#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 4.83 0.20 6.12 0.02 -1.26 -4.85 114.94 120.00 1isk s ASN 2 Ca 0.00 -1.92 0.08 0.00 -1.02 0.00 0.00 52.86 50.00 1isk s ASN 2 Cb 0.00 -1.67 -0.04 0.00 0.02 0.00 0.00 41.25 39.56 1isk s ASN 2 CO 0.00 -0.37 0.01 0.42 0.02 0.00 0.00 177.10 177.18 1isk s THR 3 N 1.02 3.70 0.21 1.60 -4.23 -1.26 -4.87 115.64 111.81 1isk s THR 3 Ca 0.06 -1.53 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 1isk s THR 3 Cb -0.20 -2.89 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 1isk s THR 3 CO -0.06 -0.18 1.48 1.55 -0.54 0.00 0.00 174.62 176.88 1isk h PRO 4 N 2.47 0.04 -0.27 3.99 0.13 -1.92 -1.42 132.00 135.01 1isk h PRO 4 Ca -0.47 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 1isk h PRO 4 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1isk h PRO 4 CO 0.59 0.78 -0.40 0.93 -0.23 0.00 0.00 178.00 179.66 1isk h GLU 5 N 0.02 0.75 -0.08 0.86 4.39 -1.98 -1.31 114.58 117.24 1isk h GLU 5 Ca -0.01 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 1isk h GLU 5 Cb 1.34 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1isk h GLU 5 CO 0.10 1.07 -0.07 1.25 -1.16 0.00 0.00 179.01 180.20 1isk h HIS 6 N 0.49 0.21 0.02 4.33 2.76 -1.98 -0.81 115.15 120.18 1isk h HIS 6 Ca 0.03 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1isk h HIS 6 Cb 0.99 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 1isk h HIS 6 CO 0.08 0.61 -0.24 0.52 -1.30 0.00 0.00 177.93 177.60 1isk h MET 7 N -0.24 -0.37 -0.68 5.26 2.86 -1.28 0.22 114.93 120.69 1isk h MET 7 Ca 0.01 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1isk h MET 7 Cb 0.57 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 1isk h MET 7 CO 0.02 -0.25 0.44 1.15 1.06 0.00 0.00 176.91 179.33 1isk h THR 8 N -0.39 1.14 -0.94 2.22 2.02 -1.28 -0.91 112.91 114.77 1isk h THR 8 Ca 0.06 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1isk h THR 8 Cb 0.46 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1isk h THR 8 CO -0.20 0.16 0.61 0.00 0.37 0.00 0.00 175.52 176.46 1isk h ALA 9 N 1.27 1.42 -0.05 6.16 0.00 -0.50 0.46 119.26 128.02 1isk h ALA 9 Ca 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1isk h ALA 9 Cb -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1isk h ALA 9 CO -0.08 0.47 0.02 0.28 0.00 0.00 0.00 179.25 179.95 1isk h VAL 10 N 1.15 1.13 -0.97 0.00 2.07 0.51 -0.73 116.25 119.41 1isk h VAL 10 Ca 0.38 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1isk h VAL 10 Cb 0.06 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1isk h VAL 10 CO -0.12 0.10 0.62 0.58 0.02 0.00 0.00 177.57 178.77 1isk h VAL 11 N -0.07 1.02 -0.31 2.57 2.07 -0.40 0.80 116.25 121.92 1isk h VAL 11 Ca 0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1isk h VAL 11 Cb 0.15 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1isk h VAL 11 CO -0.00 0.19 0.17 -0.61 0.02 0.00 0.00 177.57 177.33 1isk h GLN 12 N 1.05 0.44 -0.46 1.57 5.75 -0.44 -0.52 115.11 122.49 1isk h GLN 12 Ca 0.44 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 1isk h GLN 12 Cb 0.31 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1isk h GLN 12 CO -0.19 0.39 0.15 -0.09 -2.65 0.00 0.00 178.83 176.44 1isk h ARG 13 N 0.38 0.67 -0.48 1.69 2.43 0.09 -1.25 114.38 117.91 1isk h ARG 13 Ca 0.11 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1isk h ARG 13 Cb 0.08 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1isk h ARG 13 CO -0.02 0.58 0.00 -0.92 -1.51 0.00 0.00 179.97 178.11 1isk h TYR 14 N 0.66 0.92 0.77 2.20 5.03 -0.34 0.22 116.97 126.43 1isk h TYR 14 Ca 0.16 -0.16 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1isk h TYR 14 Cb 0.19 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 38.23 1isk h TYR 14 CO 0.01 0.88 -0.37 0.28 -1.32 0.00 0.00 178.16 177.64 1isk h VAL 15 N 0.70 0.12 -0.58 1.81 2.07 -0.63 0.39 116.25 120.14 1isk h VAL 15 Ca 0.14 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1isk h VAL 15 Cb 0.51 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1isk h VAL 15 CO 0.02 0.01 0.19 0.00 0.02 0.00 0.00 177.57 177.82 1isk h ALA 16 N -1.08 0.73 -0.91 1.67 0.00 -1.26 0.12 119.26 118.53 1isk h ALA 16 Ca -0.11 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1isk h ALA 16 Cb 0.81 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1isk h ALA 16 CO 0.17 -0.23 0.59 0.00 0.00 0.00 0.00 179.25 179.79 1isk h ALA 17 N 1.42 1.19 0.45 0.00 0.00 -0.44 0.34 119.26 122.20 1isk h ALA 17 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1isk h ALA 17 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1isk h ALA 17 CO -0.32 0.46 -0.30 1.25 0.00 0.00 0.00 179.25 180.35 1isk h LEU 18 N 1.15 -0.76 -1.74 0.00 5.85 0.22 0.83 115.31 120.87 1isk h LEU 18 Ca 0.36 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.16 1isk h LEU 18 Cb -0.02 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1isk h LEU 18 CO -0.11 -0.46 0.23 -1.13 -0.34 0.00 0.00 178.44 176.62 1isk h ASN 19 N -0.72 0.29 1.58 1.25 -1.24 -0.55 0.38 115.58 116.58 1isk h ASN 19 Ca -0.05 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1isk h ASN 19 Cb 0.60 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1isk h ASN 19 CO 0.03 0.20 0.00 0.00 -1.29 0.00 0.00 177.43 176.37 1isk h ALA 20 N 1.81 1.00 -3.46 1.57 0.00 0.68 -3.47 119.26 117.38 1isk h ALA 20 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1isk h ALA 20 Cb 0.13 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.99 1isk h ALA 20 CO -0.03 0.00 -0.32 0.41 0.00 0.00 0.00 179.25 179.30 1isk n GLY 21 N 0.69 0.15 3.35 0.00 0.00 0.27 -4.98 105.19 104.67 1isk n GLY 21 Ca 0.03 -0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 1isk n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1isk s ASP 22 N -3.47 6.71 0.00 1.61 -1.08 -0.05 -4.87 116.67 115.52 1isk s ASP 22 Ca 0.07 -2.53 -0.25 0.00 -0.52 0.00 0.00 52.55 49.32 1isk s ASP 22 Cb -0.03 -2.25 -0.19 0.00 -1.46 0.00 0.00 42.92 38.99 1isk s ASP 22 CO 0.32 -0.68 1.37 -0.07 0.52 0.00 0.00 175.17 176.63 1isk h LEU 23 N 8.32 -0.01 0.69 -1.34 3.38 -1.94 0.23 115.31 124.65 1isk h LEU 23 Ca 0.10 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1isk h LEU 23 Cb 1.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1isk h LEU 23 CO 0.83 0.36 -0.33 -0.78 0.09 0.00 0.00 178.44 178.61 1isk h ASP 24 N -0.39 -0.78 -0.36 -0.43 3.58 -1.97 0.39 116.42 116.47 1isk h ASP 24 Ca -0.00 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.54 1isk h ASP 24 Cb 0.38 0.20 -0.07 0.00 1.72 0.00 0.00 39.33 41.56 1isk h ASP 24 CO 0.00 -0.53 -0.11 1.23 -2.88 0.00 0.00 179.24 176.95 1isk h GLY 25 N -0.97 0.23 1.42 -0.78 0.00 -1.96 0.46 103.07 101.47 1isk h GLY 25 Ca -0.09 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1isk h GLY 25 CO 0.16 -0.15 0.35 -2.22 0.00 0.00 0.00 176.54 174.68 1isk h ILE 26 N -0.03 1.16 0.00 2.60 2.04 -0.41 0.50 117.51 123.37 1isk h ILE 26 Ca 0.18 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1isk h ILE 26 Cb 0.29 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1isk h ILE 26 CO -0.39 0.16 -0.24 0.58 0.00 0.00 0.00 178.15 178.27 1isk h VAL 27 N 0.79 0.61 0.00 1.67 2.07 0.22 -2.28 116.25 119.33 1isk h VAL 27 Ca 0.21 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1isk h VAL 27 Cb -0.04 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1isk h VAL 27 CO -0.04 0.23 -0.88 0.00 0.02 0.00 0.00 177.57 176.90 1isk h ALA 28 N 1.76 0.59 -0.95 1.67 0.00 0.25 -3.33 119.26 119.25 1isk h ALA 28 Ca -0.00 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1isk h ALA 28 Cb 0.73 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1isk h ALA 28 CO 0.03 0.09 0.57 -0.07 0.00 0.00 0.00 179.25 179.87 1isk h LEU 29 N 0.00 0.81-10.23 0.00 3.38 0.47 -3.43 115.31 106.31 1isk h LEU 29 Ca -0.01 0.06 -0.65 0.00 0.09 0.00 0.00 57.88 57.37 1isk h LEU 29 Cb 1.05 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 1isk h LEU 29 CO 0.00 0.40 -0.41 0.72 0.09 0.00 0.00 178.44 179.25 1isk s PHE 30 N -5.96 1.63 1.00 1.13 -0.12 -1.24 -4.72 117.98 109.71 1isk s PHE 30 Ca -0.12 -0.96 -0.15 0.00 -0.05 0.00 0.00 56.93 55.65 1isk s PHE 30 Cb 0.22 -1.71 0.11 0.00 -0.63 0.00 0.00 43.02 41.01 1isk s PHE 30 CO 0.80 -0.12 0.02 0.00 -0.05 0.00 0.00 175.22 175.88 1isk n ALA 31 N -1.52 -1.73 0.17 1.99 0.00 0.16 -4.91 120.51 114.66 1isk n ALA 31 Ca -0.14 -1.07 0.11 0.00 0.00 0.00 0.00 53.44 52.34 1isk n ALA 31 Cb 0.66 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.59 0.27 -0.37 0.00 5.68 -1.26 -4.10 116.55 116.18 1isk n ASP 32 Ca 0.03 -0.09 0.05 0.00 -0.50 0.00 0.00 54.79 54.28 1isk n ASP 32 Cb 0.44 1.60 0.12 0.00 -1.14 0.00 0.00 41.12 42.13 1isk n ASP 32 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1isk n ASP 33 N -2.20 2.67 -4.51 -1.12 8.00 -1.26 0.19 116.55 118.33 1isk n ASP 33 Ca -0.02 -2.35 -0.30 0.00 0.71 0.00 0.00 54.79 52.83 1isk n ASP 33 Cb 0.53 -0.24 0.22 0.00 -0.02 0.00 0.00 41.12 41.61 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isk n ALA 34 N -0.33 -2.40 -2.35 2.24 0.00 -1.26 -3.80 120.51 112.61 1isk n ALA 34 Ca 0.10 -0.98 -0.30 0.00 0.00 0.00 0.00 53.44 52.27 1isk n ALA 34 Cb 0.48 -2.00 -0.15 0.00 0.00 0.00 0.00 19.45 17.78 1isk n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1isk s THR 35 N -2.46 2.06 -0.00 0.00 -4.23 0.06 -1.27 115.64 109.80 1isk s THR 35 Ca 0.66 -1.30 0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1isk s THR 35 Cb -0.23 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 1isk s THR 35 CO 0.63 0.40 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.23 1isk s VAL 36 N -0.75 1.53 -0.33 2.29 1.01 0.38 -0.53 120.40 124.00 1isk s VAL 36 Ca 0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1isk s VAL 36 Cb -0.10 -1.28 0.12 0.00 0.00 0.00 0.00 36.38 35.12 1isk s VAL 36 CO 0.01 0.38 0.17 -0.70 0.00 0.00 0.00 175.10 174.97 1isk s GLU 37 N -0.58 0.41 -0.05 2.72 2.56 0.19 0.33 118.70 124.29 1isk s GLU 37 Ca 0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 54.97 54.01 1isk s GLU 37 Cb -0.08 -1.27 0.02 0.00 2.00 0.00 0.00 34.13 34.80 1isk s GLU 37 CO -0.00 -1.13 0.12 0.34 -0.56 0.00 0.00 175.26 174.03 1isk s ASP 38 N 1.50 -0.11 0.00 -1.70 2.15 -1.26 -1.05 116.67 116.20 1isk s ASP 38 Ca 0.14 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1isk s ASP 38 Cb -0.20 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 1isk s ASP 38 CO -0.15 -0.07 0.10 -0.81 -0.17 0.00 0.00 175.17 174.06 1isk n PRO 39 N 3.38 0.00 -3.55 4.34 -0.04 -1.26 -5.00 135.00 132.87 1isk n PRO 39 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1isk n PRO 39 Cb 0.57 -0.52 -0.04 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.20 0.03 0.00 0.52 1.01 -1.25 -3.95 120.40 116.56 1isk s VAL 40 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1isk s VAL 40 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1isk s VAL 40 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1isk n GLY 41 N 0.12 4.03 0.00 4.51 0.00 -1.26 -5.08 105.19 107.51 1isk n GLY 41 Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1isk n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1isk n SER 42 N 0.00 0.00 -2.60 1.61 7.64 -1.26 -5.09 113.62 113.92 1isk n SER 42 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1isk n SER 42 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1isk n SER 42 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1isk n GLU 43 N -1.02 -1.26 0.00 1.43 2.13 -1.26 -4.95 120.64 115.70 1isk n GLU 43 Ca 0.00 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1isk n GLU 43 Cb 0.00 -4.31 0.00 0.00 0.27 0.00 0.00 31.44 27.40 1isk n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1isk n PRO 44 N -2.25 -0.49 -3.95 5.31 -0.04 -1.26 -4.86 135.00 127.45 1isk n PRO 44 Ca -0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 1isk n PRO 44 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 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 -2.99 0.60 -0.22 0.54 1.81 0.15 -4.97 118.95 113.87 1isk s ARG 45 Ca 0.00 -0.84 -0.17 0.00 -1.72 0.00 0.00 55.73 53.00 1isk s ARG 45 Cb 0.00 0.23 0.06 0.00 -0.45 0.00 0.00 34.95 34.79 1isk s ARG 45 CO 0.00 -0.15 0.58 -1.54 -0.68 0.00 0.00 175.30 173.51 1isk s SER 46 N -2.28 -0.66 0.00 0.23 1.04 -1.26 -0.47 113.70 110.30 1isk s SER 46 Ca -0.03 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1isk s SER 46 Cb 0.00 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.28 1isk s SER 46 CO -0.06 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1isk n GLY 47 N 3.34 1.74 0.65 7.32 0.00 -0.39 -4.30 105.19 113.55 1isk n GLY 47 Ca -0.17 -1.27 0.44 0.00 0.00 0.00 0.00 46.02 45.02 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 0.03 0.68 2.61 1.03 0.18 0.89 112.91 118.33 1isk h THR 48 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.37 1isk h THR 48 Cb 0.00 0.03 0.01 0.00 -1.07 0.00 0.00 68.15 67.12 1isk h THR 48 CO 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 175.52 175.18 1isk h ALA 49 N 0.88 -0.91 -0.50 0.00 0.00 -1.86 0.39 119.26 117.26 1isk h ALA 49 Ca 0.77 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.40 1isk h ALA 49 Cb 3.42 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 21.53 1isk h ALA 49 CO -0.01 -0.93 0.06 0.00 0.00 0.00 0.00 179.25 178.37 1isk h ALA 50 N -0.86 1.16 -0.59 0.00 0.00 0.44 -1.13 119.26 118.28 1isk h ALA 50 Ca -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1isk h ALA 50 Cb 0.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1isk h ALA 50 CO 0.15 0.55 0.28 0.82 0.00 0.00 0.00 179.25 181.06 1isk h ILE 51 N 0.76 1.20 0.56 0.00 2.04 -0.52 0.28 117.51 121.83 1isk h ILE 51 Ca 0.16 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1isk h ILE 51 Cb 0.38 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1isk h ILE 51 CO 0.01 0.23 -0.27 0.03 0.00 0.00 0.00 178.15 178.15 1isk h ARG 52 N 0.84 -0.73 -0.57 2.37 2.47 0.60 -0.79 114.38 118.57 1isk h ARG 52 Ca 0.21 0.05 0.15 0.00 -1.26 0.00 0.00 59.98 59.12 1isk h ARG 52 Cb 0.10 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1isk h ARG 52 CO -0.03 -0.49 0.40 1.05 0.56 0.00 0.00 179.97 181.47 1isk h GLU 53 N -1.18 0.11 0.07 0.04 4.11 -1.14 0.23 114.58 116.82 1isk h GLU 53 Ca -0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1isk h GLU 53 Cb 0.58 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1isk h GLU 53 CO 0.13 0.08 -0.03 0.35 0.07 0.00 0.00 179.01 179.60 1isk h PHE 54 N 0.12 -0.09 -0.53 2.06 3.57 -0.37 -1.45 116.94 120.25 1isk h PHE 54 Ca 0.27 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.92 1isk h PHE 54 Cb 0.92 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1isk h PHE 54 CO -0.00 -0.05 0.45 1.88 -2.23 0.00 0.00 178.31 178.36 1isk h TYR 55 N -0.14 0.00 0.64 0.41 0.05 -0.92 -0.40 116.97 116.60 1isk h TYR 55 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1isk h TYR 55 Cb 0.07 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.82 1isk h TYR 55 CO 0.11 0.00 -0.31 0.00 -1.05 0.00 0.00 178.16 176.92 1isk h ALA 56 N 1.60 -0.85 -0.77 3.88 0.00 -0.56 0.13 119.26 122.69 1isk h ALA 56 Ca 0.25 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1isk h ALA 56 Cb 1.15 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1isk h ALA 56 CO -0.00 -0.80 0.52 -0.91 0.00 0.00 0.00 179.25 178.06 1isk h ASN 57 N -1.22 0.26 0.55 0.00 2.35 -0.23 0.22 115.58 117.51 1isk h ASN 57 Ca -0.09 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1isk h ASN 57 Cb 0.66 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.01 1isk h ASN 57 CO 0.14 0.12 -0.26 0.28 -1.65 0.00 0.00 177.43 176.07 1isk h SER 58 N 0.27 -0.62 -0.03 5.81 0.02 -0.96 -2.81 113.55 115.23 1isk h SER 58 Ca 0.38 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1isk h SER 58 Cb 1.08 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1isk h SER 58 CO -0.09 -0.23 0.17 -0.07 -1.14 0.00 0.00 176.83 175.47 1isk h LEU 59 N -1.12 0.00 -1.86 5.07 3.38 0.23 0.70 115.31 121.71 1isk h LEU 59 Ca -0.08 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1isk h LEU 59 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1isk h LEU 59 CO 0.12 0.00 0.42 0.50 0.09 0.00 0.00 178.44 179.58 1isk h LYS 60 N 0.00 0.00 -5.81 1.13 3.11 -0.34 -3.38 116.57 111.28 1isk h LYS 60 Ca 0.01 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.28 1isk h LYS 60 Cb 0.35 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.51 1isk h LYS 60 CO -0.00 0.00 -0.07 -1.17 -2.81 0.00 0.00 179.45 175.40 1isk s LEU 61 N -6.21 4.28 -0.87 5.20 2.96 0.24 -4.99 118.68 119.28 1isk s LEU 61 Ca -0.03 0.91 -0.25 0.00 -0.22 0.00 0.00 54.13 54.54 1isk s LEU 61 Cb 0.10 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.99 1isk s LEU 61 CO 0.34 -0.04 1.65 -2.16 -1.32 0.00 0.00 176.35 174.82 1isk s PRO 62 N 0.73 3.03 0.36 0.98 0.04 -1.26 -4.91 135.00 133.97 1isk s PRO 62 Ca 0.29 -0.42 0.07 0.00 0.04 0.00 0.00 61.00 60.98 1isk s PRO 62 Cb -0.16 -4.90 -0.03 0.00 0.04 0.00 0.00 34.50 29.45 1isk s PRO 62 CO 0.12 -2.67 0.25 -0.48 0.04 0.00 0.00 177.00 174.27 1isk s LEU 63 N 7.44 1.83 -0.25 -3.56 0.05 -1.26 -4.11 118.68 118.83 1isk s LEU 63 Ca 0.55 -1.77 -0.04 0.00 0.05 0.00 0.00 54.13 52.92 1isk s LEU 63 Cb -0.06 0.42 0.09 0.00 -2.05 0.00 0.00 46.19 44.59 1isk s LEU 63 CO 0.02 -1.06 0.12 0.00 -0.55 0.00 0.00 176.35 174.89 1isk s ALA 64 N -3.35 0.51 0.20 1.48 0.00 0.12 -4.92 121.76 115.80 1isk s ALA 64 Ca 0.36 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 1isk s ALA 64 Cb 0.02 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 1isk s ALA 64 CO 0.25 -1.50 0.71 0.08 0.00 0.00 0.00 175.76 175.30 1isk s VAL 65 N 2.12 4.58 -0.28 0.00 1.01 -1.26 -1.24 120.40 125.34 1isk s VAL 65 Ca 0.07 1.28 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 1isk s VAL 65 Cb -0.16 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.44 1isk s VAL 65 CO -0.28 0.26 0.83 -0.70 0.00 0.00 0.00 175.10 175.21 1isk s GLU 66 N -1.84 0.65 1.14 2.72 2.12 -0.40 -4.75 118.70 118.34 1isk s GLU 66 Ca 0.41 0.91 -0.17 0.00 0.36 0.00 0.00 54.97 56.48 1isk s GLU 66 Cb -0.17 0.24 0.26 0.00 0.26 0.00 0.00 34.13 34.72 1isk s GLU 66 CO 0.21 -0.10 1.11 -0.51 -0.54 0.00 0.00 175.26 175.43 1isk s LEU 67 N 0.85 0.97 0.00 2.70 1.43 -1.26 -0.23 118.68 123.14 1isk s LEU 67 Ca -0.03 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1isk s LEU 67 Cb -0.05 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1isk s LEU 67 CO -0.09 -3.83 0.00 1.07 0.23 0.00 0.00 176.35 173.73 1isk n THR 68 N -4.58 0.00 0.00 5.49 5.66 -1.26 -4.71 114.28 114.87 1isk n THR 68 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1isk n THR 68 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 6.02 -1.23 -5.10 117.38 118.17 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 -0.26 0.00 0.00 1.02 0.00 0.00 30.24 31.00 1isk n GLN 69 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1isk n GLU 70 N -0.08 -2.18 -5.15 -1.09 0.28 -1.24 -5.02 120.64 106.16 1isk n GLU 70 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1isk n GLU 70 Cb 0.00 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.71 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1isk s VAL 71 N -2.00 1.85 -0.75 3.84 1.01 -1.26 -1.17 120.40 121.93 1isk s VAL 71 Ca 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1isk s VAL 71 Cb 0.00 -1.56 0.19 0.00 0.00 0.00 0.00 36.38 35.01 1isk s VAL 71 CO 0.00 0.52 0.60 -0.60 0.00 0.00 0.00 175.10 175.62 1isk s ARG 72 N -0.29 2.95 -0.13 2.72 6.06 0.14 -4.91 118.95 125.50 1isk s ARG 72 Ca 0.02 -2.78 -0.16 0.00 -2.50 0.00 0.00 55.73 50.31 1isk s ARG 72 Cb -0.11 -3.90 -0.04 0.00 0.06 0.00 0.00 34.95 30.95 1isk s ARG 72 CO 0.01 -1.22 0.38 0.00 -2.50 0.00 0.00 175.30 171.98 1isk s ALA 73 N -0.48 3.55 0.00 6.12 0.00 -1.26 -0.50 121.76 129.19 1isk s ALA 73 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1isk s ALA 73 Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1isk s ALA 73 CO -0.07 0.08 0.00 0.28 0.00 0.00 0.00 175.76 176.05 1isk n VAL 74 N 3.51 0.00 -1.52 0.00 0.31 0.22 -4.89 118.33 115.97 1isk n VAL 74 Ca -0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.84 1isk n VAL 74 Cb 0.52 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.54 -4.18 3.52 0.00 -1.26 -1.36 120.51 114.77 1isk n ALA 75 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 53.44 52.49 1isk n ALA 75 Cb 0.00 -2.71 -0.07 0.00 0.00 0.00 0.00 19.45 16.66 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 13.00 -1.35 -4.17 0.00 3.02 -1.26 -4.87 115.26 119.63 1isk n ASN 76 Ca 0.52 -1.10 -0.13 0.00 -0.03 0.00 0.00 54.58 53.83 1isk n ASN 76 Cb 0.27 -1.41 -0.11 0.00 -0.61 0.00 0.00 39.78 37.93 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 -6.54 0.83 -0.42 3.52 2.02 -0.47 -0.64 118.70 117.01 1isk s GLU 77 Ca 0.66 -1.20 0.08 0.00 0.02 0.00 0.00 54.97 54.53 1isk s GLU 77 Cb -0.39 -0.41 0.18 0.00 0.10 0.00 0.00 34.13 33.61 1isk s GLU 77 CO 0.90 0.05 0.63 0.00 0.02 0.00 0.00 175.26 176.86 1isk s ALA 78 N -2.79 -2.29 -0.40 5.21 0.00 0.14 -0.61 121.76 121.04 1isk s ALA 78 Ca 0.07 0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.08 1isk s ALA 78 Cb -0.01 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.47 1isk s ALA 78 CO -0.01 -2.22 0.21 0.00 0.00 0.00 0.00 175.76 173.74 1isk s ALA 79 N 1.76 3.21 0.21 0.00 0.00 0.34 0.32 121.76 127.60 1isk s ALA 79 Ca 0.17 -2.10 0.11 0.00 0.00 0.00 0.00 51.96 50.14 1isk s ALA 79 Cb -0.04 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 1isk s ALA 79 CO -0.07 -1.59 -0.17 -0.59 0.00 0.00 0.00 175.76 173.34 1isk s PHE 80 N 1.38 2.42 -0.19 0.00 -0.12 -0.07 0.27 117.98 121.68 1isk s PHE 80 Ca 0.02 -0.30 -0.03 0.00 -0.05 0.00 0.00 56.93 56.57 1isk s PHE 80 Cb -0.22 -1.16 -0.02 0.00 -0.63 0.00 0.00 43.02 41.00 1isk s PHE 80 CO 0.01 0.56 -0.05 0.00 -0.05 0.00 0.00 175.22 175.68 1isk s ALA 81 N -1.89 2.84 0.30 1.99 0.00 -0.32 -0.24 121.76 124.43 1isk s ALA 81 Ca 0.24 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1isk s ALA 81 Cb -0.07 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.41 1isk s ALA 81 CO 0.13 -0.13 -0.00 -0.59 0.00 0.00 0.00 175.76 175.17 1isk s PHE 82 N 0.96 1.93 0.35 0.00 -0.71 -0.49 -3.47 117.98 116.55 1isk s PHE 82 Ca -0.00 -0.83 0.07 0.00 -1.04 0.00 0.00 56.93 55.13 1isk s PHE 82 Cb -0.15 -1.19 -0.02 0.00 -1.21 0.00 0.00 43.02 40.45 1isk s PHE 82 CO 0.01 0.14 0.33 0.95 -1.34 0.00 0.00 175.22 175.30 1isk s THR 83 N -3.17 3.50 -0.20 -4.49 -4.23 0.69 -2.14 115.64 105.60 1isk s THR 83 Ca 0.32 -1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.44 1isk s THR 83 Cb 0.06 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 70.80 1isk s THR 83 CO 0.13 -0.15 0.42 0.68 -0.54 0.00 0.00 174.62 175.17 1isk s VAL 84 N -2.31 -0.52 -0.26 2.29 -7.23 0.22 -1.27 120.40 111.32 1isk s VAL 84 Ca 0.42 0.15 -0.09 0.00 -1.81 0.00 0.00 61.98 60.65 1isk s VAL 84 Cb -0.06 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1isk s VAL 84 CO 0.27 0.06 0.12 -0.55 -0.31 0.00 0.00 175.10 174.69 1isk s SER 85 N 2.37 5.55 0.01 4.85 0.15 -0.37 -0.88 113.70 125.38 1isk s SER 85 Ca -0.03 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 1isk s SER 85 Cb -0.11 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1isk s SER 85 CO -0.13 -0.02 0.01 0.72 1.20 0.00 0.00 173.24 175.02 1isk s PHE 86 N 1.55 0.13 -0.26 3.44 -0.71 -0.56 0.13 117.98 121.70 1isk s PHE 86 Ca 0.06 -0.27 -0.08 0.00 -1.04 0.00 0.00 56.93 55.60 1isk s PHE 86 Cb -0.15 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 1isk s PHE 86 CO 0.06 -0.13 0.11 -2.00 -1.34 0.00 0.00 175.22 171.91 1isk s GLU 87 N -0.90 3.76 0.23 1.99 2.12 -1.26 -0.91 118.70 123.72 1isk s GLU 87 Ca -0.10 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.82 1isk s GLU 87 Cb -0.06 -3.42 0.04 0.00 0.26 0.00 0.00 34.13 30.95 1isk s GLU 87 CO -0.00 -0.17 0.32 0.66 -0.54 0.00 0.00 175.26 175.53 1isk n TYR 88 N 4.91 -2.96 -1.51 5.30 4.01 0.19 -4.88 117.16 122.22 1isk n TYR 88 Ca -0.16 -0.70 -0.25 0.00 -0.16 0.00 0.00 57.90 56.64 1isk n TYR 88 Cb 0.52 -0.22 -0.19 0.00 -0.31 0.00 0.00 39.34 39.13 1isk n TYR 88 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1isk n GLN 89 N -1.54 0.10 -3.77 -0.72 1.13 -1.26 -0.51 117.38 110.81 1isk n GLN 89 Ca 0.06 -0.10 -0.26 0.00 -1.94 0.00 0.00 57.00 54.75 1isk n GLN 89 Cb 0.21 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 29.10 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 5.85 -0.56 3.74 1.08 0.00 -1.26 -4.95 105.19 109.08 1isk n GLY 90 Ca 0.64 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.91 1isk n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1isk s ARG 91 N -6.13 0.98 0.08 1.61 1.70 0.34 -5.02 118.95 112.50 1isk s ARG 91 Ca 0.19 -0.56 0.04 0.00 -0.47 0.00 0.00 55.73 54.94 1isk s ARG 91 Cb -0.07 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1isk s ARG 91 CO 0.85 -0.45 -0.12 0.15 -1.08 0.00 0.00 175.30 174.65 1isk s LYS 92 N -2.91 0.80 -0.10 3.89 3.01 -0.22 0.52 119.74 124.73 1isk s LYS 92 Ca 0.14 -1.01 -0.19 0.00 -1.01 0.00 0.00 55.97 53.90 1isk s LYS 92 Cb 0.00 -0.67 0.04 0.00 -1.01 0.00 0.00 37.83 36.20 1isk s LYS 92 CO 0.01 0.13 0.48 0.99 0.51 0.00 0.00 175.35 177.47 1isk s THR 93 N -1.69 0.02 -0.29 2.17 2.01 -0.09 -0.83 115.64 116.94 1isk s THR 93 Ca -0.00 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1isk s THR 93 Cb -0.08 -0.73 0.08 0.00 0.01 0.00 0.00 72.50 71.78 1isk s THR 93 CO 0.01 -0.08 0.00 -0.69 -0.69 0.00 0.00 174.62 173.17 1isk s VAL 94 N -0.55 1.80 0.16 3.82 1.01 0.62 -1.50 120.40 125.76 1isk s VAL 94 Ca -0.07 -1.74 -0.08 0.00 0.00 0.00 0.00 61.98 60.09 1isk s VAL 94 Cb -0.03 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1isk s VAL 94 CO 0.04 -0.37 0.45 -0.69 0.00 0.00 0.00 175.10 174.52 1isk s VAL 95 N 1.20 5.06 -0.59 2.92 1.01 -0.06 -0.50 120.40 129.44 1isk s VAL 95 Ca 0.03 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1isk s VAL 95 Cb -0.19 -3.63 0.23 0.00 0.00 0.00 0.00 36.38 32.79 1isk s VAL 95 CO -0.10 0.07 0.63 0.00 0.00 0.00 0.00 175.10 175.70 1isk n ALA 96 N 0.24 3.55 -1.56 5.51 0.00 0.98 0.73 120.51 129.96 1isk n ALA 96 Ca -0.03 -4.35 -0.30 0.00 0.00 0.00 0.00 53.44 48.76 1isk n ALA 96 Cb 0.52 -0.90 0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.86 2.30 -0.19 0.00 0.04 -0.91 -4.72 135.00 129.66 1isk s PRO 97 Ca 0.36 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.11 1isk s PRO 97 Cb 0.11 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1isk s PRO 97 CO -0.07 -1.49 -0.16 0.42 0.04 0.00 0.00 177.00 175.74 1isk s ILE 98 N -3.13 2.42 -0.11 0.56 1.01 0.70 -1.39 121.20 121.26 1isk s ILE 98 Ca 0.60 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 1isk s ILE 98 Cb -0.14 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1isk s ILE 98 CO 0.54 0.51 0.43 -1.81 0.00 0.00 0.00 174.94 174.62 1isk s ASP 99 N 1.31 6.66 -0.17 3.58 -0.00 0.67 -0.35 116.67 128.37 1isk s ASP 99 Ca 0.05 0.78 -0.02 0.00 -0.00 0.00 0.00 52.55 53.35 1isk s ASP 99 Cb -0.13 -2.26 -0.02 0.00 -0.00 0.00 0.00 42.92 40.51 1isk s ASP 99 CO -0.10 0.07 -0.08 -1.00 -0.00 0.00 0.00 175.17 174.06 1isk s HIS 100 N 0.35 2.91 -0.08 4.23 3.76 0.14 -0.89 115.29 125.72 1isk s HIS 100 Ca 0.24 -0.65 0.04 0.00 -0.15 0.00 0.00 55.06 54.54 1isk s HIS 100 Cb -0.15 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.57 1isk s HIS 100 CO 0.10 -0.28 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.46 1isk s PHE 101 N 0.72 2.61 -0.26 1.40 0.08 0.15 -1.01 117.98 121.68 1isk s PHE 101 Ca -0.04 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.47 1isk s PHE 101 Cb -0.15 -1.67 0.07 0.00 -0.57 0.00 0.00 43.02 40.69 1isk s PHE 101 CO 0.02 -0.11 -0.05 1.03 -0.10 0.00 0.00 175.22 176.00 1isk s ARG 102 N -0.17 1.75 0.51 0.44 0.52 -0.41 0.26 118.95 121.85 1isk s ARG 102 Ca -0.02 -1.19 -0.11 0.00 -0.52 0.00 0.00 55.73 53.89 1isk s ARG 102 Cb -0.14 -2.71 -0.06 0.00 0.52 0.00 0.00 34.95 32.57 1isk s ARG 102 CO 0.04 -0.64 0.90 -0.06 0.02 0.00 0.00 175.30 175.56 1isk s PHE 103 N 1.27 3.53 -0.66 -0.53 0.08 0.19 -2.84 117.98 119.02 1isk s PHE 103 Ca -0.04 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1isk s PHE 103 Cb -0.19 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 1isk s PHE 103 CO -0.07 -0.37 0.00 0.27 -0.10 0.00 0.00 175.22 174.95 1isk n ASN 104 N -1.97 0.00 -3.01 1.36 6.94 0.14 -4.79 115.26 113.92 1isk n ASN 104 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.49 1isk n ASN 104 Cb 0.54 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.97 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1isk n GLY 105 N -0.09 -1.62 5.00 4.83 0.00 -1.26 -0.55 105.19 111.49 1isk n GLY 105 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1isk n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk n ALA 106 N 0.28 0.00 0.00 4.61 0.00 -1.26 -3.43 120.51 120.70 1isk n ALA 106 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1isk n ALA 106 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 -1.81 3.54 0.00 0.00 -1.15 -4.88 105.19 100.89 1isk n GLY 107 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 46.02 46.63 1isk n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isk s LYS 108 N 0.00 0.95 -0.10 1.61 1.02 0.28 -4.91 119.74 118.60 1isk s LYS 108 Ca 0.00 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.20 1isk s LYS 108 Cb 0.00 0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 37.73 1isk s LYS 108 CO 0.00 -0.24 1.39 0.08 -0.92 0.00 0.00 175.35 175.66 1isk s VAL 109 N -0.61 3.99 0.00 3.17 1.01 -1.26 -0.69 120.40 126.02 1isk s VAL 109 Ca -0.07 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1isk s VAL 109 Cb -0.02 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1isk s VAL 109 CO 0.06 -0.08 0.54 0.52 0.00 0.00 0.00 175.10 176.14 1isk n VAL 110 N 5.23 0.09 -3.72 2.92 0.31 -1.13 0.39 118.33 122.42 1isk n VAL 110 Ca 0.14 -0.54 -0.13 0.00 -0.01 0.00 0.00 64.34 63.80 1isk n VAL 110 Cb 0.44 0.96 -0.10 0.00 -0.91 0.00 0.00 33.84 34.23 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 -0.09 -0.47 -0.19 4.52 0.01 -1.21 -0.76 113.70 115.52 1isk s SER 111 Ca 0.00 0.90 -0.13 0.00 1.31 0.00 0.00 55.95 58.03 1isk s SER 111 Cb 0.00 0.90 0.06 0.00 0.21 0.00 0.00 66.02 67.19 1isk s SER 111 CO 0.00 -0.16 0.47 0.00 0.41 0.00 0.00 173.24 173.97 1isk s MET 112 N 0.31 0.49 -0.04 12.44 0.23 0.31 -1.28 119.30 131.75 1isk s MET 112 Ca -0.01 0.81 0.02 0.00 -1.03 0.00 0.00 55.69 55.49 1isk s MET 112 Cb -0.03 0.09 0.01 0.00 -1.53 0.00 0.00 34.83 33.37 1isk s MET 112 CO -0.00 -0.13 -0.08 0.50 -2.03 0.00 0.00 175.02 173.28 1isk s ARG 113 N 1.07 1.12 -0.23 3.16 3.52 -0.18 -0.63 118.95 126.79 1isk s ARG 113 Ca -0.07 -0.25 -0.07 0.00 -0.13 0.00 0.00 55.73 55.21 1isk s ARG 113 Cb -0.06 -1.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.28 1isk s ARG 113 CO -0.10 0.01 0.06 0.00 -0.81 0.00 0.00 175.30 174.46 1isk s ALA 114 N 0.62 3.19 -0.13 6.12 0.00 -0.21 0.28 121.76 131.62 1isk s ALA 114 Ca -0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 1isk s ALA 114 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1isk s ALA 114 CO 0.01 -0.28 -0.01 -0.51 0.00 0.00 0.00 175.76 174.98 1isk s LEU 115 N 1.23 3.48 0.00 0.00 1.02 0.53 -3.87 118.68 121.07 1isk s LEU 115 Ca 0.04 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.24 1isk s LEU 115 Cb -0.14 -1.82 0.06 0.00 0.02 0.00 0.00 46.19 44.30 1isk s LEU 115 CO 0.03 0.27 0.45 0.49 0.02 0.00 0.00 176.35 177.60 1isk n PHE 116 N 2.89 -2.95 -4.13 0.29 3.72 -1.26 -0.21 117.46 115.80 1isk n PHE 116 Ca -0.18 -0.93 -0.13 0.00 -0.05 0.00 0.00 57.45 56.16 1isk n PHE 116 Cb 0.53 -0.32 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 1isk n PHE 116 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1isk s GLY 117 N -3.53 1.37 -0.05 1.37 0.00 -1.26 -4.84 107.32 100.38 1isk s GLY 117 Ca 0.31 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1isk s GLY 117 CO 0.20 -1.12 -0.01 -1.84 0.00 0.00 0.00 173.10 170.34 1isk n GLU 118 N -0.43 2.01 -0.57 2.90 0.28 -1.26 -4.58 120.64 118.99 1isk n GLU 118 Ca 0.02 0.01 0.09 0.00 -0.16 0.00 0.00 57.16 57.12 1isk n GLU 118 Cb 0.63 -1.12 0.33 0.00 1.43 0.00 0.00 31.44 32.72 1isk n GLU 118 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1isk n LYS 119 N -2.37 3.63 -0.73 3.44 2.85 -1.26 -4.17 118.16 119.55 1isk n LYS 119 Ca -0.09 -2.82 -0.02 0.00 -1.05 0.00 0.00 58.31 54.33 1isk n LYS 119 Cb 0.63 -1.85 0.21 0.00 -0.65 0.00 0.00 35.03 33.37 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1isk n ASN 120 N 0.89 2.61 -4.23 -5.58 3.02 -1.26 -4.97 115.26 105.74 1isk n ASN 120 Ca 0.24 -3.67 -0.28 0.00 -0.03 0.00 0.00 54.58 50.84 1isk n ASN 120 Cb 0.86 -0.61 -0.16 0.00 -0.61 0.00 0.00 39.78 39.26 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 -3.18 1.73 -0.37 2.41 1.09 -1.26 -0.02 121.20 121.60 1isk s ILE 121 Ca 0.44 -0.93 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 1isk s ILE 121 Cb 0.39 -1.44 0.11 0.00 -1.06 0.00 0.00 42.46 40.46 1isk s ILE 121 CO 0.01 0.49 0.13 -1.00 -0.10 0.00 0.00 174.94 174.47 1isk s HIS 122 N -0.44 2.43 0.35 3.97 3.76 0.34 -4.92 115.29 120.78 1isk s HIS 122 Ca 0.06 -2.36 -0.03 0.00 -0.15 0.00 0.00 55.06 52.58 1isk s HIS 122 Cb -0.09 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 1isk s HIS 122 CO -0.00 -0.86 0.60 0.00 -0.85 0.00 0.00 174.74 173.62 1isk s ALA 123 N 0.95 3.61 0.00 -1.40 0.00 -1.26 -0.28 121.76 123.38 1isk s ALA 123 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1isk s ALA 123 Cb -0.20 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1isk s ALA 123 CO -0.12 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1isk n GLY 124 N -1.53 -1.97 0.00 0.00 0.00 -0.01 -4.95 105.19 96.73 1isk n GLY 124 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32