#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isk n ASN 2 N 0.00 -6.18 -3.62 7.83 0.23 -1.26 -5.00 115.26 107.26 1isk n ASN 2 Ca 0.00 0.19 -0.13 0.00 -0.53 0.00 0.00 54.58 54.11 1isk n ASN 2 Cb 0.00 -1.87 -0.06 0.00 -2.08 0.00 0.00 39.78 35.77 1isk n ASN 2 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1isk s THR 3 N -1.29 0.04 0.07 5.53 -1.32 -1.26 -4.91 115.64 112.50 1isk s THR 3 Ca 0.18 -0.34 0.17 0.00 -1.21 0.00 0.00 61.69 60.49 1isk s THR 3 Cb -0.02 -0.96 0.09 0.00 -1.51 0.00 0.00 72.50 70.10 1isk s THR 3 CO 0.46 -0.19 1.62 1.55 -2.21 0.00 0.00 174.62 175.85 1isk h PRO 4 N 2.91 0.00 -0.17 7.08 0.13 -1.90 -1.46 132.00 138.59 1isk h PRO 4 Ca -0.31 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.61 1isk h PRO 4 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1isk h PRO 4 CO 0.42 0.46 -0.72 1.05 -0.23 0.00 0.00 178.00 178.98 1isk h GLU 5 N 0.00 0.73 -0.06 0.86 4.11 -1.98 -1.18 114.58 117.06 1isk h GLU 5 Ca -0.00 -0.56 -0.10 0.00 0.07 0.00 0.00 59.36 58.76 1isk h GLU 5 Cb 1.10 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.46 1isk h GLU 5 CO 0.06 1.18 -0.35 1.25 0.07 0.00 0.00 179.01 181.22 1isk h HIS 6 N 0.51 0.46 0.68 2.06 2.76 -1.96 -0.38 115.15 119.29 1isk h HIS 6 Ca -0.03 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 57.90 1isk h HIS 6 Cb 1.33 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 1isk h HIS 6 CO 0.07 0.96 -0.41 0.52 -1.30 0.00 0.00 177.93 177.77 1isk h MET 7 N -0.18 -1.00 -0.47 5.26 2.86 -1.31 0.37 114.93 120.47 1isk h MET 7 Ca -0.03 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1isk h MET 7 Cb 1.01 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1isk h MET 7 CO 0.07 -0.66 0.31 1.15 1.06 0.00 0.00 176.91 178.84 1isk h THR 8 N -1.03 1.12 -0.49 2.22 2.02 -1.32 -0.60 112.91 114.82 1isk h THR 8 Ca -0.09 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 66.92 1isk h THR 8 Cb 0.83 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1isk h THR 8 CO 0.09 0.12 0.33 0.00 0.37 0.00 0.00 175.52 176.43 1isk h ALA 9 N 1.17 1.85 -0.27 6.16 0.00 -0.90 -0.59 119.26 126.69 1isk h ALA 9 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1isk h ALA 9 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1isk h ALA 9 CO -0.04 0.07 -0.14 0.28 0.00 0.00 0.00 179.25 179.42 1isk h VAL 10 N 0.48 1.30 -0.71 0.00 2.07 0.95 -0.73 116.25 119.61 1isk h VAL 10 Ca 0.21 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1isk h VAL 10 Cb 0.22 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1isk h VAL 10 CO -0.05 0.39 0.41 0.58 0.02 0.00 0.00 177.57 178.92 1isk h VAL 11 N 0.32 1.00 0.21 2.57 2.07 0.28 0.35 116.25 123.05 1isk h VAL 11 Ca 0.06 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1isk h VAL 11 Cb 0.66 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1isk h VAL 11 CO 0.04 0.14 -0.10 -0.61 0.02 0.00 0.00 177.57 177.06 1isk h GLN 12 N 0.76 -0.27 -0.89 1.57 4.15 -1.03 -1.43 115.11 117.97 1isk h GLN 12 Ca 0.31 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.85 1isk h GLN 12 Cb 0.17 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.86 1isk h GLN 12 CO -0.17 -0.05 0.58 -0.09 -1.93 0.00 0.00 178.83 177.17 1isk h ARG 13 N -0.47 0.87 0.50 1.69 9.65 -0.66 -1.37 114.38 124.60 1isk h ARG 13 Ca -0.03 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1isk h ARG 13 Cb 0.35 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1isk h ARG 13 CO 0.05 0.58 -0.24 -0.92 2.80 0.00 0.00 179.97 182.23 1isk h TYR 14 N 0.90 -0.62 -0.90 2.20 3.20 -0.04 -1.45 116.97 120.25 1isk h TYR 14 Ca 0.41 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.52 1isk h TYR 14 Cb 0.39 0.21 -0.15 0.00 1.54 0.00 0.00 36.73 38.72 1isk h TYR 14 CO -0.00 -0.39 0.23 0.28 -1.64 0.00 0.00 178.16 176.65 1isk h VAL 15 N -0.71 0.27 0.04 1.81 2.07 -1.05 0.55 116.25 119.23 1isk h VAL 15 Ca -0.07 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1isk h VAL 15 Cb 0.52 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1isk h VAL 15 CO 0.11 0.03 -0.31 0.00 0.02 0.00 0.00 177.57 177.42 1isk h ALA 16 N 1.82 -0.48 -0.34 1.67 0.00 -1.09 0.47 119.26 121.31 1isk h ALA 16 Ca 0.58 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1isk h ALA 16 Cb 1.19 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1isk h ALA 16 CO -0.69 -0.84 0.22 0.00 0.00 0.00 0.00 179.25 177.95 1isk h ALA 17 N 0.22 1.77 -0.23 0.00 0.00 0.84 -0.27 119.26 121.59 1isk h ALA 17 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1isk h ALA 17 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1isk h ALA 17 CO -0.23 0.21 0.09 -0.07 0.00 0.00 0.00 179.25 179.25 1isk h LEU 18 N 0.45 0.32 -1.26 0.00 -0.00 0.20 1.62 115.31 116.64 1isk h LEU 18 Ca 0.12 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.80 1isk h LEU 18 Cb -0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 1isk h LEU 18 CO -0.03 0.40 0.11 -1.13 -0.00 0.00 0.00 178.44 177.79 1isk h ASN 19 N 0.23 0.57 0.43 -0.43 -1.24 0.87 0.22 115.58 116.22 1isk h ASN 19 Ca 0.08 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1isk h ASN 19 Cb 0.18 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1isk h ASN 19 CO -0.01 0.57 -0.24 0.00 -1.29 0.00 0.00 177.43 176.46 1isk n ALA 20 N -2.47 3.01 -1.98 1.57 0.00 -0.21 -4.91 120.51 115.52 1isk n ALA 20 Ca 0.03 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 1isk n ALA 20 Cb 0.19 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 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 1.38 0.70 3.57 0.00 0.00 0.50 -4.87 105.19 106.47 1isk n GLY 21 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1isk n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1isk s ASP 22 N -2.36 5.55 -0.04 1.61 -0.00 0.16 -4.85 116.67 116.74 1isk s ASP 22 Ca 0.00 0.69 -0.08 0.00 -0.00 0.00 0.00 52.55 53.16 1isk s ASP 22 Cb 0.00 -2.53 -0.05 0.00 -0.00 0.00 0.00 42.92 40.35 1isk s ASP 22 CO 0.00 -2.09 0.41 -0.07 -0.00 0.00 0.00 175.17 173.42 1isk h LEU 23 N 15.23 -0.25 -0.98 1.23 -0.00 -1.89 -1.40 115.31 127.25 1isk h LEU 23 Ca -0.28 0.01 0.32 0.00 -0.00 0.00 0.00 57.88 57.93 1isk h LEU 23 Cb 1.16 0.06 -0.16 0.00 -0.00 0.00 0.00 40.66 41.73 1isk h LEU 23 CO 1.15 0.08 0.46 0.44 -0.00 0.00 0.00 178.44 180.57 1isk h ASP 24 N -0.82 0.30 0.59 -0.43 5.19 -1.97 0.50 116.42 119.79 1isk h ASP 24 Ca -0.03 0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 1isk h ASP 24 Cb 0.23 0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.96 1isk h ASP 24 CO 0.05 -0.22 -0.28 1.23 -3.12 0.00 0.00 179.24 176.89 1isk h GLY 25 N 0.21 -0.83 0.94 2.75 0.00 -1.96 0.36 103.07 104.54 1isk h GLY 25 Ca 0.72 0.31 0.06 0.00 0.00 0.00 0.00 47.33 48.41 1isk h GLY 25 CO -0.68 -0.30 0.47 -2.22 0.00 0.00 0.00 176.54 173.81 1isk h ILE 26 N -0.99 0.13 0.01 2.60 2.04 0.12 1.66 117.51 123.08 1isk h ILE 26 Ca -0.08 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.51 1isk h ILE 26 Cb 0.61 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1isk h ILE 26 CO 0.13 0.00 -1.47 0.58 0.00 0.00 0.00 178.15 177.39 1isk h VAL 27 N 0.00 1.15 -0.00 1.67 2.07 0.28 -3.25 116.25 118.16 1isk h VAL 27 Ca 0.10 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.68 1isk h VAL 27 Cb 1.04 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1isk h VAL 27 CO -0.00 0.69 -0.20 0.00 0.02 0.00 0.00 177.57 178.08 1isk n ALA 28 N -2.51 2.89 0.02 1.67 0.00 0.51 -4.12 120.51 118.97 1isk n ALA 28 Ca -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 1isk n ALA 28 Cb 1.02 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 1isk n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1isk h LEU 29 N 0.34 -0.05 0.00 0.00 6.46 0.11 -3.47 115.31 118.70 1isk h LEU 29 Ca 0.00 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.57 1isk h LEU 29 Cb 0.44 0.01 0.09 0.00 -0.73 0.00 0.00 40.66 40.47 1isk h LEU 29 CO 0.00 0.00 0.13 2.22 -0.62 0.00 0.00 178.44 180.17 1isk n PHE 30 N -2.37 -3.73 -0.06 1.25 1.16 -1.25 -4.75 117.46 107.72 1isk n PHE 30 Ca -0.01 -0.50 -0.03 0.00 -1.87 0.00 0.00 57.45 55.04 1isk n PHE 30 Cb 0.02 -0.50 0.03 0.00 -1.61 0.00 0.00 39.48 37.43 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 -3.61 -0.58 0.51 1.98 0.00 0.26 -4.81 120.51 114.27 1isk n ALA 31 Ca -0.10 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.23 1isk n ALA 31 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 1isk n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1isk n ASP 32 N -2.27 0.90 -2.06 0.00 2.03 -1.26 -4.51 116.55 109.37 1isk n ASP 32 Ca 0.02 -0.95 0.02 0.00 0.52 0.00 0.00 54.79 54.39 1isk n ASP 32 Cb 0.07 0.74 0.03 0.00 -0.72 0.00 0.00 41.12 41.24 1isk n ASP 32 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1isk n ASP 33 N -0.76 1.05 -3.43 1.67 5.68 -1.26 -1.82 116.55 117.68 1isk n ASP 33 Ca 0.03 -2.02 -0.24 0.00 -0.50 0.00 0.00 54.79 52.07 1isk n ASP 33 Cb 0.20 -0.31 0.19 0.00 -1.14 0.00 0.00 41.12 40.06 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1isk n ALA 34 N -0.05 -2.18 -3.82 2.12 0.00 -1.26 -4.32 120.51 111.00 1isk n ALA 34 Ca 0.04 -1.35 -0.26 0.00 0.00 0.00 0.00 53.44 51.86 1isk n ALA 34 Cb 0.98 -0.08 -0.17 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.90 1.04 -0.05 0.00 -4.23 0.09 -0.74 115.64 108.85 1isk s THR 35 Ca 0.59 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.75 1isk s THR 35 Cb -0.04 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 1isk s THR 35 CO 0.44 0.36 0.10 -0.69 -0.54 0.00 0.00 174.62 174.29 1isk s VAL 36 N 1.50 4.99 -0.28 2.29 1.01 0.71 -1.06 120.40 129.55 1isk s VAL 36 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1isk s VAL 36 Cb -0.13 -3.23 0.15 0.00 0.00 0.00 0.00 36.38 33.17 1isk s VAL 36 CO -0.06 0.46 0.38 -1.83 0.00 0.00 0.00 175.10 174.05 1isk s GLU 37 N -1.43 0.38 -0.05 2.72 -1.05 0.21 -0.11 118.70 119.37 1isk s GLU 37 Ca 0.20 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.16 1isk s GLU 37 Cb -0.12 -0.41 0.02 0.00 -0.44 0.00 0.00 34.13 33.18 1isk s GLU 37 CO 0.10 -0.96 -0.02 0.34 0.95 0.00 0.00 175.26 175.67 1isk s ASP 38 N 2.51 0.99 0.00 0.83 -1.08 -1.26 -1.41 116.67 117.24 1isk s ASP 38 Ca 0.10 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 1isk s ASP 38 Cb -0.13 -0.38 0.00 0.00 -1.46 0.00 0.00 42.92 40.95 1isk s ASP 38 CO -0.28 -0.11 0.19 -0.81 0.52 0.00 0.00 175.17 174.68 1isk n PRO 39 N 4.40 0.00 -3.83 4.34 -0.04 -1.26 -4.80 135.00 133.81 1isk n PRO 39 Ca -0.20 0.28 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1isk n PRO 39 Cb 0.50 -0.90 -0.12 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.95 0.02 -1.15 0.52 1.01 -1.23 -3.09 120.40 115.53 1isk s VAL 40 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1isk s VAL 40 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1isk s VAL 40 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1isk n GLY 41 N 2.58 0.04 3.05 4.51 0.00 -1.26 -4.87 105.19 109.23 1isk n GLY 41 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.36 3.94 -3.29 1.61 7.64 -1.26 -4.89 113.62 115.99 1isk n SER 42 Ca -0.14 -3.16 -0.16 0.00 1.01 0.00 0.00 58.87 56.42 1isk n SER 42 Cb 0.55 -0.98 0.02 0.00 -1.01 0.00 0.00 64.21 62.78 1isk n SER 42 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1isk n GLU 43 N 2.19 -1.12 -2.52 1.43 0.28 -1.26 -4.60 120.64 115.04 1isk n GLU 43 Ca 0.21 1.15 -0.38 0.00 -0.16 0.00 0.00 57.16 57.98 1isk n GLU 43 Cb 0.36 -1.70 -0.04 0.00 1.43 0.00 0.00 31.44 31.50 1isk n GLU 43 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1isk s PRO 44 N -1.66 4.33 0.00 3.44 0.04 -1.26 -4.85 135.00 135.04 1isk s PRO 44 Ca 0.16 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1isk s PRO 44 Cb -0.02 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1isk s PRO 44 CO 0.41 -0.02 0.01 1.03 0.04 0.00 0.00 177.00 178.47 1isk s ARG 45 N -2.12 2.79 -0.13 4.56 1.81 0.85 -4.97 118.95 121.74 1isk s ARG 45 Ca 0.53 -0.61 -0.01 0.00 -1.72 0.00 0.00 55.73 53.92 1isk s ARG 45 Cb -0.25 -2.68 0.03 0.00 -0.45 0.00 0.00 34.95 31.60 1isk s ARG 45 CO 0.32 0.62 -0.03 -1.54 -0.68 0.00 0.00 175.30 173.99 1isk s SER 46 N -1.59 2.27 0.00 0.23 1.04 -1.26 -0.21 113.70 114.18 1isk s SER 46 Ca 0.20 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1isk s SER 46 Cb -0.12 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1isk s SER 46 CO 0.11 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1isk n GLY 47 N 5.00 3.91 0.42 7.32 0.00 0.08 -4.69 105.19 117.24 1isk n GLY 47 Ca -0.10 -1.21 0.20 0.00 0.00 0.00 0.00 46.02 44.91 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 0.14 0.39 2.61 1.03 -1.58 0.13 112.91 115.64 1isk h THR 48 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1isk h THR 48 Cb 0.00 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 67.45 1isk h THR 48 CO 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 175.52 175.32 1isk h ALA 49 N 0.99 -0.91 -0.88 0.00 0.00 -1.89 0.60 119.26 117.17 1isk h ALA 49 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1isk h ALA 49 Cb 1.71 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 1isk h ALA 49 CO -0.00 -0.87 0.57 0.00 0.00 0.00 0.00 179.25 178.95 1isk h ALA 50 N -1.64 1.47 -0.97 0.00 0.00 -1.30 0.04 119.26 116.84 1isk h ALA 50 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1isk h ALA 50 Cb 0.40 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1isk h ALA 50 CO 0.09 0.44 0.63 0.82 0.00 0.00 0.00 179.25 181.23 1isk h ILE 51 N 1.08 1.08 0.03 0.00 2.04 -0.80 0.40 117.51 121.34 1isk h ILE 51 Ca 0.35 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1isk h ILE 51 Cb 0.05 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 1isk h ILE 51 CO -0.11 0.21 -0.02 -0.09 0.00 0.00 0.00 178.15 178.14 1isk h ARG 52 N 1.13 -0.04 -1.41 2.37 1.12 0.90 -0.40 114.38 118.05 1isk h ARG 52 Ca 0.42 0.00 0.42 0.00 -1.11 0.00 0.00 59.98 59.71 1isk h ARG 52 Cb 0.18 0.01 -0.08 0.00 -0.01 0.00 0.00 29.97 30.07 1isk h ARG 52 CO -0.17 -0.03 0.97 0.93 -3.11 0.00 0.00 179.97 178.57 1isk h GLU 53 N -0.09 0.08 0.08 0.20 4.39 -1.06 0.19 114.58 118.38 1isk h GLU 53 Ca -0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1isk h GLU 53 Cb 0.03 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1isk h GLU 53 CO 0.01 0.05 -0.04 0.35 -1.16 0.00 0.00 179.01 178.22 1isk h PHE 54 N 0.08 -0.10 -1.01 4.33 3.57 -0.21 -1.16 116.94 122.43 1isk h PHE 54 Ca 0.74 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 62.54 1isk h PHE 54 Cb 2.63 0.03 -0.14 0.00 2.79 0.00 0.00 35.95 41.26 1isk h PHE 54 CO -0.00 -0.06 0.58 1.88 -2.23 0.00 0.00 178.31 178.47 1isk h TYR 55 N -0.23 0.94 0.32 0.41 -1.99 0.02 0.23 116.97 116.66 1isk h TYR 55 Ca -0.01 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1isk h TYR 55 Cb 0.09 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.57 1isk h TYR 55 CO 0.07 -0.13 -0.15 0.00 -0.00 0.00 0.00 178.16 177.95 1isk h ALA 56 N 1.82 -0.43 -0.72 3.88 0.00 -0.74 0.25 119.26 123.32 1isk h ALA 56 Ca 0.72 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.67 1isk h ALA 56 Cb 1.61 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1isk h ALA 56 CO -0.58 -0.61 0.59 -0.97 0.00 0.00 0.00 179.25 177.69 1isk h ASN 57 N -0.70 0.00 0.02 0.00 -1.24 0.65 0.20 115.58 114.52 1isk h ASN 57 Ca -0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1isk h ASN 57 Cb 0.48 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1isk h ASN 57 CO 0.07 0.00 -0.01 0.28 -1.29 0.00 0.00 177.43 176.48 1isk h SER 58 N 0.00 -0.03 -0.01 1.15 0.02 -0.37 -3.23 113.55 111.09 1isk h SER 58 Ca 0.34 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1isk h SER 58 Cb 1.52 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.07 1isk h SER 58 CO -0.00 0.69 0.31 -0.07 -1.14 0.00 0.00 176.83 176.62 1isk h LEU 59 N -0.99 0.00 -1.90 5.07 3.38 0.11 -1.47 115.31 119.52 1isk h LEU 59 Ca -0.00 0.00 0.55 0.00 0.09 0.00 0.00 57.88 58.52 1isk h LEU 59 Cb 0.49 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1isk h LEU 59 CO 0.01 0.00 1.41 1.17 0.09 0.00 0.00 178.44 181.12 1isk n LYS 60 N -2.92 0.00 -3.45 1.13 0.00 0.55 -4.04 118.16 109.42 1isk n LYS 60 Ca -0.02 1.08 -0.38 0.00 0.00 0.00 0.00 58.31 58.99 1isk n LYS 60 Cb 0.36 -2.51 -0.06 0.00 0.00 0.00 0.00 35.03 32.81 1isk n LYS 60 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1isk s LEU 61 N -7.71 4.39 -1.14 3.14 2.96 -0.55 -4.99 118.68 114.78 1isk s LEU 61 Ca -0.05 0.87 -0.22 0.00 -0.22 0.00 0.00 54.13 54.52 1isk s LEU 61 Cb 0.26 -2.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.35 1isk s LEU 61 CO 0.85 0.21 1.78 -2.16 -1.32 0.00 0.00 176.35 175.71 1isk s PRO 62 N -0.43 3.20 0.29 0.98 0.04 -1.26 -4.91 135.00 132.91 1isk s PRO 62 Ca 0.23 -1.28 0.03 0.00 0.04 0.00 0.00 61.00 60.02 1isk s PRO 62 Cb -0.16 -5.33 0.03 0.00 0.04 0.00 0.00 34.50 29.08 1isk s PRO 62 CO 0.11 -2.98 0.26 1.47 0.04 0.00 0.00 177.00 175.91 1isk n LEU 63 N 11.31 0.00 -3.54 -3.56 -0.00 -1.26 -3.98 117.00 115.97 1isk n LEU 63 Ca 0.43 -1.43 -0.22 0.00 -0.00 0.00 0.00 56.01 54.79 1isk n LEU 63 Cb 0.47 -0.07 -0.15 0.00 -0.00 0.00 0.00 43.42 43.68 1isk n LEU 63 CO 0.69 -0.47 -0.26 0.00 -0.00 0.00 0.00 177.39 177.35 1isk s ALA 64 N -2.39 0.05 0.04 1.47 0.00 0.15 -4.96 121.76 116.11 1isk s ALA 64 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 1isk s ALA 64 Cb -0.02 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.85 1isk s ALA 64 CO 0.13 -1.21 0.44 0.08 0.00 0.00 0.00 175.76 175.20 1isk s VAL 65 N 2.24 5.00 -0.23 0.00 1.01 -1.26 -1.37 120.40 125.78 1isk s VAL 65 Ca 0.05 0.78 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 1isk s VAL 65 Cb -0.16 -3.71 0.12 0.00 0.00 0.00 0.00 36.38 32.63 1isk s VAL 65 CO -0.11 0.48 1.02 -0.70 0.00 0.00 0.00 175.10 175.78 1isk s GLU 66 N -1.36 0.54 1.02 2.72 2.12 -0.59 -4.56 118.70 118.59 1isk s GLU 66 Ca 0.28 0.41 -0.17 0.00 0.36 0.00 0.00 54.97 55.85 1isk s GLU 66 Cb -0.16 0.26 0.23 0.00 0.26 0.00 0.00 34.13 34.72 1isk s GLU 66 CO 0.15 -0.11 1.32 -1.17 -0.54 0.00 0.00 175.26 174.91 1isk s LEU 67 N -0.30 2.46 0.00 2.70 0.20 -1.26 0.07 118.68 122.54 1isk s LEU 67 Ca 0.01 0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.05 1isk s LEU 67 Cb -0.03 -2.14 0.00 0.00 -0.43 0.00 0.00 46.19 43.58 1isk s LEU 67 CO -0.03 -3.07 0.00 1.07 -0.29 0.00 0.00 176.35 174.03 1isk n THR 68 N -3.98 0.00 0.00 3.68 5.66 -1.26 -4.70 114.28 113.67 1isk n THR 68 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 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 -3.87 1.09 6.02 -1.23 -5.07 117.38 114.32 1isk n GLN 69 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1isk n GLN 69 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 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 0.00 0.90 -0.02 -1.09 2.02 -1.25 -5.02 118.70 114.24 1isk s GLU 70 Ca 0.00 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.49 1isk s GLU 70 Cb 0.00 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.48 1isk s GLU 70 CO 0.00 -0.42 -0.20 0.08 0.02 0.00 0.00 175.26 174.74 1isk s VAL 71 N -2.27 1.59 -0.64 2.63 1.01 -1.26 -1.28 120.40 120.17 1isk s VAL 71 Ca 0.22 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1isk s VAL 71 Cb -0.01 -1.33 0.16 0.00 0.00 0.00 0.00 36.38 35.20 1isk s VAL 71 CO 0.02 0.45 0.43 -0.60 0.00 0.00 0.00 175.10 175.40 1isk s ARG 72 N -0.41 2.39 0.01 2.72 6.06 0.31 -4.91 118.95 125.11 1isk s ARG 72 Ca 0.06 -2.94 -0.19 0.00 -2.50 0.00 0.00 55.73 50.16 1isk s ARG 72 Cb -0.08 -3.50 -0.06 0.00 0.06 0.00 0.00 34.95 31.37 1isk s ARG 72 CO -0.00 -1.20 0.56 0.00 -2.50 0.00 0.00 175.30 172.16 1isk s ALA 73 N -0.78 3.54 0.00 6.12 0.00 -1.26 -0.81 121.76 128.56 1isk s ALA 73 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1isk s ALA 73 Cb -0.16 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1isk s ALA 73 CO -0.08 0.25 0.00 0.28 0.00 0.00 0.00 175.76 176.22 1isk n VAL 74 N 2.42 0.00 -1.51 0.00 0.31 0.74 -4.90 118.33 115.39 1isk n VAL 74 Ca -0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.96 1isk n VAL 74 Cb 0.51 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.29 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 0.70 -2.87 3.52 0.00 -1.26 -1.25 120.51 116.34 1isk n ALA 75 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.55 1isk n ALA 75 Cb 0.00 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 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 10.38 -1.08 -4.35 0.00 3.02 -1.26 -4.83 115.26 117.15 1isk n ASN 76 Ca 0.60 -0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.77 1isk n ASN 76 Cb 0.20 -1.00 -0.10 0.00 -0.61 0.00 0.00 39.78 38.26 1isk n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1isk s GLU 77 N -4.85 1.33 -0.38 3.52 2.02 -0.38 0.26 118.70 120.21 1isk s GLU 77 Ca 0.28 -1.54 0.05 0.00 0.02 0.00 0.00 54.97 53.79 1isk s GLU 77 Cb -0.16 -1.22 0.17 0.00 0.10 0.00 0.00 34.13 33.02 1isk s GLU 77 CO 0.34 0.22 0.50 0.00 0.02 0.00 0.00 175.26 176.35 1isk s ALA 78 N -2.65 -1.44 -0.49 5.21 0.00 0.17 -0.19 121.76 122.37 1isk s ALA 78 Ca 0.21 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1isk s ALA 78 Cb -0.03 -2.39 0.12 0.00 0.00 0.00 0.00 23.12 20.82 1isk s ALA 78 CO 0.07 -2.15 0.39 0.00 0.00 0.00 0.00 175.76 174.07 1isk s ALA 79 N 1.73 3.47 0.18 0.00 0.00 0.01 -0.62 121.76 126.53 1isk s ALA 79 Ca 0.16 -2.50 0.10 0.00 0.00 0.00 0.00 51.96 49.72 1isk s ALA 79 Cb -0.10 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1isk s ALA 79 CO -0.07 -1.92 -0.21 -0.59 0.00 0.00 0.00 175.76 172.97 1isk s PHE 80 N 1.45 2.06 -0.20 0.00 -0.12 -0.13 -0.53 117.98 120.51 1isk s PHE 80 Ca 0.05 -0.41 -0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1isk s PHE 80 Cb -0.27 -1.02 -0.03 0.00 -0.63 0.00 0.00 43.02 41.07 1isk s PHE 80 CO 0.01 0.43 0.01 0.00 -0.05 0.00 0.00 175.22 175.62 1isk s ALA 81 N -1.90 3.08 0.42 1.99 0.00 -0.41 0.35 121.76 125.30 1isk s ALA 81 Ca 0.19 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1isk s ALA 81 Cb -0.07 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 1isk s ALA 81 CO 0.09 -0.13 0.04 -0.59 0.00 0.00 0.00 175.76 175.16 1isk s PHE 82 N 0.97 2.09 0.20 0.00 -0.71 -0.60 -3.54 117.98 116.39 1isk s PHE 82 Ca 0.02 -0.92 0.09 0.00 -1.04 0.00 0.00 56.93 55.09 1isk s PHE 82 Cb -0.14 -1.53 -0.04 0.00 -1.21 0.00 0.00 43.02 40.10 1isk s PHE 82 CO 0.02 0.17 -0.10 0.95 -1.34 0.00 0.00 175.22 174.92 1isk s THR 83 N -2.96 3.14 -0.25 -4.49 -4.23 0.11 -2.66 115.64 104.30 1isk s THR 83 Ca 0.25 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1isk s THR 83 Cb 0.06 -2.58 0.14 0.00 1.34 0.00 0.00 72.50 71.46 1isk s THR 83 CO 0.12 -0.16 0.39 0.54 -0.54 0.00 0.00 174.62 174.97 1isk s VAL 84 N -1.82 -0.62 -0.15 2.29 0.11 0.37 -1.55 120.40 119.03 1isk s VAL 84 Ca 0.26 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.12 1isk s VAL 84 Cb -0.08 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1isk s VAL 84 CO 0.15 -0.13 0.19 -0.55 -3.33 0.00 0.00 175.10 171.43 1isk s SER 85 N 2.56 6.37 0.37 3.54 0.15 -0.47 0.55 113.70 126.76 1isk s SER 85 Ca 0.13 0.43 0.08 0.00 0.70 0.00 0.00 55.95 57.29 1isk s SER 85 Cb -0.15 -2.11 -0.07 0.00 -1.71 0.00 0.00 66.02 61.97 1isk s SER 85 CO -0.17 0.26 -0.04 -0.36 1.20 0.00 0.00 173.24 174.13 1isk s PHE 86 N -0.22 2.41 -0.14 3.44 0.40 0.20 0.29 117.98 124.36 1isk s PHE 86 Ca 0.13 -0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 1isk s PHE 86 Cb -0.12 -1.54 0.04 0.00 0.51 0.00 0.00 43.02 41.90 1isk s PHE 86 CO 0.02 0.48 0.38 -2.00 0.70 0.00 0.00 175.22 174.81 1isk s GLU 87 N -3.67 0.45 -0.30 0.44 2.12 -1.26 -1.38 118.70 115.11 1isk s GLU 87 Ca 0.34 0.51 -0.20 0.00 0.36 0.00 0.00 54.97 55.97 1isk s GLU 87 Cb 0.06 0.22 0.21 0.00 0.26 0.00 0.00 34.13 34.88 1isk s GLU 87 CO 0.17 -0.06 1.37 -0.47 -0.54 0.00 0.00 175.26 175.73 1isk s TYR 88 N 0.16 -0.03 -1.39 5.30 5.04 -0.31 -4.67 117.35 121.44 1isk s TYR 88 Ca -0.00 0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.63 1isk s TYR 88 Cb -0.03 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.55 1isk s TYR 88 CO 0.01 -0.02 0.92 1.04 -1.34 0.00 0.00 175.55 176.16 1isk n GLN 89 N 2.35 -5.85 -0.90 4.97 6.02 -1.26 0.25 117.38 122.96 1isk n GLN 89 Ca -0.14 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1isk n GLN 89 Cb 0.56 -5.49 0.00 0.00 1.02 0.00 0.00 30.24 26.34 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1isk n GLY 90 N -1.64 0.27 3.90 1.08 0.00 -1.26 -4.97 105.19 102.58 1isk n GLY 90 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1isk n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isk s ARG 91 N -0.99 3.64 -0.19 1.61 0.52 0.14 -4.80 118.95 118.89 1isk s ARG 91 Ca 0.00 0.03 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 1isk s ARG 91 Cb 0.00 -2.62 0.08 0.00 0.52 0.00 0.00 34.95 32.93 1isk s ARG 91 CO 0.00 0.19 0.40 0.15 0.02 0.00 0.00 175.30 176.06 1isk s LYS 92 N -3.61 0.33 0.34 3.54 1.02 -0.45 -1.17 119.74 119.74 1isk s LYS 92 Ca 0.44 0.95 0.04 0.00 0.02 0.00 0.00 55.97 57.43 1isk s LYS 92 Cb -0.11 0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 37.36 1isk s LYS 92 CO 0.30 -0.23 0.06 0.99 -0.92 0.00 0.00 175.35 175.55 1isk s THR 93 N 2.30 1.20 -0.32 2.17 2.01 -0.48 0.34 115.64 122.86 1isk s THR 93 Ca -0.03 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 59.98 1isk s THR 93 Cb -0.11 -2.77 0.15 0.00 0.01 0.00 0.00 72.50 69.78 1isk s THR 93 CO -0.12 0.00 0.34 0.54 -0.69 0.00 0.00 174.62 174.68 1isk s VAL 94 N -3.25 -0.40 0.14 3.82 0.11 0.13 -0.63 120.40 120.33 1isk s VAL 94 Ca 0.35 -0.65 -0.18 0.00 -2.93 0.00 0.00 61.98 58.57 1isk s VAL 94 Cb 0.08 -0.88 -0.07 0.00 -1.53 0.00 0.00 36.38 33.98 1isk s VAL 94 CO 0.15 -0.49 0.62 -0.69 -3.33 0.00 0.00 175.10 171.37 1isk s VAL 95 N 2.05 4.69 -0.61 2.04 1.01 0.19 -1.10 120.40 128.67 1isk s VAL 95 Ca 0.12 1.16 0.06 0.00 0.00 0.00 0.00 61.98 63.33 1isk s VAL 95 Cb -0.14 -3.86 0.25 0.00 0.00 0.00 0.00 36.38 32.63 1isk s VAL 95 CO -0.22 0.37 0.72 0.00 0.00 0.00 0.00 175.10 175.96 1isk n ALA 96 N 1.17 3.86 -1.54 5.51 0.00 0.89 0.14 120.51 130.54 1isk n ALA 96 Ca -0.06 -4.60 -0.29 0.00 0.00 0.00 0.00 53.44 48.49 1isk n ALA 96 Cb 0.51 -0.89 0.14 0.00 0.00 0.00 0.00 19.45 19.21 1isk n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1isk s PRO 97 N -2.32 1.07 -0.17 0.00 0.04 -1.09 -4.74 135.00 127.80 1isk s PRO 97 Ca 0.39 0.26 0.01 0.00 0.04 0.00 0.00 61.00 61.70 1isk s PRO 97 Cb 0.15 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.87 1isk s PRO 97 CO -0.02 -2.24 -0.18 0.42 0.04 0.00 0.00 177.00 175.02 1isk s ILE 98 N -3.29 2.34 -0.18 0.56 1.01 0.04 -1.55 121.20 120.14 1isk s ILE 98 Ca 0.64 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 60.23 1isk s ILE 98 Cb -0.14 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1isk s ILE 98 CO 0.53 0.52 0.57 -1.81 0.00 0.00 0.00 174.94 174.75 1isk s ASP 99 N 1.09 6.66 -0.48 3.58 1.11 0.16 0.34 116.67 129.13 1isk s ASP 99 Ca -0.00 0.80 -0.01 0.00 0.18 0.00 0.00 52.55 53.51 1isk s ASP 99 Cb -0.14 -2.32 0.13 0.00 1.07 0.00 0.00 42.92 41.65 1isk s ASP 99 CO -0.06 -0.18 0.26 -2.28 1.18 0.00 0.00 175.17 174.09 1isk s HIS 100 N 1.53 3.51 0.12 4.23 5.65 0.15 -0.96 115.29 129.52 1isk s HIS 100 Ca 0.27 -2.67 -0.15 0.00 0.25 0.00 0.00 55.06 52.75 1isk s HIS 100 Cb -0.16 -3.13 -0.07 0.00 -1.18 0.00 0.00 32.58 28.04 1isk s HIS 100 CO 0.11 -0.90 0.54 -0.06 -0.65 0.00 0.00 174.74 173.78 1isk s PHE 101 N 0.57 3.66 -0.39 3.88 0.08 0.21 -1.50 117.98 124.49 1isk s PHE 101 Ca 0.12 1.10 0.01 0.00 0.12 0.00 0.00 56.93 58.28 1isk s PHE 101 Cb -0.22 -2.39 0.13 0.00 -0.57 0.00 0.00 43.02 39.97 1isk s PHE 101 CO -0.04 0.48 0.19 1.03 -0.10 0.00 0.00 175.22 176.78 1isk s ARG 102 N -1.73 1.06 0.72 0.44 0.52 -0.06 -0.65 118.95 119.25 1isk s ARG 102 Ca 0.35 -1.68 -0.14 0.00 -0.52 0.00 0.00 55.73 53.74 1isk s ARG 102 Cb -0.16 -2.17 0.03 0.00 0.52 0.00 0.00 34.95 33.18 1isk s ARG 102 CO 0.19 -1.11 1.13 -0.06 0.02 0.00 0.00 175.30 175.47 1isk s PHE 103 N 0.78 2.39 -5.00 -0.53 0.40 0.14 -3.02 117.98 113.14 1isk s PHE 103 Ca 0.15 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 1isk s PHE 103 Cb -0.22 -3.23 0.00 0.00 0.51 0.00 0.00 43.02 40.08 1isk s PHE 103 CO -0.07 -2.02 0.00 0.09 0.70 0.00 0.00 175.22 173.92 1isk n ASN 104 N -2.85 0.00 -2.88 1.36 5.03 0.70 -4.81 115.26 111.80 1isk n ASN 104 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1isk n ASN 104 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1isk n ASN 104 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1isk n GLY 105 N -0.24 0.00 2.72 7.41 0.00 -1.26 -0.31 105.19 113.51 1isk n GLY 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.34 0.00 -1.23 4.61 0.00 -1.26 -3.12 120.51 120.85 1isk n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 -2.00 0.48 3.71 0.00 0.00 -0.82 -4.79 105.19 101.76 1isk n GLY 107 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.50 2.20 -0.29 1.61 1.02 0.57 -4.43 119.74 117.91 1isk s LYS 108 Ca 0.00 -1.78 -0.29 0.00 0.02 0.00 0.00 55.97 53.92 1isk s LYS 108 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1isk s LYS 108 CO 0.00 -0.01 1.27 0.08 -0.92 0.00 0.00 175.35 175.76 1isk s VAL 109 N -2.56 4.20 -0.20 3.17 1.01 -1.26 -0.22 120.40 124.55 1isk s VAL 109 Ca 0.39 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.78 1isk s VAL 109 Cb 0.02 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1isk s VAL 109 CO 0.22 -0.46 0.20 0.52 0.00 0.00 0.00 175.10 175.58 1isk n VAL 110 N 6.11 0.00 -4.28 2.92 0.31 -1.17 0.93 118.33 123.14 1isk n VAL 110 Ca 0.14 -0.33 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 1isk n VAL 110 Cb 0.47 0.87 -0.17 0.00 -0.91 0.00 0.00 33.84 34.10 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 -1.72 2.11 -0.30 4.52 0.01 -1.18 -0.73 113.70 116.42 1isk s SER 111 Ca 0.01 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 1isk s SER 111 Cb 0.04 -0.91 0.10 0.00 0.21 0.00 0.00 66.02 65.46 1isk s SER 111 CO 0.21 -0.03 0.12 -0.32 0.41 0.00 0.00 173.24 173.63 1isk s MET 112 N 1.15 0.42 -0.16 12.44 0.00 -0.22 -0.88 119.30 132.05 1isk s MET 112 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 55.69 54.87 1isk s MET 112 Cb -0.14 -1.52 0.01 0.00 0.00 0.00 0.00 34.83 33.18 1isk s MET 112 CO -0.02 -1.01 -0.19 0.50 0.00 0.00 0.00 175.02 174.29 1isk s ARG 113 N 1.86 3.07 -0.30 4.11 3.52 -0.56 -0.62 118.95 130.03 1isk s ARG 113 Ca 0.10 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.78 1isk s ARG 113 Cb -0.17 -2.55 -0.02 0.00 -1.56 0.00 0.00 34.95 30.66 1isk s ARG 113 CO -0.31 -0.08 0.15 0.00 -0.81 0.00 0.00 175.30 174.25 1isk s ALA 114 N 1.00 3.32 -0.26 6.12 0.00 -0.50 0.31 121.76 131.75 1isk s ALA 114 Ca -0.02 -1.30 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 1isk s ALA 114 Cb -0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1isk s ALA 114 CO -0.05 -0.78 0.36 -0.51 0.00 0.00 0.00 175.76 174.78 1isk s LEU 115 N 1.65 4.05 0.00 0.00 1.43 0.15 -3.54 118.68 122.42 1isk s LEU 115 Ca 0.05 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1isk s LEU 115 Cb -0.17 -2.41 0.05 0.00 0.03 0.00 0.00 46.19 43.69 1isk s LEU 115 CO 0.07 -0.16 0.40 0.49 0.23 0.00 0.00 176.35 177.38 1isk n PHE 116 N 5.18 -2.40 -3.33 0.29 3.01 -1.26 -0.78 117.46 118.17 1isk n PHE 116 Ca -0.09 -1.15 -0.03 0.00 1.01 0.00 0.00 57.45 57.19 1isk n PHE 116 Cb 0.51 -0.29 0.01 0.00 -0.01 0.00 0.00 39.48 39.70 1isk n PHE 116 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1isk n GLY 117 N 1.24 1.86 0.00 1.37 0.00 -1.26 -4.96 105.19 103.45 1isk n GLY 117 Ca 0.07 -1.15 0.06 0.00 0.00 0.00 0.00 46.02 45.00 1isk n GLY 117 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1isk n GLU 118 N -0.17 0.89 -0.36 1.61 0.28 -1.26 -4.38 120.64 117.24 1isk n GLU 118 Ca -0.02 -0.09 0.07 0.00 -0.16 0.00 0.00 57.16 56.96 1isk n GLU 118 Cb 0.19 -1.24 0.23 0.00 1.43 0.00 0.00 31.44 32.05 1isk n GLU 118 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1isk n LYS 119 N -1.80 3.05 -0.00 3.44 5.02 -1.26 -4.23 118.16 122.38 1isk n LYS 119 Ca -0.01 -2.51 0.04 0.00 -2.02 0.00 0.00 58.31 53.81 1isk n LYS 119 Cb 0.29 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1isk n ASN 120 N 0.19 1.11 -4.73 4.39 3.02 -1.26 -4.96 115.26 113.01 1isk n ASN 120 Ca 0.18 -0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 53.86 1isk n ASN 120 Cb 0.70 1.12 -0.08 0.00 -0.61 0.00 0.00 39.78 40.90 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 -2.07 4.97 -0.27 2.41 1.09 -1.26 -0.08 121.20 125.99 1isk s ILE 121 Ca 0.02 0.02 -0.02 0.00 -1.10 0.00 0.00 60.65 59.56 1isk s ILE 121 Cb 0.07 -3.19 0.09 0.00 -1.06 0.00 0.00 42.46 38.37 1isk s ILE 121 CO 0.37 0.54 0.08 -1.00 -0.10 0.00 0.00 174.94 174.84 1isk s HIS 122 N -0.35 1.30 0.45 3.97 0.09 -0.26 -4.98 115.29 115.51 1isk s HIS 122 Ca 0.10 -1.35 -0.02 0.00 -0.00 0.00 0.00 55.06 53.78 1isk s HIS 122 Cb -0.12 -1.39 -0.02 0.00 -0.00 0.00 0.00 32.58 31.05 1isk s HIS 122 CO 0.02 -0.80 0.70 0.00 -0.00 0.00 0.00 174.74 174.66 1isk s ALA 123 N 1.76 3.55 0.03 -1.40 0.00 -1.26 0.22 121.76 124.66 1isk s ALA 123 Ca 0.06 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1isk s ALA 123 Cb -0.17 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.62 1isk s ALA 123 CO -0.22 -0.31 0.38 0.41 0.00 0.00 0.00 175.76 176.02 1isk n GLY 124 N -2.12 0.78 0.11 0.00 0.00 0.15 -4.91 105.19 99.20 1isk n GLY 124 Ca -0.00 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.08 1isk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32