#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 -6.86 -3.83 3.17 5.15 -1.26 -5.07 115.26 106.56 1isk n ASN 2 Ca 0.00 0.40 -0.11 0.00 -0.60 0.00 0.00 54.58 54.28 1isk n ASN 2 Cb 0.00 -4.59 -0.08 0.00 -0.53 0.00 0.00 39.78 34.57 1isk n ASN 2 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1isk s THR 3 N -2.37 0.10 0.19 -0.44 -1.32 -1.26 -4.91 115.64 105.63 1isk s THR 3 Ca 0.19 -0.83 0.11 0.00 -1.21 0.00 0.00 61.69 59.95 1isk s THR 3 Cb -0.05 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1isk s THR 3 CO 0.63 -0.46 1.53 1.55 -2.21 0.00 0.00 174.62 175.66 1isk h PRO 4 N 3.50 0.00 -0.17 7.08 0.13 -1.92 -1.23 132.00 139.39 1isk h PRO 4 Ca -0.32 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1isk h PRO 4 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1isk h PRO 4 CO 0.47 0.68 -0.14 0.93 -0.23 0.00 0.00 178.00 179.71 1isk h GLU 5 N 0.00 0.39 -0.07 0.86 5.08 -1.97 0.38 114.58 119.26 1isk h GLU 5 Ca -0.01 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1isk h GLU 5 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1isk h GLU 5 CO 0.09 0.75 -0.04 1.25 -1.00 0.00 0.00 179.01 180.06 1isk h HIS 6 N 0.04 0.17 0.71 4.33 2.76 -1.98 0.09 115.15 121.28 1isk h HIS 6 Ca 0.03 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1isk h HIS 6 Cb 0.67 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 29.60 1isk h HIS 6 CO 0.08 0.53 -0.34 0.52 -1.30 0.00 0.00 177.93 177.42 1isk h MET 7 N -0.24 -0.92 -0.93 5.26 2.86 -1.26 -0.58 114.93 119.12 1isk h MET 7 Ca 0.01 0.06 0.17 0.00 -2.06 0.00 0.00 59.70 57.88 1isk h MET 7 Cb 0.49 0.21 -0.10 0.00 0.06 0.00 0.00 31.60 32.26 1isk h MET 7 CO 0.01 -0.61 0.52 1.15 1.06 0.00 0.00 176.91 179.04 1isk h THR 8 N -1.03 0.72 -0.28 2.22 2.02 -0.34 0.81 112.91 117.02 1isk h THR 8 Ca -0.10 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.87 1isk h THR 8 Cb 0.73 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1isk h THR 8 CO 0.16 0.13 0.11 0.00 0.37 0.00 0.00 175.52 176.29 1isk h ALA 9 N 1.60 0.33 -0.80 6.16 0.00 -0.85 -0.36 119.26 125.34 1isk h ALA 9 Ca 0.52 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.51 1isk h ALA 9 Cb 0.76 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1isk h ALA 9 CO -0.37 -0.29 0.48 0.28 0.00 0.00 0.00 179.25 179.36 1isk h VAL 10 N 0.25 1.02 -0.63 0.00 2.07 0.75 0.27 116.25 119.99 1isk h VAL 10 Ca 0.12 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1isk h VAL 10 Cb 0.07 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 1isk h VAL 10 CO -0.11 0.16 0.37 0.58 0.02 0.00 0.00 177.57 178.59 1isk h VAL 11 N 0.89 1.03 -0.82 2.57 2.07 -0.13 0.29 116.25 122.15 1isk h VAL 11 Ca 0.35 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1isk h VAL 11 Cb 0.17 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1isk h VAL 11 CO -0.17 0.13 0.40 -0.61 0.02 0.00 0.00 177.57 177.33 1isk h GLN 12 N 0.70 1.17 -0.30 1.57 4.15 0.31 -0.92 115.11 121.79 1isk h GLN 12 Ca 0.26 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1isk h GLN 12 Cb 0.09 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1isk h GLN 12 CO -0.14 0.90 -0.22 -0.09 -1.93 0.00 0.00 178.83 177.35 1isk h ARG 13 N 1.15 0.56 -0.26 1.69 1.12 0.07 -1.37 114.38 117.34 1isk h ARG 13 Ca 0.28 -0.20 -0.04 0.00 -1.11 0.00 0.00 59.98 58.91 1isk h ARG 13 Cb 0.11 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 1isk h ARG 13 CO -0.04 0.74 0.02 -0.92 -3.11 0.00 0.00 179.97 176.66 1isk h TYR 14 N 0.50 0.49 -0.06 2.20 5.03 0.18 0.34 116.97 125.65 1isk h TYR 14 Ca 0.08 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1isk h TYR 14 Cb 0.65 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.80 1isk h TYR 14 CO 0.02 0.59 0.03 0.28 -1.32 0.00 0.00 178.16 177.77 1isk h VAL 15 N 0.24 1.10 -0.76 1.81 2.07 -1.05 0.34 116.25 120.01 1isk h VAL 15 Ca 0.08 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1isk h VAL 15 Cb 0.39 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1isk h VAL 15 CO 0.01 0.08 0.48 0.00 0.02 0.00 0.00 177.57 178.16 1isk h ALA 16 N 0.91 0.97 -0.66 1.67 0.00 -1.19 0.13 119.26 121.10 1isk h ALA 16 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1isk h ALA 16 Cb 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1isk h ALA 16 CO -0.00 0.42 0.35 0.00 0.00 0.00 0.00 179.25 180.01 1isk h ALA 17 N 1.26 0.85 0.89 0.00 0.00 0.06 0.41 119.26 122.73 1isk h ALA 17 Ca 0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1isk h ALA 17 Cb -0.07 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1isk h ALA 17 CO -0.06 0.38 -0.43 1.25 0.00 0.00 0.00 179.25 180.40 1isk h LEU 18 N 0.91 -1.01 -2.38 0.00 5.85 0.49 0.35 115.31 119.52 1isk h LEU 18 Ca 0.23 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1isk h LEU 18 Cb 0.07 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 1isk h LEU 18 CO -0.03 -0.69 0.17 -1.13 -0.34 0.00 0.00 178.44 176.42 1isk h ASN 19 N -1.25 0.00 0.51 1.25 -0.73 -0.67 0.39 115.58 115.08 1isk h ASN 19 Ca -0.12 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.81 1isk h ASN 19 Cb 0.91 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.50 1isk h ASN 19 CO 0.20 0.00 -1.04 0.00 -0.37 0.00 0.00 177.43 176.22 1isk h ALA 20 N 1.74 0.29 0.00 1.57 0.00 0.62 -3.48 119.26 120.01 1isk h ALA 20 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1isk h ALA 20 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1isk h ALA 20 CO -0.00 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1isk n GLY 21 N 1.16 0.83 3.52 0.00 0.00 0.14 -5.01 105.19 105.83 1isk n GLY 21 Ca -0.07 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.40 6.47 0.00 1.61 -0.00 -0.43 -4.86 116.67 117.06 1isk s ASP 22 Ca 0.00 -1.46 -0.01 0.00 -0.00 0.00 0.00 52.55 51.09 1isk s ASP 22 Cb 0.00 -2.51 -0.00 0.00 -0.00 0.00 0.00 42.92 40.40 1isk s ASP 22 CO 0.00 -1.43 0.64 0.25 -0.00 0.00 0.00 175.17 174.64 1isk h LEU 23 N 12.09 -0.02 -0.85 1.23 7.12 -1.92 0.19 115.31 133.15 1isk h LEU 23 Ca 0.10 0.00 0.20 0.00 0.13 0.00 0.00 57.88 58.31 1isk h LEU 23 Cb 1.02 0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 41.04 1isk h LEU 23 CO 1.31 -0.01 0.32 -0.78 -0.13 0.00 0.00 178.44 179.14 1isk h ASP 24 N -0.04 0.20 0.63 1.25 1.82 -1.97 0.49 116.42 118.81 1isk h ASP 24 Ca -0.00 0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1isk h ASP 24 Cb 0.02 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 1isk h ASP 24 CO 0.00 -0.03 -0.39 1.23 -1.61 0.00 0.00 179.24 178.44 1isk h GLY 25 N 0.34 -1.06 0.35 -0.78 0.00 -1.95 0.21 103.07 100.20 1isk h GLY 25 Ca 0.52 0.44 0.24 0.00 0.00 0.00 0.00 47.33 48.53 1isk h GLY 25 CO -0.54 -0.37 0.59 -2.22 0.00 0.00 0.00 176.54 174.00 1isk h ILE 26 N -0.97 0.58 0.01 2.60 2.04 0.86 1.16 117.51 123.78 1isk h ILE 26 Ca -0.08 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.58 1isk h ILE 26 Cb 0.79 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1isk h ILE 26 CO 0.08 0.00 -0.90 0.58 0.00 0.00 0.00 178.15 177.90 1isk h VAL 27 N 0.00 1.48 0.00 1.67 2.07 0.12 -2.91 116.25 118.68 1isk h VAL 27 Ca 0.39 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1isk h VAL 27 Cb 1.57 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1isk h VAL 27 CO -0.00 0.76 -0.04 0.00 0.02 0.00 0.00 177.57 178.31 1isk n ALA 28 N -2.48 2.35 -0.13 1.67 0.00 0.35 -3.53 120.51 118.74 1isk n ALA 28 Ca -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1isk n ALA 28 Cb 0.82 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 0.16 0.00 0.00 6.46 0.18 -3.44 115.31 118.67 1isk h LEU 29 Ca 0.00 0.05 -0.40 0.00 -0.12 0.00 0.00 57.88 57.41 1isk h LEU 29 Cb 0.68 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1isk h LEU 29 CO 0.00 0.12 -0.15 2.22 -0.62 0.00 0.00 178.44 180.01 1isk n PHE 30 N -5.01 -1.34 -0.37 1.25 1.16 -1.23 -4.81 117.46 107.10 1isk n PHE 30 Ca 0.03 -1.64 -0.15 0.00 -1.87 0.00 0.00 57.45 53.82 1isk n PHE 30 Cb 0.15 -0.35 0.14 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 -2.28 -2.56 0.16 1.98 0.00 0.57 -4.93 120.51 113.45 1isk n ALA 31 Ca -0.12 -0.74 0.08 0.00 0.00 0.00 0.00 53.44 52.66 1isk n ALA 31 Cb 0.45 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.02 1.17 -0.63 0.00 9.92 -1.26 -4.37 116.55 119.36 1isk n ASP 32 Ca 0.07 -0.19 0.06 0.00 -0.53 0.00 0.00 54.79 54.20 1isk n ASP 32 Cb 0.29 1.58 0.19 0.00 -0.64 0.00 0.00 41.12 42.54 1isk n ASP 32 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1isk n ASP 33 N -1.91 1.69 -4.46 -2.24 8.00 -1.26 -0.95 116.55 115.42 1isk n ASP 33 Ca -0.02 -3.74 -0.29 0.00 0.71 0.00 0.00 54.79 51.45 1isk n ASP 33 Cb 0.38 -0.51 0.15 0.00 -0.02 0.00 0.00 41.12 41.13 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isk s ALA 34 N -3.00 2.05 -0.19 2.24 0.00 -1.26 -4.37 121.76 117.23 1isk s ALA 34 Ca 0.37 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1isk s ALA 34 Cb 0.36 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1isk s ALA 34 CO -0.07 -2.33 -0.18 0.95 0.00 0.00 0.00 175.76 174.13 1isk s THR 35 N -3.56 2.01 -0.10 0.00 -4.23 0.15 -1.27 115.64 108.64 1isk s THR 35 Ca 0.68 -0.98 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 1isk s THR 35 Cb -0.09 -1.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.85 1isk s THR 35 CO 0.52 0.46 0.24 -0.69 -0.54 0.00 0.00 174.62 174.61 1isk s VAL 36 N 1.29 5.33 -0.58 2.29 1.01 0.15 0.40 120.40 130.29 1isk s VAL 36 Ca 0.03 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1isk s VAL 36 Cb -0.14 -3.53 0.32 0.00 0.00 0.00 0.00 36.38 33.04 1isk s VAL 36 CO -0.12 0.56 0.91 -0.62 0.00 0.00 0.00 175.10 175.83 1isk n GLU 37 N 2.31 3.06 -4.55 2.72 1.02 0.33 0.17 120.64 125.70 1isk n GLU 37 Ca -0.17 -4.79 -0.34 0.00 -0.02 0.00 0.00 57.16 51.85 1isk n GLU 37 Cb 0.54 -2.22 -0.11 0.00 -0.02 0.00 0.00 31.44 29.62 1isk n GLU 37 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1isk s ASP 38 N -3.27 4.71 0.13 1.62 2.15 -1.26 -0.77 116.67 119.98 1isk s ASP 38 Ca 0.47 -0.05 -0.06 0.00 0.43 0.00 0.00 52.55 53.34 1isk s ASP 38 Cb 0.26 -1.39 -0.09 0.00 -0.30 0.00 0.00 42.92 41.41 1isk s ASP 38 CO -0.12 0.30 1.32 1.55 -0.17 0.00 0.00 175.17 178.05 1isk h PRO 39 N 5.70 0.50 0.00 4.34 0.13 -1.89 -3.47 132.00 137.31 1isk h PRO 39 Ca -0.43 -0.49 -0.21 0.00 -0.87 0.00 0.00 66.00 64.01 1isk h PRO 39 Cb 1.18 0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1isk h PRO 39 CO 0.55 1.12 -0.18 0.28 -0.23 0.00 0.00 178.00 179.55 1isk n VAL 40 N -3.80 0.00 0.29 1.56 0.31 -1.06 -2.36 118.33 113.27 1isk n VAL 40 Ca -0.07 -0.93 0.14 0.00 -0.01 0.00 0.00 64.34 63.47 1isk n VAL 40 Cb 0.80 0.38 0.75 0.00 -0.91 0.00 0.00 33.84 34.86 1isk n VAL 40 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1isk h GLY 41 N 0.69 0.00 -7.20 2.92 0.00 -1.78 -3.39 103.07 94.31 1isk h GLY 41 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1isk h GLY 41 CO 0.17 0.00 0.14 1.44 0.00 0.00 0.00 176.54 178.29 1isk n SER 42 N -2.70 1.29 -1.71 0.19 7.64 -1.26 -3.16 113.62 113.92 1isk n SER 42 Ca -0.02 -1.88 -0.01 0.00 1.01 0.00 0.00 58.87 57.97 1isk n SER 42 Cb 0.32 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1isk n SER 42 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1isk n GLU 43 N 8.19 -0.43 -1.37 1.43 -0.58 -1.26 -4.76 120.64 121.86 1isk n GLU 43 Ca 0.43 0.79 -0.27 0.00 -0.42 0.00 0.00 57.16 57.69 1isk n GLU 43 Cb 0.44 -2.02 0.21 0.00 -0.57 0.00 0.00 31.44 29.50 1isk n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1isk n PRO 44 N -0.29 -2.08 -3.87 3.49 -0.04 -1.19 -4.74 135.00 126.28 1isk n PRO 44 Ca 0.01 -1.76 -0.11 0.00 -0.04 0.00 0.00 63.50 61.60 1isk n PRO 44 Cb 0.05 -1.39 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 1isk n PRO 44 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1isk s ARG 45 N -5.49 0.38 0.00 0.54 0.52 0.13 -5.00 118.95 110.03 1isk s ARG 45 Ca 0.68 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.65 1isk s ARG 45 Cb -0.04 0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.58 1isk s ARG 45 CO 0.50 -0.08 -0.03 -1.54 0.02 0.00 0.00 175.30 174.16 1isk s SER 46 N -0.98 0.39 0.00 0.23 1.04 -1.26 0.29 113.70 113.41 1isk s SER 46 Ca -0.11 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1isk s SER 46 Cb -0.06 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1isk s SER 46 CO 0.01 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1isk n GLY 47 N 2.74 -0.58 0.10 7.32 0.00 -0.39 -3.96 105.19 110.40 1isk n GLY 47 Ca -0.14 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.43 1isk n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1isk n THR 48 N -0.03 1.20 0.09 2.61 -2.24 -0.12 -0.02 114.28 115.76 1isk n THR 48 Ca 0.00 0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 62.24 1isk n THR 48 Cb 0.00 -1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 66.76 1isk n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isk h ALA 49 N 2.13 -0.48 -0.37 6.98 0.00 -1.86 -0.41 119.26 125.25 1isk h ALA 49 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1isk h ALA 49 Cb 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1isk h ALA 49 CO 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 179.25 178.47 1isk h ALA 50 N -1.61 0.75 0.72 0.00 0.00 -1.64 0.74 119.26 118.21 1isk h ALA 50 Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1isk h ALA 50 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1isk h ALA 50 CO 0.04 0.66 -0.46 0.82 0.00 0.00 0.00 179.25 180.31 1isk h ILE 51 N 0.69 0.00 -0.89 0.00 2.04 -0.57 0.08 117.51 118.86 1isk h ILE 51 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1isk h ILE 51 Cb 0.86 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1isk h ILE 51 CO 0.08 0.00 0.58 -0.09 0.00 0.00 0.00 178.15 178.72 1isk h ARG 52 N -1.11 1.08 -0.35 2.37 2.43 -1.07 0.24 114.38 117.97 1isk h ARG 52 Ca -0.10 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1isk h ARG 52 Cb 0.89 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 1isk h ARG 52 CO 0.08 0.72 -0.02 0.93 -1.51 0.00 0.00 179.97 180.17 1isk h GLU 53 N 1.12 0.07 0.34 0.20 5.08 -0.46 0.36 114.58 121.29 1isk h GLU 53 Ca 0.35 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1isk h GLU 53 Cb 0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1isk h GLU 53 CO -0.10 0.05 -0.16 0.35 -1.00 0.00 0.00 179.01 178.14 1isk h PHE 54 N 0.08 -0.42 -0.38 4.33 3.57 -0.31 -1.21 116.94 122.59 1isk h PHE 54 Ca 0.17 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.77 1isk h PHE 54 Cb 0.24 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1isk h PHE 54 CO -0.26 -0.26 0.67 1.88 -2.23 0.00 0.00 178.31 178.10 1isk h TYR 55 N -1.09 0.00 0.00 0.41 0.05 -0.50 0.49 116.97 116.33 1isk h TYR 55 Ca -0.05 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 1isk h TYR 55 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1isk h TYR 55 CO 0.00 0.00 -0.52 0.00 -1.05 0.00 0.00 178.16 176.60 1isk h ALA 56 N 1.02 0.10 0.00 3.88 0.00 -0.25 0.28 119.26 124.30 1isk h ALA 56 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1isk h ALA 56 Cb 1.52 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1isk h ALA 56 CO -0.00 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.64 1isk n ASN 57 N -4.56 0.55 -0.11 0.00 5.03 0.74 0.06 115.26 116.98 1isk n ASN 57 Ca -0.17 0.73 -0.19 0.00 0.87 0.00 0.00 54.58 55.81 1isk n ASN 57 Cb 0.50 -0.81 -0.06 0.00 -1.02 0.00 0.00 39.78 38.39 1isk n ASN 57 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1isk n SER 58 N -2.21 1.95 0.20 6.41 7.64 0.14 -4.31 113.62 123.43 1isk n SER 58 Ca -0.01 0.33 0.14 0.00 1.01 0.00 0.00 58.87 60.35 1isk n SER 58 Cb 0.07 -0.78 0.74 0.00 -1.01 0.00 0.00 64.21 63.23 1isk n SER 58 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1isk h LEU 59 N -1.00 0.00 -1.98 -3.43 7.12 -0.21 0.11 115.31 115.93 1isk h LEU 59 Ca -0.35 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1isk h LEU 59 Cb 1.31 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1isk h LEU 59 CO -0.21 0.00 0.00 0.07 -0.13 0.00 0.00 178.44 178.17 1isk h LYS 60 N 0.00 0.00 -5.52 1.25 5.09 -0.56 -3.39 116.57 113.44 1isk h LYS 60 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 60.65 60.11 1isk h LYS 60 Cb 0.01 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 32.20 1isk h LYS 60 CO 0.00 0.00 0.18 -1.17 -2.09 0.00 0.00 179.45 176.37 1isk s LEU 61 N -5.33 4.30 -0.89 7.07 2.96 0.38 -4.99 118.68 122.18 1isk s LEU 61 Ca -0.02 0.02 -0.24 0.00 -0.22 0.00 0.00 54.13 53.66 1isk s LEU 61 Cb 0.09 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.98 1isk s LEU 61 CO 0.34 -0.68 1.66 -2.16 -1.32 0.00 0.00 176.35 174.19 1isk s PRO 62 N 2.83 3.05 0.29 0.98 0.04 -1.26 -4.92 135.00 136.00 1isk s PRO 62 Ca 0.25 -0.50 0.01 0.00 0.04 0.00 0.00 61.00 60.80 1isk s PRO 62 Cb -0.14 -4.99 -0.00 0.00 0.04 0.00 0.00 34.50 29.41 1isk s PRO 62 CO 0.17 -2.69 0.02 1.47 0.04 0.00 0.00 177.00 176.01 1isk n LEU 63 N 11.28 0.00 -3.80 -3.56 -0.00 -1.26 -4.78 117.00 114.87 1isk n LEU 63 Ca 0.30 -1.89 -0.30 0.00 -0.00 0.00 0.00 56.01 54.12 1isk n LEU 63 Cb 0.49 0.33 -0.14 0.00 -0.00 0.00 0.00 43.42 44.10 1isk n LEU 63 CO 0.65 -0.27 -0.27 0.00 -0.00 0.00 0.00 177.39 177.50 1isk s ALA 64 N -2.56 2.28 0.10 1.47 0.00 0.10 -4.64 121.76 118.51 1isk s ALA 64 Ca 0.03 -2.46 -0.17 0.00 0.00 0.00 0.00 51.96 49.36 1isk s ALA 64 Cb 0.00 -1.88 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 1isk s ALA 64 CO 0.02 -1.91 0.56 0.08 0.00 0.00 0.00 175.76 174.52 1isk s VAL 65 N 0.65 4.79 -0.20 0.00 1.01 -1.26 -1.42 120.40 123.95 1isk s VAL 65 Ca 0.15 1.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.93 1isk s VAL 65 Cb -0.22 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.40 1isk s VAL 65 CO -0.07 0.45 0.73 -0.70 0.00 0.00 0.00 175.10 175.51 1isk s GLU 66 N -1.41 0.88 0.78 2.72 2.12 -0.44 -4.73 118.70 118.62 1isk s GLU 66 Ca 0.32 0.74 -0.11 0.00 0.36 0.00 0.00 54.97 56.28 1isk s GLU 66 Cb -0.18 0.42 0.06 0.00 0.26 0.00 0.00 34.13 34.69 1isk s GLU 66 CO 0.19 -0.17 1.09 -0.51 -0.54 0.00 0.00 175.26 175.32 1isk s LEU 67 N -0.13 2.96 0.00 2.70 1.43 -1.26 -0.30 118.68 124.08 1isk s LEU 67 Ca -0.03 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 1isk s LEU 67 Cb -0.03 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1isk s LEU 67 CO 0.03 -2.04 0.00 1.07 0.23 0.00 0.00 176.35 175.64 1isk n THR 68 N -3.52 0.00 0.00 5.49 5.66 -1.25 -4.77 114.28 115.89 1isk n THR 68 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1isk n THR 68 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 0.00 0.00 0.00 1.09 3.00 -1.24 -4.96 117.38 115.26 1isk n GLN 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1isk n GLN 69 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1isk n GLN 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1isk n GLU 70 N -0.65 0.00 -3.96 -1.09 4.07 -1.26 -5.02 120.64 112.73 1isk n GLU 70 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1isk n GLU 70 Cb 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.21 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1isk s VAL 71 N -2.00 1.35 -1.16 6.31 1.01 -1.26 -1.40 120.40 123.25 1isk s VAL 71 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1isk s VAL 71 Cb 0.00 -1.36 0.16 0.00 0.00 0.00 0.00 36.38 35.18 1isk s VAL 71 CO 0.00 0.34 1.39 -0.13 0.00 0.00 0.00 175.10 176.70 1isk s ARG 72 N 1.56 4.00 -0.21 2.72 1.81 0.52 -4.87 118.95 124.48 1isk s ARG 72 Ca 0.03 -2.41 -0.19 0.00 -1.72 0.00 0.00 55.73 51.44 1isk s ARG 72 Cb -0.14 -5.06 -0.03 0.00 -0.45 0.00 0.00 34.95 29.28 1isk s ARG 72 CO -0.09 -1.79 0.55 0.00 -0.68 0.00 0.00 175.30 173.29 1isk s ALA 73 N 1.89 3.55 0.00 2.13 0.00 -1.26 -0.51 121.76 127.56 1isk s ALA 73 Ca 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1isk s ALA 73 Cb -0.03 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1isk s ALA 73 CO -0.01 -0.52 0.00 0.28 0.00 0.00 0.00 175.76 175.51 1isk n VAL 74 N 4.69 0.00 -1.51 0.00 0.31 0.07 -4.94 118.33 116.95 1isk n VAL 74 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.96 1isk n VAL 74 Cb 0.50 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.27 1isk n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1isk n ALA 75 N -3.00 0.60 -3.08 3.52 0.00 -1.26 -0.68 120.51 116.61 1isk n ALA 75 Ca 0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.68 1isk n ALA 75 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.96 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 9.89 -1.14 -4.38 0.00 3.02 -1.26 -4.83 115.26 116.56 1isk n ASN 76 Ca 0.63 -0.39 -0.20 0.00 -0.03 0.00 0.00 54.58 54.59 1isk n ASN 76 Cb 0.13 -1.04 -0.10 0.00 -0.61 0.00 0.00 39.78 38.17 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 -4.98 1.42 -0.35 3.52 2.02 0.14 0.25 118.70 120.72 1isk s GLU 77 Ca 0.37 -1.66 0.06 0.00 0.02 0.00 0.00 54.97 53.77 1isk s GLU 77 Cb -0.22 -1.20 0.18 0.00 0.10 0.00 0.00 34.13 33.00 1isk s GLU 77 CO 0.46 0.16 0.57 0.00 0.02 0.00 0.00 175.26 176.47 1isk s ALA 78 N -2.93 -2.13 -0.56 5.21 0.00 0.11 -0.75 121.76 120.72 1isk s ALA 78 Ca 0.25 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 1isk s ALA 78 Cb -0.00 -2.54 0.15 0.00 0.00 0.00 0.00 23.12 20.72 1isk s ALA 78 CO 0.09 -2.00 0.39 0.00 0.00 0.00 0.00 175.76 174.23 1isk s ALA 79 N 2.30 3.48 0.28 0.00 0.00 0.33 -0.54 121.76 127.61 1isk s ALA 79 Ca 0.13 -2.96 0.09 0.00 0.00 0.00 0.00 51.96 49.22 1isk s ALA 79 Cb -0.08 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1isk s ALA 79 CO -0.17 -2.00 0.06 -0.59 0.00 0.00 0.00 175.76 173.05 1isk s PHE 80 N 0.50 2.74 -0.20 0.00 -0.12 0.08 -0.36 117.98 120.62 1isk s PHE 80 Ca 0.13 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1isk s PHE 80 Cb -0.21 -1.33 -0.00 0.00 -0.63 0.00 0.00 43.02 40.84 1isk s PHE 80 CO -0.04 0.54 -0.10 0.00 -0.05 0.00 0.00 175.22 175.57 1isk s ALA 81 N -2.33 2.65 0.34 1.99 0.00 -0.49 -0.43 121.76 123.48 1isk s ALA 81 Ca 0.33 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1isk s ALA 81 Cb -0.05 -1.49 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 1isk s ALA 81 CO 0.21 -0.33 0.03 -0.59 0.00 0.00 0.00 175.76 175.08 1isk s PHE 82 N 1.30 2.14 0.24 0.00 -0.71 -0.56 -3.70 117.98 116.68 1isk s PHE 82 Ca 0.04 -0.83 0.07 0.00 -1.04 0.00 0.00 56.93 55.17 1isk s PHE 82 Cb -0.14 -1.41 -0.04 0.00 -1.21 0.00 0.00 43.02 40.22 1isk s PHE 82 CO -0.05 0.19 0.15 0.95 -1.34 0.00 0.00 175.22 175.11 1isk s THR 83 N -3.07 4.27 -0.18 -4.49 -4.23 0.59 -1.94 115.64 106.58 1isk s THR 83 Ca 0.35 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1isk s THR 83 Cb 0.08 -3.28 0.06 0.00 1.34 0.00 0.00 72.50 70.70 1isk s THR 83 CO 0.16 -0.31 0.06 0.54 -0.54 0.00 0.00 174.62 174.53 1isk s VAL 84 N -2.10 0.19 -0.27 2.29 0.11 0.18 -1.33 120.40 119.46 1isk s VAL 84 Ca 0.32 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.86 1isk s VAL 84 Cb -0.08 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1isk s VAL 84 CO 0.24 -0.24 0.52 -0.44 -3.33 0.00 0.00 175.10 171.85 1isk s SER 85 N 2.01 6.42 0.02 3.54 0.01 -0.51 -0.86 113.70 124.33 1isk s SER 85 Ca 0.01 0.45 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 1isk s SER 85 Cb -0.16 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1isk s SER 85 CO -0.08 -0.32 0.00 0.72 0.41 0.00 0.00 173.24 173.97 1isk s PHE 86 N 2.34 0.20 -0.22 2.43 -0.12 -0.49 0.02 117.98 122.14 1isk s PHE 86 Ca 0.21 -0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 56.64 1isk s PHE 86 Cb -0.16 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.09 1isk s PHE 86 CO 0.10 -0.20 -0.07 -2.00 -0.05 0.00 0.00 175.22 173.00 1isk s GLU 87 N -1.35 3.18 0.25 1.99 2.12 -1.26 -1.50 118.70 122.12 1isk s GLU 87 Ca -0.15 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.44 1isk s GLU 87 Cb -0.09 -2.93 0.05 0.00 0.26 0.00 0.00 34.13 31.41 1isk s GLU 87 CO -0.00 -0.25 0.34 0.66 -0.54 0.00 0.00 175.26 175.46 1isk n TYR 88 N 4.74 -3.14 -1.52 5.30 4.02 0.16 -4.88 117.16 121.84 1isk n TYR 88 Ca -0.18 -0.64 -0.25 0.00 -0.01 0.00 0.00 57.90 56.82 1isk n TYR 88 Cb 0.50 -0.24 -0.16 0.00 -0.02 0.00 0.00 39.34 39.42 1isk n TYR 88 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1isk n GLN 89 N -1.61 0.24 -3.76 -0.72 1.13 -1.26 -0.79 117.38 110.61 1isk n GLN 89 Ca 0.06 -0.22 -0.23 0.00 -1.94 0.00 0.00 57.00 54.67 1isk n GLN 89 Cb 0.21 -2.02 0.02 0.00 0.11 0.00 0.00 30.24 28.56 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1isk n GLY 90 N 6.06 -0.30 3.42 1.08 0.00 -1.26 -4.97 105.19 109.23 1isk n GLY 90 Ca 0.59 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 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 -6.14 1.12 -0.05 1.61 1.81 0.03 -5.08 118.95 112.25 1isk s ARG 91 Ca 0.07 -0.23 0.04 0.00 -1.72 0.00 0.00 55.73 53.89 1isk s ARG 91 Cb -0.03 0.51 -0.00 0.00 -0.45 0.00 0.00 34.95 34.98 1isk s ARG 91 CO 0.83 -0.42 -0.16 0.15 -0.68 0.00 0.00 175.30 175.01 1isk s LYS 92 N -2.64 1.75 -0.03 3.54 1.02 0.35 0.39 119.74 124.12 1isk s LYS 92 Ca -0.04 -0.57 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 1isk s LYS 92 Cb -0.00 -1.50 0.03 0.00 -0.52 0.00 0.00 37.83 35.83 1isk s LYS 92 CO -0.03 0.20 0.32 0.99 -0.92 0.00 0.00 175.35 175.91 1isk s THR 93 N 0.14 0.05 -0.14 2.17 2.01 -0.56 0.38 115.64 119.69 1isk s THR 93 Ca -0.06 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1isk s THR 93 Cb -0.12 -0.61 0.04 0.00 0.01 0.00 0.00 72.50 71.82 1isk s THR 93 CO 0.02 -0.23 -0.03 0.54 -0.69 0.00 0.00 174.62 174.23 1isk s VAL 94 N -1.18 0.88 0.51 3.82 0.11 -0.21 -1.39 120.40 122.93 1isk s VAL 94 Ca -0.12 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1isk s VAL 94 Cb -0.05 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1isk s VAL 94 CO 0.04 0.15 0.72 -0.69 -3.33 0.00 0.00 175.10 171.99 1isk s VAL 95 N 1.74 3.06 -0.42 2.04 1.01 -0.04 -0.89 120.40 126.91 1isk s VAL 95 Ca 0.02 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1isk s VAL 95 Cb -0.14 -3.13 0.24 0.00 0.00 0.00 0.00 36.38 33.35 1isk s VAL 95 CO -0.07 -0.09 0.51 0.00 0.00 0.00 0.00 175.10 175.45 1isk n ALA 96 N -2.21 2.62 -1.56 5.51 0.00 0.15 0.50 120.51 125.51 1isk n ALA 96 Ca 0.06 -3.48 -0.30 0.00 0.00 0.00 0.00 53.44 49.72 1isk n ALA 96 Cb 0.59 -0.81 0.09 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.11 2.19 -0.19 0.00 0.04 -0.82 -4.73 135.00 130.38 1isk s PRO 97 Ca 0.35 0.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1isk s PRO 97 Cb 0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1isk s PRO 97 CO -0.12 -1.55 -0.13 0.42 0.04 0.00 0.00 177.00 175.66 1isk s ILE 98 N -3.14 2.67 -0.22 0.56 1.01 -0.27 -1.50 121.20 120.31 1isk s ILE 98 Ca 0.60 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 1isk s ILE 98 Cb -0.14 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1isk s ILE 98 CO 0.54 0.49 0.26 -1.81 0.00 0.00 0.00 174.94 174.43 1isk s ASP 99 N 1.23 6.26 -0.24 3.58 1.01 0.43 0.32 116.67 129.26 1isk s ASP 99 Ca 0.03 0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.60 1isk s ASP 99 Cb -0.14 -2.16 0.06 0.00 1.01 0.00 0.00 42.92 41.69 1isk s ASP 99 CO -0.06 0.02 -0.09 -2.28 0.21 0.00 0.00 175.17 172.96 1isk s HIS 100 N 1.10 2.82 0.05 4.23 5.65 0.73 -0.75 115.29 129.13 1isk s HIS 100 Ca 0.13 -2.01 0.04 0.00 0.25 0.00 0.00 55.06 53.47 1isk s HIS 100 Cb -0.14 -1.76 -0.04 0.00 -1.18 0.00 0.00 32.58 29.47 1isk s HIS 100 CO 0.06 -0.82 -0.05 -0.06 -0.65 0.00 0.00 174.74 173.22 1isk s PHE 101 N 1.25 2.91 -0.28 3.88 0.08 0.30 -0.62 117.98 125.50 1isk s PHE 101 Ca -0.07 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 56.92 1isk s PHE 101 Cb -0.19 -1.55 0.09 0.00 -0.57 0.00 0.00 43.02 40.80 1isk s PHE 101 CO -0.06 0.43 0.08 0.50 -0.10 0.00 0.00 175.22 176.07 1isk s ARG 102 N -1.89 0.71 0.82 0.44 3.00 -0.55 0.08 118.95 121.56 1isk s ARG 102 Ca 0.21 -0.90 -0.11 0.00 -1.00 0.00 0.00 55.73 53.93 1isk s ARG 102 Cb -0.11 -1.99 0.09 0.00 0.00 0.00 0.00 34.95 32.93 1isk s ARG 102 CO 0.13 -0.90 1.09 -0.06 0.00 0.00 0.00 175.30 175.56 1isk s PHE 103 N 1.69 2.45 -1.60 5.12 0.40 0.14 -3.02 117.98 123.15 1isk s PHE 103 Ca 0.07 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 1isk s PHE 103 Cb -0.17 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1isk s PHE 103 CO -0.22 -2.05 0.00 -1.71 0.70 0.00 0.00 175.22 171.95 1isk n ASN 104 N -3.68 0.00 0.00 1.36 2.85 0.02 -4.84 115.26 110.97 1isk n ASN 104 Ca 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1isk n ASN 104 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1isk n GLY 105 N 0.00 2.47 0.09 8.20 0.00 -1.26 -1.33 105.19 113.36 1isk n GLY 105 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 9.49 2.16 0.00 4.61 0.00 -1.26 -4.89 120.51 130.61 1isk n ALA 106 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.32 1isk n ALA 106 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.10 1.00 3.32 0.00 0.00 -1.03 -5.11 105.19 102.28 1isk n GLY 107 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.01 1.08 -0.28 1.61 2.47 -0.45 -4.98 119.74 119.19 1isk s LYS 108 Ca 0.00 -0.89 -0.24 0.00 -1.56 0.00 0.00 55.97 53.28 1isk s LYS 108 Cb 0.00 0.42 -0.00 0.00 -1.46 0.00 0.00 37.83 36.79 1isk s LYS 108 CO 0.00 -0.40 0.81 0.08 0.16 0.00 0.00 175.35 176.00 1isk s VAL 109 N -3.86 4.80 -0.25 4.02 1.01 -1.26 -0.80 120.40 124.05 1isk s VAL 109 Ca 0.07 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.45 1isk s VAL 109 Cb 0.03 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1isk s VAL 109 CO -0.08 -0.19 0.23 0.52 0.00 0.00 0.00 175.10 175.58 1isk n VAL 110 N 5.45 0.00 -4.76 2.92 0.31 -1.25 -0.31 118.33 120.68 1isk n VAL 110 Ca 0.05 -0.36 -0.26 0.00 -0.01 0.00 0.00 64.34 63.75 1isk n VAL 110 Cb 0.48 0.97 -0.17 0.00 -0.91 0.00 0.00 33.84 34.22 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 -1.57 2.11 -0.06 4.52 1.04 -1.17 0.32 113.70 118.90 1isk s SER 111 Ca 0.02 -0.36 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 1isk s SER 111 Cb 0.04 -0.89 0.02 0.00 0.10 0.00 0.00 66.02 65.29 1isk s SER 111 CO 0.23 0.08 0.19 -0.04 0.98 0.00 0.00 173.24 174.68 1isk s MET 112 N 0.46 0.30 0.16 4.02 1.00 0.16 -1.49 119.30 123.92 1isk s MET 112 Ca -0.13 0.12 -0.15 0.00 0.00 0.00 0.00 55.69 55.52 1isk s MET 112 Cb -0.15 0.14 0.02 0.00 0.00 0.00 0.00 34.83 34.84 1isk s MET 112 CO 0.04 -0.05 0.44 1.03 0.00 0.00 0.00 175.02 176.48 1isk s ARG 113 N -0.26 1.22 0.22 2.03 0.52 0.21 0.12 118.95 123.02 1isk s ARG 113 Ca -0.04 -0.86 -0.00 0.00 -0.52 0.00 0.00 55.73 54.32 1isk s ARG 113 Cb -0.03 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.88 1isk s ARG 113 CO 0.01 -0.49 0.14 0.00 0.02 0.00 0.00 175.30 174.98 1isk s ALA 114 N -3.86 1.27 -0.30 2.13 0.00 0.05 -0.19 121.76 120.86 1isk s ALA 114 Ca 0.08 -1.74 -0.00 0.00 0.00 0.00 0.00 51.96 50.29 1isk s ALA 114 Cb 0.01 1.38 0.13 0.00 0.00 0.00 0.00 23.12 24.64 1isk s ALA 114 CO -0.06 -0.59 0.28 -0.51 0.00 0.00 0.00 175.76 174.88 1isk s LEU 115 N -3.19 -0.05 -0.21 0.00 1.02 0.15 -3.69 118.68 112.72 1isk s LEU 115 Ca 0.39 -1.02 -0.07 0.00 0.02 0.00 0.00 54.13 53.45 1isk s LEU 115 Cb 0.07 0.35 -0.03 0.00 0.02 0.00 0.00 46.19 46.59 1isk s LEU 115 CO 0.14 -0.37 0.05 -0.36 0.02 0.00 0.00 176.35 175.83 1isk s PHE 116 N 2.13 3.15 0.45 0.29 0.40 -1.26 -1.12 117.98 122.02 1isk s PHE 116 Ca 0.11 -0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1isk s PHE 116 Cb -0.15 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1isk s PHE 116 CO -0.28 -0.08 0.13 0.20 0.70 0.00 0.00 175.22 175.89 1isk s GLY 117 N 0.88 2.53 0.06 4.36 0.00 -1.26 -4.98 107.32 108.91 1isk s GLY 117 Ca 0.03 -1.70 0.22 0.00 0.00 0.00 0.00 44.72 43.27 1isk s GLY 117 CO 0.02 -2.02 0.71 1.18 0.00 0.00 0.00 173.10 172.99 1isk n GLU 118 N -1.24 0.63 -0.22 2.90 4.71 -1.26 -3.90 120.64 122.25 1isk n GLU 118 Ca -0.06 -0.07 0.04 0.00 -0.01 0.00 0.00 57.16 57.06 1isk n GLU 118 Cb 0.66 -1.64 0.15 0.00 -1.01 0.00 0.00 31.44 29.60 1isk n GLU 118 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1isk n LYS 119 N -2.40 1.99 -2.23 3.49 5.02 -1.26 -3.65 118.16 119.12 1isk n LYS 119 Ca -0.02 -1.17 -0.18 0.00 -2.02 0.00 0.00 58.31 54.92 1isk n LYS 119 Cb 0.56 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1isk n ASN 120 N 0.36 4.07 -4.01 4.39 5.03 -1.25 -5.02 115.26 118.83 1isk n ASN 120 Ca 0.11 -3.31 -0.19 0.00 0.87 0.00 0.00 54.58 52.06 1isk n ASN 120 Cb 0.38 -0.38 -0.15 0.00 -1.02 0.00 0.00 39.78 38.61 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1isk s ILE 121 N -4.41 0.70 -0.20 2.41 1.01 -1.24 0.29 121.20 119.77 1isk s ILE 121 Ca 0.45 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1isk s ILE 121 Cb 0.39 -0.60 0.04 0.00 0.01 0.00 0.00 42.46 42.30 1isk s ILE 121 CO 0.02 0.21 -0.11 -1.00 0.00 0.00 0.00 174.94 174.06 1isk s HIS 122 N -0.05 2.40 0.61 3.97 3.76 -0.07 -4.95 115.29 120.97 1isk s HIS 122 Ca 0.01 -1.57 -0.11 0.00 -0.15 0.00 0.00 55.06 53.25 1isk s HIS 122 Cb -0.05 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 1isk s HIS 122 CO -0.00 -0.74 1.02 0.00 -0.85 0.00 0.00 174.74 174.17 1isk s ALA 123 N 1.40 3.11 0.00 -1.40 0.00 -1.26 -1.05 121.76 122.57 1isk s ALA 123 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1isk s ALA 123 Cb -0.16 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1isk s ALA 123 CO -0.08 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1isk n GLY 124 N -2.73 -0.71 0.00 0.00 0.00 0.16 -4.92 105.19 96.99 1isk n GLY 124 Ca 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32