#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 4.76 0.05 6.12 3.84 0.49 -4.57 114.94 125.63 1isk s ASN 2 Ca 0.00 0.40 -0.24 0.00 0.21 0.00 0.00 52.86 53.23 1isk s ASN 2 Cb 0.00 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 38.23 1isk s ASN 2 CO 0.00 -2.82 0.56 0.28 -2.79 0.00 0.00 177.10 172.33 1isk s THR 3 N 11.13 0.02 0.15 -5.21 -1.32 -1.26 -5.05 115.64 114.10 1isk s THR 3 Ca 0.82 -0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 61.11 1isk s THR 3 Cb -0.13 -0.98 -0.15 0.00 -1.51 0.00 0.00 72.50 69.73 1isk s THR 3 CO 0.17 -0.09 1.37 1.55 -2.21 0.00 0.00 174.62 175.41 1isk h PRO 4 N 2.69 0.37 -0.52 7.08 0.13 -1.93 -0.62 132.00 139.20 1isk h PRO 4 Ca -0.31 -0.36 -0.04 0.00 -0.87 0.00 0.00 66.00 64.42 1isk h PRO 4 Cb 1.22 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1isk h PRO 4 CO 0.40 1.03 0.16 1.49 -0.23 0.00 0.00 178.00 180.85 1isk h GLU 5 N 0.22 0.81 -0.15 0.86 4.81 -1.96 0.12 114.58 119.28 1isk h GLU 5 Ca -0.05 -0.18 -0.22 0.00 -0.13 0.00 0.00 59.36 58.77 1isk h GLU 5 Cb 1.46 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.74 1isk h GLU 5 CO 0.14 0.75 -0.77 1.25 -0.73 0.00 0.00 179.01 179.65 1isk h HIS 6 N 0.71 1.08 0.18 0.92 2.76 -1.87 0.05 115.15 118.98 1isk h HIS 6 Ca 0.17 -0.48 -0.00 0.00 -2.20 0.00 0.00 60.37 57.86 1isk h HIS 6 Cb 0.28 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 1isk h HIS 6 CO 0.02 1.31 -0.11 0.52 -1.30 0.00 0.00 177.93 178.36 1isk h MET 7 N 0.54 -0.28 0.03 5.26 2.86 -0.91 0.18 114.93 122.61 1isk h MET 7 Ca -0.05 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1isk h MET 7 Cb 1.41 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1isk h MET 7 CO 0.16 -0.19 -0.01 1.15 1.06 0.00 0.00 176.91 179.08 1isk h THR 8 N -0.29 1.22 -0.52 2.22 2.02 -0.82 -1.45 112.91 115.29 1isk h THR 8 Ca -0.02 -0.79 0.10 0.00 0.77 0.00 0.00 66.41 66.48 1isk h THR 8 Cb 0.24 1.75 -0.10 0.00 -1.74 0.00 0.00 68.15 68.31 1isk h THR 8 CO 0.01 0.20 -0.14 0.00 0.37 0.00 0.00 175.52 175.96 1isk h ALA 9 N 0.57 0.32 0.62 6.16 0.00 -0.91 0.37 119.26 126.39 1isk h ALA 9 Ca -0.00 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1isk h ALA 9 Cb 0.36 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1isk h ALA 9 CO 0.01 -0.45 -0.47 0.28 0.00 0.00 0.00 179.25 178.61 1isk h VAL 10 N -0.01 0.06 -1.08 0.00 2.07 -0.57 -0.27 116.25 116.44 1isk h VAL 10 Ca 0.25 0.00 0.39 0.00 0.82 0.00 0.00 66.70 68.16 1isk h VAL 10 Cb 0.40 0.06 -0.16 0.00 -1.52 0.00 0.00 31.29 30.08 1isk h VAL 10 CO -0.55 0.00 0.63 0.58 0.02 0.00 0.00 177.57 178.26 1isk h VAL 11 N -1.05 0.13 -0.25 2.57 2.07 -0.30 1.45 116.25 120.87 1isk h VAL 11 Ca -0.08 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1isk h VAL 11 Cb 0.88 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1isk h VAL 11 CO 0.02 0.02 -0.04 -0.61 0.02 0.00 0.00 177.57 176.98 1isk h GLN 12 N 0.13 0.48 -0.64 1.57 4.15 0.21 -1.43 115.11 119.58 1isk h GLN 12 Ca 0.80 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 60.04 1isk h GLN 12 Cb 2.14 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 29.77 1isk h GLN 12 CO -0.62 0.68 0.36 -0.09 -1.93 0.00 0.00 178.83 177.23 1isk h ARG 13 N 0.23 0.88 0.94 1.69 2.43 0.34 -1.17 114.38 119.71 1isk h ARG 13 Ca 0.07 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1isk h ARG 13 Cb 0.49 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1isk h ARG 13 CO 0.02 0.65 -0.47 -0.92 -1.51 0.00 0.00 179.97 177.74 1isk h TYR 14 N 0.87 -1.22 -0.58 2.20 5.03 -0.26 -0.48 116.97 122.52 1isk h TYR 14 Ca 0.23 -0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.63 1isk h TYR 14 Cb 0.02 0.41 -0.11 0.00 1.55 0.00 0.00 36.73 38.60 1isk h TYR 14 CO -0.01 -0.75 -0.14 0.28 -1.32 0.00 0.00 178.16 176.23 1isk h VAL 15 N -1.28 0.42 -0.35 1.81 2.07 -1.19 0.48 116.25 118.21 1isk h VAL 15 Ca -0.13 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1isk h VAL 15 Cb 0.99 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1isk h VAL 15 CO 0.20 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.64 1isk h ALA 16 N 1.58 0.13 -0.74 1.67 0.00 -1.03 0.33 119.26 121.20 1isk h ALA 16 Ca 0.28 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1isk h ALA 16 Cb 0.43 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1isk h ALA 16 CO -0.59 -0.53 0.49 0.00 0.00 0.00 0.00 179.25 178.62 1isk h ALA 17 N 1.20 1.53 0.14 0.00 0.00 0.93 0.58 119.26 123.63 1isk h ALA 17 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1isk h ALA 17 Cb 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1isk h ALA 17 CO -0.41 0.41 -0.07 1.25 0.00 0.00 0.00 179.25 180.43 1isk h LEU 18 N 0.94 -0.16 -1.82 0.00 5.85 0.30 0.35 115.31 120.77 1isk h LEU 18 Ca 0.29 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1isk h LEU 18 Cb -0.01 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1isk h LEU 18 CO -0.07 -0.08 0.04 -1.13 -0.34 0.00 0.00 178.44 176.86 1isk h ASN 19 N -0.22 0.13 1.05 1.25 -1.24 0.20 0.38 115.58 117.13 1isk h ASN 19 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1isk h ASN 19 Cb 0.17 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1isk h ASN 19 CO 0.03 0.13 -0.03 0.00 -1.29 0.00 0.00 177.43 176.27 1isk n ALA 20 N -2.52 2.38 -2.98 1.57 0.00 0.13 -4.85 120.51 114.24 1isk n ALA 20 Ca -0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1isk n ALA 20 Cb 0.11 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.17 1isk n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isk n GLY 21 N 1.47 -0.10 3.41 0.00 0.00 0.13 -4.95 105.19 105.15 1isk n GLY 21 Ca 0.07 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.90 6.49 -0.00 1.61 1.01 0.39 -4.89 116.67 117.37 1isk s ASP 22 Ca 0.01 -1.90 -0.06 0.00 0.71 0.00 0.00 52.55 51.31 1isk s ASP 22 Cb -0.01 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1isk s ASP 22 CO 0.49 -1.02 0.64 -0.07 0.21 0.00 0.00 175.17 175.42 1isk h LEU 23 N 9.89 -0.19 -1.40 1.23 -0.00 -1.92 0.30 115.31 123.21 1isk h LEU 23 Ca -0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1isk h LEU 23 Cb 1.05 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 1isk h LEU 23 CO 1.04 -0.07 0.20 -0.78 -0.00 0.00 0.00 178.44 178.84 1isk h ASP 24 N -0.36 0.54 0.45 -0.43 -0.00 -1.97 0.38 116.42 115.03 1isk h ASP 24 Ca -0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.03 56.94 1isk h ASP 24 Cb 0.17 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.37 1isk h ASP 24 CO 0.04 0.47 -0.21 1.23 -0.00 0.00 0.00 179.24 180.76 1isk h GLY 25 N 0.73 -0.63 0.34 -0.78 0.00 -1.95 0.39 103.07 101.18 1isk h GLY 25 Ca 0.15 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.91 1isk h GLY 25 CO -0.02 -0.23 0.59 -2.22 0.00 0.00 0.00 176.54 174.66 1isk h ILE 26 N -0.71 0.71 -0.01 2.60 2.04 -0.31 1.04 117.51 122.86 1isk h ILE 26 Ca -0.06 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 1isk h ILE 26 Cb 0.46 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1isk h ILE 26 CO 0.10 0.09 -0.53 0.58 0.00 0.00 0.00 178.15 178.38 1isk h VAL 27 N 0.48 1.38 0.00 1.67 2.07 -0.79 -2.23 116.25 118.82 1isk h VAL 27 Ca 0.47 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1isk h VAL 27 Cb 1.07 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1isk h VAL 27 CO -0.20 0.53 -0.14 0.00 0.02 0.00 0.00 177.57 177.78 1isk h ALA 28 N 1.43 0.92 0.13 1.67 0.00 0.53 -3.35 119.26 120.60 1isk h ALA 28 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1isk h ALA 28 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1isk h ALA 28 CO 0.07 0.00 -0.06 1.25 0.00 0.00 0.00 179.25 180.51 1isk h LEU 29 N 0.00 -0.15 0.00 0.00 6.46 0.50 -3.46 115.31 118.66 1isk h LEU 29 Ca 0.00 0.01 -0.25 0.00 -0.12 0.00 0.00 57.88 57.51 1isk h LEU 29 Cb 0.88 0.04 0.08 0.00 -0.73 0.00 0.00 40.66 40.93 1isk h LEU 29 CO 0.00 -0.08 0.17 2.22 -0.62 0.00 0.00 178.44 180.13 1isk n PHE 30 N -2.62 -3.65 -0.69 1.25 1.16 -1.17 -4.90 117.46 106.84 1isk n PHE 30 Ca -0.02 -0.80 -0.26 0.00 -1.87 0.00 0.00 57.45 54.50 1isk n PHE 30 Cb 0.07 -0.51 0.12 0.00 -1.61 0.00 0.00 39.48 37.55 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 -3.27 -2.54 0.42 1.98 0.00 0.81 -4.89 120.51 113.02 1isk n ALA 31 Ca -0.11 -1.13 0.08 0.00 0.00 0.00 0.00 53.44 52.28 1isk n ALA 31 Cb 0.33 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.13 0.94 -0.07 0.00 5.75 -1.26 -4.28 116.55 117.50 1isk n ASP 32 Ca 0.02 -0.49 0.04 0.00 -0.01 0.00 0.00 54.79 54.35 1isk n ASP 32 Cb 0.50 1.34 0.07 0.00 -1.03 0.00 0.00 41.12 42.00 1isk n ASP 32 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1isk n ASP 33 N -1.70 2.22 -3.38 -1.12 3.85 -1.26 -1.08 116.55 114.08 1isk n ASP 33 Ca 0.00 -2.47 -0.27 0.00 -0.71 0.00 0.00 54.79 51.34 1isk n ASP 33 Cb 0.34 -0.20 0.26 0.00 -1.35 0.00 0.00 41.12 40.17 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1isk n ALA 34 N -0.86 -3.99 -3.80 2.12 0.00 -1.26 -3.51 120.51 109.21 1isk n ALA 34 Ca 0.07 -1.70 -0.26 0.00 0.00 0.00 0.00 53.44 51.55 1isk n ALA 34 Cb 0.43 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.12 1.01 -0.12 0.00 -4.23 0.72 -1.11 115.64 109.81 1isk s THR 35 Ca 0.60 -0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 60.75 1isk s THR 35 Cb -0.11 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 1isk s THR 35 CO 0.51 0.36 0.06 -0.69 -0.54 0.00 0.00 174.62 174.32 1isk s VAL 36 N 1.47 4.81 -0.18 2.29 1.01 0.80 -0.81 120.40 129.80 1isk s VAL 36 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1isk s VAL 36 Cb -0.13 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1isk s VAL 36 CO -0.05 0.58 0.02 -0.70 0.00 0.00 0.00 175.10 174.95 1isk s GLU 37 N -0.67 0.77 -0.20 2.72 2.56 0.50 0.41 118.70 124.79 1isk s GLU 37 Ca 0.12 -0.40 -0.27 0.00 0.00 0.00 0.00 54.97 54.42 1isk s GLU 37 Cb -0.12 -1.99 0.08 0.00 2.00 0.00 0.00 34.13 34.09 1isk s GLU 37 CO 0.02 -0.58 0.75 0.34 -0.56 0.00 0.00 175.26 175.23 1isk s ASP 38 N 1.83 -0.68 0.00 -1.70 2.15 -1.26 -0.32 116.67 116.68 1isk s ASP 38 Ca -0.00 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1isk s ASP 38 Cb -0.16 1.09 0.00 0.00 -0.30 0.00 0.00 42.92 43.54 1isk s ASP 38 CO -0.07 -0.35 0.25 -0.81 -0.17 0.00 0.00 175.17 174.01 1isk n PRO 39 N 2.03 0.00 -3.55 4.34 -0.04 -1.26 -5.05 135.00 131.47 1isk n PRO 39 Ca -0.15 0.47 -0.15 0.00 -0.04 0.00 0.00 63.50 63.63 1isk n PRO 39 Cb 0.56 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.43 0.02 0.00 0.52 1.01 -1.26 -3.79 120.40 115.48 1isk s VAL 40 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1isk s VAL 40 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1isk s VAL 40 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1isk n GLY 41 N 0.46 3.88 0.00 4.51 0.00 -1.26 -5.08 105.19 107.69 1isk n GLY 41 Ca -0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1isk n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isk n SER 42 N 0.00 0.00 -2.57 1.61 3.41 -1.26 -5.11 113.62 109.70 1isk n SER 42 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1isk n SER 42 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1isk n SER 42 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1isk n GLU 43 N -1.21 -1.80 0.00 4.33 4.07 -1.26 -4.94 120.64 119.82 1isk n GLU 43 Ca 0.00 1.74 0.00 0.00 -0.06 0.00 0.00 57.16 58.84 1isk n GLU 43 Cb 0.00 -4.78 0.00 0.00 -0.06 0.00 0.00 31.44 26.60 1isk n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1isk n PRO 44 N -0.44 -0.17 -3.51 5.31 -0.04 -1.26 -4.86 135.00 130.03 1isk n PRO 44 Ca 0.09 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1isk n PRO 44 Cb 0.37 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.69 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 -2.33 0.21 -0.06 0.54 1.81 0.16 -4.94 118.95 114.34 1isk s ARG 45 Ca 0.00 -0.34 -0.09 0.00 -1.72 0.00 0.00 55.73 53.58 1isk s ARG 45 Cb 0.00 -1.10 -0.05 0.00 -0.45 0.00 0.00 34.95 33.35 1isk s ARG 45 CO 0.00 -0.96 0.24 -1.54 -0.68 0.00 0.00 175.30 172.35 1isk s SER 46 N 2.18 6.52 0.00 0.23 1.04 -1.26 -0.14 113.70 122.28 1isk s SER 46 Ca 0.08 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1isk s SER 46 Cb -0.15 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1isk s SER 46 CO -0.32 0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1isk n GLY 47 N 1.75 1.67 0.24 7.32 0.00 -0.26 -4.24 105.19 111.67 1isk n GLY 47 Ca -0.17 -1.67 0.16 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 0.29 2.61 1.35 -1.40 0.19 112.91 115.95 1isk h THR 48 Ca 0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 1isk h THR 48 Cb 0.00 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1isk h THR 48 CO 0.00 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 175.13 1isk h ALA 49 N 2.04 -0.56 -0.59 6.62 0.00 -1.86 0.21 119.26 125.11 1isk h ALA 49 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1isk h ALA 49 Cb 0.14 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1isk h ALA 49 CO 0.00 -0.53 0.20 0.00 0.00 0.00 0.00 179.25 178.92 1isk h ALA 50 N -1.49 0.77 0.81 0.00 0.00 -1.69 -0.62 119.26 117.05 1isk h ALA 50 Ca -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1isk h ALA 50 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1isk h ALA 50 CO 0.06 0.42 -0.47 0.82 0.00 0.00 0.00 179.25 180.09 1isk h ILE 51 N 0.83 0.06 -0.66 0.00 2.04 -0.72 0.42 117.51 119.47 1isk h ILE 51 Ca 0.19 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.19 1isk h ILE 51 Cb 0.26 0.06 -0.11 0.00 -0.74 0.00 0.00 36.82 36.29 1isk h ILE 51 CO -0.01 0.00 0.08 -0.09 0.00 0.00 0.00 178.15 178.13 1isk h ARG 52 N -1.19 0.18 0.00 2.37 2.43 -0.49 0.74 114.38 118.42 1isk h ARG 52 Ca -0.11 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1isk h ARG 52 Cb 0.94 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1isk h ARG 52 CO 0.13 0.12 -0.18 1.49 -1.51 0.00 0.00 179.97 180.02 1isk h GLU 53 N 0.18 0.00 0.15 0.20 4.57 -0.79 0.17 114.58 119.07 1isk h GLU 53 Ca 0.36 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1isk h GLU 53 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1isk h GLU 53 CO -0.51 0.18 -0.07 0.35 -1.18 0.00 0.00 179.01 177.77 1isk h PHE 54 N 0.00 -0.19 0.00 0.92 3.57 0.50 -0.71 116.94 121.03 1isk h PHE 54 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1isk h PHE 54 Cb 0.37 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1isk h PHE 54 CO 0.00 -0.12 -0.01 1.88 -2.23 0.00 0.00 178.31 177.83 1isk h TYR 55 N -0.34 0.00 0.00 0.41 0.05 -1.07 0.16 116.97 116.18 1isk h TYR 55 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1isk h TYR 55 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1isk h TYR 55 CO 0.08 0.01 0.00 0.00 -1.05 0.00 0.00 178.16 177.21 1isk n ALA 56 N -2.49 -0.28 -0.31 3.88 0.00 0.61 0.11 120.51 122.02 1isk n ALA 56 Ca -0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.57 1isk n ALA 56 Cb 0.10 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.90 1isk n ALA 56 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1isk h ASN 57 N 0.00 0.30 -0.02 0.00 -1.07 -1.05 0.41 115.58 114.15 1isk h ASN 57 Ca 0.00 0.18 -0.00 0.00 0.07 0.00 0.00 56.30 56.54 1isk h ASN 57 Cb 0.00 0.17 -0.00 0.00 -2.07 0.00 0.00 38.32 36.42 1isk h ASN 57 CO 0.00 -0.07 0.01 -1.28 0.07 0.00 0.00 177.43 176.16 1isk h SER 58 N 0.34 0.03 -0.05 6.14 0.87 -0.99 -1.38 113.55 118.51 1isk h SER 58 Ca 0.61 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 61.08 1isk h SER 58 Cb 1.24 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1isk h SER 58 CO -0.58 0.12 0.08 -0.07 -0.53 0.00 0.00 176.83 175.85 1isk h LEU 59 N -0.06 0.00 -1.53 2.23 3.38 0.38 -1.46 115.31 118.24 1isk h LEU 59 Ca 0.01 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.31 1isk h LEU 59 Cb 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1isk h LEU 59 CO -0.00 0.00 1.08 0.50 0.09 0.00 0.00 178.44 180.11 1isk h LYS 60 N 0.00 0.00 -6.05 1.13 3.64 0.48 -3.37 116.57 112.40 1isk h LYS 60 Ca 0.02 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.80 1isk h LYS 60 Cb 0.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1isk h LYS 60 CO -0.00 0.00 -0.18 -1.17 -2.27 0.00 0.00 179.45 175.83 1isk s LEU 61 N -7.16 4.47 -0.53 5.20 2.96 -0.55 -4.96 118.68 118.11 1isk s LEU 61 Ca -0.04 0.99 -0.06 0.00 -0.22 0.00 0.00 54.13 54.80 1isk s LEU 61 Cb 0.18 -2.66 -0.14 0.00 0.50 0.00 0.00 46.19 44.06 1isk s LEU 61 CO 0.61 0.31 2.68 -0.81 -1.32 0.00 0.00 176.35 177.82 1isk n PRO 62 N 1.72 2.05 -3.67 0.98 -0.04 -1.26 -4.85 135.00 129.93 1isk n PRO 62 Ca -0.13 -1.19 -0.36 0.00 -0.04 0.00 0.00 63.50 61.78 1isk n PRO 62 Cb 0.52 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.72 1isk n PRO 62 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1isk s LEU 63 N 0.05 4.26 -0.43 1.53 1.98 -1.26 -4.74 118.68 120.08 1isk s LEU 63 Ca 0.51 0.41 -0.09 0.00 -2.89 0.00 0.00 54.13 52.07 1isk s LEU 63 Cb 0.19 -2.22 0.09 0.00 0.66 0.00 0.00 46.19 44.92 1isk s LEU 63 CO -0.02 0.19 0.27 0.00 -1.89 0.00 0.00 176.35 174.90 1isk s ALA 64 N 0.13 3.30 0.04 5.97 0.00 -0.29 -4.90 121.76 126.02 1isk s ALA 64 Ca 0.13 -2.26 -0.10 0.00 0.00 0.00 0.00 51.96 49.73 1isk s ALA 64 Cb -0.12 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 1isk s ALA 64 CO 0.02 -1.72 0.36 0.08 0.00 0.00 0.00 175.76 174.50 1isk s VAL 65 N 1.39 5.15 -0.25 0.00 1.01 -1.26 -1.46 120.40 124.99 1isk s VAL 65 Ca 0.04 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1isk s VAL 65 Cb -0.24 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.58 1isk s VAL 65 CO 0.01 0.36 0.65 -0.70 0.00 0.00 0.00 175.10 175.42 1isk s GLU 66 N -1.74 0.74 0.85 2.72 2.12 -0.48 -3.92 118.70 119.00 1isk s GLU 66 Ca 0.30 0.96 -0.12 0.00 0.36 0.00 0.00 54.97 56.47 1isk s GLU 66 Cb -0.14 0.32 0.11 0.00 0.26 0.00 0.00 34.13 34.68 1isk s GLU 66 CO 0.16 -0.10 1.17 -1.17 -0.54 0.00 0.00 175.26 174.78 1isk s LEU 67 N 0.60 3.01 0.03 2.70 0.20 -1.26 -0.16 118.68 123.79 1isk s LEU 67 Ca -0.02 2.25 0.00 0.00 0.69 0.00 0.00 54.13 57.05 1isk s LEU 67 Cb -0.05 -4.57 0.00 0.00 -0.43 0.00 0.00 46.19 41.14 1isk s LEU 67 CO -0.03 -2.81 0.00 0.35 -0.29 0.00 0.00 176.35 173.57 1isk n THR 68 N -3.71 0.02 -3.06 3.68 -2.24 -1.16 -4.71 114.28 103.10 1isk n THR 68 Ca 0.12 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1isk n THR 68 Cb 0.51 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isk n GLN 69 N -2.68 0.00 -3.42 -0.78 0.00 -0.73 -5.05 117.38 104.72 1isk n GLN 69 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.00 56.79 1isk n GLN 69 Cb 0.07 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.36 1isk n GLN 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1isk n GLU 70 N 0.00 -1.75 -3.68 2.61 -0.58 -1.26 0.28 120.64 116.26 1isk n GLU 70 Ca 0.00 0.75 -0.36 0.00 -0.42 0.00 0.00 57.16 57.13 1isk n GLU 70 Cb 0.00 -5.06 -0.08 0.00 -0.57 0.00 0.00 31.44 25.73 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1isk s VAL 71 N -3.38 4.02 -0.57 2.62 1.01 -1.21 -0.60 120.40 122.29 1isk s VAL 71 Ca 0.42 -3.56 -0.23 0.00 0.00 0.00 0.00 61.98 58.61 1isk s VAL 71 Cb -0.10 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1isk s VAL 71 CO 0.79 -1.00 0.93 -0.60 0.00 0.00 0.00 175.10 175.21 1isk s ARG 72 N -0.87 3.26 -0.20 2.72 6.06 -0.13 -4.82 118.95 124.97 1isk s ARG 72 Ca 0.23 -0.44 -0.09 0.00 -2.50 0.00 0.00 55.73 52.93 1isk s ARG 72 Cb -0.12 -4.10 -0.04 0.00 0.06 0.00 0.00 34.95 30.75 1isk s ARG 72 CO -0.09 -1.55 0.10 0.00 -2.50 0.00 0.00 175.30 171.26 1isk s ALA 73 N 3.89 3.51 0.00 6.12 0.00 -1.26 -1.23 121.76 132.79 1isk s ALA 73 Ca 0.27 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1isk s ALA 73 Cb -0.14 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1isk s ALA 73 CO 0.16 0.09 0.00 1.55 0.00 0.00 0.00 175.76 177.56 1isk n VAL 74 N 3.70 0.00 -0.86 0.00 3.14 0.14 -4.96 118.33 119.49 1isk n VAL 74 Ca -0.16 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.03 1isk n VAL 74 Cb 0.52 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.20 1isk n VAL 74 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1isk n ALA 75 N -3.00 0.37 -3.52 1.55 0.00 -1.26 -0.84 120.51 113.80 1isk n ALA 75 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 1isk n ALA 75 Cb 0.00 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 4.84 -0.14 -3.46 0.00 3.02 -1.26 -4.78 115.26 113.48 1isk n ASN 76 Ca 0.38 -0.06 -0.12 0.00 -0.03 0.00 0.00 54.58 54.76 1isk n ASN 76 Cb 0.04 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1isk n ASN 76 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1isk s GLU 77 N -4.75 1.12 -0.28 3.52 2.12 -0.02 -1.46 118.70 118.95 1isk s GLU 77 Ca 0.02 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 1isk s GLU 77 Cb -0.01 0.52 0.17 0.00 0.26 0.00 0.00 34.13 35.07 1isk s GLU 77 CO 0.05 -0.47 0.53 0.00 -0.54 0.00 0.00 175.26 174.82 1isk s ALA 78 N -3.23 -1.91 -0.46 6.30 0.00 0.25 0.25 121.76 122.96 1isk s ALA 78 Ca 0.01 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 1isk s ALA 78 Cb -0.01 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.11 1isk s ALA 78 CO -0.09 -1.38 0.40 0.00 0.00 0.00 0.00 175.76 174.69 1isk s ALA 79 N 2.76 3.53 -0.20 0.00 0.00 -0.37 -1.31 121.76 126.18 1isk s ALA 79 Ca 0.17 -2.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.07 1isk s ALA 79 Cb -0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1isk s ALA 79 CO -0.20 -1.71 0.01 -0.59 0.00 0.00 0.00 175.76 173.27 1isk s PHE 80 N 1.74 3.07 -0.53 0.00 -0.71 -0.10 -0.95 117.98 120.51 1isk s PHE 80 Ca 0.05 -0.34 -0.24 0.00 -1.04 0.00 0.00 56.93 55.36 1isk s PHE 80 Cb -0.23 -2.08 0.04 0.00 -1.21 0.00 0.00 43.02 39.54 1isk s PHE 80 CO 0.08 -0.16 0.91 0.00 -1.34 0.00 0.00 175.22 174.71 1isk s ALA 81 N 0.87 3.19 0.15 1.99 0.00 0.14 -1.43 121.76 126.67 1isk s ALA 81 Ca 0.01 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1isk s ALA 81 Cb -0.14 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1isk s ALA 81 CO 0.02 -2.28 0.13 1.97 0.00 0.00 0.00 175.76 175.60 1isk n PHE 82 N 7.29 -1.56 -4.43 0.00 -1.74 -0.27 -1.77 117.46 114.99 1isk n PHE 82 Ca 0.02 -0.62 -0.22 0.00 -0.56 0.00 0.00 57.45 56.08 1isk n PHE 82 Cb 0.48 -0.13 -0.10 0.00 1.52 0.00 0.00 39.48 41.25 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 -0.58 1.99 -0.11 1.97 -4.23 0.77 -2.60 115.64 112.86 1isk s THR 83 Ca 0.10 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.33 1isk s THR 83 Cb -0.01 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.56 1isk s THR 83 CO 0.06 -0.40 0.08 0.68 -0.54 0.00 0.00 174.62 174.50 1isk s VAL 84 N -2.80 -0.10 -0.33 2.29 -7.23 0.16 -1.38 120.40 111.01 1isk s VAL 84 Ca 0.28 0.11 -0.16 0.00 -1.81 0.00 0.00 61.98 60.41 1isk s VAL 84 Cb -0.00 -0.38 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 1isk s VAL 84 CO 0.12 -0.06 0.40 -0.55 -0.31 0.00 0.00 175.10 174.69 1isk s SER 85 N 2.15 6.22 -0.08 4.85 0.15 -0.53 -1.11 113.70 125.35 1isk s SER 85 Ca 0.03 -0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.38 1isk s SER 85 Cb -0.14 -2.22 0.05 0.00 -1.71 0.00 0.00 66.02 62.00 1isk s SER 85 CO -0.06 -0.34 0.50 0.72 1.20 0.00 0.00 173.24 175.25 1isk s PHE 86 N 2.11 -0.46 -0.09 3.44 -0.71 -0.57 -1.13 117.98 120.57 1isk s PHE 86 Ca 0.14 0.90 0.03 0.00 -1.04 0.00 0.00 56.93 56.96 1isk s PHE 86 Cb -0.16 0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1isk s PHE 86 CO 0.12 -0.43 -0.19 -2.00 -1.34 0.00 0.00 175.22 171.38 1isk s GLU 87 N -0.80 2.92 0.42 1.99 2.12 -1.26 -0.83 118.70 123.26 1isk s GLU 87 Ca -0.09 -0.78 0.07 0.00 0.36 0.00 0.00 54.97 54.53 1isk s GLU 87 Cb -0.03 -2.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 1isk s GLU 87 CO 0.05 0.34 0.29 -0.47 -0.54 0.00 0.00 175.26 174.93 1isk s TYR 88 N -0.01 2.60 -0.50 5.30 5.04 -0.02 -4.96 117.35 124.79 1isk s TYR 88 Ca -0.06 -0.56 -0.27 0.00 -2.44 0.00 0.00 57.07 53.74 1isk s TYR 88 Cb -0.15 -2.07 -0.27 0.00 0.35 0.00 0.00 41.96 39.83 1isk s TYR 88 CO 0.05 -0.01 1.80 0.00 -1.34 0.00 0.00 175.55 176.05 1isk n GLN 89 N -1.43 0.55 0.00 4.97 10.64 -1.26 -1.18 117.38 129.67 1isk n GLN 89 Ca 0.01 -1.48 0.00 0.00 -1.83 0.00 0.00 57.00 53.70 1isk n GLN 89 Cb 0.63 -2.99 0.00 0.00 -0.86 0.00 0.00 30.24 27.02 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1isk n GLY 90 N 5.17 0.33 0.00 2.61 0.00 -1.26 -5.15 105.19 106.89 1isk n GLY 90 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1isk n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isk n ARG 91 N 0.00 -3.69 -2.99 1.61 3.00 -0.33 -5.13 116.66 109.13 1isk n ARG 91 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 1isk n ARG 91 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1isk n ARG 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1isk s LYS 92 N -1.99 3.73 -0.10 5.56 1.02 0.11 -0.84 119.74 127.23 1isk s LYS 92 Ca 0.00 0.33 -0.23 0.00 0.02 0.00 0.00 55.97 56.09 1isk s LYS 92 Cb 0.00 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 34.90 1isk s LYS 92 CO 0.00 0.03 0.55 0.99 -0.92 0.00 0.00 175.35 176.00 1isk s THR 93 N -2.30 0.01 -0.12 2.17 2.01 -0.01 0.24 115.64 117.64 1isk s THR 93 Ca 0.49 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 1isk s THR 93 Cb -0.10 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.61 1isk s THR 93 CO 0.31 -0.06 -0.07 0.54 -0.69 0.00 0.00 174.62 174.65 1isk s VAL 94 N -0.66 1.01 0.35 3.82 0.11 -0.22 -1.51 120.40 123.30 1isk s VAL 94 Ca -0.07 -0.35 0.07 0.00 -2.93 0.00 0.00 61.98 58.70 1isk s VAL 94 Cb -0.03 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1isk s VAL 94 CO 0.05 0.30 0.48 -0.69 -3.33 0.00 0.00 175.10 171.91 1isk s VAL 95 N 1.71 3.82 -0.43 2.04 1.01 -0.27 -0.17 120.40 128.11 1isk s VAL 95 Ca 0.04 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1isk s VAL 95 Cb -0.13 -3.31 0.25 0.00 0.00 0.00 0.00 36.38 33.19 1isk s VAL 95 CO -0.08 -0.12 0.57 0.00 0.00 0.00 0.00 175.10 175.46 1isk n ALA 96 N -1.67 2.72 -1.56 5.51 0.00 0.84 0.38 120.51 126.73 1isk n ALA 96 Ca 0.01 -3.65 -0.30 0.00 0.00 0.00 0.00 53.44 49.50 1isk n ALA 96 Cb 0.58 -0.83 0.07 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.44 2.48 -0.21 0.00 0.04 -1.07 -4.69 135.00 130.12 1isk s PRO 97 Ca 0.36 0.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 1isk s PRO 97 Cb 0.17 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1isk s PRO 97 CO -0.09 -1.38 -0.09 0.42 0.04 0.00 0.00 177.00 175.90 1isk s ILE 98 N -3.11 2.96 -0.22 0.56 1.01 0.29 -1.11 121.20 121.59 1isk s ILE 98 Ca 0.59 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 1isk s ILE 98 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1isk s ILE 98 CO 0.55 0.45 0.27 -1.81 0.00 0.00 0.00 174.94 174.39 1isk s ASP 99 N 1.42 6.26 -0.41 3.58 1.01 -0.51 -0.52 116.67 127.50 1isk s ASP 99 Ca 0.05 0.30 -0.10 0.00 0.71 0.00 0.00 52.55 53.51 1isk s ASP 99 Cb -0.14 -2.16 0.07 0.00 1.01 0.00 0.00 42.92 41.69 1isk s ASP 99 CO -0.06 -0.00 0.25 -1.38 0.21 0.00 0.00 175.17 174.18 1isk s HIS 100 N 1.18 3.31 -0.06 4.23 -3.43 0.14 -0.92 115.29 119.74 1isk s HIS 100 Ca 0.13 -1.40 -0.14 0.00 -0.80 0.00 0.00 55.06 52.85 1isk s HIS 100 Cb -0.14 -2.84 -0.05 0.00 -1.43 0.00 0.00 32.58 28.12 1isk s HIS 100 CO 0.06 -0.81 0.36 -0.06 -2.00 0.00 0.00 174.74 172.29 1isk s PHE 101 N 1.46 3.63 0.01 0.38 0.40 -0.43 -1.33 117.98 122.10 1isk s PHE 101 Ca 0.03 0.83 0.03 0.00 -0.60 0.00 0.00 56.93 57.23 1isk s PHE 101 Cb -0.22 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 1isk s PHE 101 CO 0.03 0.51 -0.07 1.03 0.70 0.00 0.00 175.22 177.42 1isk s ARG 102 N -0.53 2.53 0.36 0.44 0.52 0.28 -0.58 118.95 121.97 1isk s ARG 102 Ca 0.21 -0.74 0.05 0.00 -0.52 0.00 0.00 55.73 54.73 1isk s ARG 102 Cb -0.15 -2.49 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 1isk s ARG 102 CO 0.10 0.60 0.04 -0.06 0.02 0.00 0.00 175.30 175.99 1isk s PHE 103 N -1.01 2.17 0.21 -0.53 0.40 -0.53 -3.44 117.98 115.25 1isk s PHE 103 Ca 0.17 -0.85 -0.22 0.00 -0.60 0.00 0.00 56.93 55.43 1isk s PHE 103 Cb -0.11 -1.47 0.07 0.00 0.51 0.00 0.00 43.02 42.02 1isk s PHE 103 CO 0.08 0.17 0.95 0.54 0.70 0.00 0.00 175.22 177.67 1isk s ASN 104 N -3.57 -0.07 0.00 1.36 2.20 0.14 -4.79 114.94 110.20 1isk s ASN 104 Ca 0.36 -0.66 0.00 0.00 -0.94 0.00 0.00 52.86 51.62 1isk s ASN 104 Cb 0.09 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1isk s ASN 104 CO 0.16 -1.10 0.00 0.61 -2.94 0.00 0.00 177.10 173.84 1isk n GLY 105 N -0.58 0.68 0.04 0.45 0.00 -1.26 -1.52 105.19 102.99 1isk n GLY 105 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 -1.89 4.61 0.00 -1.26 -4.93 120.51 117.04 1isk n ALA 106 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1isk n ALA 106 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.87 0.16 3.58 0.00 0.00 -1.00 0.19 105.19 107.24 1isk n GLY 107 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1isk n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1isk s LYS 108 N 0.01 3.86 -0.30 1.61 -2.85 -0.58 -4.73 119.74 116.75 1isk s LYS 108 Ca 0.01 -0.41 -0.17 0.00 -1.00 0.00 0.00 55.97 54.40 1isk s LYS 108 Cb 0.03 -3.13 -0.02 0.00 -2.06 0.00 0.00 37.83 32.65 1isk s LYS 108 CO -0.01 0.22 0.47 0.08 0.10 0.00 0.00 175.35 176.21 1isk s VAL 109 N 0.48 5.08 -0.19 1.79 1.01 -1.26 0.24 120.40 127.55 1isk s VAL 109 Ca 0.01 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1isk s VAL 109 Cb -0.13 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1isk s VAL 109 CO 0.01 -0.03 0.30 0.52 0.00 0.00 0.00 175.10 175.91 1isk n VAL 110 N 5.26 0.00 -3.87 2.92 0.31 -1.22 -0.13 118.33 121.60 1isk n VAL 110 Ca -0.06 -0.47 -0.12 0.00 -0.01 0.00 0.00 64.34 63.69 1isk n VAL 110 Cb 0.50 1.02 -0.13 0.00 -0.91 0.00 0.00 33.84 34.32 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 -0.78 -0.02 -0.26 4.52 0.01 -1.25 -0.20 113.70 115.73 1isk s SER 111 Ca 0.02 0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.12 1isk s SER 111 Cb 0.02 0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.43 1isk s SER 111 CO 0.07 -0.07 0.65 0.00 0.41 0.00 0.00 173.24 174.30 1isk s MET 112 N -0.21 0.69 0.10 12.44 0.23 0.01 -0.55 119.30 132.01 1isk s MET 112 Ca -0.03 1.09 0.02 0.00 -1.03 0.00 0.00 55.69 55.74 1isk s MET 112 Cb -0.02 0.19 -0.04 0.00 -1.53 0.00 0.00 34.83 33.43 1isk s MET 112 CO 0.00 -0.13 -0.06 0.50 -2.03 0.00 0.00 175.02 173.29 1isk s ARG 113 N 1.24 0.83 0.12 3.16 3.00 -0.44 -0.37 118.95 126.49 1isk s ARG 113 Ca -0.07 -1.33 0.07 0.00 -1.00 0.00 0.00 55.73 53.39 1isk s ARG 113 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 34.95 34.68 1isk s ARG 113 CO -0.13 -0.02 -0.16 0.00 0.00 0.00 0.00 175.30 174.99 1isk s ALA 114 N -3.64 1.59 -0.14 6.12 0.00 0.56 0.29 121.76 126.54 1isk s ALA 114 Ca 0.12 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1isk s ALA 114 Cb 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.10 1isk s ALA 114 CO -0.05 0.16 0.03 -0.51 0.00 0.00 0.00 175.76 175.40 1isk s LEU 115 N -2.36 0.79 0.00 0.00 1.02 0.33 -4.15 118.68 114.31 1isk s LEU 115 Ca 0.09 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.78 1isk s LEU 115 Cb -0.06 -0.46 0.04 0.00 0.02 0.00 0.00 46.19 45.73 1isk s LEU 115 CO 0.04 -0.27 0.31 0.49 0.02 0.00 0.00 176.35 176.94 1isk n PHE 116 N 5.13 -1.50 -3.85 0.29 3.01 -1.26 -0.54 117.46 118.74 1isk n PHE 116 Ca -0.08 -1.32 0.02 0.00 1.01 0.00 0.00 57.45 57.08 1isk n PHE 116 Cb 0.49 -0.28 0.01 0.00 -0.01 0.00 0.00 39.48 39.68 1isk n PHE 116 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1isk s GLY 117 N -3.25 -0.22 -0.22 1.37 0.00 -1.26 -4.98 107.32 98.77 1isk s GLY 117 Ca 0.24 0.25 0.08 0.00 0.00 0.00 0.00 44.72 45.29 1isk s GLY 117 CO 0.15 3.60 -0.04 -1.84 0.00 0.00 0.00 173.10 174.97 1isk n GLU 118 N -0.75 0.67 0.00 2.90 0.28 -1.26 -4.11 120.64 118.37 1isk n GLU 118 Ca -0.01 0.10 0.05 0.00 -0.16 0.00 0.00 57.16 57.15 1isk n GLU 118 Cb 0.60 -1.54 0.24 0.00 1.43 0.00 0.00 31.44 32.17 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1isk n LYS 119 N -3.07 0.00 -0.99 3.44 4.81 -1.26 -1.30 118.16 119.78 1isk n LYS 119 Ca -0.39 0.31 -0.13 0.00 -0.87 0.00 0.00 58.31 57.23 1isk n LYS 119 Cb 1.06 -1.50 0.19 0.00 0.02 0.00 0.00 35.03 34.80 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1isk n ASN 120 N -1.50 2.98 -4.42 3.14 4.13 -1.26 -4.96 115.26 113.37 1isk n ASN 120 Ca 0.03 -3.72 -0.30 0.00 1.68 0.00 0.00 54.58 52.27 1isk n ASN 120 Cb 0.13 -0.72 -0.13 0.00 -1.54 0.00 0.00 39.78 37.52 1isk n ASN 120 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1isk s ILE 121 N -3.28 2.47 -0.30 2.41 1.01 -0.42 -0.11 121.20 122.99 1isk s ILE 121 Ca 0.50 -1.56 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1isk s ILE 121 Cb 0.44 -2.08 0.11 0.00 0.01 0.00 0.00 42.46 40.94 1isk s ILE 121 CO 0.04 0.17 0.16 -1.00 0.00 0.00 0.00 174.94 174.31 1isk s HIS 122 N -1.03 0.24 1.34 3.97 3.76 0.77 -4.96 115.29 119.39 1isk s HIS 122 Ca 0.15 -0.86 -0.19 0.00 -0.15 0.00 0.00 55.06 54.01 1isk s HIS 122 Cb -0.10 -0.83 0.34 0.00 1.11 0.00 0.00 32.58 33.09 1isk s HIS 122 CO 0.06 -0.84 0.88 0.00 -0.85 0.00 0.00 174.74 173.99 1isk n ALA 123 N 5.13 -4.17 0.00 -1.40 0.00 -1.26 -1.06 120.51 117.75 1isk n ALA 123 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.79 1isk n ALA 123 Cb 0.42 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1isk n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isk n GLY 124 N 1.59 -0.07 0.79 0.00 0.00 0.14 -4.75 105.19 102.89 1isk n GLY 124 Ca 0.08 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32