#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eal h PHE 2 N 0.00 0.48 -2.80 0.00 0.04 -2.00 -3.44 116.94 109.22 1eal h PHE 2 Ca 0.00 0.01 -0.59 0.00 2.80 0.00 0.00 57.97 60.20 1eal h PHE 2 Cb 0.00 -0.16 0.16 0.00 2.20 0.00 0.00 35.95 38.15 1eal h PHE 2 CO 0.00 0.28 -0.32 -2.37 -0.60 0.00 0.00 178.31 175.30 1eal n THR 3 N -4.84 2.16 0.00 -1.55 5.66 -1.26 -4.80 114.28 109.65 1eal n THR 3 Ca 0.02 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1eal n THR 3 Cb 0.06 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.13 1eal n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1eal n GLY 4 N 1.70 1.40 3.91 1.09 0.00 -0.81 -4.98 105.19 107.50 1eal n GLY 4 Ca 0.11 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 1eal n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 5 N -1.21 3.58 0.07 1.61 1.02 -1.26 -1.98 119.74 121.56 1eal s LYS 5 Ca 0.00 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1eal s LYS 5 Cb 0.00 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1eal s LYS 5 CO 0.00 0.40 0.23 0.71 -0.92 0.00 0.00 175.35 175.77 1eal s TYR 6 N -1.82 0.04 0.18 3.18 1.51 0.25 -2.11 117.35 118.58 1eal s TYR 6 Ca 0.40 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 1eal s TYR 6 Cb -0.11 0.01 -0.05 0.00 -0.11 0.00 0.00 41.96 41.70 1eal s TYR 6 CO 0.27 -0.51 -0.09 -1.21 -1.11 0.00 0.00 175.55 172.90 1eal s GLU 7 N -3.20 1.17 -0.13 -0.62 8.01 -0.03 -0.29 118.70 123.61 1eal s GLU 7 Ca -0.00 -1.53 -0.11 0.00 0.01 0.00 0.00 54.97 53.34 1eal s GLU 7 Cb 0.02 -0.71 -0.05 0.00 -4.31 0.00 0.00 34.13 29.08 1eal s GLU 7 CO -0.07 0.05 0.23 -1.50 0.01 0.00 0.00 175.26 173.98 1eal s ILE 8 N -3.29 5.35 -0.06 -1.63 2.07 -1.25 -0.89 121.20 121.51 1eal s ILE 8 Ca 0.20 0.41 -0.08 0.00 -1.41 0.00 0.00 60.65 59.78 1eal s ILE 8 Cb 0.03 -3.54 -0.04 0.00 0.13 0.00 0.00 42.46 39.04 1eal s ILE 8 CO 0.04 0.50 0.35 -0.33 -1.91 0.00 0.00 174.94 173.59 1eal h GLU 9 N 5.83 -0.27 -2.90 3.50 3.07 -1.88 -3.48 114.58 118.45 1eal h GLU 9 Ca -0.47 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 1eal h GLU 9 Cb 1.19 0.06 -0.14 0.00 -0.84 0.00 0.00 28.75 29.02 1eal h GLU 9 CO 0.68 -0.18 0.12 -1.12 -1.40 0.00 0.00 179.01 177.10 1eal s SER 10 N -4.94 -0.49 0.59 1.42 0.01 -1.26 -5.10 113.70 103.94 1eal s SER 10 Ca -0.04 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1eal s SER 10 Cb 0.00 0.54 0.05 0.00 0.21 0.00 0.00 66.02 66.83 1eal s SER 10 CO 0.12 -0.85 0.83 -1.83 0.41 0.00 0.00 173.24 171.93 1eal s GLU 11 N -3.14 2.40 -0.20 12.44 1.03 -1.26 -3.32 118.70 126.63 1eal s GLU 11 Ca -0.02 -0.77 -0.16 0.00 0.03 0.00 0.00 54.97 54.06 1eal s GLU 11 Cb -0.00 -2.43 0.06 0.00 -0.80 0.00 0.00 34.13 30.95 1eal s GLU 11 CO -0.07 -0.86 0.53 0.21 -1.33 0.00 0.00 175.26 173.73 1eal s LYS 12 N -4.86 0.58 -1.32 -4.83 2.36 -0.72 -4.92 119.74 106.03 1eal s LYS 12 Ca 0.59 0.82 -0.06 0.00 -2.55 0.00 0.00 55.97 54.77 1eal s LYS 12 Cb -0.10 0.20 0.01 0.00 -1.05 0.00 0.00 37.83 36.90 1eal s LYS 12 CO 0.40 -0.10 1.11 -1.71 1.55 0.00 0.00 175.35 176.60 1eal n ASN 13 N 3.36 -4.92 0.03 1.43 2.85 -1.26 -2.54 115.26 114.20 1eal n ASN 13 Ca -0.17 -0.58 -0.21 0.00 -0.11 0.00 0.00 54.58 53.52 1eal n ASN 13 Cb 0.56 -5.00 -0.14 0.00 1.24 0.00 0.00 39.78 36.44 1eal n ASN 13 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 1eal h TYR 14 N -2.43 0.51 -0.38 1.20 -0.00 -1.89 -3.33 116.97 110.65 1eal h TYR 14 Ca -0.58 -0.37 -0.01 0.00 0.00 0.00 0.00 58.73 57.77 1eal h TYR 14 Cb 1.36 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 38.05 1eal h TYR 14 CO 0.48 1.43 0.20 0.38 -0.00 0.00 0.00 178.16 180.65 1eal h ASP 15 N -0.34 0.49 0.60 0.10 2.03 -1.93 0.16 116.42 117.53 1eal h ASP 15 Ca -0.22 -0.11 -0.12 0.00 -0.73 0.00 0.00 57.03 55.85 1eal h ASP 15 Cb 1.71 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 40.06 1eal h ASP 15 CO 0.11 0.46 -0.59 -0.08 -1.03 0.00 0.00 179.24 178.11 1eal h GLU 16 N 0.48 0.00 -0.03 4.15 4.57 -1.94 0.45 114.58 122.27 1eal h GLU 16 Ca 0.13 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1eal h GLU 16 Cb 0.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1eal h GLU 16 CO -0.02 0.59 -0.03 0.35 -1.18 0.00 0.00 179.01 178.72 1eal h PHE 17 N 0.00 0.09 0.00 0.92 3.04 -1.56 -2.55 116.94 116.88 1eal h PHE 17 Ca -0.01 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 1eal h PHE 17 Cb 1.05 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.54 1eal h PHE 17 CO 0.00 0.54 -0.14 0.52 -2.02 0.00 0.00 178.31 177.21 1eal h MET 18 N -0.39 0.00 -0.02 1.11 2.86 -0.51 -1.27 114.93 116.72 1eal h MET 18 Ca 0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1eal h MET 18 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1eal h MET 18 CO 0.01 0.14 -0.05 -0.22 1.06 0.00 0.00 176.91 177.86 1eal h LYS 19 N 0.00 -0.07 -0.67 1.72 3.11 0.11 -0.10 116.57 120.67 1eal h LYS 19 Ca -0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1eal h LYS 19 Cb 0.30 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 1eal h LYS 19 CO 0.02 -0.05 0.35 0.00 -2.81 0.00 0.00 179.45 176.96 1eal h ARG 20 N -0.07 0.93 -0.96 1.90 3.08 -0.86 0.18 114.38 118.58 1eal h ARG 20 Ca 0.03 -0.10 0.14 0.00 0.07 0.00 0.00 59.98 60.12 1eal h ARG 20 Cb 0.11 -0.18 -0.09 0.00 0.08 0.00 0.00 29.97 29.88 1eal h ARG 20 CO -0.06 0.69 0.57 -0.07 -1.07 0.00 0.00 179.97 180.03 1eal h LEU 21 N 0.93 0.79 -1.19 3.04 3.38 -0.48 -3.47 115.31 118.32 1eal h LEU 21 Ca 0.24 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1eal h LEU 21 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1eal h LEU 21 CO -0.04 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1eal n ALA 22 N -2.36 -0.20 -2.76 1.53 0.00 0.63 -5.10 120.51 112.26 1eal n ALA 22 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 1eal n ALA 22 Cb 0.43 -0.20 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1eal n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1eal s LEU 23 N -1.19 4.36 0.00 0.00 1.43 -1.20 -5.07 118.68 117.02 1eal s LEU 23 Ca 0.00 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1eal s LEU 23 Cb 0.00 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1eal s LEU 23 CO 0.00 0.23 0.65 -0.81 0.23 0.00 0.00 176.35 176.65 1eal n PRO 24 N 1.01 0.00 0.22 1.29 -0.04 -1.26 -4.70 135.00 131.52 1eal n PRO 24 Ca -0.10 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1eal n PRO 24 Cb 0.53 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1eal n PRO 24 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1eal n SER 25 N -1.04 -3.88 -0.34 3.54 2.88 -1.26 -4.76 113.62 108.75 1eal n SER 25 Ca 0.00 0.87 0.03 0.00 -1.33 0.00 0.00 58.87 58.44 1eal n SER 25 Cb 0.00 3.64 0.20 0.00 -0.75 0.00 0.00 64.21 67.30 1eal n SER 25 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1eal h ASP 26 N 0.00 0.99 -0.91 -3.46 2.03 -1.98 0.10 116.42 113.19 1eal h ASP 26 Ca 0.00 0.01 0.04 0.00 -0.73 0.00 0.00 57.03 56.35 1eal h ASP 26 Cb 0.00 -0.20 -0.06 0.00 -0.83 0.00 0.00 39.33 38.24 1eal h ASP 26 CO 0.00 0.63 0.58 0.00 -1.03 0.00 0.00 179.24 179.43 1eal h ALA 27 N 1.48 1.21 0.04 4.15 0.00 -1.92 0.98 119.26 125.19 1eal h ALA 27 Ca 0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1eal h ALA 27 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1eal h ALA 27 CO -0.16 0.42 -0.02 0.82 0.00 0.00 0.00 179.25 180.31 1eal h ILE 28 N 1.12 1.07 -0.77 0.00 1.08 -1.47 -3.23 117.51 115.31 1eal h ILE 28 Ca 0.37 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1eal h ILE 28 Cb 0.04 1.29 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 1eal h ILE 28 CO -0.13 0.09 0.50 -0.78 -0.69 0.00 0.00 178.15 177.14 1eal h ASP 29 N -0.20 0.85 -0.23 1.72 3.58 0.04 -2.19 116.42 119.99 1eal h ASP 29 Ca -0.01 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.49 1eal h ASP 29 Cb 0.18 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1eal h ASP 29 CO 0.01 0.60 0.16 0.07 -2.88 0.00 0.00 179.24 177.20 1eal h LYS 30 N 1.00 0.05 -0.32 0.28 2.10 -0.86 0.25 116.57 119.08 1eal h LYS 30 Ca 0.30 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1eal h LYS 30 Cb -0.06 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 1eal h LYS 30 CO -0.09 0.04 0.21 0.00 -2.00 0.00 0.00 179.45 177.61 1eal h ALA 31 N 1.88 1.76 -2.83 0.07 0.00 -1.47 -3.40 119.26 115.28 1eal h ALA 31 Ca 0.10 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.42 1eal h ALA 31 Cb 0.35 -0.13 0.17 0.00 0.00 0.00 0.00 17.79 18.18 1eal h ALA 31 CO -0.01 0.22 0.13 -2.13 0.00 0.00 0.00 179.25 177.46 1eal n ARG 32 N -4.48 0.81 -3.22 0.00 3.00 0.89 -2.68 116.66 110.97 1eal n ARG 32 Ca 0.02 0.32 -0.21 0.00 -0.00 0.00 0.00 57.85 57.98 1eal n ARG 32 Cb 0.07 -2.19 -0.00 0.00 0.00 0.00 0.00 32.46 30.33 1eal n ARG 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1eal n ASN 33 N -1.04 -3.73 -4.76 6.15 6.94 -1.26 -4.94 115.26 112.62 1eal n ASN 33 Ca 0.14 -0.29 -0.31 0.00 -0.02 0.00 0.00 54.58 54.10 1eal n ASN 33 Cb 0.48 -3.10 0.10 0.00 -2.36 0.00 0.00 39.78 34.90 1eal n ASN 33 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 1eal s LEU 34 N -6.35 2.86 -0.53 -4.53 2.34 -1.09 -5.01 118.68 106.37 1eal s LEU 34 Ca 0.34 1.72 0.07 0.00 0.06 0.00 0.00 54.13 56.32 1eal s LEU 34 Cb -0.18 -4.37 0.32 0.00 -0.56 0.00 0.00 46.19 41.40 1eal s LEU 34 CO 0.42 -2.13 0.83 0.29 -1.06 0.00 0.00 176.35 174.69 1eal n LYS 35 N -3.58 2.39 -2.37 1.48 4.01 -1.26 -5.03 118.16 113.79 1eal n LYS 35 Ca 0.08 -4.36 -0.40 0.00 -0.51 0.00 0.00 58.31 53.13 1eal n LYS 35 Cb 0.54 -2.04 -0.03 0.00 -0.51 0.00 0.00 35.03 32.98 1eal n LYS 35 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1eal s ILE 36 N -3.36 3.29 -0.10 -0.18 1.01 -1.26 -4.50 121.20 116.10 1eal s ILE 36 Ca 0.44 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.34 1eal s ILE 36 Cb 0.26 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1eal s ILE 36 CO -0.10 0.25 -0.15 -0.63 0.00 0.00 0.00 174.94 174.31 1eal s ILE 37 N -1.24 2.96 -0.38 2.92 1.01 -1.25 -3.89 121.20 121.33 1eal s ILE 37 Ca 0.48 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1eal s ILE 37 Cb -0.33 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1eal s ILE 37 CO 0.42 0.55 0.26 -0.94 0.00 0.00 0.00 174.94 175.23 1eal s SER 38 N -0.04 5.96 -0.02 3.58 1.04 0.61 -0.67 113.70 124.15 1eal s SER 38 Ca -0.04 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 55.61 1eal s SER 38 Cb -0.14 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1eal s SER 38 CO 0.04 -0.39 -0.22 -0.70 0.98 0.00 0.00 173.24 172.95 1eal s GLU 39 N 1.64 1.87 0.02 4.02 2.12 -0.83 0.87 118.70 128.42 1eal s GLU 39 Ca 0.04 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.53 1eal s GLU 39 Cb -0.19 -1.76 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 1eal s GLU 39 CO 0.09 0.45 0.10 0.14 -0.54 0.00 0.00 175.26 175.50 1eal s VAL 40 N -0.44 0.11 0.07 3.70 -7.23 -0.84 -1.62 120.40 114.15 1eal s VAL 40 Ca 0.06 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 1eal s VAL 40 Cb -0.09 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 1eal s VAL 40 CO -0.00 -0.50 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.35 1eal s LYS 41 N -1.99 1.15 -0.02 4.82 2.20 -0.89 -1.91 119.74 123.09 1eal s LYS 41 Ca -0.10 -1.02 0.05 0.00 -0.36 0.00 0.00 55.97 54.55 1eal s LYS 41 Cb -0.05 -1.30 -0.01 0.00 -1.51 0.00 0.00 37.83 34.96 1eal s LYS 41 CO -0.02 0.31 -0.18 -1.14 -0.36 0.00 0.00 175.35 173.97 1eal s GLN 42 N -1.56 1.47 0.00 4.03 -0.44 -1.26 -1.47 119.66 120.43 1eal s GLN 42 Ca 0.05 -0.64 0.00 0.00 -2.50 0.00 0.00 55.36 52.28 1eal s GLN 42 Cb -0.09 -1.41 0.00 0.00 -1.64 0.00 0.00 33.01 29.87 1eal s GLN 42 CO 0.03 0.38 0.00 -3.47 0.50 0.00 0.00 175.29 172.72 1eal n ASP 43 N 2.67 0.30 -4.55 6.67 -0.08 -0.24 -4.89 116.55 116.43 1eal n ASP 43 Ca -0.15 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.84 1eal n ASP 43 Cb 0.54 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.95 1eal n ASP 43 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1eal s GLY 44 N 0.00 -0.30 -0.86 0.27 0.00 -1.26 -3.25 107.32 101.92 1eal s GLY 44 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 1eal s GLY 44 CO 0.00 3.90 0.27 0.61 0.00 0.00 0.00 173.10 177.88 1eal n GLN 45 N 8.98 -1.84 -4.23 2.90 10.64 -1.26 -4.88 117.38 127.70 1eal n GLN 45 Ca 0.36 0.06 -0.15 0.00 -1.83 0.00 0.00 57.00 55.45 1eal n GLN 45 Cb 0.50 -4.34 -0.10 0.00 -0.86 0.00 0.00 30.24 25.44 1eal n GLN 45 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1eal s ASN 46 N -2.48 1.72 -0.00 2.61 2.47 -1.20 -2.96 114.94 115.10 1eal s ASN 46 Ca 0.38 -0.94 0.00 0.00 0.42 0.00 0.00 52.86 52.73 1eal s ASN 46 Cb -0.22 -0.01 0.00 0.00 -1.45 0.00 0.00 41.25 39.57 1eal s ASN 46 CO 0.47 -0.29 -0.01 -0.36 -3.72 0.00 0.00 177.10 173.19 1eal s PHE 47 N -2.95 0.10 -0.67 0.43 0.40 0.38 -1.08 117.98 114.59 1eal s PHE 47 Ca 0.13 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 1eal s PHE 47 Cb 0.00 -0.08 0.16 0.00 0.51 0.00 0.00 43.02 43.62 1eal s PHE 47 CO 0.01 -0.01 0.46 0.99 0.70 0.00 0.00 175.22 177.37 1eal s THR 48 N 0.05 3.11 -0.15 0.64 2.01 -0.54 -1.52 115.64 119.24 1eal s THR 48 Ca -0.00 -3.80 -0.09 0.00 0.31 0.00 0.00 61.69 58.11 1eal s THR 48 Cb -0.01 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1eal s THR 48 CO -0.00 -0.94 0.16 0.86 -0.69 0.00 0.00 174.62 174.00 1eal s TRP 49 N -0.96 3.53 0.11 4.92 -0.11 -1.08 -2.09 118.94 123.26 1eal s TRP 49 Ca 0.22 0.48 -0.10 0.00 1.22 0.00 0.00 56.10 57.93 1eal s TRP 49 Cb -0.13 -2.06 0.00 0.00 -1.50 0.00 0.00 33.47 29.78 1eal s TRP 49 CO -0.10 0.54 0.24 0.45 -4.62 0.00 0.00 176.95 173.46 1eal s SER 50 N -0.44 0.05 -0.09 5.86 0.15 -0.64 0.50 113.70 119.09 1eal s SER 50 Ca 0.13 -0.64 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1eal s SER 50 Cb -0.12 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1eal s SER 50 CO 0.02 -0.78 -0.03 -1.10 1.20 0.00 0.00 173.24 172.56 1eal s GLN 51 N -3.87 0.96 -1.34 5.44 -0.21 -1.09 -1.96 119.66 117.58 1eal s GLN 51 Ca 0.07 -0.04 -0.12 0.00 0.02 0.00 0.00 55.36 55.29 1eal s GLN 51 Cb 0.04 -1.23 0.12 0.00 1.00 0.00 0.00 33.01 32.94 1eal s GLN 51 CO -0.09 -0.30 1.97 1.04 -2.12 0.00 0.00 175.29 175.79 1eal n GLN 52 N 5.07 3.33 -1.71 2.91 6.02 0.15 -0.66 117.38 132.49 1eal n GLN 52 Ca -0.09 -3.22 -0.43 0.00 -0.01 0.00 0.00 57.00 53.25 1eal n GLN 52 Cb 0.50 -3.08 -0.01 0.00 1.02 0.00 0.00 30.24 28.67 1eal n GLN 52 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1eal n TYR 53 N 4.92 2.42 -1.29 1.08 4.19 -1.26 -3.95 117.16 123.28 1eal n TYR 53 Ca 0.44 0.48 -0.28 0.00 3.31 0.00 0.00 57.90 61.85 1eal n TYR 53 Cb 0.38 -2.46 0.23 0.00 0.49 0.00 0.00 39.34 37.97 1eal n TYR 53 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1eal n PRO 54 N 1.02 -2.49 -1.04 2.98 -0.04 -1.26 -3.46 135.00 130.70 1eal n PRO 54 Ca 0.06 -1.76 -0.02 0.00 -0.04 0.00 0.00 63.50 61.74 1eal n PRO 54 Cb 0.36 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1eal n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1eal n GLY 55 N -4.09 0.51 2.82 0.55 0.00 -1.26 -3.54 105.19 100.17 1eal n GLY 55 Ca 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1eal n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 56 N -2.25 -0.15 2.43 -0.02 0.00 -1.26 -4.97 105.19 98.98 1eal n GLY 56 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1eal n GLY 56 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1eal n HIS 57 N -3.43 0.89 -1.65 1.61 8.25 -1.22 -5.12 115.22 114.55 1eal n HIS 57 Ca -0.19 -3.38 -0.41 0.00 -0.26 0.00 0.00 57.72 53.48 1eal n HIS 57 Cb 0.62 -0.39 0.02 0.00 1.12 0.00 0.00 29.99 31.35 1eal n HIS 57 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1eal n SER 58 N 0.09 1.81 -4.31 0.41 3.41 -1.25 -4.40 113.62 109.38 1eal n SER 58 Ca 0.19 1.05 -0.44 0.00 -0.26 0.00 0.00 58.87 59.41 1eal n SER 58 Cb 0.71 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1eal n SER 58 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1eal n ILE 59 N -0.49 4.57 -2.33 -1.33 5.41 0.16 -4.88 119.36 120.48 1eal n ILE 59 Ca 0.09 -5.22 -0.35 0.00 1.00 0.00 0.00 62.75 58.26 1eal n ILE 59 Cb 0.40 -2.48 -0.01 0.00 -0.71 0.00 0.00 39.64 36.84 1eal n ILE 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1eal s THR 60 N -0.61 3.30 -0.43 1.39 2.01 -1.26 -2.66 115.64 117.38 1eal s THR 60 Ca 0.35 0.84 0.07 0.00 0.31 0.00 0.00 61.69 63.25 1eal s THR 60 Cb -0.05 -3.35 0.23 0.00 0.01 0.00 0.00 72.50 69.33 1eal s THR 60 CO -0.03 -0.15 0.60 0.59 -0.69 0.00 0.00 174.62 174.94 1eal n ASN 61 N -1.08 -1.08 -4.71 3.53 4.13 0.18 -4.56 115.26 111.67 1eal n ASN 61 Ca 0.10 -2.81 -0.42 0.00 1.68 0.00 0.00 54.58 53.13 1eal n ASN 61 Cb 0.51 0.24 -0.03 0.00 -1.54 0.00 0.00 39.78 38.96 1eal n ASN 61 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1eal s THR 62 N -0.29 3.96 0.10 3.41 2.01 -1.26 -2.64 115.64 120.93 1eal s THR 62 Ca 0.33 1.38 -0.13 0.00 0.31 0.00 0.00 61.69 63.59 1eal s THR 62 Cb 0.15 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1eal s THR 62 CO -0.16 0.08 0.30 0.72 -0.69 0.00 0.00 174.62 174.87 1eal s PHE 63 N 1.40 -0.05 -0.01 4.92 -0.12 -0.58 -4.62 117.98 118.94 1eal s PHE 63 Ca 0.59 -0.28 0.04 0.00 -0.05 0.00 0.00 56.93 57.23 1eal s PHE 63 Cb -0.30 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 1eal s PHE 63 CO 0.28 -0.60 -0.11 0.99 -0.05 0.00 0.00 175.22 175.72 1eal s THR 64 N -3.60 0.90 0.43 -4.49 2.01 -1.26 -0.47 115.64 109.16 1eal s THR 64 Ca 0.02 -0.51 -0.24 0.00 0.31 0.00 0.00 61.69 61.27 1eal s THR 64 Cb 0.03 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.70 1eal s THR 64 CO -0.10 0.24 1.19 -0.63 -0.69 0.00 0.00 174.62 174.62 1eal s ILE 65 N -0.30 3.05 0.00 1.82 1.01 -1.15 -3.45 121.20 122.17 1eal s ILE 65 Ca 0.04 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1eal s ILE 65 Cb -0.05 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1eal s ILE 65 CO -0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1eal n GLY 66 N 0.55 2.36 3.69 6.18 0.00 -1.19 -5.01 105.19 111.77 1eal n GLY 66 Ca 0.06 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1eal n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 67 N 0.00 1.20 -0.15 1.61 1.02 -1.22 -4.78 119.74 117.41 1eal s LYS 67 Ca 0.00 1.24 -0.29 0.00 0.02 0.00 0.00 55.97 56.94 1eal s LYS 67 Cb 0.00 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1eal s LYS 67 CO 0.00 -2.41 1.32 -1.21 -0.92 0.00 0.00 175.35 172.13 1eal s GLU 68 N -4.75 4.22 0.02 1.68 2.02 -1.26 -3.91 118.70 116.72 1eal s GLU 68 Ca 0.65 1.73 -0.03 0.00 0.02 0.00 0.00 54.97 57.34 1eal s GLU 68 Cb -0.21 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 1eal s GLU 68 CO 0.58 -0.73 0.23 0.00 0.02 0.00 0.00 175.26 175.35 1eal s ASP 70 N -2.07 7.16 -0.02 0.00 -4.77 -1.26 -0.69 116.67 115.02 1eal s ASP 70 Ca 0.30 1.66 -0.04 0.00 -3.30 0.00 0.00 52.55 51.17 1eal s ASP 70 Cb -0.13 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 1eal s ASP 70 CO 0.21 -0.09 0.08 -0.63 0.70 0.00 0.00 175.17 175.44 1eal s ILE 71 N -1.70 0.04 0.46 2.11 -1.09 -0.24 -4.75 121.20 116.03 1eal s ILE 71 Ca 0.50 -0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.64 1eal s ILE 71 Cb -0.16 -0.23 -0.02 0.00 -1.58 0.00 0.00 42.46 40.47 1eal s ILE 71 CO 0.21 -0.17 0.05 -1.83 -1.23 0.00 0.00 174.94 171.97 1eal s GLU 72 N -0.52 2.06 0.15 2.79 -1.05 -1.26 -1.11 118.70 119.76 1eal s GLU 72 Ca -0.06 -2.28 0.00 0.00 -0.15 0.00 0.00 54.97 52.48 1eal s GLU 72 Cb -0.04 -1.18 0.00 0.00 -0.44 0.00 0.00 34.13 32.48 1eal s GLU 72 CO 0.00 -0.37 0.00 2.41 0.95 0.00 0.00 175.26 178.25 1eal n THR 73 N -1.09 0.42 0.00 1.83 -1.04 -1.26 -4.97 114.28 108.17 1eal n THR 73 Ca -0.13 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1eal n THR 73 Cb 0.66 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 1eal n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1eal n ILE 74 N -3.23 0.00 -1.57 12.58 0.13 -1.26 -4.86 119.36 121.15 1eal n ILE 74 Ca 0.00 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.24 1eal n ILE 74 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 38.79 1eal n ILE 74 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1eal n GLY 75 N 0.00 4.37 3.29 4.50 0.00 -1.26 -4.56 105.19 111.53 1eal n GLY 75 Ca 0.00 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 1eal n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 76 N 3.83 -0.49 3.91 -0.02 0.00 -1.26 -4.96 105.19 106.20 1eal n GLY 76 Ca 0.63 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.47 1eal n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 77 N -5.95 3.59 -0.30 1.61 -0.14 -1.26 -5.04 119.74 112.25 1eal s LYS 77 Ca 0.38 0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 54.98 1eal s LYS 77 Cb -0.20 -2.53 0.18 0.00 -1.68 0.00 0.00 37.83 33.61 1eal s LYS 77 CO 0.47 0.04 0.83 0.21 -0.76 0.00 0.00 175.35 176.14 1eal s LYS 78 N -4.12 0.36 0.07 1.68 2.47 -1.26 -4.10 119.74 114.85 1eal s LYS 78 Ca 0.45 0.59 -0.07 0.00 -1.56 0.00 0.00 55.97 55.39 1eal s LYS 78 Cb -0.10 0.32 -0.01 0.00 -1.46 0.00 0.00 37.83 36.58 1eal s LYS 78 CO 0.36 -0.45 0.13 -0.59 0.16 0.00 0.00 175.35 174.96 1eal s PHE 79 N 2.91 0.22 0.30 4.03 -0.12 -0.26 -4.99 117.98 120.07 1eal s PHE 79 Ca 0.11 -0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 56.24 1eal s PHE 79 Cb -0.11 -0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.07 1eal s PHE 79 CO -0.17 -0.48 0.65 0.15 -0.05 0.00 0.00 175.22 175.32 1eal s LYS 80 N -3.59 3.85 -0.08 1.99 1.02 -1.26 -1.08 119.74 120.58 1eal s LYS 80 Ca 0.03 0.41 -0.31 0.00 0.02 0.00 0.00 55.97 56.13 1eal s LYS 80 Cb 0.04 -2.53 0.08 0.00 -0.52 0.00 0.00 37.83 34.90 1eal s LYS 80 CO -0.09 0.19 0.75 0.00 -0.92 0.00 0.00 175.35 175.28 1eal s ALA 81 N -2.00 -1.80 0.11 5.17 0.00 0.13 -4.90 121.76 118.47 1eal s ALA 81 Ca 0.50 1.41 -0.21 0.00 0.00 0.00 0.00 51.96 53.66 1eal s ALA 81 Cb -0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 1eal s ALA 81 CO 0.23 -0.35 0.63 0.99 0.00 0.00 0.00 175.76 177.25 1eal s THR 82 N -1.09 4.64 -0.05 0.00 2.01 -1.26 -0.56 115.64 119.33 1eal s THR 82 Ca -0.09 1.32 -0.03 0.00 0.31 0.00 0.00 61.69 63.20 1eal s THR 82 Cb -0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1eal s THR 82 CO 0.08 0.51 0.12 -0.69 -0.69 0.00 0.00 174.62 173.95 1eal s VAL 83 N -1.16 5.13 0.13 3.82 1.01 -1.25 -1.31 120.40 126.77 1eal s VAL 83 Ca 0.32 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 1eal s VAL 83 Cb -0.20 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1eal s VAL 83 CO 0.21 0.46 0.18 0.00 0.00 0.00 0.00 175.10 175.95 1eal s GLN 84 N -1.45 1.00 0.01 2.72 -2.07 -0.70 -3.18 119.66 115.99 1eal s GLN 84 Ca 0.20 -1.22 0.07 0.00 -1.82 0.00 0.00 55.36 52.60 1eal s GLN 84 Cb -0.12 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.09 1eal s GLN 84 CO 0.11 -0.33 -0.22 1.41 -1.32 0.00 0.00 175.29 174.94 1eal s MET 85 N -3.97 2.08 -0.03 9.60 1.75 -1.26 -1.19 119.30 126.29 1eal s MET 85 Ca 0.16 -0.95 -0.29 0.00 -1.25 0.00 0.00 55.69 53.36 1eal s MET 85 Cb 0.05 -2.12 0.07 0.00 2.84 0.00 0.00 34.83 35.67 1eal s MET 85 CO -0.02 0.55 0.64 -1.83 -0.65 0.00 0.00 175.02 173.71 1eal s GLU 86 N -1.02 1.05 3.13 4.11 -1.05 -0.92 -4.98 118.70 119.02 1eal s GLU 86 Ca 0.12 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 1eal s GLU 86 Cb -0.10 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1eal s GLU 86 CO 0.02 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.30 1eal n GLY 87 N 0.80 1.57 2.82 -3.83 0.00 -1.26 -0.69 105.19 104.60 1eal n GLY 87 Ca -0.19 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1eal n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 88 N 0.00 5.75 3.24 -0.02 0.00 -1.26 -4.98 105.19 107.93 1eal n GLY 88 Ca 0.00 -2.52 -0.09 0.00 0.00 0.00 0.00 46.02 43.41 1eal n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 89 N -4.17 1.02 0.03 1.61 1.02 0.13 -3.86 119.74 115.52 1eal s LYS 89 Ca 0.47 -1.25 0.09 0.00 0.02 0.00 0.00 55.97 55.30 1eal s LYS 89 Cb 0.35 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.95 1eal s LYS 89 CO -0.31 -0.33 -0.25 0.54 -0.92 0.00 0.00 175.35 174.08 1eal s VAL 90 N -3.98 2.25 -0.15 3.17 0.11 -0.50 -2.17 120.40 119.11 1eal s VAL 90 Ca 0.18 -1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1eal s VAL 90 Cb 0.05 -1.87 0.05 0.00 -1.53 0.00 0.00 36.38 33.07 1eal s VAL 90 CO -0.01 0.39 -0.01 0.68 -3.33 0.00 0.00 175.10 172.83 1eal s VAL 91 N -0.80 0.71 0.42 2.04 -7.23 -0.33 -1.79 120.40 113.42 1eal s VAL 91 Ca 0.12 -0.42 -0.24 0.00 -1.81 0.00 0.00 61.98 59.63 1eal s VAL 91 Cb -0.10 -1.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.75 1eal s VAL 91 CO 0.02 0.03 1.11 -0.69 -0.31 0.00 0.00 175.10 175.26 1eal s VAL 92 N 1.80 3.40 -0.45 1.32 1.01 0.25 -1.72 120.40 126.03 1eal s VAL 92 Ca 0.01 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.16 1eal s VAL 92 Cb -0.15 -3.58 0.27 0.00 0.00 0.00 0.00 36.38 32.92 1eal s VAL 92 CO -0.07 0.03 0.84 -0.46 0.00 0.00 0.00 175.10 175.43 1eal n ASN 93 N -0.14 -1.64 -4.81 3.32 6.94 -0.42 -2.01 115.26 116.49 1eal n ASN 93 Ca 0.05 -3.22 -0.39 0.00 -0.02 0.00 0.00 54.58 51.01 1eal n ASN 93 Cb 0.48 1.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.85 1eal n ASN 93 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1eal s SER 94 N -1.57 7.02 0.31 0.53 1.04 -1.24 -4.60 113.70 115.19 1eal s SER 94 Ca 0.31 1.22 0.07 0.00 0.48 0.00 0.00 55.95 58.03 1eal s SER 94 Cb 0.24 -2.34 0.84 0.00 0.10 0.00 0.00 66.02 64.86 1eal s SER 94 CO -0.15 0.28 1.67 -0.65 0.98 0.00 0.00 173.24 175.37 1eal h PRO 95 N 4.58 0.31 0.04 4.02 0.11 -1.99 -2.79 132.00 136.28 1eal h PRO 95 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1eal h PRO 95 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1eal h PRO 95 CO 0.63 0.21 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.70 1eal h ASN 96 N 0.32 -0.05 -3.02 -2.05 4.21 -1.94 -3.40 115.58 109.66 1eal h ASN 96 Ca 0.61 0.00 -0.78 0.00 1.21 0.00 0.00 56.30 57.35 1eal h ASN 96 Cb 1.27 0.01 -0.24 0.00 -1.12 0.00 0.00 38.32 38.24 1eal h ASN 96 CO -0.59 0.21 0.81 0.00 -1.29 0.00 0.00 177.43 176.57 1eal n TYR 97 N -3.50 5.12 -2.53 1.19 9.36 -1.20 -4.38 117.16 121.21 1eal n TYR 97 Ca -0.01 -3.69 -0.36 0.00 3.32 0.00 0.00 57.90 57.17 1eal n TYR 97 Cb 0.02 -1.88 -0.04 0.00 -0.63 0.00 0.00 39.34 36.81 1eal n TYR 97 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1eal s HIS 98 N -0.25 3.15 0.06 2.98 5.65 -0.91 -3.67 115.29 122.31 1eal s HIS 98 Ca 0.35 1.61 -0.26 0.00 0.25 0.00 0.00 55.06 57.02 1eal s HIS 98 Cb -0.07 -3.11 0.07 0.00 -1.18 0.00 0.00 32.58 28.29 1eal s HIS 98 CO -0.05 -0.74 0.62 -1.58 -0.65 0.00 0.00 174.74 172.35 1eal s HIS 99 N -1.78 -0.58 0.14 3.88 5.04 -0.85 -1.38 115.29 119.77 1eal s HIS 99 Ca 0.62 0.68 -0.06 0.00 -1.54 0.00 0.00 55.06 54.75 1eal s HIS 99 Cb -0.20 0.47 -0.02 0.00 0.04 0.00 0.00 32.58 32.87 1eal s HIS 99 CO 0.25 -0.73 0.20 0.95 -2.34 0.00 0.00 174.74 173.07 1eal s THR 100 N -2.54 0.09 0.01 0.89 -4.23 -0.47 0.88 115.64 110.26 1eal s THR 100 Ca -0.05 -1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 58.84 1eal s THR 100 Cb -0.01 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1eal s THR 100 CO -0.02 -0.40 0.17 0.00 -0.54 0.00 0.00 174.62 173.83 1eal s ALA 101 N -3.98 -0.40 0.07 3.99 0.00 -0.74 -1.86 121.76 118.85 1eal s ALA 101 Ca 0.18 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 1eal s ALA 101 Cb 0.05 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1eal s ALA 101 CO -0.01 -0.24 0.46 -1.83 0.00 0.00 0.00 175.76 174.14 1eal s GLU 102 N -1.60 1.02 0.01 0.00 -1.05 0.11 -1.42 118.70 115.78 1eal s GLU 102 Ca -0.13 -0.42 -0.01 0.00 -0.15 0.00 0.00 54.97 54.27 1eal s GLU 102 Cb -0.06 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.05 1eal s GLU 102 CO 0.01 -0.38 0.12 0.42 0.95 0.00 0.00 175.26 176.38 1eal s ILE 103 N -2.90 4.96 -0.11 1.83 -1.09 -1.25 -1.10 121.20 121.54 1eal s ILE 103 Ca -0.03 -0.38 -0.06 0.00 -2.23 0.00 0.00 60.65 57.96 1eal s ILE 103 Cb -0.00 -3.31 0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1eal s ILE 103 CO -0.05 0.30 0.27 0.54 -1.23 0.00 0.00 174.94 174.77 1eal s VAL 104 N -1.28 -0.03 0.00 2.92 0.11 -0.35 -4.91 120.40 116.86 1eal s VAL 104 Ca 0.26 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1eal s VAL 104 Cb -0.12 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1eal s VAL 104 CO 0.17 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.46 1eal n ASP 105 N 4.07 0.00 -2.70 3.54 9.92 -1.26 -1.00 116.55 129.12 1eal n ASP 105 Ca -0.23 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 53.96 1eal n ASP 105 Cb 0.54 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.11 1eal n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1eal n GLY 106 N 0.00 1.53 3.31 0.44 0.00 -1.26 -5.13 105.19 104.08 1eal n GLY 106 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1eal n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 107 N -0.92 1.12 -0.01 1.61 -0.14 -0.17 -4.58 119.74 116.65 1eal s LYS 107 Ca 0.21 -1.21 0.03 0.00 -1.36 0.00 0.00 55.97 53.64 1eal s LYS 107 Cb 0.42 0.36 -0.03 0.00 -1.68 0.00 0.00 37.83 36.89 1eal s LYS 107 CO -0.06 -0.40 -0.07 -1.17 -0.76 0.00 0.00 175.35 172.89 1eal s LEU 108 N -2.98 3.16 -0.00 3.17 2.96 -0.57 -1.21 118.68 123.21 1eal s LEU 108 Ca 0.18 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1eal s LEU 108 Cb 0.04 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 1eal s LEU 108 CO 0.00 0.30 0.11 -0.69 -1.32 0.00 0.00 176.35 174.75 1eal s VAL 109 N -0.96 0.07 0.14 1.68 1.01 -0.26 -0.32 120.40 121.76 1eal s VAL 109 Ca 0.16 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1eal s VAL 109 Cb -0.11 -0.37 0.06 0.00 0.00 0.00 0.00 36.38 35.96 1eal s VAL 109 CO 0.06 -0.34 0.54 -1.83 0.00 0.00 0.00 175.10 173.53 1eal s GLU 110 N -1.16 1.20 0.12 2.72 4.04 -0.95 -0.71 118.70 123.96 1eal s GLU 110 Ca -0.13 -0.51 -0.09 0.00 0.04 0.00 0.00 54.97 54.29 1eal s GLU 110 Cb -0.07 0.54 -0.01 0.00 0.02 0.00 0.00 34.13 34.62 1eal s GLU 110 CO 0.01 -0.50 0.22 0.14 -1.84 0.00 0.00 175.26 173.29 1eal s VAL 111 N -3.63 0.12 0.03 1.83 -7.23 -0.78 -0.62 120.40 110.12 1eal s VAL 111 Ca 0.01 -1.27 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1eal s VAL 111 Cb -0.00 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1eal s VAL 111 CO -0.12 -0.52 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.45 1eal s SER 112 N -2.90 1.79 0.01 4.85 0.15 -0.93 -1.37 113.70 115.30 1eal s SER 112 Ca 0.10 -0.43 -0.05 0.00 0.70 0.00 0.00 55.95 56.27 1eal s SER 112 Cb 0.04 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 1eal s SER 112 CO -0.07 0.08 0.07 -0.89 1.20 0.00 0.00 173.24 173.63 1eal s THR 113 N -0.76 0.10 -0.43 6.45 2.01 -0.48 0.23 115.64 122.77 1eal s THR 113 Ca 0.03 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.32 1eal s THR 113 Cb -0.08 -0.41 0.33 0.00 0.01 0.00 0.00 72.50 72.36 1eal s THR 113 CO 0.01 -0.44 0.75 0.55 -0.69 0.00 0.00 174.62 174.80 1eal n VAL 114 N 1.44 0.57 0.00 3.82 3.14 -0.61 -2.13 118.33 124.56 1eal n VAL 114 Ca -0.23 -4.76 0.00 0.00 -2.96 0.00 0.00 64.34 56.39 1eal n VAL 114 Cb 0.56 -0.76 0.00 0.00 -1.06 0.00 0.00 33.84 32.57 1eal n VAL 114 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1eal n GLY 115 N 0.31 1.45 0.06 7.55 0.00 -1.26 -3.86 105.19 109.44 1eal n GLY 115 Ca 0.26 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 1eal n GLY 115 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1eal h GLY 116 N 0.00 0.00 -3.29 -0.02 0.00 -2.00 -3.47 103.07 94.29 1eal h GLY 116 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1eal h GLY 116 CO 0.00 0.00 0.06 0.14 0.00 0.00 0.00 176.54 176.74 1eal s VAL 117 N -1.86 4.69 0.34 4.60 1.01 -1.25 -5.09 120.40 122.84 1eal s VAL 117 Ca -0.08 0.99 0.10 0.00 0.00 0.00 0.00 61.98 62.98 1eal s VAL 117 Cb 0.00 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1eal s VAL 117 CO 0.22 -0.02 -0.08 -0.94 0.00 0.00 0.00 175.10 174.28 1eal s SER 118 N -2.05 3.83 -0.45 3.32 1.04 -1.26 -1.57 113.70 116.56 1eal s SER 118 Ca 0.49 -1.14 0.05 0.00 0.48 0.00 0.00 55.95 55.83 1eal s SER 118 Cb -0.13 -0.39 0.20 0.00 0.10 0.00 0.00 66.02 65.80 1eal s SER 118 CO 0.19 -0.19 0.43 0.00 0.98 0.00 0.00 173.24 174.64 1eal n TYR 119 N -0.82 -0.04 -2.50 5.02 4.19 0.14 -4.61 117.16 118.53 1eal n TYR 119 Ca -0.05 -3.54 -0.33 0.00 3.31 0.00 0.00 57.90 57.30 1eal n TYR 119 Cb 0.63 -0.04 -0.04 0.00 0.49 0.00 0.00 39.34 40.38 1eal n TYR 119 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1eal s GLU 120 N -0.58 3.93 0.05 2.98 2.02 -1.05 -2.18 118.70 123.86 1eal s GLU 120 Ca 0.33 1.10 -0.05 0.00 0.02 0.00 0.00 54.97 56.38 1eal s GLU 120 Cb 0.07 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 1eal s GLU 120 CO -0.16 -0.30 0.07 1.03 0.02 0.00 0.00 175.26 175.92 1eal s ARG 121 N -3.66 0.63 0.09 1.61 0.52 0.21 -1.75 118.95 116.60 1eal s ARG 121 Ca 0.62 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1eal s ARG 121 Cb -0.11 0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1eal s ARG 121 CO 0.25 -0.16 -0.12 0.14 0.02 0.00 0.00 175.30 175.43 1eal s VAL 122 N -3.20 1.02 0.21 3.52 -7.23 -1.21 -2.23 120.40 111.27 1eal s VAL 122 Ca 0.00 -1.49 -0.17 0.00 -1.81 0.00 0.00 61.98 58.51 1eal s VAL 122 Cb 0.02 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.77 1eal s VAL 122 CO -0.07 -0.41 0.53 -0.44 -0.31 0.00 0.00 175.10 174.40 1eal s SER 123 N -2.13 -0.24 0.28 4.85 0.01 0.56 -3.02 113.70 114.01 1eal s SER 123 Ca 0.02 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.78 1eal s SER 123 Cb -0.06 0.59 -0.06 0.00 0.21 0.00 0.00 66.02 66.70 1eal s SER 123 CO 0.01 -1.09 0.02 -1.59 0.41 0.00 0.00 173.24 171.00 1eal s LYS 124 N -3.89 1.52 -0.14 12.44 0.00 -0.06 -1.51 119.74 128.10 1eal s LYS 124 Ca 0.11 -1.81 -0.06 0.00 0.00 0.00 0.00 55.97 54.21 1eal s LYS 124 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 37.83 36.95 1eal s LYS 124 CO -0.01 -0.12 0.06 0.21 0.00 0.00 0.00 175.35 175.50 1eal s LYS 125 N -3.85 3.59 -0.14 1.78 2.20 -1.26 -0.85 119.74 121.21 1eal s LYS 125 Ca 0.33 -0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 55.51 1eal s LYS 125 Cb 0.07 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.23 1eal s LYS 125 CO 0.13 0.50 0.00 1.25 -0.36 0.00 0.00 175.35 176.87 1eal h LEU 126 N 5.91 0.00 0.00 5.43 6.46 -1.76 -3.48 115.31 127.87 1eal h LEU 126 Ca -0.44 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 1eal h LEU 126 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1eal h LEU 126 CO 0.63 0.84 0.00 0.00 -0.62 0.00 0.00 178.44 179.29