#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isk s ASN 2 N 0.00 2.17 0.22 6.12 2.47 -1.26 -3.10 114.94 121.56 1isk s ASN 2 Ca 0.00 -1.73 0.08 0.00 0.42 0.00 0.00 52.86 51.64 1isk s ASN 2 Cb 0.00 0.55 -0.04 0.00 -1.45 0.00 0.00 41.25 40.31 1isk s ASN 2 CO 0.00 -1.01 0.02 0.42 -3.72 0.00 0.00 177.10 172.81 1isk s THR 3 N -3.35 3.69 0.12 -5.21 -4.23 -1.26 -4.96 115.64 100.44 1isk s THR 3 Ca 0.33 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.14 1isk s THR 3 Cb 0.02 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.77 1isk s THR 3 CO 0.21 -0.25 1.30 1.55 -0.54 0.00 0.00 174.62 176.90 1isk h PRO 4 N 2.23 0.54 0.00 3.99 0.13 -1.99 -1.75 132.00 135.15 1isk h PRO 4 Ca -0.46 -0.53 -0.07 0.00 -0.87 0.00 0.00 66.00 64.07 1isk h PRO 4 Cb 1.23 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1isk h PRO 4 CO 0.59 1.16 -0.33 0.93 -0.23 0.00 0.00 178.00 180.11 1isk h GLU 5 N 0.33 0.00 0.06 0.86 5.08 -1.96 0.51 114.58 119.47 1isk h GLU 5 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1isk h GLU 5 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1isk h GLU 5 CO 0.17 0.33 -0.03 0.45 -1.00 0.00 0.00 179.01 178.93 1isk h HIS 6 N 0.00 -0.08 -0.98 4.33 3.86 -1.96 -0.32 115.15 120.00 1isk h HIS 6 Ca -0.00 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.36 1isk h HIS 6 Cb 0.71 0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 1isk h HIS 6 CO 0.00 -0.05 0.61 0.00 0.86 0.00 0.00 177.93 179.36 1isk h MET 7 N -0.58 0.80 -0.15 2.45 -0.00 -1.38 0.18 114.93 116.25 1isk h MET 7 Ca -0.01 -0.05 -0.09 0.00 -0.00 0.00 0.00 59.70 59.55 1isk h MET 7 Cb 0.07 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.49 1isk h MET 7 CO 0.01 0.53 -0.26 1.15 -0.00 0.00 0.00 176.91 178.34 1isk h THR 8 N 0.82 1.36 -0.78 -0.10 2.02 -1.02 -1.00 112.91 114.21 1isk h THR 8 Ca 0.52 -1.51 0.07 0.00 0.77 0.00 0.00 66.41 66.26 1isk h THR 8 Cb 0.73 1.98 -0.06 0.00 -1.74 0.00 0.00 68.15 69.06 1isk h THR 8 CO -0.29 0.45 0.46 0.00 0.37 0.00 0.00 175.52 176.51 1isk h ALA 9 N 0.56 1.08 -0.42 6.16 0.00 0.28 -0.07 119.26 126.86 1isk h ALA 9 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1isk h ALA 9 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1isk h ALA 9 CO 0.06 0.16 -0.00 0.28 0.00 0.00 0.00 179.25 179.75 1isk h VAL 10 N 0.83 1.26 -0.99 0.00 2.07 -0.66 -1.45 116.25 117.31 1isk h VAL 10 Ca 0.35 -1.02 0.13 0.00 0.82 0.00 0.00 66.70 66.97 1isk h VAL 10 Cb 0.22 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1isk h VAL 10 CO -0.19 0.35 0.62 0.58 0.02 0.00 0.00 177.57 178.95 1isk h VAL 11 N 0.57 0.90 0.55 2.57 2.07 0.05 0.47 116.25 123.44 1isk h VAL 11 Ca 0.12 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1isk h VAL 11 Cb 0.49 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1isk h VAL 11 CO 0.02 0.17 -0.27 -0.61 0.02 0.00 0.00 177.57 176.91 1isk h GLN 12 N 0.94 -0.72 -0.44 1.57 5.75 -0.65 -0.94 115.11 120.62 1isk h GLN 12 Ca 0.49 0.05 0.13 0.00 -0.15 0.00 0.00 58.65 59.17 1isk h GLN 12 Cb 0.54 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 1isk h GLN 12 CO -0.26 -0.42 0.36 -0.09 -2.65 0.00 0.00 178.83 175.78 1isk h ARG 13 N -1.09 0.00 -0.03 1.69 9.65 -0.75 -0.66 114.38 123.19 1isk h ARG 13 Ca -0.08 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 1isk h ARG 13 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1isk h ARG 13 CO 0.13 0.00 -0.08 -0.92 2.80 0.00 0.00 179.97 181.89 1isk h TYR 14 N 0.00 0.14 -0.50 2.20 5.03 0.12 -1.00 116.97 122.96 1isk h TYR 14 Ca 0.21 -0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.52 1isk h TYR 14 Cb 0.93 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.14 1isk h TYR 14 CO 0.00 0.69 0.22 0.28 -1.32 0.00 0.00 178.16 178.03 1isk h VAL 15 N -0.45 0.90 -0.15 1.81 2.07 0.26 0.18 116.25 120.87 1isk h VAL 15 Ca -0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1isk h VAL 15 Cb 0.69 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1isk h VAL 15 CO 0.02 0.08 0.08 0.00 0.02 0.00 0.00 177.57 177.77 1isk h ALA 16 N 1.30 0.19 -0.83 1.67 0.00 -1.30 -1.03 119.26 119.26 1isk h ALA 16 Ca 0.23 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1isk h ALA 16 Cb 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1isk h ALA 16 CO -0.20 -0.28 0.54 0.00 0.00 0.00 0.00 179.25 179.32 1isk h ALA 17 N 0.99 1.85 0.73 0.00 0.00 -0.35 0.34 119.26 122.82 1isk h ALA 17 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1isk h ALA 17 Cb 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1isk h ALA 17 CO -0.01 -0.05 -0.35 1.25 0.00 0.00 0.00 179.25 180.09 1isk h LEU 18 N 0.67 -0.83 -2.76 0.00 5.85 0.20 0.31 115.31 118.74 1isk h LEU 18 Ca 0.40 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1isk h LEU 18 Cb 0.63 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1isk h LEU 18 CO -0.17 -0.50 0.07 -1.13 -0.34 0.00 0.00 178.44 176.38 1isk h ASN 19 N -1.15 0.00 0.71 1.25 -1.24 -0.43 0.34 115.58 115.06 1isk h ASN 19 Ca -0.10 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.65 1isk h ASN 19 Cb 0.77 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.81 1isk h ASN 19 CO 0.16 0.00 -1.26 0.00 -1.29 0.00 0.00 177.43 175.04 1isk h ALA 20 N 1.85 0.29 -0.26 1.57 0.00 0.33 -3.48 119.26 119.57 1isk h ALA 20 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1isk h ALA 20 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1isk h ALA 20 CO 0.00 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.83 1isk n GLY 21 N 1.50 0.61 3.26 0.00 0.00 0.12 -5.05 105.19 105.62 1isk n GLY 21 Ca -0.08 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.49 6.37 -0.02 1.61 1.11 -0.01 -4.90 116.67 119.34 1isk s ASP 22 Ca 0.00 -2.88 -0.15 0.00 0.18 0.00 0.00 52.55 49.70 1isk s ASP 22 Cb 0.00 -2.10 -0.08 0.00 1.07 0.00 0.00 42.92 41.80 1isk s ASP 22 CO 0.00 -0.47 0.69 0.25 1.18 0.00 0.00 175.17 176.81 1isk h LEU 23 N 7.38 -0.47 -0.47 1.23 7.12 -1.95 0.22 115.31 128.38 1isk h LEU 23 Ca 0.09 0.02 -0.05 0.00 0.13 0.00 0.00 57.88 58.06 1isk h LEU 23 Cb 0.99 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.22 1isk h LEU 23 CO 0.77 -0.09 0.08 0.44 -0.13 0.00 0.00 178.44 179.51 1isk h ASP 24 N -1.04 0.75 0.30 1.25 3.32 -1.97 -0.50 116.42 118.53 1isk h ASP 24 Ca -0.06 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1isk h ASP 24 Cb 0.42 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1isk h ASP 24 CO 0.09 0.81 -0.32 1.23 -1.72 0.00 0.00 179.24 179.33 1isk h GLY 25 N 0.65 -0.72 0.72 2.75 0.00 -1.95 0.41 103.07 104.93 1isk h GLY 25 Ca 0.14 0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.90 1isk h GLY 25 CO 0.01 -0.27 0.45 -2.22 0.00 0.00 0.00 176.54 174.51 1isk h ILE 26 N -0.66 1.02 0.00 2.60 2.04 -0.88 0.53 117.51 122.15 1isk h ILE 26 Ca -0.01 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1isk h ILE 26 Cb 0.61 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1isk h ILE 26 CO -0.07 0.15 -0.10 0.58 0.00 0.00 0.00 178.15 178.71 1isk h VAL 27 N 0.83 0.71 0.00 1.67 2.07 -0.50 0.14 116.25 121.17 1isk h VAL 27 Ca 0.33 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1isk h VAL 27 Cb 0.16 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1isk h VAL 27 CO -0.17 0.10 -0.77 0.00 0.02 0.00 0.00 177.57 176.76 1isk h ALA 28 N 1.90 0.68 -0.65 1.67 0.00 0.33 -3.32 119.26 119.87 1isk h ALA 28 Ca -0.00 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1isk h ALA 28 Cb 0.25 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1isk h ALA 28 CO 0.01 0.33 0.24 1.25 0.00 0.00 0.00 179.25 181.08 1isk h LEU 29 N 0.00 0.22 0.00 0.00 6.46 0.20 -3.43 115.31 118.75 1isk h LEU 29 Ca -0.04 0.09 -0.49 0.00 -0.12 0.00 0.00 57.88 57.32 1isk h LEU 29 Cb 1.21 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 41.16 1isk h LEU 29 CO 0.02 0.12 -0.26 2.22 -0.62 0.00 0.00 178.44 179.92 1isk n PHE 30 N -5.01 -0.40 -0.86 1.25 1.16 -1.22 -4.90 117.46 107.48 1isk n PHE 30 Ca 0.10 -1.94 -0.36 0.00 -1.87 0.00 0.00 57.45 53.38 1isk n PHE 30 Cb 0.31 -0.35 0.09 0.00 -1.61 0.00 0.00 39.48 37.92 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 -1.98 -5.01 0.62 1.98 0.00 0.12 -4.89 120.51 111.34 1isk n ALA 31 Ca -0.15 -1.26 0.11 0.00 0.00 0.00 0.00 53.44 52.13 1isk n ALA 31 Cb 0.52 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 1.27 0.62 -0.22 0.00 9.92 -1.26 -4.09 116.55 122.80 1isk n ASP 32 Ca -0.01 -0.51 0.09 0.00 -0.53 0.00 0.00 54.79 53.83 1isk n ASP 32 Cb 0.68 1.19 0.15 0.00 -0.64 0.00 0.00 41.12 42.51 1isk n ASP 32 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1isk n ASP 33 N -1.82 2.13 -4.75 -2.24 5.68 -1.26 -0.38 116.55 113.92 1isk n ASP 33 Ca 0.01 -3.25 -0.31 0.00 -0.50 0.00 0.00 54.79 50.74 1isk n ASP 33 Cb 0.42 -0.45 0.11 0.00 -1.14 0.00 0.00 41.12 40.06 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 -2.87 2.04 -0.08 2.12 0.00 -1.26 -4.17 121.76 117.54 1isk s ALA 34 Ca 0.33 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1isk s ALA 34 Cb 0.30 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1isk s ALA 34 CO 0.00 -1.99 -0.06 0.95 0.00 0.00 0.00 175.76 174.66 1isk s THR 35 N -2.87 3.77 0.01 0.00 -4.23 -0.23 -1.00 115.64 111.09 1isk s THR 35 Ca 0.62 -0.45 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 1isk s THR 35 Cb -0.18 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 1isk s THR 35 CO 0.56 0.59 -0.23 -0.69 -0.54 0.00 0.00 174.62 174.32 1isk s VAL 36 N -0.70 1.83 -0.53 2.29 1.01 0.11 0.06 120.40 124.47 1isk s VAL 36 Ca 0.11 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1isk s VAL 36 Cb -0.11 -1.54 0.17 0.00 0.00 0.00 0.00 36.38 34.89 1isk s VAL 36 CO 0.02 0.40 0.40 -0.70 0.00 0.00 0.00 175.10 175.21 1isk s GLU 37 N -0.84 1.54 -0.03 2.72 2.56 0.83 0.37 118.70 125.85 1isk s GLU 37 Ca 0.09 -2.59 0.03 0.00 0.00 0.00 0.00 54.97 52.50 1isk s GLU 37 Cb -0.09 -2.25 0.00 0.00 2.00 0.00 0.00 34.13 33.79 1isk s GLU 37 CO 0.00 -1.34 -0.09 0.34 -0.56 0.00 0.00 175.26 173.61 1isk s ASP 38 N -0.52 1.26 0.00 -1.70 2.15 -1.26 -1.30 116.67 115.30 1isk s ASP 38 Ca 0.29 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1isk s ASP 38 Cb -0.01 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.28 1isk s ASP 38 CO -0.17 0.07 0.15 -0.81 -0.17 0.00 0.00 175.17 174.24 1isk n PRO 39 N 3.26 0.00 -3.45 4.34 -0.04 -1.26 -5.03 135.00 132.82 1isk n PRO 39 Ca -0.18 0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 1isk n PRO 39 Cb 0.54 -0.73 -0.03 0.00 -0.04 0.00 0.00 33.50 33.24 1isk n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1isk s VAL 40 N -0.52 0.01 0.00 0.52 1.01 -1.26 -3.72 120.40 116.43 1isk s VAL 40 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1isk s VAL 40 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1isk s VAL 40 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1isk n GLY 41 N -0.26 4.00 0.00 4.51 0.00 -1.26 -5.08 105.19 107.09 1isk n GLY 41 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1isk n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1isk n SER 42 N 0.00 0.00 -2.47 1.61 2.88 -1.26 -5.09 113.62 109.29 1isk n SER 42 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1isk n SER 42 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1isk n SER 42 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1isk n GLU 43 N -1.42 -1.11 -2.52 -1.46 1.02 -1.26 -4.99 120.64 108.90 1isk n GLU 43 Ca 0.00 0.70 -0.38 0.00 -0.02 0.00 0.00 57.16 57.46 1isk n GLU 43 Cb 0.00 -3.98 -0.04 0.00 -0.02 0.00 0.00 31.44 27.39 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 -3.53 4.36 0.59 3.49 0.04 -1.26 -4.94 135.00 133.76 1isk s PRO 44 Ca 0.17 1.62 0.09 0.00 0.04 0.00 0.00 61.00 62.92 1isk s PRO 44 Cb -0.02 -2.81 0.09 0.00 0.04 0.00 0.00 34.50 31.80 1isk s PRO 44 CO 0.43 0.01 0.82 1.03 0.04 0.00 0.00 177.00 179.33 1isk s ARG 45 N -2.06 2.23 -0.18 4.56 0.52 0.16 -4.90 118.95 119.29 1isk s ARG 45 Ca 0.52 -1.59 -0.32 0.00 -0.52 0.00 0.00 55.73 53.82 1isk s ARG 45 Cb -0.26 -2.61 0.14 0.00 0.52 0.00 0.00 34.95 32.74 1isk s ARG 45 CO 0.33 -0.93 1.14 -1.54 0.02 0.00 0.00 175.30 174.32 1isk s SER 46 N -4.68 -0.21 0.00 0.23 1.04 -1.26 0.09 113.70 108.92 1isk s SER 46 Ca 0.62 0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1isk s SER 46 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1isk s SER 46 CO 0.40 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1isk n GLY 47 N 0.22 -0.80 0.63 7.32 0.00 -0.17 -3.84 105.19 108.54 1isk n GLY 47 Ca -0.04 -1.20 0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 0.41 2.61 1.35 -1.01 0.42 112.91 116.74 1isk h THR 48 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1isk h THR 48 Cb 0.00 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 1isk h THR 48 CO 0.00 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.07 1isk h ALA 49 N 0.90 -0.99 0.14 6.62 0.00 -1.84 0.34 119.26 124.43 1isk h ALA 49 Ca 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1isk h ALA 49 Cb 3.29 0.22 0.00 0.00 0.00 0.00 0.00 17.79 21.30 1isk h ALA 49 CO -0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 179.25 178.23 1isk h ALA 50 N -1.66 -0.19 -0.67 0.00 0.00 -0.55 -1.00 119.26 115.18 1isk h ALA 50 Ca -0.06 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1isk h ALA 50 Cb 0.43 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 1isk h ALA 50 CO 0.09 -0.57 -0.00 0.82 0.00 0.00 0.00 179.25 179.59 1isk h ILE 51 N -0.25 0.43 -0.23 0.00 2.04 -0.45 0.47 117.51 119.52 1isk h ILE 51 Ca -0.02 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1isk h ILE 51 Cb 0.20 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1isk h ILE 51 CO 0.03 0.02 0.08 0.03 0.00 0.00 0.00 178.15 178.31 1isk h ARG 52 N 0.11 0.19 -0.65 2.37 2.47 0.08 0.42 114.38 119.37 1isk h ARG 52 Ca 0.36 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.09 1isk h ARG 52 Cb 0.60 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 1isk h ARG 52 CO -0.59 0.12 0.43 0.93 0.56 0.00 0.00 179.97 181.43 1isk h GLU 53 N 0.19 0.79 0.00 0.04 3.07 0.59 0.34 114.58 119.60 1isk h GLU 53 Ca 0.10 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1isk h GLU 53 Cb 0.07 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1isk h GLU 53 CO -0.10 0.52 -0.00 0.35 -1.40 0.00 0.00 179.01 178.38 1isk h PHE 54 N 0.81 -0.00 -0.84 4.33 3.57 0.81 -0.61 116.94 125.00 1isk h PHE 54 Ca 0.25 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.96 1isk h PHE 54 Cb 0.01 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.63 1isk h PHE 54 CO -0.00 -0.00 0.29 1.88 -2.23 0.00 0.00 178.31 178.25 1isk h TYR 55 N -0.00 0.47 0.54 0.41 -1.99 -0.23 0.41 116.97 116.58 1isk h TYR 55 Ca -0.00 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1isk h TYR 55 Cb 0.00 -0.07 0.01 0.00 2.00 0.00 0.00 36.73 38.66 1isk h TYR 55 CO 0.08 -0.09 -0.26 0.00 -0.00 0.00 0.00 178.16 177.89 1isk h ALA 56 N 1.69 -1.07 -1.32 3.88 0.00 -0.43 0.19 119.26 122.19 1isk h ALA 56 Ca 0.51 -0.16 0.38 0.00 0.00 0.00 0.00 54.91 55.65 1isk h ALA 56 Cb 0.96 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1isk h ALA 56 CO -0.55 -1.02 0.95 -0.97 0.00 0.00 0.00 179.25 177.66 1isk h ASN 57 N -0.80 0.00 0.39 0.00 -0.73 -0.34 0.20 115.58 114.30 1isk h ASN 57 Ca -0.07 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 1isk h ASN 57 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1isk h ASN 57 CO 0.12 -0.00 -0.19 0.28 -0.37 0.00 0.00 177.43 177.28 1isk h SER 58 N 0.00 -0.44 -0.00 1.15 0.02 0.29 -3.02 113.55 111.55 1isk h SER 58 Ca 0.63 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1isk h SER 58 Cb 2.53 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 65.18 1isk h SER 58 CO -0.01 0.00 0.29 -0.07 -1.14 0.00 0.00 176.83 175.91 1isk h LEU 59 N -1.10 0.00 -1.90 5.07 4.07 0.21 -1.48 115.31 120.19 1isk h LEU 59 Ca -0.05 0.00 0.54 0.00 0.08 0.00 0.00 57.88 58.45 1isk h LEU 59 Cb 0.46 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.12 1isk h LEU 59 CO 0.09 0.00 1.40 0.50 -1.08 0.00 0.00 178.44 179.35 1isk h LYS 60 N 0.00 0.00 -5.01 1.13 3.64 -0.62 -3.30 116.57 112.41 1isk h LYS 60 Ca 0.00 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.74 1isk h LYS 60 Cb 0.59 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.21 1isk h LYS 60 CO -0.00 0.00 -0.59 -1.17 -2.27 0.00 0.00 179.45 175.42 1isk s LEU 61 N -7.73 3.65 -0.28 5.20 2.96 -0.56 -5.06 118.68 116.87 1isk s LEU 61 Ca -0.05 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.47 1isk s LEU 61 Cb 0.26 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 1isk s LEU 61 CO 0.85 0.01 1.34 -2.16 -1.32 0.00 0.00 176.35 175.07 1isk s PRO 62 N 1.37 3.92 0.21 0.98 0.04 -1.24 -4.97 135.00 135.30 1isk s PRO 62 Ca 0.06 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.47 1isk s PRO 62 Cb -0.15 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 1isk s PRO 62 CO 0.05 -1.12 0.18 1.47 0.04 0.00 0.00 177.00 177.61 1isk n LEU 63 N 7.68 0.00 -3.85 -3.56 -0.00 -1.26 -4.61 117.00 111.40 1isk n LEU 63 Ca 0.15 -1.99 -0.30 0.00 -0.00 0.00 0.00 56.01 53.88 1isk n LEU 63 Cb 0.46 1.04 -0.13 0.00 -0.00 0.00 0.00 43.42 44.79 1isk n LEU 63 CO 0.63 -0.33 -0.19 0.00 -0.00 0.00 0.00 177.39 177.50 1isk s ALA 64 N -2.85 2.95 0.00 1.47 0.00 0.14 -4.85 121.76 118.63 1isk s ALA 64 Ca 0.25 -3.11 -0.17 0.00 0.00 0.00 0.00 51.96 48.93 1isk s ALA 64 Cb 0.01 -2.06 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 1isk s ALA 64 CO 0.18 -2.04 0.49 0.08 0.00 0.00 0.00 175.76 174.46 1isk s VAL 65 N -0.22 4.95 -0.11 0.00 1.01 -1.26 -1.08 120.40 123.69 1isk s VAL 65 Ca 0.19 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1isk s VAL 65 Cb -0.22 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.46 1isk s VAL 65 CO -0.02 0.51 0.86 -0.70 0.00 0.00 0.00 175.10 175.75 1isk s GLU 66 N -0.72 0.79 0.31 2.72 2.12 -0.42 -4.54 118.70 118.96 1isk s GLU 66 Ca 0.26 0.19 -0.28 0.00 0.36 0.00 0.00 54.97 55.51 1isk s GLU 66 Cb -0.17 0.37 -0.09 0.00 0.26 0.00 0.00 34.13 34.50 1isk s GLU 66 CO 0.15 -0.25 1.05 -0.51 -0.54 0.00 0.00 175.26 175.17 1isk s LEU 67 N -1.15 4.43 -0.30 2.70 1.43 -1.26 -1.37 118.68 123.16 1isk s LEU 67 Ca -0.06 2.13 -0.03 0.00 -1.03 0.00 0.00 54.13 55.15 1isk s LEU 67 Cb -0.00 -3.82 0.29 0.00 0.03 0.00 0.00 46.19 42.69 1isk s LEU 67 CO 0.05 -0.20 1.32 1.07 0.23 0.00 0.00 176.35 178.82 1isk n THR 68 N 0.81 0.00 0.00 5.49 5.66 -1.26 -4.90 114.28 120.08 1isk n THR 68 Ca 0.01 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1isk n THR 68 Cb 0.47 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 1isk n THR 68 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1isk n GLN 69 N 1.35 0.00 0.00 1.09 7.27 -1.23 -4.81 117.38 121.04 1isk n GLN 69 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1isk n GLN 69 Cb 0.73 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.38 1isk n GLN 69 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1isk n GLU 70 N -1.45 0.00 -3.94 3.69 4.07 -1.25 -5.00 120.64 116.76 1isk n GLU 70 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 1isk n GLU 70 Cb 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.23 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 1.70 -1.15 6.31 1.01 -1.26 -1.23 120.40 123.78 1isk s VAL 71 Ca 0.00 -1.66 -0.20 0.00 0.00 0.00 0.00 61.98 60.12 1isk s VAL 71 Cb 0.00 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.34 1isk s VAL 71 CO 0.00 -0.37 1.58 -0.13 0.00 0.00 0.00 175.10 176.18 1isk s ARG 72 N 1.25 3.79 -0.61 2.72 0.52 0.72 -4.84 118.95 122.50 1isk s ARG 72 Ca 0.02 -1.56 -0.20 0.00 -0.52 0.00 0.00 55.73 53.47 1isk s ARG 72 Cb -0.19 -5.44 0.09 0.00 0.52 0.00 0.00 34.95 29.94 1isk s ARG 72 CO -0.10 -2.22 0.79 0.00 0.02 0.00 0.00 175.30 173.78 1isk s ALA 73 N 4.56 3.31 -0.08 2.13 0.00 -1.25 -0.25 121.76 130.18 1isk s ALA 73 Ca 0.50 -2.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.12 1isk s ALA 73 Cb 0.02 -3.63 0.06 0.00 0.00 0.00 0.00 23.12 19.57 1isk s ALA 73 CO -0.01 -2.48 0.63 0.08 0.00 0.00 0.00 175.76 173.97 1isk s VAL 74 N 3.16 0.01 -1.30 0.00 1.01 0.68 -4.80 120.40 119.16 1isk s VAL 74 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1isk s VAL 74 Cb -0.21 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1isk s VAL 74 CO 0.08 -0.04 0.84 0.00 0.00 0.00 0.00 175.10 175.99 1isk n ALA 75 N 1.24 -1.91 -2.54 5.51 0.00 -1.26 -0.40 120.51 121.15 1isk n ALA 75 Ca -0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 1isk n ALA 75 Cb 0.57 -2.51 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 -3.16 -3.82 0.00 3.02 -1.26 -4.90 115.26 102.09 1isk n ASN 76 Ca -0.25 0.22 -0.25 0.00 -0.03 0.00 0.00 54.58 54.26 1isk n ASN 76 Cb 0.66 -2.71 -0.17 0.00 -0.61 0.00 0.00 39.78 36.94 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 -5.11 0.96 -0.60 3.52 0.41 0.46 -1.09 118.70 117.25 1isk s GLU 77 Ca 0.04 -0.16 -0.13 0.00 -0.41 0.00 0.00 54.97 54.31 1isk s GLU 77 Cb -0.02 -1.46 0.15 0.00 -1.78 0.00 0.00 34.13 31.02 1isk s GLU 77 CO 0.04 -0.37 0.52 0.00 -0.49 0.00 0.00 175.26 174.97 1isk s ALA 78 N 1.84 3.69 -0.75 5.21 0.00 0.02 -0.23 121.76 131.53 1isk s ALA 78 Ca 0.03 -2.81 -0.13 0.00 0.00 0.00 0.00 51.96 49.05 1isk s ALA 78 Cb -0.14 -3.16 0.20 0.00 0.00 0.00 0.00 23.12 20.02 1isk s ALA 78 CO -0.07 -2.06 0.69 0.00 0.00 0.00 0.00 175.76 174.31 1isk s ALA 79 N 1.01 3.96 0.07 0.00 0.00 0.65 -0.39 121.76 127.06 1isk s ALA 79 Ca 0.09 -3.17 0.05 0.00 0.00 0.00 0.00 51.96 48.93 1isk s ALA 79 Cb -0.23 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1isk s ALA 79 CO -0.02 -2.21 -0.05 -0.59 0.00 0.00 0.00 175.76 172.89 1isk s PHE 80 N 0.41 2.88 -0.21 0.00 -0.71 0.37 -0.20 117.98 120.51 1isk s PHE 80 Ca 0.15 -0.08 -0.03 0.00 -1.04 0.00 0.00 56.93 55.94 1isk s PHE 80 Cb -0.15 -1.52 -0.00 0.00 -1.21 0.00 0.00 43.02 40.15 1isk s PHE 80 CO -0.06 0.44 -0.08 0.00 -1.34 0.00 0.00 175.22 174.17 1isk s ALA 81 N -1.20 2.69 0.27 1.99 0.00 -0.36 -0.17 121.76 124.98 1isk s ALA 81 Ca 0.22 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1isk s ALA 81 Cb -0.11 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1isk s ALA 81 CO 0.14 -0.42 0.01 1.97 0.00 0.00 0.00 175.76 177.46 1isk n PHE 82 N 4.75 0.60 -4.50 0.00 -1.74 -0.56 -3.52 117.46 112.49 1isk n PHE 82 Ca -0.19 -1.38 -0.24 0.00 -0.56 0.00 0.00 57.45 55.08 1isk n PHE 82 Cb 0.51 -0.17 -0.10 0.00 1.52 0.00 0.00 39.48 41.23 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 -2.03 2.03 -0.20 1.97 -4.23 -0.47 -2.79 115.64 109.91 1isk s THR 83 Ca 0.01 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.25 1isk s THR 83 Cb 0.00 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.37 1isk s THR 83 CO 0.01 -0.25 0.44 0.68 -0.54 0.00 0.00 174.62 174.96 1isk s VAL 84 N -2.76 -0.47 -0.20 2.29 -7.23 0.21 -1.30 120.40 110.95 1isk s VAL 84 Ca 0.31 0.13 -0.16 0.00 -1.81 0.00 0.00 61.98 60.45 1isk s VAL 84 Cb 0.03 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 1isk s VAL 84 CO 0.15 0.05 0.41 -0.55 -0.31 0.00 0.00 175.10 174.86 1isk s SER 85 N 2.26 6.46 -0.10 4.85 0.15 -0.24 -0.65 113.70 126.42 1isk s SER 85 Ca -0.04 0.55 -0.06 0.00 0.70 0.00 0.00 55.95 57.09 1isk s SER 85 Cb -0.11 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1isk s SER 85 CO -0.13 -0.08 0.24 0.72 1.20 0.00 0.00 173.24 175.18 1isk s PHE 86 N 1.31 -0.30 -0.09 3.44 -0.71 -0.13 0.27 117.98 121.76 1isk s PHE 86 Ca 0.20 0.74 -0.10 0.00 -1.04 0.00 0.00 56.93 56.72 1isk s PHE 86 Cb -0.15 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.67 1isk s PHE 86 CO 0.08 -0.21 0.23 -2.00 -1.34 0.00 0.00 175.22 171.99 1isk s GLU 87 N 1.02 3.71 -0.26 1.99 2.12 -1.26 -1.42 118.70 124.60 1isk s GLU 87 Ca -0.07 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1isk s GLU 87 Cb -0.09 -3.24 0.08 0.00 0.26 0.00 0.00 34.13 31.15 1isk s GLU 87 CO -0.07 0.67 0.02 -0.47 -0.54 0.00 0.00 175.26 174.88 1isk s TYR 88 N -0.82 2.11 -1.33 5.30 6.14 0.15 -4.81 117.35 124.09 1isk s TYR 88 Ca 0.17 -1.74 -0.01 0.00 0.64 0.00 0.00 57.07 56.14 1isk s TYR 88 Cb -0.13 -1.69 0.00 0.00 0.42 0.00 0.00 41.96 40.56 1isk s TYR 88 CO 0.06 -0.80 0.68 0.94 0.64 0.00 0.00 175.55 177.08 1isk n GLN 89 N 4.74 -4.76 0.00 4.97 -0.06 -1.26 -0.58 117.38 120.43 1isk n GLN 89 Ca -0.06 0.60 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 1isk n GLN 89 Cb 0.44 -5.12 0.00 0.00 -4.06 0.00 0.00 30.24 21.50 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1isk n GLY 90 N -1.62 2.61 3.74 1.69 0.00 -1.26 -5.00 105.19 105.34 1isk n GLY 90 Ca -0.29 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 2.55 -0.22 1.61 0.52 0.25 -5.01 118.95 118.65 1isk s ARG 91 Ca 0.00 1.87 0.01 0.00 -0.52 0.00 0.00 55.73 57.09 1isk s ARG 91 Cb 0.00 -1.87 0.05 0.00 0.52 0.00 0.00 34.95 33.65 1isk s ARG 91 CO 0.00 -1.54 -0.09 -1.59 0.02 0.00 0.00 175.30 172.10 1isk s LYS 92 N -3.56 1.91 0.07 3.54 -2.85 -0.43 0.30 119.74 118.72 1isk s LYS 92 Ca 0.78 -0.97 0.07 0.00 -1.00 0.00 0.00 55.97 54.85 1isk s LYS 92 Cb -0.32 -2.55 -0.03 0.00 -2.06 0.00 0.00 37.83 32.87 1isk s LYS 92 CO 0.39 -0.51 -0.19 0.99 0.10 0.00 0.00 175.35 176.13 1isk s THR 93 N 1.35 1.57 -0.22 3.79 2.01 -0.50 0.45 115.64 124.09 1isk s THR 93 Ca -0.04 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.64 1isk s THR 93 Cb -0.18 -1.41 0.05 0.00 0.01 0.00 0.00 72.50 70.98 1isk s THR 93 CO -0.07 0.04 -0.06 0.54 -0.69 0.00 0.00 174.62 174.38 1isk s VAL 94 N -0.99 1.43 0.16 3.82 0.11 -0.40 -0.96 120.40 123.57 1isk s VAL 94 Ca 0.06 -1.07 -0.15 0.00 -2.93 0.00 0.00 61.98 57.89 1isk s VAL 94 Cb -0.09 -1.67 -0.07 0.00 -1.53 0.00 0.00 36.38 33.02 1isk s VAL 94 CO 0.03 -0.03 0.58 -0.69 -3.33 0.00 0.00 175.10 171.65 1isk s VAL 95 N 1.46 4.80 -0.60 2.04 1.01 0.17 -0.87 120.40 128.41 1isk s VAL 95 Ca -0.04 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.92 1isk s VAL 95 Cb -0.18 -3.76 0.23 0.00 0.00 0.00 0.00 36.38 32.68 1isk s VAL 95 CO -0.07 0.24 0.66 0.00 0.00 0.00 0.00 175.10 175.93 1isk n ALA 96 N 0.80 3.68 -1.57 5.51 0.00 0.11 0.68 120.51 129.72 1isk n ALA 96 Ca -0.05 -4.47 -0.31 0.00 0.00 0.00 0.00 53.44 48.62 1isk n ALA 96 Cb 0.52 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.04 2.78 -0.22 0.00 0.04 -1.12 -4.71 135.00 129.73 1isk s PRO 97 Ca 0.37 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1isk s PRO 97 Cb 0.12 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.72 1isk s PRO 97 CO -0.06 -1.20 -0.14 0.42 0.04 0.00 0.00 177.00 176.06 1isk s ILE 98 N -3.07 2.02 -0.02 0.56 1.01 0.38 -1.50 121.20 120.58 1isk s ILE 98 Ca 0.59 -1.23 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1isk s ILE 98 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1isk s ILE 98 CO 0.55 0.24 0.52 -1.81 0.00 0.00 0.00 174.94 174.44 1isk s ASP 99 N 1.23 6.88 -0.58 3.58 1.11 0.76 0.38 116.67 130.04 1isk s ASP 99 Ca -0.02 1.05 0.04 0.00 0.18 0.00 0.00 52.55 53.80 1isk s ASP 99 Cb -0.16 -2.32 0.15 0.00 1.07 0.00 0.00 42.92 41.65 1isk s ASP 99 CO -0.09 0.16 0.35 -2.28 1.18 0.00 0.00 175.17 174.48 1isk s HIS 100 N -0.35 3.22 0.55 4.23 2.46 0.14 -0.48 115.29 125.07 1isk s HIS 100 Ca 0.28 -3.18 -0.19 0.00 0.47 0.00 0.00 55.06 52.44 1isk s HIS 100 Cb -0.17 -2.69 -0.05 0.00 -0.13 0.00 0.00 32.58 29.53 1isk s HIS 100 CO 0.15 -0.67 1.13 -0.06 -2.47 0.00 0.00 174.74 172.82 1isk s PHE 101 N -0.68 2.65 -0.25 3.88 0.40 0.47 -1.44 117.98 123.02 1isk s PHE 101 Ca 0.20 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 1isk s PHE 101 Cb -0.18 -3.29 0.07 0.00 0.51 0.00 0.00 43.02 40.14 1isk s PHE 101 CO -0.06 -1.61 0.01 0.50 0.70 0.00 0.00 175.22 174.75 1isk s ARG 102 N -3.34 1.23 -0.23 0.44 3.52 0.34 -0.80 118.95 120.10 1isk s ARG 102 Ca 0.73 -0.99 -0.15 0.00 -0.13 0.00 0.00 55.73 55.18 1isk s ARG 102 Cb -0.24 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 1isk s ARG 102 CO 0.28 -0.72 0.38 -0.06 -0.81 0.00 0.00 175.30 174.37 1isk s PHE 103 N 1.48 3.32 -0.61 5.12 0.40 -0.25 -3.01 117.98 124.42 1isk s PHE 103 Ca 0.00 0.51 -0.25 0.00 -0.60 0.00 0.00 56.93 56.59 1isk s PHE 103 Cb -0.18 -2.54 0.04 0.00 0.51 0.00 0.00 43.02 40.85 1isk s PHE 103 CO -0.11 -0.10 1.07 1.21 0.70 0.00 0.00 175.22 177.99 1isk s ASN 104 N 1.30 6.30 1.00 1.36 2.47 0.66 -4.75 114.94 123.27 1isk s ASN 104 Ca 0.17 -0.39 -0.19 0.00 0.42 0.00 0.00 52.86 52.87 1isk s ASN 104 Cb -0.15 -2.48 -0.16 0.00 -1.45 0.00 0.00 41.25 37.01 1isk s ASN 104 CO 0.08 -1.44 -0.91 0.61 -3.72 0.00 0.00 177.10 171.72 1isk n GLY 105 N 5.20 -4.44 3.05 1.21 0.00 -1.26 0.28 105.19 109.22 1isk n GLY 105 Ca 0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.64 -1.05 -1.46 4.61 0.00 -1.18 -4.38 120.51 114.40 1isk n ALA 106 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1isk n ALA 106 Cb 0.59 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.66 -0.28 0.00 0.00 0.00 0.13 -4.95 105.19 99.42 1isk n GLY 107 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1isk n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1isk n LYS 108 N 0.00 -3.02 -1.74 1.61 4.76 0.14 -4.95 118.16 114.97 1isk n LYS 108 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1isk n LYS 108 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1isk n LYS 108 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1isk s VAL 109 N -2.46 3.15 0.00 -0.18 1.01 -1.26 -0.25 120.40 120.42 1isk s VAL 109 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1isk s VAL 109 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1isk s VAL 109 CO 0.00 -0.05 0.62 0.52 0.00 0.00 0.00 175.10 176.19 1isk n VAL 110 N 6.37 0.27 -3.55 2.92 0.31 -1.17 0.14 118.33 123.63 1isk n VAL 110 Ca 0.23 -0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.13 1isk n VAL 110 Cb 0.43 0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 34.20 1isk n VAL 110 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1isk s SER 111 N -0.27 -0.56 -0.25 4.52 0.01 -1.16 -1.07 113.70 114.92 1isk s SER 111 Ca 0.00 0.65 -0.26 0.00 1.31 0.00 0.00 55.95 57.65 1isk s SER 111 Cb 0.00 0.51 0.08 0.00 0.21 0.00 0.00 66.02 66.82 1isk s SER 111 CO 0.00 -0.49 0.80 0.00 0.41 0.00 0.00 173.24 173.96 1isk s MET 112 N -1.05 0.78 -0.03 12.44 0.23 0.11 -0.50 119.30 131.27 1isk s MET 112 Ca -0.07 0.81 0.00 0.00 -1.03 0.00 0.00 55.69 55.40 1isk s MET 112 Cb -0.01 0.38 0.03 0.00 -1.53 0.00 0.00 34.83 33.70 1isk s MET 112 CO 0.06 -0.12 -0.01 0.50 -2.03 0.00 0.00 175.02 173.43 1isk s ARG 113 N 0.14 0.39 0.38 3.16 3.52 -0.52 -0.12 118.95 125.91 1isk s ARG 113 Ca -0.00 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1isk s ARG 113 Cb -0.04 -0.56 -0.01 0.00 -1.56 0.00 0.00 34.95 32.77 1isk s ARG 113 CO 0.00 -0.14 0.57 0.00 -0.81 0.00 0.00 175.30 174.93 1isk s ALA 114 N 1.06 3.85 -0.24 6.12 0.00 -0.42 0.25 121.76 132.39 1isk s ALA 114 Ca -0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 1isk s ALA 114 Cb -0.14 -2.00 0.11 0.00 0.00 0.00 0.00 23.12 21.09 1isk s ALA 114 CO -0.02 -0.16 0.22 -0.51 0.00 0.00 0.00 175.76 175.30 1isk s LEU 115 N -4.36 -0.01 -0.12 0.00 1.02 0.16 -4.40 118.68 110.97 1isk s LEU 115 Ca 0.44 -0.60 0.03 0.00 0.02 0.00 0.00 54.13 54.02 1isk s LEU 115 Cb -0.10 0.26 0.01 0.00 0.02 0.00 0.00 46.19 46.38 1isk s LEU 115 CO 0.35 -0.37 -0.20 0.72 0.02 0.00 0.00 176.35 176.87 1isk s PHE 116 N 2.29 2.43 0.45 0.29 -0.71 -1.26 -0.47 117.98 120.99 1isk s PHE 116 Ca 0.08 -1.16 0.06 0.00 -1.04 0.00 0.00 56.93 54.87 1isk s PHE 116 Cb -0.15 -1.67 -0.03 0.00 -1.21 0.00 0.00 43.02 39.96 1isk s PHE 116 CO -0.23 -0.53 0.18 0.20 -1.34 0.00 0.00 175.22 173.50 1isk s GLY 117 N 0.77 2.47 0.44 1.99 0.00 -1.26 -4.93 107.32 106.79 1isk s GLY 117 Ca -0.09 -1.71 0.23 0.00 0.00 0.00 0.00 44.72 43.15 1isk s GLY 117 CO 0.00 -1.98 1.61 0.83 0.00 0.00 0.00 173.10 173.57 1isk h GLU 118 N 1.32 0.00 -0.58 2.90 4.39 -2.00 -2.97 114.58 117.65 1isk h GLU 118 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1isk h GLU 118 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1isk h GLU 118 CO 0.69 0.02 0.00 1.17 -1.16 0.00 0.00 179.01 179.74 1isk n LYS 119 N -3.11 2.29 -0.00 2.33 3.00 -1.26 -3.18 118.16 118.24 1isk n LYS 119 Ca 0.04 -1.33 0.03 0.00 -0.00 0.00 0.00 58.31 57.04 1isk n LYS 119 Cb 0.53 -1.56 -0.04 0.00 0.00 0.00 0.00 35.03 33.96 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1isk n ASN 120 N 0.39 0.62 -4.79 3.14 3.02 -1.12 -4.98 115.26 111.54 1isk n ASN 120 Ca 0.12 -0.58 -0.38 0.00 -0.03 0.00 0.00 54.58 53.71 1isk n ASN 120 Cb 0.49 1.03 -0.06 0.00 -0.61 0.00 0.00 39.78 40.63 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1isk s ILE 121 N -1.67 5.11 -0.43 2.41 1.09 -1.19 0.07 121.20 126.58 1isk s ILE 121 Ca 0.02 0.84 0.02 0.00 -1.10 0.00 0.00 60.65 60.43 1isk s ILE 121 Cb 0.05 -3.73 0.13 0.00 -1.06 0.00 0.00 42.46 37.84 1isk s ILE 121 CO 0.26 0.48 0.21 -1.00 -0.10 0.00 0.00 174.94 174.79 1isk s HIS 122 N -0.37 2.31 0.57 3.97 3.76 -0.05 -4.97 115.29 120.52 1isk s HIS 122 Ca 0.23 -2.53 -0.16 0.00 -0.15 0.00 0.00 55.06 52.45 1isk s HIS 122 Cb -0.16 -2.13 -0.05 0.00 1.11 0.00 0.00 32.58 31.35 1isk s HIS 122 CO 0.11 -0.80 1.03 0.00 -0.85 0.00 0.00 174.74 174.24 1isk s ALA 123 N 0.42 2.86 0.08 -1.40 0.00 -1.26 -1.28 121.76 121.18 1isk s ALA 123 Ca 0.16 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 52.16 1isk s ALA 123 Cb -0.24 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 19.78 1isk s ALA 123 CO -0.03 -0.62 1.16 0.20 0.00 0.00 0.00 175.76 176.47 1isk s GLY 124 N -2.94 -0.07 0.00 0.00 0.00 0.17 -4.93 107.32 99.55 1isk s GLY 124 Ca 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1isk s GLY 124 CO 0.36 3.13 0.39 0.00 0.00 0.00 0.00 173.10 176.98