#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 6.78 -4.53 7.83 6.94 -1.26 -4.61 115.26 126.41 1isk n ASN 2 Ca 0.00 -2.59 -0.26 0.00 -0.02 0.00 0.00 54.58 51.71 1isk n ASN 2 Cb 0.00 -1.46 -0.10 0.00 -2.36 0.00 0.00 39.78 35.86 1isk n ASN 2 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1isk s THR 3 N 1.12 2.91 0.21 5.53 -4.23 -1.26 -4.85 115.64 115.08 1isk s THR 3 Ca 0.67 -1.86 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1isk s THR 3 Cb 0.27 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 71.56 1isk s THR 3 CO -0.04 -0.17 1.48 1.55 -0.54 0.00 0.00 174.62 176.91 1isk h PRO 4 N 2.83 0.05 -0.33 3.99 0.13 -1.93 -1.05 132.00 135.69 1isk h PRO 4 Ca -0.46 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1isk h PRO 4 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1isk h PRO 4 CO 0.54 0.78 -0.14 0.93 -0.23 0.00 0.00 178.00 179.87 1isk h GLU 5 N 0.03 0.68 -0.16 0.86 4.39 -1.96 0.43 114.58 118.85 1isk h GLU 5 Ca -0.01 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.29 1isk h GLU 5 Cb 1.34 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1isk h GLU 5 CO 0.10 0.88 -0.33 0.45 -1.16 0.00 0.00 179.01 178.95 1isk h HIS 6 N 0.45 0.63 0.65 4.33 3.86 -1.88 -0.85 115.15 122.34 1isk h HIS 6 Ca 0.08 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1isk h HIS 6 Cb 0.67 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 1isk h HIS 6 CO 0.06 0.96 -0.40 0.52 0.86 0.00 0.00 177.93 179.93 1isk h MET 7 N 0.13 -0.95 -0.28 2.45 2.86 -1.16 0.36 114.93 118.34 1isk h MET 7 Ca 0.00 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1isk h MET 7 Cb 0.93 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1isk h MET 7 CO 0.07 -0.63 0.09 1.15 1.06 0.00 0.00 176.91 178.65 1isk h THR 8 N -0.99 0.92 -0.99 2.22 2.02 -0.99 -0.24 112.91 114.86 1isk h THR 8 Ca -0.08 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.11 1isk h THR 8 Cb 0.80 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 1isk h THR 8 CO 0.08 0.04 0.64 0.00 0.37 0.00 0.00 175.52 176.65 1isk h ALA 9 N 1.18 1.47 -0.58 6.16 0.00 -1.00 0.14 119.26 126.63 1isk h ALA 9 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1isk h ALA 9 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1isk h ALA 9 CO -0.13 0.34 0.28 0.28 0.00 0.00 0.00 179.25 180.01 1isk h VAL 10 N 1.08 1.21 -0.75 0.00 2.07 0.87 -0.56 116.25 120.18 1isk h VAL 10 Ca 0.46 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1isk h VAL 10 Cb 0.32 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1isk h VAL 10 CO -0.21 0.24 0.47 0.58 0.02 0.00 0.00 177.57 178.67 1isk h VAL 11 N 0.79 1.10 0.80 2.57 2.07 0.66 0.24 116.25 124.48 1isk h VAL 11 Ca 0.20 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1isk h VAL 11 Cb 0.12 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1isk h VAL 11 CO -0.03 0.17 -0.38 -0.61 0.02 0.00 0.00 177.57 176.74 1isk h GLN 12 N 0.91 -1.03 -0.83 1.57 -0.00 -0.53 0.23 115.11 115.43 1isk h GLN 12 Ca 0.30 0.07 0.14 0.00 -0.00 0.00 0.00 58.65 59.16 1isk h GLN 12 Cb 0.02 0.23 -0.06 0.00 0.00 0.00 0.00 27.48 27.68 1isk h GLN 12 CO -0.11 -0.68 0.54 -0.09 0.00 0.00 0.00 178.83 178.49 1isk h ARG 13 N -1.11 0.56 -0.10 1.69 9.65 -0.87 -0.94 114.38 123.26 1isk h ARG 13 Ca -0.11 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 1isk h ARG 13 Cb 0.83 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.28 1isk h ARG 13 CO 0.18 0.37 -0.02 -0.92 2.80 0.00 0.00 179.97 182.38 1isk h TYR 14 N 0.58 0.22 -0.53 2.20 3.20 -0.14 -0.69 116.97 121.79 1isk h TYR 14 Ca 0.41 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.31 1isk h TYR 14 Cb 0.75 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 1isk h TYR 14 CO -0.00 0.50 0.17 0.28 -1.64 0.00 0.00 178.16 177.47 1isk h VAL 15 N -0.13 0.78 0.71 1.81 2.07 0.65 0.29 116.25 122.43 1isk h VAL 15 Ca 0.03 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1isk h VAL 15 Cb 0.43 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1isk h VAL 15 CO 0.01 0.06 -0.34 0.00 0.02 0.00 0.00 177.57 177.32 1isk h ALA 16 N 1.38 -1.24 -1.00 1.67 0.00 -1.15 -1.00 119.26 117.92 1isk h ALA 16 Ca 0.26 -0.21 0.33 0.00 0.00 0.00 0.00 54.91 55.30 1isk h ALA 16 Cb 0.32 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 1isk h ALA 16 CO -0.29 -1.17 0.57 0.00 0.00 0.00 0.00 179.25 178.36 1isk h ALA 17 N -1.55 1.98 0.44 0.00 0.00 -0.80 0.59 119.26 119.92 1isk h ALA 17 Ca -0.10 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1isk h ALA 17 Cb 0.73 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1isk h ALA 17 CO 0.16 -0.61 -0.28 1.25 0.00 0.00 0.00 179.25 179.77 1isk h LEU 18 N 0.30 -0.71 -1.23 0.00 5.85 0.03 0.25 115.31 119.80 1isk h LEU 18 Ca 0.75 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.51 1isk h LEU 18 Cb 1.73 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1isk h LEU 18 CO -0.62 -0.44 0.00 -1.13 -0.34 0.00 0.00 178.44 175.91 1isk h ASN 19 N -0.69 0.00 0.67 1.25 -1.24 0.13 0.32 115.58 116.01 1isk h ASN 19 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1isk h ASN 19 Cb 0.57 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 1isk h ASN 19 CO 0.04 0.00 -0.66 0.00 -1.29 0.00 0.00 177.43 175.52 1isk n ALA 20 N -1.80 3.21 -1.87 1.57 0.00 0.13 -4.94 120.51 116.81 1isk n ALA 20 Ca -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1isk n ALA 20 Cb 0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 1.40 0.54 3.52 0.00 0.00 0.11 -4.92 105.19 105.84 1isk n GLY 21 Ca 0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1isk n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1isk s ASP 22 N -2.59 6.54 -0.03 1.61 3.68 -0.50 -4.81 116.67 120.57 1isk s ASP 22 Ca 0.00 -1.63 -0.25 0.00 2.13 0.00 0.00 52.55 52.80 1isk s ASP 22 Cb 0.00 -2.51 -0.19 0.00 -1.45 0.00 0.00 42.92 38.77 1isk s ASP 22 CO 0.00 -1.37 1.16 -0.07 0.13 0.00 0.00 175.17 175.03 1isk h LEU 23 N 12.00 -0.10 -0.05 -1.34 3.38 -1.91 0.29 115.31 127.59 1isk h LEU 23 Ca 0.18 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1isk h LEU 23 Cb 1.02 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1isk h LEU 23 CO 1.32 0.40 -0.29 0.44 0.09 0.00 0.00 178.44 180.40 1isk h ASP 24 N -0.62 -0.89 0.99 -0.43 5.19 -1.99 0.11 116.42 118.78 1isk h ASP 24 Ca -0.01 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1isk h ASP 24 Cb 0.51 0.37 0.01 0.00 0.18 0.00 0.00 39.33 40.40 1isk h ASP 24 CO 0.02 -0.35 -0.48 1.23 -3.12 0.00 0.00 179.24 176.54 1isk h GLY 25 N -0.41 -1.39 -0.98 2.75 0.00 -1.96 -0.77 103.07 100.30 1isk h GLY 25 Ca 0.08 0.52 0.41 0.00 0.00 0.00 0.00 47.33 48.33 1isk h GLY 25 CO -0.28 -0.51 0.72 -2.22 0.00 0.00 0.00 176.54 174.25 1isk h ILE 26 N -1.36 0.12 -0.02 2.60 2.04 -0.23 1.34 117.51 122.00 1isk h ILE 26 Ca -0.14 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1isk h ILE 26 Cb 1.02 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1isk h ILE 26 CO 0.22 0.02 -0.01 0.58 0.00 0.00 0.00 178.15 178.96 1isk h VAL 27 N 0.11 1.33 0.00 1.67 2.07 -0.28 -2.32 116.25 118.82 1isk h VAL 27 Ca 0.81 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1isk h VAL 27 Cb 2.33 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1isk h VAL 27 CO -0.54 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.31 1isk n ALA 28 N -2.31 1.21 -0.11 1.67 0.00 0.41 -1.59 120.51 119.79 1isk n ALA 28 Ca -0.08 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1isk n ALA 28 Cb 0.23 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 0.00 0.49 0.00 0.00 6.46 0.44 -3.45 115.31 119.25 1isk h LEU 29 Ca 0.00 -0.21 -0.43 0.00 -0.12 0.00 0.00 57.88 57.12 1isk h LEU 29 Cb 0.10 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 1isk h LEU 29 CO 0.00 0.58 -0.27 2.22 -0.62 0.00 0.00 178.44 180.35 1isk n PHE 30 N -4.65 0.06 -0.80 1.25 1.16 -0.62 -4.87 117.46 108.99 1isk n PHE 30 Ca -0.02 -1.65 -0.34 0.00 -1.87 0.00 0.00 57.45 53.58 1isk n PHE 30 Cb 0.18 -0.26 0.11 0.00 -1.61 0.00 0.00 39.48 37.89 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 -2.04 -4.47 0.34 1.98 0.00 -0.60 -4.90 120.51 110.82 1isk n ALA 31 Ca -0.13 -1.30 0.11 0.00 0.00 0.00 0.00 53.44 52.11 1isk n ALA 31 Cb 0.43 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 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 0.66 0.39 -0.25 0.00 2.03 -1.26 -4.10 116.55 114.01 1isk n ASP 32 Ca -0.00 -0.28 0.03 0.00 0.52 0.00 0.00 54.79 55.06 1isk n ASP 32 Cb 0.65 1.50 0.08 0.00 -0.72 0.00 0.00 41.12 42.64 1isk n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1isk n ASP 33 N -2.04 2.44 -4.42 1.67 -0.08 -1.26 -0.47 116.55 112.40 1isk n ASP 33 Ca -0.01 -2.22 -0.33 0.00 -1.51 0.00 0.00 54.79 50.72 1isk n ASP 33 Cb 0.49 -0.16 0.13 0.00 2.34 0.00 0.00 41.12 43.91 1isk n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1isk n ALA 34 N -0.34 -2.61 -3.99 -1.67 0.00 -1.26 -3.51 120.51 107.12 1isk n ALA 34 Ca 0.07 -0.65 -0.31 0.00 0.00 0.00 0.00 53.44 52.55 1isk n ALA 34 Cb 0.40 -1.80 -0.15 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.40 1.85 0.02 0.00 -4.23 0.85 -1.19 115.64 110.55 1isk s THR 35 Ca 0.57 -1.58 -0.19 0.00 -1.18 0.00 0.00 61.69 59.32 1isk s THR 35 Cb -0.21 -2.12 -0.06 0.00 1.34 0.00 0.00 72.50 71.46 1isk s THR 35 CO 0.67 -0.19 0.54 -0.69 -0.54 0.00 0.00 174.62 174.41 1isk s VAL 36 N 1.22 4.87 -0.55 2.29 1.01 -0.16 -0.64 120.40 128.43 1isk s VAL 36 Ca -0.03 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1isk s VAL 36 Cb -0.19 -3.87 0.32 0.00 0.00 0.00 0.00 36.38 32.64 1isk s VAL 36 CO -0.07 0.50 0.85 1.21 0.00 0.00 0.00 175.10 177.59 1isk n GLU 37 N 2.18 2.61 -3.85 2.72 2.13 0.21 0.01 120.64 126.65 1isk n GLU 37 Ca -0.10 -4.51 -0.16 0.00 0.66 0.00 0.00 57.16 53.06 1isk n GLU 37 Cb 0.51 -2.11 -0.16 0.00 0.27 0.00 0.00 31.44 29.96 1isk n GLU 37 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1isk s ASP 38 N -2.98 0.23 0.00 4.31 3.84 -1.26 -1.47 116.67 119.34 1isk s ASP 38 Ca 0.45 0.01 0.00 0.00 -0.00 0.00 0.00 52.55 53.01 1isk s ASP 38 Cb 0.26 -0.14 0.00 0.00 -1.38 0.00 0.00 42.92 41.66 1isk s ASP 38 CO -0.10 -0.11 0.00 -0.81 -0.00 0.00 0.00 175.17 174.15 1isk n PRO 39 N 4.11 3.35 -2.35 2.11 -0.04 -1.26 -4.90 135.00 136.02 1isk n PRO 39 Ca -0.27 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.01 1isk n PRO 39 Cb 0.51 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.05 1isk n PRO 39 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1isk n VAL 40 N 0.00 0.00 0.00 0.52 0.31 -1.26 -4.71 118.33 113.19 1isk n VAL 40 Ca 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 64.34 62.94 1isk n VAL 40 Cb 0.00 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1isk n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1isk n GLY 41 N -1.19 1.29 0.77 2.92 0.00 -1.26 -5.02 105.19 102.70 1isk n GLY 41 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.60 -2.35 1.61 3.41 -1.26 -5.01 113.62 105.42 1isk n SER 42 Ca 0.00 0.45 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 1isk n SER 42 Cb 0.00 -2.42 0.00 0.00 -0.26 0.00 0.00 64.21 61.53 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 -3.16 -0.80 -0.06 4.33 4.07 -1.26 -5.05 120.64 118.71 1isk n GLU 43 Ca -0.01 1.09 -0.01 0.00 -0.06 0.00 0.00 57.16 58.17 1isk n GLU 43 Cb 0.36 -3.85 0.01 0.00 -0.06 0.00 0.00 31.44 27.90 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 -1.30 -0.57 -3.87 5.31 -0.04 -1.26 -4.99 135.00 128.29 1isk n PRO 44 Ca 0.01 -0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 1isk n PRO 44 Cb 0.47 -0.06 -0.16 0.00 -0.04 0.00 0.00 33.50 33.71 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 -3.11 1.26 -0.24 0.54 1.81 0.10 -4.95 118.95 114.36 1isk s ARG 45 Ca 0.03 -0.88 -0.08 0.00 -1.72 0.00 0.00 55.73 53.08 1isk s ARG 45 Cb -0.00 -2.42 -0.03 0.00 -0.45 0.00 0.00 34.95 32.04 1isk s ARG 45 CO 0.02 -0.67 0.09 -1.54 -0.68 0.00 0.00 175.30 172.52 1isk s SER 46 N 1.52 5.38 0.00 0.23 1.04 -1.26 -0.99 113.70 119.63 1isk s SER 46 Ca -0.02 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1isk s SER 46 Cb -0.18 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1isk s SER 46 CO -0.09 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1isk n GLY 47 N 4.62 2.52 0.09 7.32 0.00 -0.33 -4.65 105.19 114.75 1isk n GLY 47 Ca -0.16 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 1.05 1.27 -0.07 2.61 2.02 -1.08 -1.35 112.91 117.36 1isk h THR 48 Ca 0.00 -1.52 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1isk h THR 48 Cb 0.00 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1isk h THR 48 CO 0.00 0.36 -0.30 0.00 0.37 0.00 0.00 175.52 175.95 1isk h ALA 49 N 0.00 1.38 0.46 6.16 0.00 -1.92 -1.30 119.26 124.04 1isk h ALA 49 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1isk h ALA 49 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1isk h ALA 49 CO 0.01 0.44 -0.22 0.00 0.00 0.00 0.00 179.25 179.49 1isk h ALA 50 N 1.59 -0.87 -0.70 0.00 0.00 -1.82 0.39 119.26 117.85 1isk h ALA 50 Ca 0.02 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1isk h ALA 50 Cb 0.59 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1isk h ALA 50 CO 0.04 -0.83 0.01 0.82 0.00 0.00 0.00 179.25 179.30 1isk h ILE 51 N -0.80 0.41 -0.51 0.00 2.04 -1.21 0.67 117.51 118.11 1isk h ILE 51 Ca -0.06 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1isk h ILE 51 Cb 0.47 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1isk h ILE 51 CO 0.10 0.02 0.20 -0.09 0.00 0.00 0.00 178.15 178.38 1isk h ARG 52 N 0.12 0.74 0.12 2.37 2.43 -1.22 -0.95 114.38 117.99 1isk h ARG 52 Ca 0.38 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1isk h ARG 52 Cb 0.64 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1isk h ARG 52 CO -0.60 0.62 -0.11 1.49 -1.51 0.00 0.00 179.97 179.85 1isk h GLU 53 N 0.73 -0.25 0.61 0.20 4.81 0.48 0.23 114.58 121.39 1isk h GLU 53 Ca 0.18 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1isk h GLU 53 Cb 0.16 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1isk h GLU 53 CO -0.02 -0.16 -0.29 0.74 -0.73 0.00 0.00 179.01 178.55 1isk h PHE 54 N -0.26 -0.76 -0.82 0.92 -1.00 -0.83 0.76 116.94 114.95 1isk h PHE 54 Ca 0.00 -0.02 0.24 0.00 2.81 0.00 0.00 57.97 61.00 1isk h PHE 54 Cb 0.24 0.25 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 1isk h PHE 54 CO -0.12 -0.47 0.71 1.88 -1.61 0.00 0.00 178.31 178.70 1isk h TYR 55 N -0.92 0.00 0.26 -0.55 -1.99 -1.20 -0.46 116.97 112.10 1isk h TYR 55 Ca -0.08 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 1isk h TYR 55 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 1isk h TYR 55 CO 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 178.16 178.10 1isk h ALA 56 N 1.36 -0.35 -1.01 3.88 0.00 -0.25 -0.74 119.26 122.15 1isk h ALA 56 Ca 0.39 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.56 1isk h ALA 56 Cb 1.80 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.57 1isk h ALA 56 CO -0.00 -0.32 0.58 -0.91 0.00 0.00 0.00 179.25 178.59 1isk h ASN 57 N -1.09 0.47 0.13 0.00 2.35 0.68 0.48 115.58 118.60 1isk h ASN 57 Ca -0.04 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1isk h ASN 57 Cb 0.29 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1isk h ASN 57 CO 0.06 -0.19 -0.06 0.77 -1.65 0.00 0.00 177.43 176.36 1isk h SER 58 N 0.26 -0.15 0.00 5.81 4.64 -1.24 -2.79 113.55 120.08 1isk h SER 58 Ca 0.76 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1isk h SER 58 Cb 1.81 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1isk h SER 58 CO -0.62 0.35 0.27 -0.07 -0.87 0.00 0.00 176.83 175.89 1isk h LEU 59 N -0.69 0.00 -1.85 5.97 3.38 0.13 -1.48 115.31 120.76 1isk h LEU 59 Ca -0.02 0.00 0.51 0.00 0.09 0.00 0.00 57.88 58.47 1isk h LEU 59 Cb 0.52 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1isk h LEU 59 CO 0.03 0.00 1.36 0.50 0.09 0.00 0.00 178.44 180.41 1isk h LYS 60 N 0.00 0.00 -5.88 1.13 1.63 0.01 -3.35 116.57 110.11 1isk h LYS 60 Ca 0.00 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 59.12 1isk h LYS 60 Cb 0.54 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.04 1isk h LYS 60 CO 0.00 0.00 -0.59 -1.17 -3.45 0.00 0.00 179.45 174.24 1isk s LEU 61 N -7.67 3.75 -0.68 5.20 2.96 -0.56 -4.99 118.68 116.68 1isk s LEU 61 Ca -0.05 0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1isk s LEU 61 Cb 0.25 -1.87 -0.13 0.00 0.50 0.00 0.00 46.19 44.94 1isk s LEU 61 CO 0.82 0.38 2.64 -0.81 -1.32 0.00 0.00 176.35 178.06 1isk n PRO 62 N 2.16 2.22 -1.70 0.98 -0.04 -1.26 -4.89 135.00 132.48 1isk n PRO 62 Ca -0.19 -1.32 -0.29 0.00 -0.04 0.00 0.00 63.50 61.65 1isk n PRO 62 Cb 0.54 -2.28 0.17 0.00 -0.04 0.00 0.00 33.50 31.88 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 0.07 2.19 -0.14 1.53 0.05 -1.26 -4.50 118.68 116.62 1isk s LEU 63 Ca 0.51 0.57 -0.04 0.00 0.05 0.00 0.00 54.13 55.23 1isk s LEU 63 Cb 0.18 -2.70 0.06 0.00 -2.05 0.00 0.00 46.19 41.68 1isk s LEU 63 CO -0.03 -2.78 0.13 0.00 -0.55 0.00 0.00 176.35 173.12 1isk s ALA 64 N -3.55 0.15 0.28 1.48 0.00 0.14 -4.93 121.76 115.31 1isk s ALA 64 Ca 0.69 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.52 1isk s ALA 64 Cb -0.08 -1.00 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 1isk s ALA 64 CO 0.53 -0.98 0.70 0.08 0.00 0.00 0.00 175.76 176.09 1isk s VAL 65 N 2.21 4.68 -0.30 0.00 1.01 -1.26 -0.88 120.40 125.87 1isk s VAL 65 Ca 0.04 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 1isk s VAL 65 Cb -0.15 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.68 1isk s VAL 65 CO -0.08 -0.05 0.74 -1.83 0.00 0.00 0.00 175.10 173.88 1isk s GLU 66 N -2.64 0.55 0.44 2.72 -1.05 -0.47 -4.88 118.70 113.37 1isk s GLU 66 Ca 0.50 1.24 -0.25 0.00 -0.15 0.00 0.00 54.97 56.30 1isk s GLU 66 Cb -0.12 0.60 -0.09 0.00 -0.44 0.00 0.00 34.13 34.08 1isk s GLU 66 CO 0.19 -0.17 1.40 1.28 0.95 0.00 0.00 175.26 178.91 1isk n LEU 67 N 5.02 4.87 -0.23 1.83 7.99 -1.26 -0.02 117.00 135.20 1isk n LEU 67 Ca -0.14 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.98 1isk n LEU 67 Cb 0.52 -1.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.25 1isk n LEU 67 CO -0.03 -0.26 0.23 1.07 -1.51 0.00 0.00 177.39 176.89 1isk n THR 68 N -0.20 0.00 0.00 -5.08 5.66 -1.25 -4.73 114.28 108.68 1isk n THR 68 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1isk n THR 68 Cb 0.41 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 1isk n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1isk n GLN 69 N 0.00 0.00 0.00 1.09 3.00 -1.18 -4.99 117.38 115.31 1isk n GLN 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1isk n GLN 69 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 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 -2.78 -4.89 -1.09 1.02 -1.22 -5.00 120.64 106.67 1isk n GLU 70 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1isk n GLU 70 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1isk n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1isk s VAL 71 N -2.00 1.84 -0.32 2.62 1.01 -1.26 -1.42 120.40 120.87 1isk s VAL 71 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1isk s VAL 71 Cb 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.83 1isk s VAL 71 CO 0.00 0.51 0.03 -0.13 0.00 0.00 0.00 175.10 175.51 1isk s ARG 72 N 0.59 2.25 -0.06 2.72 0.52 -0.38 -4.95 118.95 119.65 1isk s ARG 72 Ca -0.14 -1.43 -0.14 0.00 -0.52 0.00 0.00 55.73 53.51 1isk s ARG 72 Cb -0.17 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 1isk s ARG 72 CO 0.04 -0.72 0.36 0.00 0.02 0.00 0.00 175.30 174.99 1isk s ALA 73 N 1.19 3.67 0.00 2.13 0.00 -1.26 -1.10 121.76 126.39 1isk s ALA 73 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1isk s ALA 73 Cb -0.20 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1isk s ALA 73 CO -0.03 0.36 0.00 0.28 0.00 0.00 0.00 175.76 176.38 1isk n VAL 74 N 2.42 0.00 -1.52 0.00 0.31 0.14 -4.94 118.33 114.73 1isk n VAL 74 Ca -0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.89 1isk n VAL 74 Cb 0.52 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.62 -2.53 3.52 0.00 -1.26 -1.37 120.51 116.49 1isk n ALA 75 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 53.44 52.64 1isk n ALA 75 Cb 0.00 -2.72 -0.00 0.00 0.00 0.00 0.00 19.45 16.73 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 12.14 -1.00 -4.39 0.00 4.13 -1.26 -4.84 115.26 120.04 1isk n ASN 76 Ca 0.56 0.39 -0.20 0.00 1.68 0.00 0.00 54.58 57.00 1isk n ASN 76 Cb 0.26 -0.99 -0.10 0.00 -1.54 0.00 0.00 39.78 37.40 1isk n ASN 76 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1isk s GLU 77 N -4.92 1.44 -0.24 3.52 2.02 -0.47 -0.32 118.70 119.73 1isk s GLU 77 Ca 0.04 -1.66 -0.03 0.00 0.02 0.00 0.00 54.97 53.34 1isk s GLU 77 Cb -0.03 -1.27 0.13 0.00 0.10 0.00 0.00 34.13 33.06 1isk s GLU 77 CO 0.05 0.19 0.38 0.00 0.02 0.00 0.00 175.26 175.91 1isk s ALA 78 N -2.87 -1.08 -0.19 5.21 0.00 0.11 0.25 121.76 123.18 1isk s ALA 78 Ca 0.25 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1isk s ALA 78 Cb -0.01 -1.63 0.04 0.00 0.00 0.00 0.00 23.12 21.52 1isk s ALA 78 CO 0.09 -1.21 -0.08 0.00 0.00 0.00 0.00 175.76 174.56 1isk s ALA 79 N 2.55 1.84 0.26 0.00 0.00 -0.26 -1.26 121.76 124.89 1isk s ALA 79 Ca 0.11 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.03 1isk s ALA 79 Cb -0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1isk s ALA 79 CO -0.15 -0.85 -0.08 -0.59 0.00 0.00 0.00 175.76 174.09 1isk s PHE 80 N 1.47 1.87 -0.09 0.00 -0.71 0.70 -1.25 117.98 119.97 1isk s PHE 80 Ca -0.01 -0.67 0.04 0.00 -1.04 0.00 0.00 56.93 55.25 1isk s PHE 80 Cb -0.16 -1.01 -0.01 0.00 -1.21 0.00 0.00 43.02 40.63 1isk s PHE 80 CO -0.08 0.30 -0.22 0.00 -1.34 0.00 0.00 175.22 173.88 1isk s ALA 81 N -3.01 2.27 0.25 1.99 0.00 -0.51 -0.09 121.76 122.67 1isk s ALA 81 Ca 0.28 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1isk s ALA 81 Cb 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1isk s ALA 81 CO 0.10 0.32 0.19 -0.59 0.00 0.00 0.00 175.76 175.79 1isk s PHE 82 N 0.18 1.39 0.38 0.00 -0.71 -0.66 -3.09 117.98 115.47 1isk s PHE 82 Ca -0.12 -1.49 0.08 0.00 -1.04 0.00 0.00 56.93 54.35 1isk s PHE 82 Cb -0.16 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.00 1isk s PHE 82 CO 0.07 -0.73 0.27 0.99 -1.34 0.00 0.00 175.22 174.48 1isk s THR 83 N -3.88 2.89 -0.19 -4.49 2.01 0.97 -1.98 115.64 110.98 1isk s THR 83 Ca 0.40 -1.48 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 1isk s THR 83 Cb 0.05 -3.04 0.06 0.00 0.01 0.00 0.00 72.50 69.58 1isk s THR 83 CO 0.18 -0.08 0.46 0.68 -0.69 0.00 0.00 174.62 175.17 1isk s VAL 84 N -2.44 -0.01 -0.25 3.82 -7.23 0.27 -1.37 120.40 113.18 1isk s VAL 84 Ca 0.43 0.05 -0.05 0.00 -1.81 0.00 0.00 61.98 60.60 1isk s VAL 84 Cb -0.03 -0.67 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 1isk s VAL 84 CO 0.26 0.02 0.01 -0.55 -0.31 0.00 0.00 175.10 174.53 1isk s SER 85 N 1.09 4.69 -0.52 4.85 0.15 -0.06 0.43 113.70 124.33 1isk s SER 85 Ca -0.07 -0.44 -0.09 0.00 0.70 0.00 0.00 55.95 56.06 1isk s SER 85 Cb -0.06 -1.81 0.13 0.00 -1.71 0.00 0.00 66.02 62.57 1isk s SER 85 CO -0.10 -0.07 0.40 -0.36 1.20 0.00 0.00 173.24 174.31 1isk s PHE 86 N 1.51 3.46 -0.55 3.44 0.08 0.08 -0.69 117.98 125.31 1isk s PHE 86 Ca 0.05 -2.00 -0.21 0.00 0.12 0.00 0.00 56.93 54.88 1isk s PHE 86 Cb -0.15 -3.49 0.06 0.00 -0.57 0.00 0.00 43.02 38.87 1isk s PHE 86 CO -0.00 -0.98 0.78 -2.00 -0.10 0.00 0.00 175.22 172.93 1isk s GLU 87 N 1.06 3.18 0.50 0.44 2.12 -1.26 -1.40 118.70 123.34 1isk s GLU 87 Ca 0.08 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1isk s GLU 87 Cb -0.24 -4.12 0.10 0.00 0.26 0.00 0.00 34.13 30.13 1isk s GLU 87 CO -0.02 -1.43 0.69 0.66 -0.54 0.00 0.00 175.26 174.62 1isk n TYR 88 N 6.83 -3.06 -0.66 5.30 4.01 0.15 -4.61 117.16 125.12 1isk n TYR 88 Ca -0.04 -1.23 -0.36 0.00 -0.16 0.00 0.00 57.90 56.11 1isk n TYR 88 Cb 0.46 -0.50 -0.07 0.00 -0.31 0.00 0.00 39.34 38.91 1isk n TYR 88 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1isk n GLN 89 N -2.27 0.67 0.00 -0.72 7.27 -1.26 -1.53 117.38 119.53 1isk n GLN 89 Ca 0.11 -1.24 0.00 0.00 0.07 0.00 0.00 57.00 55.95 1isk n GLN 89 Cb 0.41 -2.56 0.00 0.00 2.41 0.00 0.00 30.24 30.50 1isk n GLN 89 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1isk n GLY 90 N 4.59 1.32 3.26 1.69 0.00 -1.26 -5.11 105.19 109.68 1isk n GLY 90 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.22 1.08 -0.31 1.61 3.00 -0.59 -4.88 118.95 118.64 1isk s ARG 91 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 55.73 54.43 1isk s ARG 91 Cb 0.00 -0.88 0.17 0.00 0.00 0.00 0.00 34.95 34.24 1isk s ARG 91 CO 0.00 0.15 0.47 0.21 0.00 0.00 0.00 175.30 176.13 1isk s LYS 92 N -3.05 0.52 0.28 3.54 2.20 0.20 0.31 119.74 123.74 1isk s LYS 92 Ca 0.13 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.86 1isk s LYS 92 Cb -0.03 -0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.07 1isk s LYS 92 CO 0.03 -1.08 0.29 0.99 -0.36 0.00 0.00 175.35 175.23 1isk s THR 93 N 2.40 4.33 -0.37 3.43 2.01 -0.50 -0.87 115.64 126.06 1isk s THR 93 Ca 0.11 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.86 1isk s THR 93 Cb -0.11 -3.44 0.14 0.00 0.01 0.00 0.00 72.50 69.10 1isk s THR 93 CO -0.24 -0.27 0.23 -0.69 -0.69 0.00 0.00 174.62 172.96 1isk s VAL 94 N -2.15 0.39 0.48 3.82 1.01 0.11 -0.74 120.40 123.32 1isk s VAL 94 Ca 0.37 -1.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.33 1isk s VAL 94 Cb -0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1isk s VAL 94 CO 0.27 -1.00 0.80 -0.69 0.00 0.00 0.00 175.10 174.48 1isk s VAL 95 N 0.84 4.88 -0.57 2.92 1.01 0.17 -0.04 120.40 129.61 1isk s VAL 95 Ca 0.19 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1isk s VAL 95 Cb -0.21 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.51 1isk s VAL 95 CO -0.01 -0.82 0.48 0.00 0.00 0.00 0.00 175.10 174.75 1isk n ALA 96 N -2.16 3.23 -1.54 5.51 0.00 0.96 0.93 120.51 127.44 1isk n ALA 96 Ca 0.01 -3.98 -0.29 0.00 0.00 0.00 0.00 53.44 49.18 1isk n ALA 96 Cb 0.55 -0.90 0.11 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 -1.08 1.69 -0.11 0.00 0.04 -0.84 -4.78 135.00 129.92 1isk s PRO 97 Ca 0.31 0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1isk s PRO 97 Cb 0.03 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1isk s PRO 97 CO -0.15 -1.86 -0.06 0.42 0.04 0.00 0.00 177.00 175.39 1isk s ILE 98 N -3.20 0.93 0.14 0.56 1.01 0.78 -1.66 121.20 119.76 1isk s ILE 98 Ca 0.62 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 1isk s ILE 98 Cb -0.15 -0.99 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 1isk s ILE 98 CO 0.54 0.33 0.60 -0.62 0.00 0.00 0.00 174.94 175.78 1isk s ASP 99 N 1.74 6.95 -0.29 3.58 -1.08 0.87 -0.63 116.67 127.82 1isk s ASP 99 Ca 0.05 1.21 0.03 0.00 -0.52 0.00 0.00 52.55 53.31 1isk s ASP 99 Cb -0.13 -2.34 0.17 0.00 -1.46 0.00 0.00 42.92 39.16 1isk s ASP 99 CO -0.08 0.13 0.46 -2.28 0.52 0.00 0.00 175.17 173.92 1isk s HIS 100 N -1.38 -1.22 0.43 -5.34 5.65 0.64 -0.21 115.29 113.86 1isk s HIS 100 Ca 0.37 0.57 0.03 0.00 0.25 0.00 0.00 55.06 56.27 1isk s HIS 100 Cb -0.17 -0.02 -0.02 0.00 -1.18 0.00 0.00 32.58 31.19 1isk s HIS 100 CO 0.20 -1.00 0.09 -0.59 -0.65 0.00 0.00 174.74 172.79 1isk s PHE 101 N 2.62 1.83 0.49 3.88 -0.12 -0.39 -0.84 117.98 125.45 1isk s PHE 101 Ca 0.10 -1.17 0.02 0.00 -0.05 0.00 0.00 56.93 55.83 1isk s PHE 101 Cb -0.12 -1.29 -0.01 0.00 -0.63 0.00 0.00 43.02 40.97 1isk s PHE 101 CO -0.28 -0.14 0.04 1.03 -0.05 0.00 0.00 175.22 175.82 1isk s ARG 102 N -3.76 2.14 -0.06 1.99 0.52 0.28 -0.72 118.95 119.34 1isk s ARG 102 Ca 0.20 -2.36 0.01 0.00 -0.52 0.00 0.00 55.73 53.06 1isk s ARG 102 Cb 0.03 -1.25 0.02 0.00 0.52 0.00 0.00 34.95 34.27 1isk s ARG 102 CO 0.12 -0.42 -0.05 0.12 0.02 0.00 0.00 175.30 175.09 1isk s PHE 103 N -2.98 0.92 -0.44 -0.53 2.19 0.56 -3.72 117.98 113.99 1isk s PHE 103 Ca 0.09 -0.30 -0.25 0.00 0.33 0.00 0.00 56.93 56.80 1isk s PHE 103 Cb 0.01 -0.80 0.02 0.00 -1.31 0.00 0.00 43.02 40.95 1isk s PHE 103 CO 0.06 -0.25 0.91 1.21 1.83 0.00 0.00 175.22 178.98 1isk s ASN 104 N 1.08 6.53 0.46 6.13 2.47 -0.43 -4.88 114.94 126.29 1isk s ASN 104 Ca -0.08 0.20 0.40 0.00 0.42 0.00 0.00 52.86 53.80 1isk s ASN 104 Cb -0.14 -2.45 1.47 0.00 -1.45 0.00 0.00 41.25 38.68 1isk s ASN 104 CO -0.01 -1.00 1.39 0.61 -3.72 0.00 0.00 177.10 174.37 1isk n GLY 105 N 4.82 -0.84 2.45 1.21 0.00 -1.26 -1.37 105.19 110.20 1isk n GLY 105 Ca 0.06 0.64 -0.28 0.00 0.00 0.00 0.00 46.02 46.44 1isk n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isk s ALA 106 N -4.78 1.44 0.00 4.61 0.00 -1.26 -4.78 121.76 117.00 1isk s ALA 106 Ca -0.05 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1isk s ALA 106 Cb 0.25 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1isk s ALA 106 CO 0.77 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.93 1isk n GLY 107 N 3.11 0.34 1.79 0.00 0.00 -0.79 -5.13 105.19 104.51 1isk n GLY 107 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1isk n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1isk n LYS 108 N 0.00 0.00 -1.63 1.61 4.81 -0.47 -4.12 118.16 118.36 1isk n LYS 108 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 56.97 1isk n LYS 108 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1isk n LYS 108 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1isk n VAL 109 N -0.37 0.50 0.00 3.15 0.31 -1.26 -1.32 118.33 119.35 1isk n VAL 109 Ca 0.00 -0.19 -0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1isk n VAL 109 Cb 0.00 -1.98 -0.00 0.00 -0.91 0.00 0.00 33.84 30.95 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 5.90 0.02 -2.30 2.52 0.31 -1.24 -1.55 118.33 121.99 1isk n VAL 110 Ca 0.26 0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 64.24 1isk n VAL 110 Cb 0.32 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 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 -4.89 6.90 -0.01 4.52 0.01 -1.26 -0.10 113.70 118.86 1isk s SER 111 Ca -0.00 1.94 0.01 0.00 1.31 0.00 0.00 55.95 59.20 1isk s SER 111 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1isk s SER 111 CO 0.00 -0.73 -0.02 -0.04 0.41 0.00 0.00 173.24 172.86 1isk s MET 112 N 2.91 0.18 -0.01 12.44 1.00 0.18 -0.56 119.30 135.45 1isk s MET 112 Ca 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 55.69 56.25 1isk s MET 112 Cb -0.27 -0.22 0.01 0.00 0.00 0.00 0.00 34.83 34.36 1isk s MET 112 CO 0.22 0.01 0.03 0.50 0.00 0.00 0.00 175.02 175.78 1isk s ARG 113 N 0.14 -0.00 0.21 2.03 3.52 -0.02 0.68 118.95 125.51 1isk s ARG 113 Ca -0.01 0.10 0.10 0.00 -0.13 0.00 0.00 55.73 55.80 1isk s ARG 113 Cb -0.03 -0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.21 1isk s ARG 113 CO -0.00 -0.08 -0.15 0.00 -0.81 0.00 0.00 175.30 174.26 1isk s ALA 114 N 0.50 2.80 0.05 6.12 0.00 -0.54 -0.26 121.76 130.43 1isk s ALA 114 Ca -0.04 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.31 1isk s ALA 114 Cb -0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1isk s ALA 114 CO -0.01 0.39 -0.07 -0.51 0.00 0.00 0.00 175.76 175.55 1isk s LEU 115 N -3.02 2.30 -0.19 0.00 1.02 0.20 -4.19 118.68 114.80 1isk s LEU 115 Ca 0.25 -0.63 -0.28 0.00 0.02 0.00 0.00 54.13 53.49 1isk s LEU 115 Cb -0.07 -0.14 0.11 0.00 0.02 0.00 0.00 46.19 46.11 1isk s LEU 115 CO 0.14 -0.25 0.94 0.72 0.02 0.00 0.00 176.35 177.92 1isk s PHE 116 N -1.78 -0.48 0.26 0.29 -0.71 -1.26 -0.16 117.98 114.14 1isk s PHE 116 Ca -0.06 0.97 -0.15 0.00 -1.04 0.00 0.00 56.93 56.64 1isk s PHE 116 Cb -0.07 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1isk s PHE 116 CO -0.01 -0.35 0.55 0.20 -1.34 0.00 0.00 175.22 174.28 1isk s GLY 117 N -0.58 0.36 0.00 1.99 0.00 -1.26 -4.99 107.32 102.84 1isk s GLY 117 Ca -0.01 -0.72 0.24 0.00 0.00 0.00 0.00 44.72 44.22 1isk s GLY 117 CO 0.00 -0.47 1.79 1.18 0.00 0.00 0.00 173.10 175.60 1isk n GLU 118 N -0.41 0.49 0.00 2.90 1.02 -1.26 -2.56 120.64 120.81 1isk n GLU 118 Ca -0.02 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1isk n GLU 118 Cb 0.61 -1.50 0.57 0.00 -0.02 0.00 0.00 31.44 31.10 1isk n GLU 118 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1isk n LYS 119 N -1.19 0.42 -2.81 3.49 3.00 -1.26 -3.38 118.16 116.43 1isk n LYS 119 Ca 0.14 0.06 -0.10 0.00 -0.00 0.00 0.00 58.31 58.40 1isk n LYS 119 Cb 0.15 -1.50 0.06 0.00 0.00 0.00 0.00 35.03 33.74 1isk n LYS 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1isk n ASN 120 N -1.20 -0.98 -4.09 3.14 4.13 -1.06 -5.10 115.26 110.09 1isk n ASN 120 Ca 0.12 -3.08 -0.21 0.00 1.68 0.00 0.00 54.58 53.10 1isk n ASN 120 Cb 0.14 0.78 -0.14 0.00 -1.54 0.00 0.00 39.78 39.02 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 -0.84 0.99 -0.55 2.41 1.01 -1.22 -0.03 121.20 122.98 1isk s ILE 121 Ca 0.27 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1isk s ILE 121 Cb 0.36 -0.85 0.16 0.00 0.01 0.00 0.00 42.46 42.14 1isk s ILE 121 CO -0.05 0.19 0.40 -1.00 0.00 0.00 0.00 174.94 174.48 1isk s HIS 122 N -0.45 2.37 -0.18 3.97 3.76 0.95 -4.95 115.29 120.75 1isk s HIS 122 Ca 0.04 -2.82 -0.29 0.00 -0.15 0.00 0.00 55.06 51.84 1isk s HIS 122 Cb -0.06 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.75 1isk s HIS 122 CO -0.00 -0.69 1.00 0.00 -0.85 0.00 0.00 174.74 174.20 1isk s ALA 123 N -0.62 3.57 0.36 -1.40 0.00 -1.26 0.07 121.76 122.47 1isk s ALA 123 Ca 0.27 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 1isk s ALA 123 Cb -0.04 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1isk s ALA 123 CO -0.16 -0.84 0.50 0.20 0.00 0.00 0.00 175.76 175.46 1isk s GLY 124 N 1.16 1.54 0.00 0.00 0.00 -0.05 -4.96 107.32 105.01 1isk s GLY 124 Ca 0.45 -1.54 0.24 0.00 0.00 0.00 0.00 44.72 43.86 1isk s GLY 124 CO 0.11 -1.00 1.26 0.00 0.00 0.00 0.00 173.10 173.47