#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 -0.20 0.04 3.17 3.04 -1.26 -3.70 114.94 116.03 1isk s ASN 2 Ca 0.00 -0.70 -0.01 0.00 0.04 0.00 0.00 52.86 52.18 1isk s ASN 2 Cb 0.00 0.65 -0.03 0.00 -1.54 0.00 0.00 41.25 40.33 1isk s ASN 2 CO 0.00 -1.21 -0.01 0.28 -3.04 0.00 0.00 177.10 173.12 1isk s THR 3 N -3.95 0.17 0.07 -5.21 -1.32 -1.26 -5.04 115.64 99.10 1isk s THR 3 Ca 0.15 -1.41 -0.14 0.00 -1.21 0.00 0.00 61.69 59.07 1isk s THR 3 Cb -0.03 -1.03 -0.21 0.00 -1.51 0.00 0.00 72.50 69.72 1isk s THR 3 CO 0.06 -0.78 1.22 1.55 -2.21 0.00 0.00 174.62 174.46 1isk h PRO 4 N 3.68 0.70 0.00 7.08 0.13 -1.96 -1.95 132.00 139.67 1isk h PRO 4 Ca -0.33 -0.68 -0.03 0.00 -0.87 0.00 0.00 66.00 64.09 1isk h PRO 4 Cb 1.17 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1isk h PRO 4 CO 0.56 1.27 -0.14 0.93 -0.23 0.00 0.00 178.00 180.39 1isk h GLU 5 N 0.38 0.00 0.03 0.86 4.39 -1.97 0.33 114.58 118.61 1isk h GLU 5 Ca -0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1isk h GLU 5 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1isk h GLU 5 CO 0.18 0.14 -0.02 1.25 -1.16 0.00 0.00 179.01 179.40 1isk h HIS 6 N 0.00 -0.04 -0.95 4.33 2.76 -1.96 -0.52 115.15 118.77 1isk h HIS 6 Ca -0.00 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.35 1isk h HIS 6 Cb 0.28 0.01 -0.11 0.00 1.55 0.00 0.00 27.41 29.15 1isk h HIS 6 CO 0.00 -0.03 0.53 0.00 -1.30 0.00 0.00 177.93 177.14 1isk h MET 7 N -0.32 0.66 -0.20 5.26 -0.00 -1.35 0.36 114.93 119.33 1isk h MET 7 Ca -0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 59.70 59.58 1isk h MET 7 Cb 0.04 -0.15 -0.00 0.00 -0.00 0.00 0.00 31.60 31.48 1isk h MET 7 CO 0.01 0.43 -0.17 1.15 -0.00 0.00 0.00 176.91 178.33 1isk h THR 8 N 0.68 1.32 -0.71 -0.10 2.02 -0.47 -0.96 112.91 114.69 1isk h THR 8 Ca 0.55 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1isk h THR 8 Cb 0.86 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1isk h THR 8 CO -0.40 0.40 0.47 0.00 0.37 0.00 0.00 175.52 176.36 1isk h ALA 9 N 0.66 1.58 -0.40 6.16 0.00 0.64 -0.64 119.26 127.26 1isk h ALA 9 Ca 0.04 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1isk h ALA 9 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1isk h ALA 9 CO 0.04 0.36 -0.36 0.28 0.00 0.00 0.00 179.25 179.57 1isk h VAL 10 N 0.88 1.27 -0.79 0.00 2.07 -0.19 -1.21 116.25 118.28 1isk h VAL 10 Ca 0.28 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1isk h VAL 10 Cb 0.03 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1isk h VAL 10 CO -0.08 0.52 0.50 0.58 0.02 0.00 0.00 177.57 179.11 1isk h VAL 11 N 0.77 1.11 0.24 2.57 2.07 0.21 0.56 116.25 123.78 1isk h VAL 11 Ca 0.07 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1isk h VAL 11 Cb 0.95 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1isk h VAL 11 CO 0.09 0.18 -0.11 -0.61 0.02 0.00 0.00 177.57 177.13 1isk h GLN 12 N 0.97 -0.31 -1.06 1.57 -0.00 -0.99 -1.49 115.11 113.79 1isk h GLN 12 Ca 0.32 0.02 0.29 0.00 -0.00 0.00 0.00 58.65 59.28 1isk h GLN 12 Cb 0.03 0.07 -0.06 0.00 0.00 0.00 0.00 27.48 27.52 1isk h GLN 12 CO -0.12 -0.21 0.73 -0.09 0.00 0.00 0.00 178.83 179.15 1isk h ARG 13 N -0.44 0.16 0.48 1.69 2.43 -1.18 -1.23 114.38 116.29 1isk h ARG 13 Ca -0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1isk h ARG 13 Cb 0.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1isk h ARG 13 CO 0.05 0.11 -0.23 -0.92 -1.51 0.00 0.00 179.97 177.47 1isk h TYR 14 N 0.17 -0.60 -0.85 2.20 3.20 0.21 -0.69 116.97 120.61 1isk h TYR 14 Ca 0.55 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.62 1isk h TYR 14 Cb 1.83 0.20 -0.14 0.00 1.54 0.00 0.00 36.73 40.16 1isk h TYR 14 CO -0.00 -0.37 0.18 0.28 -1.64 0.00 0.00 178.16 176.61 1isk h VAL 15 N -0.76 0.33 -0.36 1.81 2.07 -0.31 0.72 116.25 119.76 1isk h VAL 15 Ca -0.07 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1isk h VAL 15 Cb 0.49 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1isk h VAL 15 CO 0.11 0.03 0.11 0.00 0.02 0.00 0.00 177.57 177.84 1isk h ALA 16 N 1.76 0.41 -0.31 1.67 0.00 -1.20 0.27 119.26 121.85 1isk h ALA 16 Ca 0.51 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 1isk h ALA 16 Cb 1.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1isk h ALA 16 CO -0.65 -0.29 0.07 0.00 0.00 0.00 0.00 179.25 178.38 1isk h ALA 17 N 1.24 1.55 0.24 0.00 0.00 0.18 0.11 119.26 122.58 1isk h ALA 17 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1isk h ALA 17 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1isk h ALA 17 CO -0.19 0.34 -0.11 1.25 0.00 0.00 0.00 179.25 180.54 1isk h LEU 18 N 0.44 -0.27 -1.75 0.00 5.85 0.18 -0.14 115.31 119.62 1isk h LEU 18 Ca 0.11 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1isk h LEU 18 Cb 0.17 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1isk h LEU 18 CO -0.00 0.02 0.25 -1.13 -0.34 0.00 0.00 178.44 177.24 1isk h ASN 19 N -0.57 0.27 0.55 1.25 -0.73 -0.19 0.24 115.58 116.40 1isk h ASN 19 Ca -0.03 -0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.04 1isk h ASN 19 Cb 0.42 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 1isk h ASN 19 CO 0.05 0.19 -0.47 0.00 -0.37 0.00 0.00 177.43 176.83 1isk h ALA 20 N 1.80 1.15 -0.87 1.57 0.00 -0.62 -3.47 119.26 118.82 1isk h ALA 20 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1isk h ALA 20 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1isk h ALA 20 CO -0.03 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1isk n GLY 21 N -0.07 0.93 2.99 0.00 0.00 0.85 -5.01 105.19 104.88 1isk n GLY 21 Ca -0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1isk n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1isk n ASP 22 N 1.05 4.95 0.31 1.61 5.68 -0.57 -4.84 116.55 124.75 1isk n ASP 22 Ca 0.00 -3.25 0.17 0.00 -0.50 0.00 0.00 54.79 51.20 1isk n ASP 22 Cb 0.40 -1.09 0.89 0.00 -1.14 0.00 0.00 41.12 40.17 1isk n ASP 22 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1isk h LEU 23 N 5.60 0.00 0.09 -2.12 3.38 -1.93 -0.59 115.31 119.74 1isk h LEU 23 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1isk h LEU 23 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1isk h LEU 23 CO 1.01 0.00 -0.04 0.44 0.09 0.00 0.00 178.44 179.94 1isk h ASP 24 N 0.00 -0.10 -0.61 -0.43 3.32 -1.96 0.32 116.42 116.95 1isk h ASP 24 Ca 0.00 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.23 1isk h ASP 24 Cb 0.43 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1isk h ASP 24 CO 0.00 -0.01 0.49 1.23 -1.72 0.00 0.00 179.24 179.23 1isk h GLY 25 N -0.24 0.00 0.24 2.75 0.00 -1.82 0.45 103.07 104.45 1isk h GLY 25 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1isk h GLY 25 CO 0.02 0.00 -0.07 -2.22 0.00 0.00 0.00 176.54 174.27 1isk h ILE 26 N 0.00 1.64 0.00 2.60 2.04 -1.16 0.47 117.51 123.10 1isk h ILE 26 Ca 0.29 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1isk h ILE 26 Cb 1.26 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 1isk h ILE 26 CO -0.00 0.52 0.00 0.58 0.00 0.00 0.00 178.15 179.25 1isk h VAL 27 N -0.75 0.00 0.00 1.67 2.07 0.16 -0.90 116.25 118.49 1isk h VAL 27 Ca -0.01 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 1isk h VAL 27 Cb 0.89 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1isk h VAL 27 CO 0.01 0.00 -2.18 0.00 0.02 0.00 0.00 177.57 175.42 1isk n ALA 28 N -1.80 2.12 0.37 1.67 0.00 0.14 -4.49 120.51 118.53 1isk n ALA 28 Ca 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 53.44 52.35 1isk n ALA 28 Cb 0.15 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 1isk n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1isk h LEU 29 N 0.00 -0.96 0.00 0.00 3.38 0.14 -3.45 115.31 114.42 1isk h LEU 29 Ca -0.28 0.05 -0.37 0.00 0.09 0.00 0.00 57.88 57.37 1isk h LEU 29 Cb 1.65 0.27 0.09 0.00 0.09 0.00 0.00 40.66 42.76 1isk h LEU 29 CO 0.02 -0.62 0.16 2.22 0.09 0.00 0.00 178.44 180.30 1isk n PHE 30 N -4.88 -3.27 -0.27 1.13 -1.74 -1.11 -4.87 117.46 102.46 1isk n PHE 30 Ca -0.12 -1.31 -0.20 0.00 -0.56 0.00 0.00 57.45 55.26 1isk n PHE 30 Cb 0.41 -0.65 0.20 0.00 1.52 0.00 0.00 39.48 40.96 1isk n PHE 30 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1isk n ALA 31 N -3.12 -3.53 0.16 1.98 0.00 -0.06 -4.89 120.51 111.06 1isk n ALA 31 Ca -0.14 -1.03 0.04 0.00 0.00 0.00 0.00 53.44 52.31 1isk n ALA 31 Cb 0.48 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 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 -3.77 1.93 -0.35 0.00 5.68 -1.26 -4.46 116.55 114.32 1isk n ASP 32 Ca 0.09 -0.30 0.08 0.00 -0.50 0.00 0.00 54.79 54.16 1isk n ASP 32 Cb 0.40 1.21 0.16 0.00 -1.14 0.00 0.00 41.12 41.75 1isk n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1isk n ASP 33 N -1.52 2.80 -3.93 -1.12 4.64 -1.26 -2.74 116.55 113.42 1isk n ASP 33 Ca -0.00 -2.83 -0.30 0.00 -1.38 0.00 0.00 54.79 50.28 1isk n ASP 33 Cb 0.17 -0.39 0.24 0.00 -1.04 0.00 0.00 41.12 40.11 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1isk s ALA 34 N -2.45 0.29 -0.04 -1.67 0.00 -1.26 -4.36 121.76 112.28 1isk s ALA 34 Ca 0.30 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1isk s ALA 34 Cb 0.25 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1isk s ALA 34 CO 0.05 -3.71 -0.01 0.95 0.00 0.00 0.00 175.76 173.04 1isk s THR 35 N -2.82 0.29 0.12 0.00 -4.23 0.27 -1.45 115.64 107.83 1isk s THR 35 Ca 0.69 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 61.25 1isk s THR 35 Cb -0.13 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1isk s THR 35 CO 0.57 0.18 0.27 -0.69 -0.54 0.00 0.00 174.62 174.41 1isk s VAL 36 N 1.08 5.34 -0.40 2.29 1.01 0.16 -0.50 120.40 129.37 1isk s VAL 36 Ca -0.09 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1isk s VAL 36 Cb -0.14 -3.71 0.23 0.00 0.00 0.00 0.00 36.38 32.77 1isk s VAL 36 CO -0.01 -0.03 0.51 -0.62 0.00 0.00 0.00 175.10 174.95 1isk n GLU 37 N -0.30 0.59 -4.05 2.72 -0.58 0.54 0.30 120.64 119.86 1isk n GLU 37 Ca -0.06 -3.09 -0.13 0.00 -0.42 0.00 0.00 57.16 53.46 1isk n GLU 37 Cb 0.53 -1.33 -0.12 0.00 -0.57 0.00 0.00 31.44 29.94 1isk n GLU 37 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1isk s ASP 38 N -0.89 0.59 -0.02 1.62 2.15 -1.23 -0.50 116.67 118.39 1isk s ASP 38 Ca 0.34 -0.36 -0.03 0.00 0.43 0.00 0.00 52.55 52.93 1isk s ASP 38 Cb 0.14 0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 42.76 1isk s ASP 38 CO -0.14 -0.13 0.30 1.55 -0.17 0.00 0.00 175.17 176.58 1isk h PRO 39 N 5.12 -0.11 0.00 4.34 0.13 -1.89 -3.47 132.00 136.11 1isk h PRO 39 Ca -0.32 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.87 1isk h PRO 39 Cb 1.20 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1isk h PRO 39 CO 0.44 -0.08 0.24 1.33 -0.23 0.00 0.00 178.00 179.71 1isk n VAL 40 N -3.05 0.00 -2.95 1.56 0.24 -1.26 -3.58 118.33 109.29 1isk n VAL 40 Ca -0.01 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.85 1isk n VAL 40 Cb 0.05 0.39 0.04 0.00 -1.47 0.00 0.00 33.84 32.85 1isk n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1isk n GLY 41 N -0.32 0.12 1.59 7.63 0.00 -1.26 -4.61 105.19 108.35 1isk n GLY 41 Ca -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.30 -4.71 0.00 1.61 7.64 -1.26 -5.07 113.62 110.53 1isk n SER 42 Ca -0.05 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1isk n SER 42 Cb 0.55 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 61.03 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 0.74 0.00 -1.94 1.43 2.13 -1.26 -5.02 120.64 116.73 1isk n GLU 43 Ca -0.02 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.48 1isk n GLU 43 Cb 0.03 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.76 1isk n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1isk s PRO 44 N 0.00 3.27 -0.43 5.31 0.04 -1.26 -3.53 135.00 138.40 1isk s PRO 44 Ca 0.00 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.19 1isk s PRO 44 Cb 0.00 -2.03 0.17 0.00 0.04 0.00 0.00 34.50 32.68 1isk s PRO 44 CO 0.00 -0.84 0.49 1.03 0.04 0.00 0.00 177.00 177.71 1isk s ARG 45 N -4.37 0.87 -0.02 4.56 1.81 0.15 -4.94 118.95 117.00 1isk s ARG 45 Ca 0.61 -1.30 -0.16 0.00 -1.72 0.00 0.00 55.73 53.17 1isk s ARG 45 Cb -0.15 -0.70 -0.05 0.00 -0.45 0.00 0.00 34.95 33.60 1isk s ARG 45 CO 0.42 -1.30 0.43 -1.54 -0.68 0.00 0.00 175.30 172.63 1isk s SER 46 N 0.83 6.79 0.00 0.23 1.04 -1.26 -0.66 113.70 120.67 1isk s SER 46 Ca 0.26 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1isk s SER 46 Cb -0.04 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1isk s SER 46 CO -0.09 0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1isk n GLY 47 N 2.18 2.24 0.19 7.32 0.00 -0.53 -4.27 105.19 112.31 1isk n GLY 47 Ca -0.12 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.19 1isk n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1isk h THR 48 N 0.00 0.00 0.09 2.61 2.02 -1.81 0.12 112.91 115.94 1isk h THR 48 Ca 0.00 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1isk h THR 48 Cb 0.00 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1isk h THR 48 CO 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 1isk h ALA 49 N 2.19 -0.12 -0.17 6.16 0.00 -1.89 0.41 119.26 125.84 1isk h ALA 49 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1isk h ALA 49 Cb 0.54 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1isk h ALA 49 CO 0.00 -0.23 -0.75 0.00 0.00 0.00 0.00 179.25 178.26 1isk h ALA 50 N -0.03 0.32 -0.89 0.00 0.00 -1.72 0.35 119.26 117.27 1isk h ALA 50 Ca -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1isk h ALA 50 Cb 0.58 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1isk h ALA 50 CO 0.02 0.67 0.51 0.82 0.00 0.00 0.00 179.25 181.28 1isk h ILE 51 N 0.55 1.25 0.10 0.00 2.04 -0.85 0.02 117.51 120.63 1isk h ILE 51 Ca -0.05 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1isk h ILE 51 Cb 1.38 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1isk h ILE 51 CO 0.16 0.28 -0.05 -0.09 0.00 0.00 0.00 178.15 178.44 1isk h ARG 52 N 1.24 -0.13 -1.40 2.37 1.12 -0.84 -0.86 114.38 115.88 1isk h ARG 52 Ca 0.32 0.01 0.45 0.00 -1.11 0.00 0.00 59.98 59.65 1isk h ARG 52 Cb -0.01 0.03 -0.12 0.00 -0.01 0.00 0.00 29.97 29.86 1isk h ARG 52 CO -0.05 -0.09 0.92 0.93 -3.11 0.00 0.00 179.97 178.56 1isk h GLU 53 N -0.62 0.06 0.05 0.20 5.08 -0.33 0.31 114.58 119.33 1isk h GLU 53 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1isk h GLU 53 Cb 0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1isk h GLU 53 CO 0.02 0.04 -0.02 0.35 -1.00 0.00 0.00 179.01 178.40 1isk h PHE 54 N 0.06 -0.06 -1.65 4.33 3.57 -1.05 -0.82 116.94 121.32 1isk h PHE 54 Ca 0.83 -0.00 0.49 0.00 3.53 0.00 0.00 57.97 62.82 1isk h PHE 54 Cb 2.73 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 41.41 1isk h PHE 54 CO -0.00 -0.04 1.17 1.88 -2.23 0.00 0.00 178.31 179.09 1isk h TYR 55 N -0.36 0.10 0.00 0.41 0.05 0.07 0.71 116.97 117.95 1isk h TYR 55 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1isk h TYR 55 Cb 0.05 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 1isk h TYR 55 CO 0.02 -0.03 -0.10 0.00 -1.05 0.00 0.00 178.16 176.99 1isk h ALA 56 N 1.22 0.02 -0.36 3.88 0.00 -0.52 -1.10 119.26 122.40 1isk h ALA 56 Ca 0.82 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1isk h ALA 56 Cb 3.16 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 21.00 1isk h ALA 56 CO -0.08 0.06 0.44 -0.91 0.00 0.00 0.00 179.25 178.75 1isk h ASN 57 N -1.00 0.00 0.00 0.00 2.35 0.18 0.35 115.58 117.46 1isk h ASN 57 Ca -0.03 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.56 1isk h ASN 57 Cb 0.97 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 1isk h ASN 57 CO -0.02 0.00 -0.87 -1.28 -1.65 0.00 0.00 177.43 173.62 1isk h SER 58 N 0.00 0.00 0.00 5.81 0.87 -0.60 -3.31 113.55 116.32 1isk h SER 58 Ca 0.17 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1isk h SER 58 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1isk h SER 58 CO -0.00 1.34 0.05 -0.07 -0.53 0.00 0.00 176.83 177.62 1isk h LEU 59 N -1.00 0.00 -1.88 2.23 3.38 0.25 -0.70 115.31 117.59 1isk h LEU 59 Ca -0.24 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1isk h LEU 59 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1isk h LEU 59 CO -0.15 0.00 0.45 0.50 0.09 0.00 0.00 178.44 179.34 1isk h LYS 60 N 0.00 0.00 -5.90 1.13 3.64 -0.47 -3.39 116.57 111.58 1isk h LYS 60 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1isk h LYS 60 Cb 0.11 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 1isk h LYS 60 CO 0.00 0.00 -0.13 -1.17 -2.27 0.00 0.00 179.45 175.88 1isk s LEU 61 N -6.68 4.37 -1.11 5.20 2.96 -0.27 -4.97 118.68 118.18 1isk s LEU 61 Ca -0.04 0.95 -0.18 0.00 -0.22 0.00 0.00 54.13 54.64 1isk s LEU 61 Cb 0.12 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.03 1isk s LEU 61 CO 0.42 0.12 2.05 -0.81 -1.32 0.00 0.00 176.35 176.81 1isk n PRO 62 N 2.89 2.16 -4.36 0.98 -0.04 -1.26 -4.88 135.00 130.49 1isk n PRO 62 Ca -0.09 -2.26 -0.25 0.00 -0.04 0.00 0.00 63.50 60.85 1isk n PRO 62 Cb 0.52 -3.14 -0.09 0.00 -0.04 0.00 0.00 33.50 30.74 1isk n PRO 62 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1isk s LEU 63 N 2.24 2.97 -0.12 1.53 0.05 -1.26 -4.74 118.68 119.34 1isk s LEU 63 Ca 0.53 -1.09 -0.02 0.00 0.05 0.00 0.00 54.13 53.61 1isk s LEU 63 Cb 0.13 -1.26 0.04 0.00 -2.05 0.00 0.00 46.19 43.04 1isk s LEU 63 CO 0.03 -0.33 0.01 0.00 -0.55 0.00 0.00 176.35 175.51 1isk s ALA 64 N -2.57 0.83 -0.13 1.48 0.00 -0.03 -4.91 121.76 116.43 1isk s ALA 64 Ca 0.36 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1isk s ALA 64 Cb 0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1isk s ALA 64 CO 0.20 -0.71 0.10 0.08 0.00 0.00 0.00 175.76 175.42 1isk s VAL 65 N 1.92 5.17 -0.16 0.00 1.01 -1.26 -0.08 120.40 127.01 1isk s VAL 65 Ca 0.03 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1isk s VAL 65 Cb -0.14 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1isk s VAL 65 CO -0.06 0.58 0.39 -0.70 0.00 0.00 0.00 175.10 175.30 1isk s GLU 66 N -0.66 0.40 0.89 2.72 2.12 -0.25 -4.73 118.70 119.19 1isk s GLU 66 Ca 0.12 0.69 -0.11 0.00 0.36 0.00 0.00 54.97 56.04 1isk s GLU 66 Cb -0.12 0.05 0.13 0.00 0.26 0.00 0.00 34.13 34.45 1isk s GLU 66 CO 0.02 -0.12 1.11 -1.17 -0.54 0.00 0.00 175.26 174.56 1isk s LEU 67 N 1.00 2.59 0.00 2.70 0.20 -1.26 -0.92 118.68 122.98 1isk s LEU 67 Ca -0.06 1.87 0.00 0.00 0.69 0.00 0.00 54.13 56.62 1isk s LEU 67 Cb -0.07 -4.31 0.00 0.00 -0.43 0.00 0.00 46.19 41.38 1isk s LEU 67 CO -0.08 -2.78 0.00 1.07 -0.29 0.00 0.00 176.35 174.27 1isk n THR 68 N -4.01 0.00 0.00 3.68 5.66 -1.25 -4.83 114.28 113.54 1isk n THR 68 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1isk n THR 68 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N -0.68 0.00 -3.83 1.09 6.02 -1.18 -5.06 117.38 113.74 1isk n GLN 69 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1isk n GLN 69 Cb 0.00 -0.71 0.01 0.00 1.02 0.00 0.00 30.24 30.55 1isk n GLN 69 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1isk s GLU 70 N -0.51 0.17 -0.30 -1.09 2.02 -1.26 -5.00 118.70 112.74 1isk s GLU 70 Ca 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.86 1isk s GLU 70 Cb 0.00 0.05 0.10 0.00 0.10 0.00 0.00 34.13 34.38 1isk s GLU 70 CO 0.00 -0.08 0.12 0.08 0.02 0.00 0.00 175.26 175.40 1isk s VAL 71 N -2.07 0.27 -1.24 2.63 1.01 -1.26 -1.38 120.40 118.35 1isk s VAL 71 Ca 0.24 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 1isk s VAL 71 Cb 0.03 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1isk s VAL 71 CO -0.04 -0.71 1.77 -0.13 0.00 0.00 0.00 175.10 175.99 1isk s ARG 72 N 1.93 3.56 -0.30 2.72 1.81 0.95 -4.83 118.95 124.79 1isk s ARG 72 Ca 0.09 -1.70 -0.21 0.00 -1.72 0.00 0.00 55.73 52.20 1isk s ARG 72 Cb -0.16 -5.44 -0.01 0.00 -0.45 0.00 0.00 34.95 28.88 1isk s ARG 72 CO -0.33 -2.70 0.64 0.00 -0.68 0.00 0.00 175.30 172.23 1isk s ALA 73 N 6.08 3.54 -0.27 2.13 0.00 -1.26 -1.41 121.76 130.57 1isk s ALA 73 Ca 0.57 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1isk s ALA 73 Cb 0.02 -3.11 0.18 0.00 0.00 0.00 0.00 23.12 20.21 1isk s ALA 73 CO 0.08 -1.06 1.31 0.54 0.00 0.00 0.00 175.76 176.62 1isk s VAL 74 N 2.63 0.00 -1.22 0.00 0.11 0.15 -4.85 120.40 117.22 1isk s VAL 74 Ca 0.26 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1isk s VAL 74 Cb -0.15 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1isk s VAL 74 CO 0.12 0.00 0.94 0.00 -3.33 0.00 0.00 175.10 172.83 1isk n ALA 75 N 0.53 -2.03 -1.54 1.54 0.00 -1.26 -0.60 120.51 117.15 1isk n ALA 75 Ca -0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1isk n ALA 75 Cb 0.59 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 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 -3.12 -3.26 -4.47 0.00 3.02 -1.26 -4.90 115.26 101.28 1isk n ASN 76 Ca -0.29 0.28 -0.24 0.00 -0.03 0.00 0.00 54.58 54.30 1isk n ASN 76 Cb 0.67 -3.03 -0.10 0.00 -0.61 0.00 0.00 39.78 36.71 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 -3.37 1.67 -0.33 3.52 -6.30 0.23 0.30 118.70 114.42 1isk s GLU 77 Ca 0.00 -1.76 0.02 0.00 -2.50 0.00 0.00 54.97 50.72 1isk s GLU 77 Cb 0.00 -1.77 0.15 0.00 0.00 0.00 0.00 34.13 32.51 1isk s GLU 77 CO 0.00 0.33 0.36 0.00 0.02 0.00 0.00 175.26 175.97 1isk s ALA 78 N -2.50 -0.62 -0.57 6.30 0.00 -0.28 0.29 121.76 124.37 1isk s ALA 78 Ca 0.30 -0.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 1isk s ALA 78 Cb -0.05 -1.98 0.14 0.00 0.00 0.00 0.00 23.12 21.23 1isk s ALA 78 CO 0.15 -1.92 0.50 0.00 0.00 0.00 0.00 175.76 174.49 1isk s ALA 79 N 1.98 3.65 0.32 0.00 0.00 -0.50 0.10 121.76 127.31 1isk s ALA 79 Ca 0.13 -2.70 0.09 0.00 0.00 0.00 0.00 51.96 49.47 1isk s ALA 79 Cb -0.14 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1isk s ALA 79 CO -0.19 -2.04 0.08 -0.59 0.00 0.00 0.00 175.76 173.02 1isk s PHE 80 N 1.23 2.67 -0.18 0.00 -0.71 0.01 -0.03 117.98 120.97 1isk s PHE 80 Ca 0.07 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.61 1isk s PHE 80 Cb -0.25 -1.49 0.04 0.00 -1.21 0.00 0.00 43.02 40.11 1isk s PHE 80 CO -0.00 0.45 -0.07 0.00 -1.34 0.00 0.00 175.22 174.25 1isk s ALA 81 N -2.42 1.71 0.46 1.99 0.00 -0.48 -0.16 121.76 122.87 1isk s ALA 81 Ca 0.35 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1isk s ALA 81 Cb -0.03 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1isk s ALA 81 CO 0.21 -0.80 0.46 -0.06 0.00 0.00 0.00 175.76 175.57 1isk s PHE 82 N 1.53 2.33 -0.16 0.00 0.40 -0.07 -3.08 117.98 118.92 1isk s PHE 82 Ca -0.00 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 1isk s PHE 82 Cb -0.16 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.25 1isk s PHE 82 CO -0.08 -0.36 -0.13 0.95 0.70 0.00 0.00 175.22 176.29 1isk s THR 83 N -2.55 1.60 -0.16 0.64 -4.23 -0.10 -2.29 115.64 108.56 1isk s THR 83 Ca 0.48 -0.74 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 1isk s THR 83 Cb -0.04 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 1isk s THR 83 CO 0.29 0.39 0.27 0.68 -0.54 0.00 0.00 174.62 175.70 1isk s VAL 84 N 1.46 5.32 -0.19 2.29 -7.23 0.16 -1.09 120.40 121.11 1isk s VAL 84 Ca 0.03 0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 60.66 1isk s VAL 84 Cb -0.14 -3.60 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 1isk s VAL 84 CO -0.10 0.41 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.50 1isk s SER 85 N 0.36 4.47 -0.05 4.85 0.15 0.88 -0.28 113.70 124.08 1isk s SER 85 Ca 0.15 -0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 1isk s SER 85 Cb -0.13 -1.74 0.09 0.00 -1.71 0.00 0.00 66.02 62.53 1isk s SER 85 CO 0.03 0.07 0.79 0.72 1.20 0.00 0.00 173.24 176.05 1isk s PHE 86 N 0.96 -0.53 -0.11 3.44 -0.71 -0.52 -0.85 117.98 119.68 1isk s PHE 86 Ca -0.00 0.79 0.02 0.00 -1.04 0.00 0.00 56.93 56.69 1isk s PHE 86 Cb -0.15 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 1isk s PHE 86 CO 0.01 -0.55 -0.16 -2.00 -1.34 0.00 0.00 175.22 171.17 1isk s GLU 87 N -1.68 3.13 0.41 1.99 2.12 -1.26 -0.79 118.70 122.63 1isk s GLU 87 Ca -0.05 -0.74 0.08 0.00 0.36 0.00 0.00 54.97 54.61 1isk s GLU 87 Cb -0.00 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.87 1isk s GLU 87 CO 0.03 0.28 0.36 -0.47 -0.54 0.00 0.00 175.26 174.92 1isk s TYR 88 N 0.16 2.71 -0.59 5.30 5.04 0.04 -4.96 117.35 125.05 1isk s TYR 88 Ca -0.09 -0.49 -0.27 0.00 -2.44 0.00 0.00 57.07 53.78 1isk s TYR 88 Cb -0.15 -2.15 -0.26 0.00 0.35 0.00 0.00 41.96 39.75 1isk s TYR 88 CO 0.06 -0.10 1.83 0.00 -1.34 0.00 0.00 175.55 176.00 1isk n GLN 89 N -1.53 0.59 0.00 4.97 10.64 -1.26 -1.18 117.38 129.62 1isk n GLN 89 Ca 0.03 -1.56 0.00 0.00 -1.83 0.00 0.00 57.00 53.64 1isk n GLN 89 Cb 0.62 -3.09 0.00 0.00 -0.86 0.00 0.00 30.24 26.91 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 5.25 0.33 0.00 2.61 0.00 -1.26 -5.15 105.19 106.97 1isk n GLY 90 Ca 0.46 -0.01 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 -0.96 0.00 0.00 0.00 173.32 172.36 1isk n ARG 91 N 0.00 -3.60 -2.80 1.61 1.85 -0.33 -5.09 116.66 108.31 1isk n ARG 91 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1isk n ARG 91 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1isk n ARG 91 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1isk s LYS 92 N -1.96 3.80 -0.14 2.89 1.02 0.37 -0.78 119.74 124.93 1isk s LYS 92 Ca 0.00 0.53 -0.24 0.00 0.02 0.00 0.00 55.97 56.28 1isk s LYS 92 Cb 0.00 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 35.01 1isk s LYS 92 CO 0.00 -0.07 0.60 0.99 -0.92 0.00 0.00 175.35 175.95 1isk s THR 93 N -2.41 0.01 -0.17 2.17 2.01 0.03 -0.43 115.64 116.84 1isk s THR 93 Ca 0.52 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 1isk s THR 93 Cb -0.10 -0.88 0.05 0.00 0.01 0.00 0.00 72.50 71.58 1isk s THR 93 CO 0.31 -0.03 -0.03 0.54 -0.69 0.00 0.00 174.62 174.72 1isk s VAL 94 N -0.44 0.98 0.49 3.82 0.11 -0.04 -1.43 120.40 123.89 1isk s VAL 94 Ca -0.06 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1isk s VAL 94 Cb -0.03 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.61 1isk s VAL 94 CO 0.05 0.06 0.70 -0.69 -3.33 0.00 0.00 175.10 171.89 1isk s VAL 95 N 1.68 3.42 -0.43 2.04 1.01 0.62 -0.70 120.40 128.04 1isk s VAL 95 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1isk s VAL 95 Cb -0.16 -3.27 0.21 0.00 0.00 0.00 0.00 36.38 33.16 1isk s VAL 95 CO -0.07 -0.18 0.44 0.00 0.00 0.00 0.00 175.10 175.28 1isk n ALA 96 N -2.17 2.77 -1.65 5.51 0.00 0.14 0.36 120.51 125.47 1isk n ALA 96 Ca 0.04 -3.38 -0.32 0.00 0.00 0.00 0.00 53.44 49.78 1isk n ALA 96 Cb 0.59 -0.80 0.02 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.64 3.24 -0.19 0.00 0.04 -0.97 -4.74 135.00 131.74 1isk s PRO 97 Ca 0.34 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1isk s PRO 97 Cb 0.09 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1isk s PRO 97 CO -0.15 -0.86 -0.13 0.42 0.04 0.00 0.00 177.00 176.32 1isk s ILE 98 N -2.68 2.73 -0.22 0.56 1.01 -0.50 -0.90 121.20 121.21 1isk s ILE 98 Ca 0.61 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1isk s ILE 98 Cb -0.15 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 1isk s ILE 98 CO 0.43 0.49 0.14 -1.81 0.00 0.00 0.00 174.94 174.19 1isk s ASP 99 N 1.25 6.07 -0.55 3.58 -0.00 0.78 0.56 116.67 128.36 1isk s ASP 99 Ca 0.03 0.13 -0.04 0.00 -0.00 0.00 0.00 52.55 52.67 1isk s ASP 99 Cb -0.14 -2.08 0.14 0.00 -0.00 0.00 0.00 42.92 40.84 1isk s ASP 99 CO -0.06 0.10 0.37 -1.00 -0.00 0.00 0.00 175.17 174.59 1isk s HIS 100 N 0.83 3.49 0.55 4.23 3.76 0.15 -0.81 115.29 127.49 1isk s HIS 100 Ca 0.07 -2.47 -0.12 0.00 -0.15 0.00 0.00 55.06 52.39 1isk s HIS 100 Cb -0.13 -3.28 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 1isk s HIS 100 CO 0.02 -0.91 0.96 -0.06 -0.85 0.00 0.00 174.74 173.90 1isk s PHE 101 N 0.51 3.56 -0.34 1.40 0.40 0.11 -1.13 117.98 122.48 1isk s PHE 101 Ca 0.13 1.25 -0.01 0.00 -0.60 0.00 0.00 56.93 57.70 1isk s PHE 101 Cb -0.21 -2.66 0.13 0.00 0.51 0.00 0.00 43.02 40.79 1isk s PHE 101 CO -0.04 -0.50 0.19 1.03 0.70 0.00 0.00 175.22 176.60 1isk s ARG 102 N -4.71 0.55 0.52 0.44 0.52 0.96 -1.13 118.95 116.10 1isk s ARG 102 Ca 0.55 -1.19 -0.21 0.00 -0.52 0.00 0.00 55.73 54.36 1isk s ARG 102 Cb -0.11 -1.43 -0.06 0.00 0.52 0.00 0.00 34.95 33.88 1isk s ARG 102 CO 0.45 -1.14 1.20 0.12 0.02 0.00 0.00 175.30 175.95 1isk s PHE 103 N 1.29 2.62 -0.45 -0.53 5.36 0.15 -3.25 117.98 123.15 1isk s PHE 103 Ca 0.15 1.50 0.04 0.00 -0.96 0.00 0.00 56.93 57.66 1isk s PHE 103 Cb -0.21 -3.46 0.12 0.00 -0.34 0.00 0.00 43.02 39.13 1isk s PHE 103 CO -0.10 -1.93 0.19 -0.80 -1.46 0.00 0.00 175.22 171.11 1isk s ASN 104 N -1.42 4.41 0.00 6.13 -0.87 0.08 -4.79 114.94 118.48 1isk s ASN 104 Ca 0.70 -2.70 0.00 0.00 -1.57 0.00 0.00 52.86 49.29 1isk s ASN 104 Cb -0.30 -1.59 0.00 0.00 -0.02 0.00 0.00 41.25 39.34 1isk s ASN 104 CO 0.35 -0.28 0.00 0.61 -2.57 0.00 0.00 177.10 175.21 1isk n GLY 105 N 3.52 1.35 0.14 0.66 0.00 -1.26 0.16 105.19 109.76 1isk n GLY 105 Ca 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1isk n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk h ALA 106 N 0.00 1.00 0.00 4.61 0.00 -1.98 -2.91 119.26 119.98 1isk h ALA 106 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1isk h ALA 106 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1isk h ALA 106 CO 0.00 0.00 -0.03 0.78 0.00 0.00 0.00 179.25 180.00 1isk h GLY 107 N 3.01 0.00 0.00 0.00 0.00 0.11 -3.48 103.07 102.71 1isk h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1isk h GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1isk n LYS 108 N -4.46 0.00 -1.63 4.80 5.02 0.68 -4.66 118.16 117.90 1isk n LYS 108 Ca -0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 1isk n LYS 108 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.10 1isk n LYS 108 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1isk n VAL 109 N -0.34 0.57 -0.04 -0.18 0.31 -1.26 -0.74 118.33 116.64 1isk n VAL 109 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1isk n VAL 109 Cb 0.00 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 1isk n VAL 109 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1isk n VAL 110 N 6.54 0.00 -3.74 2.52 0.31 -1.22 -0.88 118.33 121.86 1isk n VAL 110 Ca 0.25 -0.47 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1isk n VAL 110 Cb 0.42 1.04 -0.13 0.00 -0.91 0.00 0.00 33.84 34.26 1isk n VAL 110 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1isk s SER 111 N -0.43 -0.25 -0.06 4.52 0.15 -1.20 -0.57 113.70 115.87 1isk s SER 111 Ca 0.00 0.50 -0.03 0.00 0.70 0.00 0.00 55.95 57.12 1isk s SER 111 Cb 0.00 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1isk s SER 111 CO 0.00 -0.15 0.13 -0.04 1.20 0.00 0.00 173.24 174.38 1isk s MET 112 N 1.00 0.08 0.30 5.44 1.00 0.34 -0.03 119.30 127.44 1isk s MET 112 Ca -0.07 0.31 0.05 0.00 0.00 0.00 0.00 55.69 55.98 1isk s MET 112 Cb -0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 34.83 34.54 1isk s MET 112 CO -0.06 -0.14 0.00 1.03 0.00 0.00 0.00 175.02 175.85 1isk s ARG 113 N 0.94 1.60 0.12 2.03 0.52 -0.29 0.20 118.95 124.08 1isk s ARG 113 Ca -0.07 -1.85 -0.01 0.00 -0.52 0.00 0.00 55.73 53.27 1isk s ARG 113 Cb -0.10 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 1isk s ARG 113 CO -0.04 -0.08 0.04 0.00 0.02 0.00 0.00 175.30 175.24 1isk s ALA 114 N -3.16 0.84 -0.28 2.13 0.00 0.35 0.32 121.76 121.97 1isk s ALA 114 Ca 0.33 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1isk s ALA 114 Cb 0.07 0.80 0.16 0.00 0.00 0.00 0.00 23.12 24.14 1isk s ALA 114 CO 0.14 -0.47 0.41 -0.51 0.00 0.00 0.00 175.76 175.32 1isk s LEU 115 N -3.04 -0.76 -0.11 0.00 1.43 0.19 -4.41 118.68 111.97 1isk s LEU 115 Ca 0.22 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1isk s LEU 115 Cb 0.07 1.12 -0.01 0.00 0.03 0.00 0.00 46.19 47.40 1isk s LEU 115 CO 0.01 -0.34 -0.16 0.72 0.23 0.00 0.00 176.35 176.80 1isk s PHE 116 N 2.55 2.72 0.17 0.29 -0.71 -1.26 -1.41 117.98 120.33 1isk s PHE 116 Ca 0.10 -0.71 0.00 0.00 -1.04 0.00 0.00 56.93 55.29 1isk s PHE 116 Cb -0.13 -1.78 0.00 0.00 -1.21 0.00 0.00 43.02 39.90 1isk s PHE 116 CO -0.28 -0.23 0.01 0.41 -1.34 0.00 0.00 175.22 173.79 1isk n GLY 117 N 3.40 3.93 0.24 1.99 0.00 -1.26 -4.94 105.19 108.54 1isk n GLY 117 Ca -0.18 -2.26 0.10 0.00 0.00 0.00 0.00 46.02 43.67 1isk n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1isk n GLU 118 N -0.45 0.98 -0.62 1.61 4.07 -1.26 -4.09 120.64 120.88 1isk n GLU 118 Ca -0.07 -0.49 0.07 0.00 -0.06 0.00 0.00 57.16 56.62 1isk n GLU 118 Cb 0.21 -1.42 0.32 0.00 -0.06 0.00 0.00 31.44 30.50 1isk n GLU 118 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1isk n LYS 119 N -0.73 3.72 -2.55 5.31 4.76 -1.26 -4.07 118.16 123.34 1isk n LYS 119 Ca 0.06 -2.55 -0.11 0.00 -2.87 0.00 0.00 58.31 52.84 1isk n LYS 119 Cb 0.37 -1.94 0.03 0.00 -1.84 0.00 0.00 35.03 31.65 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1isk n ASN 120 N 0.80 2.80 -4.01 4.39 3.02 -1.26 -5.05 115.26 115.95 1isk n ASN 120 Ca 0.23 -2.78 -0.16 0.00 -0.03 0.00 0.00 54.58 51.83 1isk n ASN 120 Cb 0.89 -0.45 -0.14 0.00 -0.61 0.00 0.00 39.78 39.47 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 -4.09 0.59 -0.23 2.41 1.09 -1.26 0.25 121.20 119.96 1isk s ILE 121 Ca 0.36 -0.50 -0.02 0.00 -1.10 0.00 0.00 60.65 59.39 1isk s ILE 121 Cb 0.38 -0.53 0.07 0.00 -1.06 0.00 0.00 42.46 41.31 1isk s ILE 121 CO -0.02 0.04 0.04 -1.00 -0.10 0.00 0.00 174.94 173.89 1isk s HIS 122 N -0.45 1.38 0.50 3.97 3.76 0.12 -4.94 115.29 119.62 1isk s HIS 122 Ca 0.00 -1.19 -0.10 0.00 -0.15 0.00 0.00 55.06 53.62 1isk s HIS 122 Cb -0.04 -1.26 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 1isk s HIS 122 CO 0.00 -0.70 0.87 0.00 -0.85 0.00 0.00 174.74 174.06 1isk s ALA 123 N 1.73 3.26 -0.01 -1.40 0.00 -1.26 -0.86 121.76 123.23 1isk s ALA 123 Ca 0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 1isk s ALA 123 Cb -0.17 -2.82 0.11 0.00 0.00 0.00 0.00 23.12 20.24 1isk s ALA 123 CO -0.12 -0.31 1.28 0.20 0.00 0.00 0.00 175.76 176.81 1isk s GLY 124 N -3.67 -0.30 0.00 0.00 0.00 0.42 -4.93 107.32 98.84 1isk s GLY 124 Ca 0.52 0.44 0.22 0.00 0.00 0.00 0.00 44.72 45.90 1isk s GLY 124 CO 0.41 2.00 1.19 0.00 0.00 0.00 0.00 173.10 176.69