isk h ASP 24 CO 0.05 0.00 0.44 1.23 -1.72 0.00 0.00 179.24 179.24 1isk h GLY 25 N -0.18 1.65 0.73 2.75 0.00 -1.90 0.45 103.07 106.58 1isk h GLY 25 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1isk h GLY 25 CO 0.02 -0.29 -0.01 -2.22 0.00 0.00 0.00 176.54 174.04 1isk h ILE 26 N 0.41 1.26 0.00 2.60 2.04 0.20 0.59 117.51 124.61 1isk h ILE 26 Ca 0.59 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1isk h ILE 26 Cb 1.16 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1isk h ILE 26 CO -0.54 0.24 0.00 0.58 0.00 0.00 0.00 178.15 178.43 1isk h VAL 27 N -0.13 0.00 0.00 1.67 2.07 0.52 0.24 116.25 120.62 1isk h VAL 27 Ca 0.02 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1isk h VAL 27 Cb 0.37 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1isk h VAL 27 CO 0.01 0.00 -1.72 0.00 0.02 0.00 0.00 177.57 175.88 1isk n ALA 28 N -2.03 2.41 -0.36 1.67 0.00 0.13 -4.15 120.51 118.18 1isk n ALA 28 Ca -0.02 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 52.92 1isk n ALA 28 Cb 0.08 -0.79 0.24 0.00 0.00 0.00 0.00 19.45 18.98 1isk n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1isk h LEU 29 N 0.00 0.91-10.21 0.00 6.46 0.37 -3.43 115.31 109.41 1isk h LEU 29 Ca -0.11 0.05 -0.62 0.00 -0.12 0.00 0.00 57.88 57.08 1isk h LEU 29 Cb 1.28 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 40.99 1isk h LEU 29 CO 0.01 0.47 -0.40 0.72 -0.62 0.00 0.00 178.44 178.63 1isk s PHE 30 N -5.96 1.76 1.03 1.25 -0.12 -1.19 -4.94 117.98 109.81 1isk s PHE 30 Ca -0.12 -0.88 -0.22 0.00 -0.05 0.00 0.00 56.93 55.66 1isk s PHE 30 Cb 0.22 -1.79 -0.08 0.00 -0.63 0.00 0.00 43.02 40.74 1isk s PHE 30 CO 0.81 -0.16 -0.80 0.00 -0.05 0.00 0.00 175.22 175.02 1isk n ALA 31 N -1.54 -4.99 0.35 1.99 0.00 -0.92 -4.89 120.51 110.51 1isk n ALA 31 Ca -0.09 -1.15 0.11 0.00 0.00 0.00 0.00 53.44 52.31 1isk n ALA 31 Cb 0.65 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1isk n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1isk n ASP 32 N 1.60 0.56 -0.37 0.00 5.75 -1.26 -3.93 116.55 118.90 1isk n ASP 32 Ca -0.00 -0.05 0.09 0.00 -0.01 0.00 0.00 54.79 54.82 1isk n ASP 32 Cb 0.66 0.94 0.18 0.00 -1.03 0.00 0.00 41.12 41.87 1isk n ASP 32 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1isk n ASP 33 N -2.19 2.89 -4.71 -1.12 5.68 -1.26 0.19 116.55 116.03 1isk n ASP 33 Ca 0.00 -3.00 -0.32 0.00 -0.50 0.00 0.00 54.79 50.98 1isk n ASP 33 Cb 0.49 -0.45 0.13 0.00 -1.14 0.00 0.00 41.12 40.15 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1isk s ALA 34 N -2.75 1.84 -0.18 2.12 0.00 -1.25 -3.82 121.76 117.72 1isk s ALA 34 Ca 0.34 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1isk s ALA 34 Cb 0.29 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1isk s ALA 34 CO 0.05 -2.28 -0.09 0.95 0.00 0.00 0.00 175.76 174.39 1isk s THR 35 N -2.60 3.12 0.23 0.00 -4.23 -0.44 -1.41 115.64 110.31 1isk s THR 35 Ca 0.66 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.63 1isk s THR 35 Cb -0.22 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1isk s THR 35 CO 0.55 0.48 0.27 -0.69 -0.54 0.00 0.00 174.62 174.68 1isk s VAL 36 N 1.01 4.87 -0.48 2.29 1.01 0.94 -1.00 120.40 129.04 1isk s VAL 36 Ca -0.01 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.89 1isk s VAL 36 Cb -0.15 -3.62 0.22 0.00 0.00 0.00 0.00 36.38 32.84 1isk s VAL 36 CO -0.01 -0.31 0.76 1.21 0.00 0.00 0.00 175.10 176.75 1isk n GLU 37 N -1.18 0.67 -3.88 2.72 4.07 0.39 -0.29 120.64 123.14 1isk n GLU 37 Ca -0.08 -2.12 -0.11 0.00 -0.06 0.00 0.00 57.16 54.79 1isk n GLU 37 Cb 0.57 -1.45 -0.10 0.00 -0.06 0.00 0.00 31.44 30.40 1isk n GLU 37 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1isk s ASP 38 N -0.83 0.05 -0.04 4.31 -1.08 -1.26 -0.47 116.67 117.34 1isk s ASP 38 Ca 0.32 -0.24 -0.06 0.00 -0.52 0.00 0.00 52.55 52.05 1isk s ASP 38 Cb 0.15 0.20 -0.04 0.00 -1.46 0.00 0.00 42.92 41.77 1isk s ASP 38 CO -0.17 -0.37 0.35 1.55 0.52 0.00 0.00 175.17 177.05 1isk h PRO 39 N 4.29 -0.22 0.00 4.34 0.13 -1.98 -3.48 132.00 135.07 1isk h PRO 39 Ca -0.31 0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 1isk h PRO 39 Cb 1.19 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1isk h PRO 39 CO 0.41 -0.15 -0.02 0.28 -0.23 0.00 0.00 178.00 178.29 1isk n VAL 40 N -4.03 0.00 0.00 1.56 0.31 -1.26 -3.35 118.33 111.56 1isk n VAL 40 Ca -0.03 -0.87 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1isk n VAL 40 Cb 0.09 0.60 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 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 -0.32 1.04 1.94 2.92 0.00 -1.26 -4.98 105.19 104.53 1isk n GLY 41 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1isk n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isk n SER 42 N 0.00 -7.05 -1.60 1.61 3.41 -1.26 -5.02 113.62 103.71 1isk n SER 42 Ca 0.00 1.17 -0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1isk n SER 42 Cb 0.00 -3.28 0.00 0.00 -0.26 0.00 0.00 64.21 60.68 1isk n SER 42 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1isk n GLU 43 N -3.52 -0.14 -1.54 4.33 1.02 -1.26 -5.01 120.64 114.52 1isk n GLU 43 Ca 0.01 0.60 -0.29 0.00 -0.02 0.00 0.00 57.16 57.46 1isk n GLU 43 Cb 0.49 -1.81 0.13 0.00 -0.02 0.00 0.00 31.44 30.24 1isk n GLU 43 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1isk s PRO 44 N -1.83 1.25 -0.12 3.49 0.04 -1.26 -4.91 135.00 131.66 1isk s PRO 44 Ca 0.01 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.38 1isk s PRO 44 Cb -0.00 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1isk s PRO 44 CO 0.06 -2.13 -0.06 -0.98 0.04 0.00 0.00 177.00 173.92 1isk s ARG 45 N -5.26 1.40 -0.15 4.56 3.03 0.60 -4.95 118.95 118.18 1isk s ARG 45 Ca 0.63 -0.25 -0.05 0.00 2.03 0.00 0.00 55.73 58.10 1isk s ARG 45 Cb -0.15 -1.58 -0.03 0.00 -1.03 0.00 0.00 34.95 32.16 1isk s ARG 45 CO 0.53 -0.30 0.01 -1.54 -1.13 0.00 0.00 175.30 172.88 1isk s SER 46 N 1.73 5.23 0.00 -2.89 1.04 -1.26 -0.04 113.70 117.51 1isk s SER 46 Ca 0.04 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1isk s SER 46 Cb -0.13 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1isk s SER 46 CO -0.08 0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1isk n GLY 47 N 3.16 2.86 0.40 7.32 0.00 -0.50 -4.48 105.19 113.95 1isk n GLY 47 Ca -0.17 -1.30 0.18 0.00 0.00 0.00 0.00 46.02 44.72 1isk n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk h THR 48 N 0.00 0.13 0.04 2.61 1.03 0.18 0.64 112.91 117.54 1isk h THR 48 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1isk h THR 48 Cb 0.00 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 67.47 1isk h THR 48 CO 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 175.52 175.49 1isk h ALA 49 N 0.98 -0.05 -0.22 0.00 0.00 -1.87 0.30 119.26 118.39 1isk h ALA 49 Ca 0.20 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1isk h ALA 49 Cb 1.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1isk h ALA 49 CO -0.00 -0.31 -0.46 0.00 0.00 0.00 0.00 179.25 178.48 1isk h ALA 50 N 0.44 0.79 0.27 0.00 0.00 -0.11 -0.12 119.26 120.53 1isk h ALA 50 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1isk h ALA 50 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1isk h ALA 50 CO 0.01 0.66 -0.13 0.82 0.00 0.00 0.00 179.25 180.61 1isk h ILE 51 N 0.45 0.00 -0.99 0.00 2.04 -0.55 -0.96 117.51 117.50 1isk h ILE 51 Ca 0.03 -0.07 0.19 0.00 1.00 0.00 0.00 64.86 66.01 1isk h ILE 51 Cb 0.97 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.96 1isk h ILE 51 CO 0.09 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.76 1isk h ARG 52 N -0.44 0.65 -0.16 2.37 1.12 -0.47 0.40 114.38 117.85 1isk h ARG 52 Ca -0.04 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.82 1isk h ARG 52 Cb 0.28 -0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.07 1isk h ARG 52 CO 0.06 0.43 -0.02 0.93 -3.11 0.00 0.00 179.97 178.26 1isk h GLU 53 N 0.67 0.02 0.33 0.20 5.08 -0.94 0.41 114.58 120.35 1isk h GLU 53 Ca 0.55 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.90 1isk h GLU 53 Cb 0.98 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1isk h GLU 53 CO -0.33 0.01 -0.16 0.35 -1.00 0.00 0.00 179.01 177.89 1isk h PHE 54 N 0.02 -0.41 -1.01 4.33 3.57 0.44 -1.24 116.94 122.65 1isk h PHE 54 Ca 0.08 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.87 1isk h PHE 54 Cb 0.11 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 38.84 1isk h PHE 54 CO -0.18 -0.25 0.58 1.88 -2.23 0.00 0.00 178.31 178.11 1isk h TYR 55 N -0.86 0.95 0.16 0.41 0.05 -0.34 0.26 116.97 117.60 1isk h TYR 55 Ca -0.05 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1isk h TYR 55 Cb 0.34 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1isk h TYR 55 CO 0.03 -0.11 -0.08 0.00 -1.05 0.00 0.00 178.16 176.95 1isk h ALA 56 N 1.81 -0.22 -0.34 3.88 0.00 -0.23 -0.89 119.26 123.28 1isk h ALA 56 Ca 0.71 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.54 1isk h ALA 56 Cb 1.56 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1isk h ALA 56 CO -0.57 -0.44 0.41 -0.91 0.00 0.00 0.00 179.25 177.74 1isk h ASN 57 N -0.59 0.00 0.13 0.00 2.35 0.62 0.18 115.58 118.28 1isk h ASN 57 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1isk h ASN 57 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1isk h ASN 57 CO 0.04 0.00 -0.06 0.77 -1.65 0.00 0.00 177.43 176.52 1isk h SER 58 N 0.00 -0.15 0.00 5.81 4.64 -0.27 -3.23 113.55 120.35 1isk h SER 58 Ca 0.16 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1isk h SER 58 Cb 0.98 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1isk h SER 58 CO -0.00 0.24 0.31 -0.07 -0.87 0.00 0.00 176.83 176.44 1isk h LEU 59 N -0.89 0.00 -1.95 5.97 4.07 -0.30 -1.48 115.31 120.73 1isk h LEU 59 Ca -0.02 0.00 0.57 0.00 0.08 0.00 0.00 57.88 58.51 1isk h LEU 59 Cb 0.14 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.80 1isk h LEU 59 CO 0.03 0.00 1.43 1.17 -1.08 0.00 0.00 178.44 179.99 1isk n LYS 60 N -2.87 0.00 -3.51 1.13 4.81 0.55 -4.08 118.16 114.18 1isk n LYS 60 Ca -0.02 1.08 -0.38 0.00 -0.87 0.00 0.00 58.31 58.12 1isk n LYS 60 Cb 0.35 -2.51 -0.06 0.00 0.02 0.00 0.00 35.03 32.83 1isk n LYS 60 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1isk s LEU 61 N -7.78 4.46 -0.61 3.14 2.96 -0.56 -4.96 118.68 115.32 1isk s LEU 61 Ca -0.05 0.92 -0.06 0.00 -0.22 0.00 0.00 54.13 54.72 1isk s LEU 61 Cb 0.26 -2.56 -0.14 0.00 0.50 0.00 0.00 46.19 44.26 1isk s LEU 61 CO 0.88 0.31 2.66 -0.81 -1.32 0.00 0.00 176.35 178.07 1isk n PRO 62 N 1.96 2.14 -1.23 0.98 -0.04 -1.26 -4.86 135.00 132.69 1isk n PRO 62 Ca -0.14 -1.26 -0.14 0.00 -0.04 0.00 0.00 63.50 61.92 1isk n PRO 62 Cb 0.52 -2.24 0.09 0.00 -0.04 0.00 0.00 33.50 31.84 1isk n PRO 62 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1isk n LEU 63 N 3.28 0.00 -3.56 1.53 -0.00 -1.26 -4.66 117.00 112.33 1isk n LEU 63 Ca 0.46 -0.89 -0.29 0.00 -0.00 0.00 0.00 56.01 55.29 1isk n LEU 63 Cb 0.43 -0.46 -0.15 0.00 -0.00 0.00 0.00 43.42 43.25 1isk n LEU 63 CO 0.46 -0.91 -0.33 0.00 -0.00 0.00 0.00 177.39 176.62 1isk s ALA 64 N -3.61 0.83 -0.01 1.47 0.00 0.18 -4.96 121.76 115.67 1isk s ALA 64 Ca 0.38 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 1isk s ALA 64 Cb -0.01 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 1isk s ALA 64 CO 0.26 -1.73 0.38 0.08 0.00 0.00 0.00 175.76 174.75 1isk s VAL 65 N 1.84 5.08 -0.29 0.00 1.01 -1.26 -1.45 120.40 125.33 1isk s VAL 65 Ca 0.11 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.68 1isk s VAL 65 Cb -0.17 -3.68 0.16 0.00 0.00 0.00 0.00 36.38 32.69 1isk s VAL 65 CO -0.29 0.57 1.06 -0.70 0.00 0.00 0.00 175.10 175.73 1isk s GLU 66 N -1.12 0.29 1.00 2.72 2.12 -0.55 -4.12 118.70 119.04 1isk s GLU 66 Ca 0.23 0.50 -0.12 0.00 0.36 0.00 0.00 54.97 55.95 1isk s GLU 66 Cb -0.16 0.06 0.19 0.00 0.26 0.00 0.00 34.13 34.48 1isk s GLU 66 CO 0.13 -0.06 1.08 -0.48 -0.54 0.00 0.00 175.26 175.39 1isk s LEU 67 N 1.21 1.85 0.00 2.70 0.05 -1.26 -0.52 118.68 122.71 1isk s LEU 67 Ca -0.08 1.66 0.00 0.00 0.05 0.00 0.00 54.13 55.76 1isk s LEU 67 Cb -0.03 -3.87 0.00 0.00 -2.05 0.00 0.00 46.19 40.23 1isk s LEU 67 CO -0.13 -3.36 0.00 0.35 -0.55 0.00 0.00 176.35 172.66 1isk n THR 68 N -4.37 0.00 -3.51 5.48 -2.24 -1.23 -4.69 114.28 103.72 1isk n THR 68 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1isk n THR 68 Cb 0.54 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isk n GLN 69 N -1.93 0.00 -2.14 -0.78 0.00 -1.11 -5.09 117.38 106.34 1isk n GLN 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1isk n GLN 69 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.25 1isk n GLN 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1isk n GLU 70 N 0.00 -5.83 -2.79 2.61 4.71 -1.26 -1.68 120.64 116.40 1isk n GLU 70 Ca 0.00 4.10 -0.10 0.00 -0.01 0.00 0.00 57.16 61.15 1isk n GLU 70 Cb 0.00 -4.44 0.07 0.00 -1.01 0.00 0.00 31.44 26.06 1isk n GLU 70 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1isk n VAL 71 N 1.99 -0.03 -1.55 2.62 0.31 -1.24 -0.76 118.33 119.67 1isk n VAL 71 Ca 0.00 -1.86 -0.13 0.00 -0.01 0.00 0.00 64.34 62.34 1isk n VAL 71 Cb 0.00 1.26 -0.09 0.00 -0.91 0.00 0.00 33.84 34.10 1isk n VAL 71 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1isk n ARG 72 N 0.53 0.40 -3.33 5.55 3.00 0.82 -4.64 116.66 118.99 1isk n ARG 72 Ca 0.09 -1.03 -0.40 0.00 -0.01 0.00 0.00 57.85 56.49 1isk n ARG 72 Cb 0.68 -3.61 -0.09 0.00 0.00 0.00 0.00 32.46 29.44 1isk n ARG 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1isk s ALA 73 N 14.74 3.53 -0.25 7.54 0.00 -1.26 0.11 121.76 146.18 1isk s ALA 73 Ca 0.90 -0.92 -0.32 0.00 0.00 0.00 0.00 51.96 51.62 1isk s ALA 73 Cb -0.14 -2.84 0.17 0.00 0.00 0.00 0.00 23.12 20.31 1isk s ALA 73 CO 0.13 -0.91 1.28 0.54 0.00 0.00 0.00 175.76 176.80 1isk s VAL 74 N 2.18 0.00 -1.27 0.00 0.11 0.60 -4.80 120.40 117.22 1isk s VAL 74 Ca 0.16 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 1isk s VAL 74 Cb -0.16 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1isk s VAL 74 CO 0.11 0.00 0.76 0.00 -3.33 0.00 0.00 175.10 172.64 1isk n ALA 75 N 0.33 -2.05 -2.45 1.54 0.00 -1.26 -0.19 120.51 116.43 1isk n ALA 75 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1isk n ALA 75 Cb 0.58 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 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 -3.55 -4.42 0.00 5.03 -1.26 -4.87 115.26 103.12 1isk n ASN 76 Ca -0.28 0.23 -0.20 0.00 0.87 0.00 0.00 54.58 55.19 1isk n ASN 76 Cb 0.67 -3.04 -0.11 0.00 -1.02 0.00 0.00 39.78 36.29 1isk n ASN 76 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1isk s GLU 77 N -5.03 1.59 -0.29 3.52 2.02 0.73 0.11 118.70 121.35 1isk s GLU 77 Ca 0.00 -1.87 0.03 0.00 0.02 0.00 0.00 54.97 53.16 1isk s GLU 77 Cb -0.00 -0.77 0.18 0.00 0.10 0.00 0.00 34.13 33.65 1isk s GLU 77 CO 0.00 -0.19 0.53 0.00 0.02 0.00 0.00 175.26 175.63 1isk s ALA 78 N -3.37 -2.01 -0.71 5.21 0.00 0.23 -0.29 121.76 120.82 1isk s ALA 78 Ca 0.36 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 1isk s ALA 78 Cb 0.08 -2.32 0.19 0.00 0.00 0.00 0.00 23.12 21.06 1isk s ALA 78 CO 0.15 -1.71 0.63 0.00 0.00 0.00 0.00 175.76 174.84 1isk s ALA 79 N 2.75 3.87 0.22 0.00 0.00 0.12 -0.77 121.76 127.94 1isk s ALA 79 Ca 0.12 -3.10 0.06 0.00 0.00 0.00 0.00 51.96 49.04 1isk s ALA 79 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1isk s ALA 79 CO -0.26 -2.17 0.19 -0.59 0.00 0.00 0.00 175.76 172.93 1isk s PHE 80 N 0.51 3.15 -0.27 0.00 -0.71 0.67 -0.13 117.98 121.20 1isk s PHE 80 Ca 0.14 -0.07 -0.03 0.00 -1.04 0.00 0.00 56.93 55.93 1isk s PHE 80 Cb -0.17 -1.45 0.03 0.00 -1.21 0.00 0.00 43.02 40.22 1isk s PHE 80 CO -0.05 0.52 -0.02 0.00 -1.34 0.00 0.00 175.22 174.33 1isk s ALA 81 N -1.99 2.81 0.43 1.99 0.00 0.06 0.15 121.76 125.20 1isk s ALA 81 Ca 0.32 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1isk s ALA 81 Cb -0.09 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.21 1isk s ALA 81 CO 0.25 -0.95 0.22 1.97 0.00 0.00 0.00 175.76 177.24 1isk n PHE 82 N 4.70 -0.17 -4.48 0.00 -1.74 -0.55 -2.73 117.46 112.50 1isk n PHE 82 Ca -0.15 -1.93 -0.25 0.00 -0.56 0.00 0.00 57.45 54.55 1isk n PHE 82 Cb 0.46 -0.33 -0.10 0.00 1.52 0.00 0.00 39.48 41.03 1isk n PHE 82 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1isk s THR 83 N -2.30 2.39 -0.29 1.97 -4.23 0.32 -2.70 115.64 110.80 1isk s THR 83 Ca 0.16 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1isk s THR 83 Cb -0.01 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.38 1isk s THR 83 CO 0.10 -0.23 0.58 0.54 -0.54 0.00 0.00 174.62 175.08 1isk s VAL 84 N -2.57 -0.98 -0.11 2.29 0.11 0.40 -1.49 120.40 118.05 1isk s VAL 84 Ca 0.33 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.26 1isk s VAL 84 Cb 0.01 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1isk s VAL 84 CO 0.17 -0.01 0.22 -0.55 -3.33 0.00 0.00 175.10 171.60 1isk s SER 85 N 2.83 6.46 0.37 3.54 0.15 -0.53 -0.09 113.70 126.43 1isk s SER 85 Ca 0.16 0.54 0.05 0.00 0.70 0.00 0.00 55.95 57.41 1isk s SER 85 Cb -0.13 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 61.98 1isk s SER 85 CO -0.23 0.30 0.04 -0.36 1.20 0.00 0.00 173.24 174.19 1isk s PHE 86 N -0.54 2.22 -0.19 3.44 0.40 -0.06 0.50 117.98 123.74 1isk s PHE 86 Ca 0.16 -0.83 -0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1isk s PHE 86 Cb -0.13 -1.52 0.08 0.00 0.51 0.00 0.00 43.02 41.96 1isk s PHE 86 CO 0.05 0.21 0.16 -2.00 0.70 0.00 0.00 175.22 174.34 1isk s GLU 87 N -3.81 0.13 0.12 0.44 2.12 -1.26 -1.09 118.70 115.35 1isk s GLU 87 Ca 0.35 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.77 1isk s GLU 87 Cb 0.09 -1.48 0.02 0.00 0.26 0.00 0.00 34.13 33.02 1isk s GLU 87 CO 0.16 -0.66 0.16 0.98 -0.54 0.00 0.00 175.26 175.37 1isk n TYR 88 N 5.30 -3.10 -1.47 5.30 4.19 0.15 -4.87 117.16 122.67 1isk n TYR 88 Ca -0.06 -0.34 -0.12 0.00 3.31 0.00 0.00 57.90 60.69 1isk n TYR 88 Cb 0.49 -0.11 -0.10 0.00 0.49 0.00 0.00 39.34 40.11 1isk n TYR 88 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1isk n GLN 89 N -1.28 0.18 -2.90 2.98 6.02 -1.26 -1.17 117.38 119.95 1isk n GLN 89 Ca 0.03 -1.06 -0.09 0.00 -0.01 0.00 0.00 57.00 55.86 1isk n GLN 89 Cb 0.11 -3.13 0.03 0.00 1.02 0.00 0.00 30.24 28.27 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1isk n GLY 90 N 5.95 0.34 3.48 1.08 0.00 -1.26 -5.04 105.19 109.75 1isk n GLY 90 Ca 0.37 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.44 1.33 0.09 1.61 0.52 -0.31 -4.89 118.95 111.85 1isk s ARG 91 Ca 0.21 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 1isk s ARG 91 Cb -0.09 0.48 0.01 0.00 0.52 0.00 0.00 34.95 35.87 1isk s ARG 91 CO 0.29 -0.54 0.27 -1.59 0.02 0.00 0.00 175.30 173.75 1isk s LYS 92 N -3.91 0.90 0.20 3.54 0.00 -0.32 0.33 119.74 120.48 1isk s LYS 92 Ca 0.12 -0.79 -0.13 0.00 0.00 0.00 0.00 55.97 55.18 1isk s LYS 92 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 37.83 38.22 1isk s LYS 92 CO -0.01 -0.31 0.43 0.99 0.00 0.00 0.00 175.35 176.45 1isk s THR 93 N -3.55 0.03 -0.31 3.79 2.01 -0.25 -1.13 115.64 116.23 1isk s THR 93 Ca 0.02 -1.17 -0.01 0.00 0.31 0.00 0.00 61.69 60.84 1isk s THR 93 Cb 0.03 -1.84 0.12 0.00 0.01 0.00 0.00 72.50 70.82 1isk s THR 93 CO -0.10 -0.15 0.22 -0.69 -0.69 0.00 0.00 174.62 173.21 1isk s VAL 94 N -3.95 -0.14 0.13 3.82 1.01 0.16 -0.88 120.40 120.55 1isk s VAL 94 Ca 0.16 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1isk s VAL 94 Cb 0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 1isk s VAL 94 CO 0.01 -0.70 0.46 -0.69 0.00 0.00 0.00 175.10 174.18 1isk s VAL 95 N 1.86 5.01 -0.56 2.92 1.01 0.87 -0.23 120.40 131.28 1isk s VAL 95 Ca 0.12 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.66 1isk s VAL 95 Cb -0.17 -3.66 0.24 0.00 0.00 0.00 0.00 36.38 32.80 1isk s VAL 95 CO -0.23 0.17 0.66 0.00 0.00 0.00 0.00 175.10 175.70 1isk n ALA 96 N 0.56 3.53 -1.56 5.51 0.00 0.13 0.15 120.51 128.84 1isk n ALA 96 Ca -0.05 -4.32 -0.30 0.00 0.00 0.00 0.00 53.44 48.77 1isk n ALA 96 Cb 0.52 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.00 2.32 -0.22 0.00 0.04 -1.10 -4.73 135.00 129.31 1isk s PRO 97 Ca 0.38 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 1isk s PRO 97 Cb 0.15 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1isk s PRO 97 CO -0.05 -1.48 -0.07 0.42 0.04 0.00 0.00 177.00 175.87 1isk s ILE 98 N -3.12 3.09 -0.07 0.56 1.01 -0.55 -1.48 121.20 120.63 1isk s ILE 98 Ca 0.60 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 1isk s ILE 98 Cb -0.14 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 1isk s ILE 98 CO 0.54 0.38 0.36 -1.81 0.00 0.00 0.00 174.94 174.41 1isk s ASP 99 N 1.42 6.64 -0.26 3.58 -0.00 0.12 -0.28 116.67 127.89 1isk s ASP 99 Ca 0.04 0.76 0.02 0.00 -0.00 0.00 0.00 52.55 53.37 1isk s ASP 99 Cb -0.15 -2.22 0.07 0.00 -0.00 0.00 0.00 42.92 40.62 1isk s ASP 99 CO -0.05 0.23 -0.05 -2.28 -0.00 0.00 0.00 175.17 173.02 1isk s HIS 100 N -0.41 2.79 0.25 4.23 5.65 0.69 -0.24 115.29 128.25 1isk s HIS 100 Ca 0.21 -2.07 0.02 0.00 0.25 0.00 0.00 55.06 53.47 1isk s HIS 100 Cb -0.15 -1.84 -0.03 0.00 -1.18 0.00 0.00 32.58 29.37 1isk s HIS 100 CO 0.09 -0.83 0.41 -0.06 -0.65 0.00 0.00 174.74 173.70 1isk s PHE 101 N 1.26 3.48 -0.23 3.88 0.08 0.05 -0.77 117.98 125.73 1isk s PHE 101 Ca -0.04 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.17 1isk s PHE 101 Cb -0.19 -1.74 0.12 0.00 -0.57 0.00 0.00 43.02 40.63 1isk s PHE 101 CO -0.07 0.35 0.30 0.50 -0.10 0.00 0.00 175.22 176.20 1isk s ARG 102 N -3.80 0.27 0.30 0.44 3.52 0.14 -0.60 118.95 119.23 1isk s ARG 102 Ca 0.37 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 56.27 1isk s ARG 102 Cb -0.10 -0.83 -0.04 0.00 -1.56 0.00 0.00 34.95 32.42 1isk s ARG 102 CO 0.31 -0.69 0.53 -0.06 -0.81 0.00 0.00 175.30 174.58 1isk s PHE 103 N 2.43 3.49 0.06 5.12 0.08 0.12 -2.92 117.98 126.35 1isk s PHE 103 Ca 0.10 0.47 -0.10 0.00 0.12 0.00 0.00 56.93 57.52 1isk s PHE 103 Cb -0.15 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1isk s PHE 103 CO -0.16 0.18 0.46 0.09 -0.10 0.00 0.00 175.22 175.69 1isk n ASN 104 N -1.27 -0.68 0.00 1.36 3.02 -0.15 -4.78 115.26 112.76 1isk n ASN 104 Ca -0.03 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1isk n ASN 104 Cb 0.55 1.09 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isk n GLY 105 N -0.33 0.13 1.24 7.41 0.00 -1.26 0.22 105.19 112.60 1isk n GLY 105 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.00 -2.15 -3.08 4.61 0.00 -1.26 -4.59 120.51 115.03 1isk n ALA 106 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1isk n ALA 106 Cb 0.37 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.53 -0.11 2.59 0.00 0.00 -1.22 -4.78 105.19 101.14 1isk n GLY 107 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1isk n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1isk s LYS 108 N -5.26 0.20 -0.26 1.61 2.20 0.13 -4.95 119.74 113.42 1isk s LYS 108 Ca 0.13 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 1isk s LYS 108 Cb -0.06 -1.49 -0.00 0.00 -1.51 0.00 0.00 37.83 34.76 1isk s LYS 108 CO 0.51 -0.87 1.29 0.08 -0.36 0.00 0.00 175.35 175.99 1isk s VAL 109 N 2.08 4.19 0.00 4.02 1.01 -1.26 -0.98 120.40 129.46 1isk s VAL 109 Ca 0.06 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1isk s VAL 109 Cb -0.16 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1isk s VAL 109 CO -0.25 -0.36 0.61 0.52 0.00 0.00 0.00 175.10 175.62 1isk n VAL 110 N 5.94 0.27 -3.52 2.92 0.31 -1.24 -2.16 118.33 120.85 1isk n VAL 110 Ca 0.14 -0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.05 1isk n VAL 110 Cb 0.46 0.92 -0.12 0.00 -0.91 0.00 0.00 33.84 34.19 1isk n VAL 110 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1isk s SER 111 N -0.27 0.75 -0.13 4.52 1.04 -1.15 -1.33 113.70 117.13 1isk s SER 111 Ca 0.00 0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 1isk s SER 111 Cb 0.00 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.85 1isk s SER 111 CO 0.00 -0.29 0.32 0.00 0.98 0.00 0.00 173.24 174.25 1isk s MET 112 N 2.42 0.32 0.33 4.02 0.23 -0.17 0.26 119.30 126.70 1isk s MET 112 Ca 0.06 0.56 0.05 0.00 -1.03 0.00 0.00 55.69 55.34 1isk s MET 112 Cb -0.14 0.02 -0.02 0.00 -1.53 0.00 0.00 34.83 33.15 1isk s MET 112 CO -0.12 -0.12 0.31 1.03 -2.03 0.00 0.00 175.02 174.10 1isk s ARG 113 N 0.87 1.77 0.19 3.16 3.00 0.05 0.15 118.95 128.15 1isk s ARG 113 Ca -0.06 -1.95 -0.06 0.00 0.00 0.00 0.00 55.73 53.66 1isk s ARG 113 Cb -0.07 0.35 -0.02 0.00 0.00 0.00 0.00 34.95 35.21 1isk s ARG 113 CO -0.06 -0.67 0.24 0.00 0.00 0.00 0.00 175.30 174.81 1isk s ALA 114 N -3.39 0.50 -0.25 2.13 0.00 0.38 -0.22 121.76 120.92 1isk s ALA 114 Ca 0.39 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1isk s ALA 114 Cb 0.02 1.11 0.13 0.00 0.00 0.00 0.00 23.12 24.39 1isk s ALA 114 CO 0.26 -0.65 0.36 -0.51 0.00 0.00 0.00 175.76 175.22 1isk s LEU 115 N -3.06 -0.59 0.00 0.00 1.02 0.61 -4.33 118.68 112.32 1isk s LEU 115 Ca 0.28 0.09 -0.12 0.00 0.02 0.00 0.00 54.13 54.40 1isk s LEU 115 Cb 0.04 1.03 0.18 0.00 0.02 0.00 0.00 46.19 47.46 1isk s LEU 115 CO 0.07 -0.31 0.62 0.49 0.02 0.00 0.00 176.35 177.24 1isk n PHE 116 N 5.36 -3.48 -4.28 0.29 3.01 -1.26 -1.49 117.46 115.60 1isk n PHE 116 Ca -0.03 -0.56 -0.17 0.00 1.01 0.00 0.00 57.45 57.69 1isk n PHE 116 Cb 0.50 -0.65 -0.09 0.00 -0.01 0.00 0.00 39.48 39.23 1isk n PHE 116 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1isk s GLY 117 N -3.58 2.00 0.00 1.37 0.00 -1.26 -4.79 107.32 101.05 1isk s GLY 117 Ca 0.40 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1isk s GLY 117 CO 0.31 -1.49 0.28 -2.21 0.00 0.00 0.00 173.10 169.99 1isk n GLU 118 N -0.51 1.43 0.00 2.90 4.07 -1.26 -4.63 120.64 122.64 1isk n GLU 118 Ca 0.04 -0.28 0.00 0.00 -0.06 0.00 0.00 57.16 56.86 1isk n GLU 118 Cb 0.64 -0.76 0.00 0.00 -0.06 0.00 0.00 31.44 31.27 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1isk n LYS 119 N -0.29 0.92 -0.66 5.31 4.81 -1.26 -4.72 118.16 122.27 1isk n LYS 119 Ca 0.00 -0.79 0.00 0.00 -0.87 0.00 0.00 58.31 56.65 1isk n LYS 119 Cb 0.03 -0.67 0.21 0.00 0.02 0.00 0.00 35.03 34.61 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1isk n ASN 120 N -0.16 2.68 -4.26 3.14 4.13 -1.26 -4.97 115.26 114.56 1isk n ASN 120 Ca 0.00 -3.58 -0.30 0.00 1.68 0.00 0.00 54.58 52.38 1isk n ASN 120 Cb 0.40 -0.59 -0.16 0.00 -1.54 0.00 0.00 39.78 37.88 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1isk s ILE 121 N -3.14 1.89 -0.28 2.41 1.09 -1.26 0.22 121.20 122.13 1isk s ILE 121 Ca 0.43 -1.00 0.00 0.00 -1.10 0.00 0.00 60.65 58.97 1isk s ILE 121 Cb 0.38 -1.58 0.08 0.00 -1.06 0.00 0.00 42.46 40.29 1isk s ILE 121 CO 0.01 0.53 0.04 -1.00 -0.10 0.00 0.00 174.94 174.42 1isk s HIS 122 N -0.41 2.17 0.27 3.97 3.76 0.69 -4.95 115.29 120.79 1isk s HIS 122 Ca 0.05 -1.84 -0.05 0.00 -0.15 0.00 0.00 55.06 53.07 1isk s HIS 122 Cb -0.11 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.75 1isk s HIS 122 CO 0.01 -0.82 0.52 0.00 -0.85 0.00 0.00 174.74 173.60 1isk s ALA 123 N 1.46 3.65 0.05 -1.40 0.00 -1.26 0.36 121.76 124.62 1isk s ALA 123 Ca 0.04 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 1isk s ALA 123 Cb -0.18 -2.27 0.10 0.00 0.00 0.00 0.00 23.12 20.77 1isk s ALA 123 CO -0.14 0.31 1.19 0.20 0.00 0.00 0.00 175.76 177.32 1isk s GLY 124 N -3.04 -0.17 0.00 0.00 0.00 -0.28 -4.96 107.32 98.86 1isk s GLY 124 Ca 0.43 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1isk s GLY 124 CO 0.29 2.56 0.00 0.00 0.00 0.00 0.00 173.10 175.95