#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 h GLN 2 N 0.00 0.00 -3.33 2.12 4.20 -1.83 -2.58 115.11 113.69 3i20 h GLN 2 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i20 h GLN 2 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3i20 h GLN 2 CO 0.00 0.00 -0.86 1.33 -0.67 0.00 0.00 178.83 178.63 3i20 n VAL 3 N -4.23 -2.84 -4.27 -0.54 0.24 -1.25 -3.57 118.33 101.86 3i20 n VAL 3 Ca -0.04 1.39 -0.29 0.00 -2.04 0.00 0.00 64.34 63.36 3i20 n VAL 3 Cb 0.17 -2.25 -0.10 0.00 -1.47 0.00 0.00 33.84 30.18 3i20 n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i20 s ILE 4 N -5.06 3.10 0.42 1.34 1.01 0.79 -3.19 121.20 119.62 3i20 s ILE 4 Ca 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 60.65 59.13 3i20 s ILE 4 Cb 0.00 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3i20 s ILE 4 CO 0.00 0.05 0.73 -0.76 0.00 0.00 0.00 174.94 174.97 3i20 s LEU 5 N -2.33 3.77 0.00 2.97 1.43 -1.22 -0.87 118.68 122.44 3i20 s LEU 5 Ca 0.21 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3i20 s LEU 5 Cb -0.10 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.29 3i20 s LEU 5 CO 0.13 -0.45 0.00 0.18 0.23 0.00 0.00 176.35 176.43 3i20 n LEU 6 N -1.76 0.00 0.00 1.79 4.32 -0.09 -3.11 117.00 118.15 3i20 n LEU 6 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i20 n LEU 6 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3i20 n LEU 6 CO 0.51 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.15 3i20 n ASP 7 N -0.33 -1.03 0.00 -1.43 8.00 -1.26 -3.71 116.55 116.80 3i20 n ASP 7 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3i20 n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3i20 n ASP 7 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3i20 n LYS 8 N -1.20 0.00 0.00 -1.24 3.00 -1.26 -2.75 118.16 114.70 3i20 n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i20 n LYS 8 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3i20 n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i20 n VAL 9 N 0.00 0.00 0.00 3.15 0.31 -1.26 -2.68 118.33 117.85 3i20 n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i20 n VAL 9 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i20 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i20 n ALA 10 N 2.06 0.00 0.83 3.52 0.00 -1.26 0.10 120.51 125.75 3i20 n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i20 n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i20 n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i20 n ASN 11 N 0.00 0.94 0.00 0.00 4.13 -1.26 -3.53 115.26 115.54 3i20 n ASN 11 Ca 0.00 -1.66 0.00 0.00 1.68 0.00 0.00 54.58 54.60 3i20 n ASN 11 Cb 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 3i20 n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i20 n LEU 12 N 0.12 0.00 -3.81 3.41 -0.00 -1.20 -5.15 117.00 110.37 3i20 n LEU 12 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.66 3i20 n LEU 12 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.65 3i20 n LEU 12 CO 0.00 0.00 -0.59 0.61 -0.00 0.00 0.00 177.39 177.41 3i20 n GLY 13 N -0.07 -2.92 0.00 1.47 0.00 0.28 -4.95 105.19 99.00 3i20 n GLY 13 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3i20 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i20 n SER 14 N 2.27 0.00 -0.49 1.61 3.41 -1.09 -4.73 113.62 114.59 3i20 n SER 14 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.64 3i20 n SER 14 Cb 0.42 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 3i20 n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i20 n LEU 15 N 0.00 0.02 0.00 1.04 7.99 -1.11 -2.61 117.00 122.33 3i20 n LEU 15 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 3i20 n LEU 15 Cb 0.00 -1.55 0.00 0.00 -0.11 0.00 0.00 43.42 41.76 3i20 n LEU 15 CO 0.00 -0.51 0.00 0.61 -1.51 0.00 0.00 177.39 175.98 3i20 n GLY 16 N 0.23 -0.37 3.34 -0.72 0.00 -1.18 -4.68 105.19 101.81 3i20 n GLY 16 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3i20 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i20 s ASP 17 N 0.00 -0.69 -0.47 1.61 1.11 -1.07 -4.34 116.67 112.82 3i20 s ASP 17 Ca 0.00 0.98 -0.16 0.00 0.18 0.00 0.00 52.55 53.55 3i20 s ASP 17 Cb 0.00 -1.43 0.06 0.00 1.07 0.00 0.00 42.92 42.62 3i20 s ASP 17 CO 0.00 -5.16 0.43 -1.58 1.18 0.00 0.00 175.17 170.04 3i20 s GLN 18 N -4.95 3.01 0.40 8.23 2.00 -1.26 -3.39 119.66 123.71 3i20 s GLN 18 Ca 0.69 -1.20 0.08 0.00 -2.00 0.00 0.00 55.36 52.92 3i20 s GLN 18 Cb -0.16 -4.10 -0.02 0.00 0.80 0.00 0.00 33.01 29.53 3i20 s GLN 18 CO 0.59 -1.03 0.35 0.14 -0.50 0.00 0.00 175.29 174.85 3i20 s VAL 19 N 1.86 2.79 -0.31 1.34 -7.23 -1.19 -5.09 120.40 112.56 3i20 s VAL 19 Ca 0.07 -1.37 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 3i20 s VAL 19 Cb -0.22 -3.03 0.12 0.00 0.56 0.00 0.00 36.38 33.81 3i20 s VAL 19 CO 0.08 -0.03 0.16 0.21 -0.31 0.00 0.00 175.10 175.22 3i20 s ASN 20 N -4.10 3.28 0.08 4.85 3.04 -1.23 -3.96 114.94 116.90 3i20 s ASN 20 Ca 0.47 -1.64 0.07 0.00 0.04 0.00 0.00 52.86 51.80 3i20 s ASN 20 Cb -0.03 -0.35 -0.04 0.00 -1.54 0.00 0.00 41.25 39.28 3i20 s ASN 20 CO 0.27 -0.39 -0.14 0.54 -3.04 0.00 0.00 177.10 174.35 3i20 s VAL 21 N 1.70 3.11 0.27 -5.21 0.11 -0.97 -4.97 120.40 114.43 3i20 s VAL 21 Ca 0.13 -1.26 -0.26 0.00 -2.93 0.00 0.00 61.98 57.65 3i20 s VAL 21 Cb -0.19 -2.40 -0.16 0.00 -1.53 0.00 0.00 36.38 32.10 3i20 s VAL 21 CO -0.22 0.19 0.51 0.29 -3.33 0.00 0.00 175.10 172.54 3i20 n LYS 22 N 1.02 0.25 -0.12 1.54 5.02 -1.26 -4.65 118.16 119.96 3i20 n LYS 22 Ca -0.15 0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.18 3i20 n LYS 22 Cb 0.52 -1.17 0.01 0.00 -0.02 0.00 0.00 35.03 34.38 3i20 n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i20 h ALA 23 N 0.99 0.16 -0.23 7.82 0.00 -1.98 -3.22 119.26 122.81 3i20 h ALA 23 Ca -0.32 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i20 h ALA 23 Cb 1.42 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3i20 h ALA 23 CO 0.55 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3i20 n GLY 24 N -1.35 -2.86 0.24 0.00 0.00 -1.26 -1.15 105.19 98.80 3i20 n GLY 24 Ca 0.02 0.33 0.21 0.00 0.00 0.00 0.00 46.02 46.58 3i20 n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i20 n TYR 25 N -2.41 0.39 0.00 1.61 9.36 -1.22 -1.76 117.16 123.12 3i20 n TYR 25 Ca 0.00 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.61 3i20 n TYR 25 Cb 0.00 -0.77 0.00 0.00 -0.63 0.00 0.00 39.34 37.94 3i20 n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i20 n ALA 26 N -2.57 0.00 -0.93 2.98 0.00 -0.30 -0.56 120.51 119.13 3i20 n ALA 26 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 3i20 n ALA 26 Cb 0.80 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 3i20 n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i20 n ARG 27 N -0.50 1.70 0.00 0.00 5.12 -0.61 -2.07 116.66 120.31 3i20 n ARG 27 Ca 0.00 -1.63 0.00 0.00 -1.93 0.00 0.00 57.85 54.29 3i20 n ARG 27 Cb 0.00 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 28.62 3i20 n ARG 27 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i20 n ASN 28 N 5.98 0.00 0.00 0.55 4.05 -1.13 -4.84 115.26 119.87 3i20 n ASN 28 Ca 0.46 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.49 3i20 n ASN 28 Cb 0.27 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.28 3i20 n ASN 28 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 3i20 n PHE 29 N 0.00 -1.53 0.00 1.20 7.35 -0.88 -4.98 117.46 118.62 3i20 n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3i20 n PHE 29 Cb 0.00 0.31 0.00 0.00 0.35 0.00 0.00 39.48 40.14 3i20 n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3i20 n LEU 30 N -2.01 0.00 0.00 -2.13 4.77 0.27 -3.96 117.00 113.94 3i20 n LEU 30 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3i20 n LEU 30 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i20 n LEU 30 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.39 3i20 n VAL 31 N -0.47 0.00 -1.77 4.08 0.24 -1.21 -2.99 118.33 116.21 3i20 n VAL 31 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i20 n VAL 31 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i20 n VAL 31 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3i20 n PRO 32 N 0.00 -0.52 0.00 7.34 -0.02 -1.26 -3.89 135.00 136.64 3i20 n PRO 32 Ca 0.00 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3i20 n PRO 32 Cb 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 3i20 n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3i20 n GLN 33 N -0.46 0.00 -2.80 -0.52 7.27 -1.22 -4.69 117.38 114.96 3i20 n GLN 33 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 3i20 n GLN 33 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 3i20 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i20 n GLY 34 N 0.00 -3.18 0.00 1.69 0.00 -1.16 -4.95 105.19 97.58 3i20 n GLY 34 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3i20 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i20 n LYS 35 N 1.95 0.00 -1.08 1.61 5.02 -1.21 -4.85 118.16 119.61 3i20 n LYS 35 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 3i20 n LYS 35 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 3i20 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i20 n ALA 36 N 0.00 0.00 -3.64 7.82 0.00 -1.26 -0.91 120.51 122.51 3i20 n ALA 36 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3i20 n ALA 36 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3i20 n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i20 s VAL 37 N -2.71 0.00 0.10 0.00 0.11 -0.05 -4.60 120.40 113.25 3i20 s VAL 37 Ca 0.00 0.00 -0.35 0.00 -2.93 0.00 0.00 61.98 58.70 3i20 s VAL 37 Cb 0.00 -1.00 -0.18 0.00 -1.53 0.00 0.00 36.38 33.67 3i20 s VAL 37 CO 0.00 0.00 1.00 -2.65 -3.33 0.00 0.00 175.10 170.12 3i20 n PRO 38 N 2.40 0.42 -0.95 1.54 -0.02 -1.26 -0.15 135.00 136.98 3i20 n PRO 38 Ca -0.14 0.15 -0.22 0.00 -2.02 0.00 0.00 63.50 61.27 3i20 n PRO 38 Cb 0.57 -1.55 -0.07 0.00 -0.02 0.00 0.00 33.50 32.42 3i20 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i20 n ALA 39 N 1.24 5.90 0.33 3.55 0.00 -1.26 -4.60 120.51 125.66 3i20 n ALA 39 Ca 0.18 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.35 3i20 n ALA 39 Cb 0.17 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.79 3i20 n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i20 n THR 40 N 3.34 0.04 0.00 0.00 -2.24 -1.26 -4.69 114.28 109.46 3i20 n THR 40 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 3i20 n THR 40 Cb 0.41 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3i20 n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i20 n LYS 41 N 0.40 0.00 -0.18 -0.78 5.02 -1.26 -3.96 118.16 117.41 3i20 n LYS 41 Ca 0.00 0.00 0.27 0.00 -2.02 0.00 0.00 58.31 56.56 3i20 n LYS 41 Cb 0.09 0.00 0.69 0.00 -0.02 0.00 0.00 35.03 35.79 3i20 n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i20 h LYS 42 N 0.00 0.06 0.04 1.97 3.64 -1.97 -2.41 116.57 117.90 3i20 h LYS 42 Ca 0.00 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 3i20 h LYS 42 Cb 0.00 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3i20 h LYS 42 CO 0.00 0.04 -1.91 0.09 -2.27 0.00 0.00 179.45 175.40 3i20 n ASN 43 N -4.32 1.23 0.00 4.20 5.03 -1.25 -3.05 115.26 117.11 3i20 n ASN 43 Ca 0.18 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.91 3i20 n ASN 43 Cb 0.90 -0.22 0.01 0.00 -1.02 0.00 0.00 39.78 39.45 3i20 n ASN 43 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 3i20 n ILE 44 N -3.16 1.19 -0.05 2.41 -5.35 -0.91 0.58 119.36 114.06 3i20 n ILE 44 Ca -0.25 0.30 -0.06 0.00 -0.27 0.00 0.00 62.75 62.47 3i20 n ILE 44 Cb 1.06 -1.29 -0.06 0.00 -1.74 0.00 0.00 39.64 37.61 3i20 n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3i20 n GLU 45 N -1.30 1.43 -0.29 6.28 1.02 -1.23 -4.27 120.64 122.28 3i20 n GLU 45 Ca 0.00 0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 3i20 n GLU 45 Cb 0.00 -1.21 0.28 0.00 -0.02 0.00 0.00 31.44 30.49 3i20 n GLU 45 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3i20 h PHE 46 N 0.00 0.99 -1.52 -0.32 -0.00 0.13 0.47 116.94 116.70 3i20 h PHE 46 Ca -0.23 0.03 -0.72 0.00 -0.00 0.00 0.00 57.97 57.05 3i20 h PHE 46 Cb 1.44 -0.32 -0.29 0.00 -0.00 0.00 0.00 35.95 36.78 3i20 h PHE 46 CO 0.01 0.47 0.87 1.19 -0.00 0.00 0.00 178.31 180.85 3i20 n PHE 47 N -4.52 3.10 -0.86 0.41 3.72 0.19 -3.47 117.46 116.03 3i20 n PHE 47 Ca 0.15 -2.65 0.00 0.00 -0.05 0.00 0.00 57.45 54.89 3i20 n PHE 47 Cb 0.27 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.57 3i20 n PHE 47 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3i20 n GLU 48 N -0.71 0.41 -0.07 -1.08 0.00 0.16 -4.51 120.64 114.84 3i20 n GLU 48 Ca 0.57 -0.63 -0.17 0.00 0.00 0.00 0.00 57.16 56.93 3i20 n GLU 48 Cb 0.45 -0.57 -0.13 0.00 0.00 0.00 0.00 31.44 31.20 3i20 n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i20 h ALA 49 N 0.00 0.08 -0.87 4.31 0.00 -1.34 -3.21 119.26 118.23 3i20 h ALA 49 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 54.91 54.18 3i20 h ALA 49 Cb 0.93 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3i20 h ALA 49 CO 0.00 0.26 0.57 0.00 0.00 0.00 0.00 179.25 180.09 3i20 h ARG 50 N -0.93 1.12 0.00 0.00 3.08 -1.80 -2.40 114.38 113.44 3i20 h ARG 50 Ca -0.12 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3i20 h ARG 50 Cb 1.16 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3i20 h ARG 50 CO -0.05 0.74 0.00 0.54 -1.07 0.00 0.00 179.97 180.13 3i20 n ARG 51 N -4.50 0.05 -0.00 0.04 1.74 -1.24 -2.40 116.66 110.36 3i20 n ARG 51 Ca 0.10 0.10 -0.01 0.00 -0.77 0.00 0.00 57.85 57.27 3i20 n ARG 51 Cb 0.03 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3i20 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i20 n ALA 52 N -1.10 2.95 -0.92 7.54 0.00 -1.21 -4.41 120.51 123.35 3i20 n ALA 52 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 3i20 n ALA 52 Cb 0.01 0.48 -0.15 0.00 0.00 0.00 0.00 19.45 19.79 3i20 n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i20 n GLU 53 N -3.06 1.84 0.00 0.00 2.13 -0.90 -2.51 120.64 118.14 3i20 n GLU 53 Ca -0.01 -0.88 0.00 0.00 0.66 0.00 0.00 57.16 56.93 3i20 n GLU 53 Cb 0.48 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.29 3i20 n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i20 n LEU 54 N 2.43 0.00 0.00 4.31 -0.00 -1.09 -4.66 117.00 118.00 3i20 n LEU 54 Ca 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.40 3i20 n LEU 54 Cb 0.85 0.01 0.03 0.00 -0.00 0.00 0.00 43.42 44.31 3i20 n LEU 54 CO 0.11 -0.01 0.51 -0.62 -0.00 0.00 0.00 177.39 177.39 3i20 n GLU 55 N -0.70 0.00 0.00 1.96 1.02 -1.25 -0.49 120.64 121.18 3i20 n GLU 55 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3i20 n GLU 55 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3i20 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i20 n ALA 56 N -1.48 0.93 -0.02 0.62 0.00 -1.17 -4.64 120.51 114.75 3i20 n ALA 56 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 3i20 n ALA 56 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 3i20 n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i20 n LYS 57 N -0.12 0.23 -0.00 0.00 3.00 -0.24 -4.39 118.16 116.65 3i20 n LYS 57 Ca 0.00 0.09 0.16 0.00 -0.00 0.00 0.00 58.31 58.56 3i20 n LYS 57 Cb 0.11 -0.86 0.92 0.00 0.00 0.00 0.00 35.03 35.19 3i20 n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3i20 n LEU 58 N -3.67 0.09 -0.61 3.14 4.77 0.36 -0.89 117.00 120.20 3i20 n LEU 58 Ca -0.06 -0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3i20 n LEU 58 Cb 0.23 -0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.53 3i20 n LEU 58 CO 0.09 0.02 0.60 0.00 -1.33 0.00 0.00 177.39 176.77 3i20 n ALA 59 N -0.92 2.89 -0.03 -1.18 0.00 -0.86 -4.01 120.51 116.41 3i20 n ALA 59 Ca 0.24 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 3i20 n ALA 59 Cb 0.12 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 3i20 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i20 n GLU 60 N 0.38 2.66 0.18 0.00 2.13 -0.77 -4.49 120.64 120.73 3i20 n GLU 60 Ca 0.13 -0.01 0.12 0.00 0.66 0.00 0.00 57.16 58.07 3i20 n GLU 60 Cb 0.47 -1.15 0.64 0.00 0.27 0.00 0.00 31.44 31.67 3i20 n GLU 60 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i20 h VAL 61 N 0.00 0.00 -0.12 6.31 2.07 -1.15 0.02 116.25 123.39 3i20 h VAL 61 Ca -0.14 -0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 3i20 h VAL 61 Cb 1.22 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3i20 h VAL 61 CO 0.01 0.00 -0.72 0.17 0.02 0.00 0.00 177.57 177.05 3i20 h LEU 62 N 0.00 0.64 -8.01 2.57 8.10 -1.79 -3.39 115.31 113.43 3i20 h LEU 62 Ca 0.00 -0.41 -0.65 0.00 0.11 0.00 0.00 57.88 56.93 3i20 h LEU 62 Cb 0.00 -0.19 -0.13 0.00 -0.44 0.00 0.00 40.66 39.90 3i20 h LEU 62 CO 0.00 1.16 1.27 0.00 -4.11 0.00 0.00 178.44 176.76 3i20 s ALA 63 N -3.71 3.11 0.00 0.17 0.00 -0.01 -4.31 121.76 117.01 3i20 s ALA 63 Ca -0.07 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.30 3i20 s ALA 63 Cb 0.10 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.90 3i20 s ALA 63 CO 0.86 -3.28 0.00 0.00 0.00 0.00 0.00 175.76 173.34 3i20 n ALA 64 N 7.69 0.00 -3.33 0.00 0.00 -1.26 -4.91 120.51 118.70 3i20 n ALA 64 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.49 3i20 n ALA 64 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 3i20 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n ALA 65 N 0.00 3.02 -1.64 0.00 0.00 -1.26 -5.08 120.51 115.54 3i20 n ALA 65 Ca 0.00 -3.83 -0.53 0.00 0.00 0.00 0.00 53.44 49.07 3i20 n ALA 65 Cb 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 3i20 n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i20 n ASN 66 N 1.47 2.09 0.00 0.00 5.15 -1.26 -0.18 115.26 122.53 3i20 n ASN 66 Ca 0.25 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.32 3i20 n ASN 66 Cb 0.48 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 3i20 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i20 n ALA 67 N 3.81 0.00 0.00 5.20 0.00 -1.26 -3.70 120.51 124.56 3i20 n ALA 67 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i20 n ALA 67 Cb 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3i20 n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i20 n ARG 68 N -1.41 0.00 -2.29 0.00 0.00 0.74 -4.13 116.66 109.57 3i20 n ARG 68 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 3i20 n ARG 68 Cb 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 32.46 31.57 3i20 n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i20 s ALA 69 N 0.00 2.28 0.00 5.13 0.00 -1.24 -4.83 121.76 123.10 3i20 s ALA 69 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.84 3i20 s ALA 69 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 3i20 s ALA 69 CO 0.00 -4.32 0.00 0.39 0.00 0.00 0.00 175.76 171.83 3i20 n GLU 70 N 8.65 0.00 -0.21 0.00 1.02 -1.26 -4.61 120.64 124.22 3i20 n GLU 70 Ca 0.41 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.59 3i20 n GLU 70 Cb 0.48 -0.05 0.14 0.00 -0.02 0.00 0.00 31.44 31.99 3i20 n GLU 70 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i20 n LYS 71 N -0.11 1.95 -1.12 3.49 2.85 -1.26 -3.74 118.16 120.23 3i20 n LYS 71 Ca 0.00 -1.12 -0.25 0.00 -1.05 0.00 0.00 58.31 55.89 3i20 n LYS 71 Cb 0.00 -1.41 0.11 0.00 -0.65 0.00 0.00 35.03 33.09 3i20 n LYS 71 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 3i20 n ILE 72 N 0.33 3.11 1.34 0.58 3.06 -1.26 -4.48 119.36 122.04 3i20 n ILE 72 Ca 0.10 -2.05 0.06 0.00 -2.50 0.00 0.00 62.75 58.36 3i20 n ILE 72 Cb 0.37 -0.85 0.23 0.00 0.54 0.00 0.00 39.64 39.93 3i20 n ILE 72 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3i20 n ASN 73 N -0.74 1.20 -2.17 9.51 0.23 -1.25 -3.69 115.26 118.36 3i20 n ASN 73 Ca 0.52 -1.85 -0.14 0.00 -0.53 0.00 0.00 54.58 52.59 3i20 n ASN 73 Cb 1.11 -0.12 0.04 0.00 -2.08 0.00 0.00 39.78 38.73 3i20 n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i20 n ALA 74 N 0.10 4.10 -1.08 -2.53 0.00 -1.26 -5.11 120.51 114.72 3i20 n ALA 74 Ca 0.11 -3.39 0.08 0.00 0.00 0.00 0.00 53.44 50.23 3i20 n ALA 74 Cb 0.22 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 3i20 n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i20 n LEU 75 N -0.66 0.00 -4.16 0.00 4.32 -1.24 -4.92 117.00 110.33 3i20 n LEU 75 Ca 0.30 0.62 -0.19 0.00 -0.02 0.00 0.00 56.01 56.71 3i20 n LEU 75 Cb 0.91 -1.76 -0.13 0.00 -1.62 0.00 0.00 43.42 40.82 3i20 n LEU 75 CO 0.26 -1.90 -0.46 -0.70 -1.22 0.00 0.00 177.39 173.36 3i20 s GLU 76 N -0.92 0.90 0.20 3.23 2.56 -1.26 -4.91 118.70 118.49 3i20 s GLU 76 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 54.97 53.79 3i20 s GLU 76 Cb 0.00 -0.92 -0.15 0.00 2.00 0.00 0.00 34.13 35.07 3i20 s GLU 76 CO 0.00 0.22 1.23 2.41 -0.56 0.00 0.00 175.26 178.56 3i20 n THR 77 N 1.61 0.96 -2.99 -1.70 -1.04 -1.26 -4.87 114.28 104.99 3i20 n THR 77 Ca -0.19 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.05 61.13 3i20 n THR 77 Cb 0.54 -1.05 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 3i20 n THR 77 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i20 s VAL 78 N -0.19 4.84 0.09 12.58 -7.23 -1.26 -4.53 120.40 124.70 3i20 s VAL 78 Ca 0.71 -1.65 -0.32 0.00 -1.81 0.00 0.00 61.98 58.91 3i20 s VAL 78 Cb -0.78 -4.72 -0.15 0.00 0.56 0.00 0.00 36.38 31.28 3i20 s VAL 78 CO 0.52 -1.43 1.62 0.74 -0.31 0.00 0.00 175.10 176.24 3i20 h THR 79 N 5.69 0.30 0.00 5.32 2.02 -1.81 -3.46 112.91 120.97 3i20 h THR 79 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3i20 h THR 79 Cb 1.03 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3i20 h THR 79 CO 1.06 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 176.57 3i20 n ILE 80 N -5.47 0.00 0.00 3.11 2.08 -1.25 -5.02 119.36 112.81 3i20 n ILE 80 Ca -0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.20 3i20 n ILE 80 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 3i20 n ILE 80 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i20 n ALA 81 N -3.00 0.00 -1.85 -1.39 0.00 -1.24 -4.39 120.51 108.63 3i20 n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i20 n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i20 n ALA 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i20 n SER 82 N 0.00 0.00 0.00 0.00 3.41 -1.26 -2.56 113.62 113.21 3i20 n SER 82 Ca 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 3i20 n SER 82 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i20 n SER 82 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i20 n LYS 83 N 0.00 0.00 0.00 4.33 4.01 -1.26 -4.84 118.16 120.40 3i20 n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i20 n LYS 83 Cb 0.42 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.94 3i20 n LYS 83 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i20 n ALA 84 N 0.33 0.00 0.00 7.82 0.00 -1.26 -4.92 120.51 122.48 3i20 n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i20 n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i20 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 85 N 0.00 -0.10 4.10 0.00 0.00 -1.24 -2.54 105.19 105.41 3i20 n GLY 85 Ca 0.00 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 3i20 n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i20 n ASP 86 N 0.00 -0.50 -3.43 1.61 8.00 -1.26 -2.82 116.55 118.16 3i20 n ASP 86 Ca 0.00 -1.09 -0.14 0.00 0.71 0.00 0.00 54.79 54.27 3i20 n ASP 86 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 3i20 n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i20 n GLU 87 N -3.80 -0.66 0.00 -1.24 1.02 -1.26 -2.10 120.64 112.60 3i20 n GLU 87 Ca -0.07 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3i20 n GLU 87 Cb 0.48 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 3i20 n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i20 n GLY 88 N -1.17 3.22 0.00 0.62 0.00 -1.13 -5.07 105.19 101.67 3i20 n GLY 88 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3i20 n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i20 n LYS 89 N 0.00 2.83 -4.35 1.61 4.81 -0.89 -4.93 118.16 117.23 3i20 n LYS 89 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 3i20 n LYS 89 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 3i20 n LYS 89 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i20 s LEU 90 N 0.00 2.51 0.00 3.14 1.02 -1.25 -3.70 118.68 120.40 3i20 s LEU 90 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 54.13 53.19 3i20 s LEU 90 Cb 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 46.19 45.42 3i20 s LEU 90 CO 0.00 -0.09 0.00 0.33 0.02 0.00 0.00 176.35 176.61 3i20 n PHE 91 N -0.14 -0.44 -2.14 0.29 -0.00 -1.24 -4.28 117.46 109.50 3i20 n PHE 91 Ca -0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.04 3i20 n PHE 91 Cb 0.59 0.17 -0.01 0.00 -0.00 0.00 0.00 39.48 40.23 3i20 n PHE 91 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i20 s GLY 92 N -2.49 1.92 0.46 7.13 0.00 -1.05 -4.99 107.32 108.29 3i20 s GLY 92 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 44.72 44.88 3i20 s GLY 92 CO 0.00 0.39 0.09 -1.35 0.00 0.00 0.00 173.10 172.23 3i20 s SER 93 N -3.44 4.17 -0.55 1.64 1.04 -1.26 -4.85 113.70 110.46 3i20 s SER 93 Ca 0.58 -1.40 -0.22 0.00 0.48 0.00 0.00 55.95 55.40 3i20 s SER 93 Cb -0.11 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.07 3i20 s SER 93 CO 0.41 -0.69 0.81 -0.63 0.98 0.00 0.00 173.24 174.11 3i20 s ILE 94 N -2.75 4.60 1.01 -1.02 -1.09 -1.26 -5.03 121.20 115.66 3i20 s ILE 94 Ca 0.26 -0.17 -0.16 0.00 -2.23 0.00 0.00 60.65 58.35 3i20 s ILE 94 Cb 0.04 -4.46 0.01 0.00 -1.58 0.00 0.00 42.46 36.48 3i20 s ILE 94 CO 0.14 -1.03 -0.04 0.61 -1.23 0.00 0.00 174.94 173.39 3i20 n GLY 95 N 5.17 -2.60 0.13 6.18 0.00 -1.26 -4.69 105.19 108.12 3i20 n GLY 95 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3i20 n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i20 n THR 96 N -3.70 0.00 -2.82 2.61 5.66 -1.26 -2.09 114.28 112.68 3i20 n THR 96 Ca 0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.93 3i20 n THR 96 Cb 0.58 -0.32 0.02 0.00 -1.55 0.00 0.00 70.33 69.07 3i20 n THR 96 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i20 n ARG 97 N -0.27 0.70 -0.96 1.09 1.74 -1.26 -3.97 116.66 113.73 3i20 n ARG 97 Ca 0.00 -2.00 -0.01 0.00 -0.77 0.00 0.00 57.85 55.07 3i20 n ARG 97 Cb 0.01 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 3i20 n ARG 97 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i20 n ASP 98 N 1.93 0.01 -0.00 0.55 2.03 -0.89 -4.81 116.55 115.37 3i20 n ASP 98 Ca 0.13 -1.81 0.08 0.00 0.52 0.00 0.00 54.79 53.71 3i20 n ASP 98 Cb 0.60 -0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.86 3i20 n ASP 98 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3i20 n ILE 99 N 0.15 0.00 -0.02 5.18 2.08 -1.26 -4.54 119.36 120.95 3i20 n ILE 99 Ca -0.07 -0.15 -0.17 0.00 0.56 0.00 0.00 62.75 62.93 3i20 n ILE 99 Cb 0.80 0.89 -0.13 0.00 -0.75 0.00 0.00 39.64 40.45 3i20 n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i20 h ALA 100 N 2.23 -0.03 0.00 -1.39 0.00 -1.87 -3.40 119.26 114.79 3i20 h ALA 100 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3i20 h ALA 100 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i20 h ALA 100 CO 0.00 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 3i20 n ASP 101 N -4.40 0.00 0.00 0.00 3.85 -1.26 0.52 116.55 115.25 3i20 n ASP 101 Ca -0.12 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.96 3i20 n ASP 101 Cb 0.62 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.39 3i20 n ASP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i20 n ALA 102 N -3.74 -0.09 -0.72 2.12 0.00 -1.06 -3.75 120.51 113.27 3i20 n ALA 102 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i20 n ALA 102 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3i20 n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i20 n VAL 103 N -1.41 2.25 0.75 0.00 0.24 0.69 -3.11 118.33 117.73 3i20 n VAL 103 Ca 0.00 -1.21 0.12 0.00 -2.04 0.00 0.00 64.34 61.21 3i20 n VAL 103 Cb 0.00 -1.95 0.24 0.00 -1.47 0.00 0.00 33.84 30.65 3i20 n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i20 n THR 104 N 3.08 0.28 -1.01 3.34 5.66 0.18 -4.27 114.28 121.55 3i20 n THR 104 Ca 0.36 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 3i20 n THR 104 Cb 0.47 0.98 0.00 0.00 -1.55 0.00 0.00 70.33 70.23 3i20 n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i20 n ALA 105 N 1.15 0.84 -1.00 1.79 0.00 -1.26 -4.94 120.51 117.09 3i20 n ALA 105 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3i20 n ALA 105 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i20 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n ALA 106 N 0.00 0.00 -1.00 0.00 0.00 -1.26 -4.98 120.51 113.27 3i20 n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i20 n ALA 106 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3i20 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 107 N 2.64 -1.77 3.84 0.00 0.00 -1.26 -4.96 105.19 103.67 3i20 n GLY 107 Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 3i20 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i20 s VAL 108 N 0.00 4.82 0.06 1.61 1.01 -1.26 -5.05 120.40 121.60 3i20 s VAL 108 Ca 0.00 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 3i20 s VAL 108 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3i20 s VAL 108 CO 0.00 0.31 0.93 -1.61 0.00 0.00 0.00 175.10 174.73 3i20 s GLU 109 N -1.77 4.62 0.00 2.72 2.02 -1.26 -5.03 118.70 120.00 3i20 s GLU 109 Ca 0.36 1.37 0.00 0.00 0.02 0.00 0.00 54.97 56.72 3i20 s GLU 109 Cb -0.16 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.67 3i20 s GLU 109 CO 0.19 0.13 0.00 1.33 0.02 0.00 0.00 175.26 176.93 3i20 n VAL 110 N 3.19 0.00 -2.67 2.63 0.24 -1.26 -5.15 118.33 115.32 3i20 n VAL 110 Ca 0.03 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.30 3i20 n VAL 110 Cb 0.50 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.91 3i20 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i20 n ALA 111 N -3.00 -3.81 -3.18 2.33 0.00 -1.26 -5.07 120.51 106.52 3i20 n ALA 111 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 3i20 n ALA 111 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 19.45 16.02 3i20 n ALA 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i20 s LYS 112 N 0.91 0.56 -0.96 0.00 -0.14 -1.26 -4.91 119.74 113.94 3i20 s LYS 112 Ca 0.24 -0.21 -0.01 0.00 -1.36 0.00 0.00 55.97 54.62 3i20 s LYS 112 Cb 0.14 0.25 0.30 0.00 -1.68 0.00 0.00 37.83 36.83 3i20 s LYS 112 CO -0.11 -0.14 1.34 -1.13 -0.76 0.00 0.00 175.35 174.55 3i20 n SER 113 N 1.51 5.89 -3.51 2.83 3.41 -1.25 -4.92 113.62 117.57 3i20 n SER 113 Ca -0.21 -3.46 -0.37 0.00 -0.26 0.00 0.00 58.87 54.56 3i20 n SER 113 Cb 0.56 -1.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.37 3i20 n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i20 n GLU 114 N 1.02 1.99 -1.68 4.33 1.02 -1.26 -4.94 120.64 121.13 3i20 n GLU 114 Ca 0.29 -1.89 -0.43 0.00 -0.02 0.00 0.00 57.16 55.12 3i20 n GLU 114 Cb 0.34 -2.85 -0.01 0.00 -0.02 0.00 0.00 31.44 28.91 3i20 n GLU 114 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3i20 n VAL 115 N 5.26 2.06 -0.01 2.62 0.24 -1.26 -4.48 118.33 122.76 3i20 n VAL 115 Ca 0.50 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 62.30 3i20 n VAL 115 Cb 0.32 -1.46 -0.01 0.00 -1.47 0.00 0.00 33.84 31.23 3i20 n VAL 115 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i20 n ARG 116 N 0.52 2.78 -3.53 7.34 0.63 -1.26 -4.92 116.66 118.22 3i20 n ARG 116 Ca 0.06 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.58 3i20 n ARG 116 Cb 0.36 -1.03 -0.07 0.00 0.45 0.00 0.00 32.46 32.17 3i20 n ARG 116 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i20 s LEU 117 N -4.36 5.91 0.00 6.15 1.43 -1.26 -4.97 118.68 121.58 3i20 s LEU 117 Ca -0.01 -2.54 -0.01 0.00 -1.03 0.00 0.00 54.13 50.54 3i20 s LEU 117 Cb 0.00 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3i20 s LEU 117 CO 0.04 -0.53 1.13 -0.81 0.23 0.00 0.00 176.35 176.41 3i20 n PRO 118 N 4.04 0.55 -3.43 1.29 -0.04 -1.26 -4.71 135.00 131.45 3i20 n PRO 118 Ca 0.06 -0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.20 3i20 n PRO 118 Cb 0.42 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3i20 n PRO 118 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3i20 n ASN 119 N 2.02 2.48 -0.63 3.54 5.15 -1.26 -4.99 115.26 121.56 3i20 n ASN 119 Ca 0.05 -2.50 0.00 0.00 -0.60 0.00 0.00 54.58 51.53 3i20 n ASN 119 Cb 0.27 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 3i20 n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i20 n GLY 120 N -0.01 1.53 2.61 8.20 0.00 -1.26 -4.93 105.19 111.33 3i20 n GLY 120 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3i20 n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i20 n VAL 121 N 0.16 -0.84 -1.47 1.61 0.24 -1.26 -4.73 118.33 112.05 3i20 n VAL 121 Ca 0.00 0.00 -0.50 0.00 -2.04 0.00 0.00 64.34 61.80 3i20 n VAL 121 Cb 0.30 -2.12 -0.04 0.00 -1.47 0.00 0.00 33.84 30.51 3i20 n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3i20 n LEU 122 N 2.31 -0.25 -4.14 1.34 4.32 -1.26 -4.93 117.00 114.39 3i20 n LEU 122 Ca 0.00 1.14 -0.38 0.00 -0.02 0.00 0.00 56.01 56.75 3i20 n LEU 122 Cb 0.00 -1.01 -0.07 0.00 -1.62 0.00 0.00 43.42 40.71 3i20 n LEU 122 CO 0.00 -2.33 0.23 -0.13 -1.22 0.00 0.00 177.39 173.94 3i20 s ARG 123 N -0.72 3.03 0.00 3.23 0.52 -1.26 -5.00 118.95 118.74 3i20 s ARG 123 Ca 0.71 -2.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.10 3i20 s ARG 123 Cb -0.98 -3.94 0.00 0.00 0.52 0.00 0.00 34.95 30.55 3i20 s ARG 123 CO 0.56 -1.23 0.00 0.25 0.02 0.00 0.00 175.30 174.90 3i20 n THR 124 N 3.10 0.00 -0.09 0.02 -2.24 -1.26 -4.42 114.28 109.38 3i20 n THR 124 Ca 0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.90 3i20 n THR 124 Cb 0.39 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 3i20 n THR 124 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3i20 n THR 125 N 0.00 -0.14 0.00 4.28 5.66 -1.26 -4.83 114.28 117.99 3i20 n THR 125 Ca 0.00 1.00 0.00 0.00 -3.05 0.00 0.00 64.05 62.00 3i20 n THR 125 Cb 0.00 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 67.49 3i20 n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i20 n GLY 126 N -1.05 1.39 3.66 1.09 0.00 -1.26 -5.03 105.19 103.98 3i20 n GLY 126 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3i20 n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i20 s GLU 127 N 0.00 4.19 0.03 1.61 -1.05 -1.24 -4.75 118.70 117.50 3i20 s GLU 127 Ca 0.00 2.12 -0.03 0.00 -0.15 0.00 0.00 54.97 56.91 3i20 s GLU 127 Cb 0.00 -3.92 -0.02 0.00 -0.44 0.00 0.00 34.13 29.75 3i20 s GLU 127 CO 0.00 -0.81 0.04 -1.01 0.95 0.00 0.00 175.26 174.43 3i20 s HIS 128 N 3.82 0.26 -0.44 4.83 3.76 -1.26 -4.92 115.29 121.33 3i20 s HIS 128 Ca 0.71 -0.57 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 3i20 s HIS 128 Cb -0.32 -0.19 0.14 0.00 1.11 0.00 0.00 32.58 33.32 3i20 s HIS 128 CO 0.28 -0.31 0.26 -1.21 -0.85 0.00 0.00 174.74 172.91 3i20 s GLU 129 N -2.37 1.25 0.00 1.40 2.02 -1.26 -4.60 118.70 115.13 3i20 s GLU 129 Ca -0.07 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 52.89 3i20 s GLU 129 Cb -0.03 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.00 3i20 s GLU 129 CO -0.04 -1.20 0.00 1.33 0.02 0.00 0.00 175.26 175.38 3i20 n VAL 130 N 3.43 0.00 0.06 2.63 0.24 -1.26 -5.07 118.33 118.36 3i20 n VAL 130 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3i20 n VAL 130 Cb 0.36 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 3i20 n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i20 n SER 131 N -0.92 -1.00 -0.98 -1.34 3.41 -1.26 -4.93 113.62 106.60 3i20 n SER 131 Ca 0.00 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3i20 n SER 131 Cb 0.00 1.28 -0.07 0.00 -0.26 0.00 0.00 64.21 65.16 3i20 n SER 131 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3i20 n PHE 132 N -3.04 -2.64 -2.65 7.33 7.35 -1.26 -3.92 117.46 118.62 3i20 n PHE 132 Ca 0.00 1.46 -0.42 0.00 -0.76 0.00 0.00 57.45 57.73 3i20 n PHE 132 Cb 0.00 -2.40 -0.03 0.00 0.35 0.00 0.00 39.48 37.40 3i20 n PHE 132 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3i20 s GLN 133 N -3.89 3.19 -0.13 -4.13 2.00 -1.26 -4.75 119.66 110.68 3i20 s GLN 133 Ca 0.00 -0.40 0.16 0.00 -2.00 0.00 0.00 55.36 53.12 3i20 s GLN 133 Cb 0.00 -4.18 -0.23 0.00 0.80 0.00 0.00 33.01 29.40 3i20 s GLN 133 CO 0.00 -2.00 0.14 1.33 -0.50 0.00 0.00 175.29 174.26 3i20 n VAL 134 N 6.25 0.88 -3.91 1.34 0.24 -1.26 -5.07 118.33 116.81 3i20 n VAL 134 Ca 0.01 -0.65 0.01 0.00 -2.04 0.00 0.00 64.34 61.67 3i20 n VAL 134 Cb 0.48 -0.39 0.01 0.00 -1.47 0.00 0.00 33.84 32.47 3i20 n VAL 134 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3i20 n HIS 135 N -2.51 -0.40 1.33 6.34 -0.00 -1.26 -4.99 115.22 113.72 3i20 n HIS 135 Ca -0.22 -0.48 0.00 0.00 -0.00 0.00 0.00 57.72 57.02 3i20 n HIS 135 Cb 0.92 0.22 0.00 0.00 -0.00 0.00 0.00 29.99 31.13 3i20 n HIS 135 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3i20 n SER 136 N -0.76 0.63 0.18 0.41 3.41 -1.26 -4.35 113.62 111.89 3i20 n SER 136 Ca 0.02 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3i20 n SER 136 Cb 0.35 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3i20 n SER 136 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i20 n GLU 137 N -0.17 0.00 -0.53 4.33 4.07 -1.26 -5.16 120.64 121.91 3i20 n GLU 137 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 3i20 n GLU 137 Cb 0.16 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.63 3i20 n GLU 137 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3i20 n VAL 138 N -3.31 0.00 -2.18 6.31 0.24 -1.26 -5.10 118.33 113.03 3i20 n VAL 138 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3i20 n VAL 138 Cb 0.00 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 3i20 n VAL 138 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3i20 n PHE 139 N -3.15 0.00 -3.57 6.34 3.01 -1.26 -4.38 117.46 114.45 3i20 n PHE 139 Ca 0.06 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.46 3i20 n PHE 139 Cb 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3i20 n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i20 s ALA 140 N -1.87 -1.98 -0.04 4.37 0.00 -1.25 -4.25 121.76 116.74 3i20 s ALA 140 Ca 0.00 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.38 3i20 s ALA 140 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.02 3i20 s ALA 140 CO 0.00 -0.56 0.06 -1.59 0.00 0.00 0.00 175.76 173.67 3i20 s LYS 141 N -2.35 -0.07 0.18 0.00 -2.85 -1.26 -4.49 119.74 108.90 3i20 s LYS 141 Ca 0.06 0.36 -0.00 0.00 -1.00 0.00 0.00 55.97 55.39 3i20 s LYS 141 Cb -0.01 -0.50 0.00 0.00 -2.06 0.00 0.00 37.83 35.26 3i20 s LYS 141 CO -0.05 -0.32 0.24 1.33 0.10 0.00 0.00 175.35 176.65 3i20 n VAL 142 N 5.22 0.00 -3.97 1.79 0.24 -1.26 -4.23 118.33 116.12 3i20 n VAL 142 Ca -0.05 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 3i20 n VAL 142 Cb 0.50 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 3i20 n VAL 142 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i20 n ILE 143 N -0.31 0.00 -3.59 1.34 -6.64 -1.26 -4.50 119.36 104.39 3i20 n ILE 143 Ca 0.01 0.00 -0.20 0.00 -1.77 0.00 0.00 62.75 60.79 3i20 n ILE 143 Cb 0.31 0.00 -0.15 0.00 -1.44 0.00 0.00 39.64 38.36 3i20 n ILE 143 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 3i20 s VAL 144 N -1.31 -0.22 -0.21 7.28 1.01 -1.26 -4.88 120.40 120.80 3i20 s VAL 144 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 3i20 s VAL 144 Cb 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 3i20 s VAL 144 CO 0.00 -0.09 0.15 0.21 0.00 0.00 0.00 175.10 175.36 3i20 s ASN 145 N 2.25 6.18 1.16 3.32 2.47 -1.26 -3.65 114.94 125.41 3i20 s ASN 145 Ca 0.04 0.19 -0.18 0.00 0.42 0.00 0.00 52.86 53.33 3i20 s ASN 145 Cb -0.14 -2.10 0.27 0.00 -1.45 0.00 0.00 41.25 37.82 3i20 s ASN 145 CO -0.09 0.13 1.11 1.33 -3.72 0.00 0.00 177.10 175.87 3i20 n VAL 146 N 3.82 0.00 -4.29 -5.21 0.24 -1.26 -3.70 118.33 107.93 3i20 n VAL 146 Ca -0.15 -0.61 -0.28 0.00 -2.04 0.00 0.00 64.34 61.26 3i20 n VAL 146 Cb 0.52 -1.33 -0.17 0.00 -1.47 0.00 0.00 33.84 31.40 3i20 n VAL 146 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i20 s VAL 147 N -3.17 1.35 -1.10 3.34 1.01 -1.26 -4.78 120.40 115.78 3i20 s VAL 147 Ca 0.69 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 3i20 s VAL 147 Cb -0.05 -1.27 0.27 0.00 0.00 0.00 0.00 36.38 35.33 3i20 s VAL 147 CO 0.51 0.42 1.11 0.00 0.00 0.00 0.00 175.10 177.14 3i20 s ALA 148 N 1.17 4.66 0.00 5.51 0.00 -1.26 -5.03 121.76 126.81 3i20 s ALA 148 Ca -0.03 -3.79 0.00 0.00 0.00 0.00 0.00 51.96 48.14 3i20 s ALA 148 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3i20 s ALA 148 CO -0.04 -2.24 0.00 -0.85 0.00 0.00 0.00 175.76 172.63