#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 h GLN 2 N 0.00 0.53 -0.64 2.12 1.08 -1.84 -2.27 115.11 114.09 3i22 h GLN 2 Ca 0.00 -0.61 0.00 0.00 -1.45 0.00 0.00 58.65 56.59 3i22 h GLN 2 Cb 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3i22 h GLN 2 CO 0.00 1.23 0.00 1.33 -0.95 0.00 0.00 178.83 180.44 3i22 n VAL 3 N -3.77 0.00 -3.31 -0.54 0.24 -1.26 -2.70 118.33 106.98 3i22 n VAL 3 Ca -0.09 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.96 3i22 n VAL 3 Cb 0.89 -0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 33.16 3i22 n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i22 s ILE 4 N -0.04 5.08 0.64 1.34 1.01 0.60 -3.77 121.20 126.06 3i22 s ILE 4 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 3i22 s ILE 4 Cb 0.00 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.68 3i22 s ILE 4 CO 0.00 -0.54 0.92 -0.76 0.00 0.00 0.00 174.94 174.56 3i22 s LEU 5 N -4.21 3.00 0.00 2.97 1.43 -0.99 0.13 118.68 121.00 3i22 s LEU 5 Ca 0.41 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3i22 s LEU 5 Cb -0.10 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3i22 s LEU 5 CO 0.36 -1.41 0.16 0.18 0.23 0.00 0.00 176.35 175.87 3i22 n LEU 6 N -2.70 0.31 0.00 1.79 4.32 0.23 -4.22 117.00 116.73 3i22 n LEU 6 Ca 0.08 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 3i22 n LEU 6 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 3i22 n LEU 6 CO 0.50 0.08 0.00 0.47 -1.22 0.00 0.00 177.39 177.22 3i22 n ASP 7 N -0.26 0.00 -0.01 -1.43 8.00 -1.24 -4.90 116.55 116.71 3i22 n ASP 7 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 3i22 n ASP 7 Cb 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3i22 n ASP 7 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3i22 n LYS 8 N 0.00 3.63 -1.42 -1.24 -0.00 -1.26 -2.56 118.16 115.31 3i22 n LYS 8 Ca 0.00 -0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.48 3i22 n LYS 8 Cb 0.00 -1.03 -0.09 0.00 -0.00 0.00 0.00 35.03 33.91 3i22 n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i22 n VAL 9 N -2.07 -1.01 0.00 0.58 0.31 -1.26 -4.39 118.33 110.49 3i22 n VAL 9 Ca -0.02 0.96 0.00 0.00 -0.01 0.00 0.00 64.34 65.28 3i22 n VAL 9 Cb 0.53 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 3i22 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i22 n ALA 10 N -4.24 0.00 -0.07 3.52 0.00 -1.26 -4.48 120.51 113.97 3i22 n ALA 10 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 3i22 n ALA 10 Cb 0.67 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.22 3i22 n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i22 n ASN 11 N 0.00 3.37 -3.60 0.00 3.02 -1.26 -4.80 115.26 111.98 3i22 n ASN 11 Ca 0.00 -2.74 -0.11 0.00 -0.03 0.00 0.00 54.58 51.70 3i22 n ASN 11 Cb 0.00 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.45 3i22 n ASN 11 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 3i22 s LEU 12 N -1.58 -0.48 0.00 3.41 0.05 -1.26 -5.15 118.68 113.67 3i22 s LEU 12 Ca 0.28 0.74 0.00 0.00 0.05 0.00 0.00 54.13 55.20 3i22 s LEU 12 Cb 0.23 2.01 0.00 0.00 -2.05 0.00 0.00 46.19 46.39 3i22 s LEU 12 CO 0.06 -0.29 0.00 0.61 -0.55 0.00 0.00 176.35 176.18 3i22 n GLY 13 N 1.56 -2.39 2.62 -3.48 0.00 -1.26 -4.67 105.19 97.57 3i22 n GLY 13 Ca -0.13 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 3i22 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i22 s SER 14 N -2.15 3.60 -0.73 1.61 0.01 -1.26 -4.69 113.70 110.08 3i22 s SER 14 Ca 0.00 -1.83 -0.02 0.00 1.31 0.00 0.00 55.95 55.41 3i22 s SER 14 Cb 0.00 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.58 3i22 s SER 14 CO 0.00 -0.37 0.67 0.18 0.41 0.00 0.00 173.24 174.13 3i22 n LEU 15 N 4.56 -5.71 -1.21 2.44 7.99 -1.06 -4.22 117.00 119.79 3i22 n LEU 15 Ca 0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 56.01 55.79 3i22 n LEU 15 Cb 0.40 -2.92 0.00 0.00 -0.11 0.00 0.00 43.42 40.79 3i22 n LEU 15 CO 0.12 -0.85 0.00 0.61 -1.51 0.00 0.00 177.39 175.76 3i22 n GLY 16 N -1.61 0.79 3.52 -0.72 0.00 -1.23 -5.01 105.19 100.93 3i22 n GLY 16 Ca -0.07 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 3i22 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i22 s ASP 17 N -2.85 4.05 -0.60 1.61 1.01 -1.26 -4.77 116.67 113.85 3i22 s ASP 17 Ca 0.00 -0.55 -0.21 0.00 0.71 0.00 0.00 52.55 52.50 3i22 s ASP 17 Cb 0.00 -0.63 0.08 0.00 1.01 0.00 0.00 42.92 43.38 3i22 s ASP 17 CO 0.00 0.16 0.81 -1.58 0.21 0.00 0.00 175.17 174.76 3i22 s GLN 18 N -2.35 3.11 0.05 8.23 0.74 -1.26 -2.35 119.66 125.82 3i22 s GLN 18 Ca 0.20 -0.97 0.07 0.00 0.05 0.00 0.00 55.36 54.71 3i22 s GLN 18 Cb -0.10 -4.20 -0.03 0.00 1.10 0.00 0.00 33.01 29.77 3i22 s GLN 18 CO 0.12 -1.58 -0.15 0.14 -0.55 0.00 0.00 175.29 173.27 3i22 s VAL 19 N 3.29 3.04 -0.43 1.34 -7.23 -1.10 -5.01 120.40 114.30 3i22 s VAL 19 Ca 0.18 -1.15 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 3i22 s VAL 19 Cb -0.20 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.44 3i22 s VAL 19 CO 0.10 0.29 0.97 0.21 -0.31 0.00 0.00 175.10 176.36 3i22 s ASN 20 N -1.62 6.61 0.38 4.85 3.04 -1.26 -4.33 114.94 122.60 3i22 s ASN 20 Ca 0.16 0.39 0.06 0.00 0.04 0.00 0.00 52.86 53.51 3i22 s ASN 20 Cb -0.11 -2.48 -0.07 0.00 -1.54 0.00 0.00 41.25 37.05 3i22 s ASN 20 CO 0.07 -1.01 0.02 0.54 -3.04 0.00 0.00 177.10 173.68 3i22 s VAL 21 N 3.78 1.75 0.23 -5.21 0.11 -0.85 -5.02 120.40 115.19 3i22 s VAL 21 Ca 0.40 -2.01 -0.01 0.00 -2.93 0.00 0.00 61.98 57.43 3i22 s VAL 21 Cb -0.10 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 3i22 s VAL 21 CO 0.24 -0.02 0.42 -1.59 -3.33 0.00 0.00 175.10 170.83 3i22 s LYS 22 N -3.76 3.52 0.00 1.54 -2.85 -1.26 -4.08 119.74 112.85 3i22 s LYS 22 Ca 0.35 -0.34 0.01 0.00 -1.00 0.00 0.00 55.97 54.99 3i22 s LYS 22 Cb 0.09 -2.80 0.03 0.00 -2.06 0.00 0.00 37.83 33.09 3i22 s LYS 22 CO 0.17 0.35 0.44 0.00 0.10 0.00 0.00 175.35 176.42 3i22 n ALA 23 N -0.88 1.52 -0.58 0.59 0.00 -1.26 -3.03 120.51 116.88 3i22 n ALA 23 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i22 n ALA 23 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3i22 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 24 N -0.88 0.37 0.12 0.00 0.00 -1.26 -4.38 105.19 99.17 3i22 n GLY 24 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3i22 n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i22 n TYR 25 N -1.40 -0.13 -2.58 1.61 4.19 -1.17 -2.87 117.16 114.82 3i22 n TYR 25 Ca 0.00 0.36 -0.34 0.00 3.31 0.00 0.00 57.90 61.23 3i22 n TYR 25 Cb 0.00 -0.47 -0.04 0.00 0.49 0.00 0.00 39.34 39.32 3i22 n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i22 s ALA 26 N -4.89 2.89 -1.51 2.98 0.00 -1.25 -0.26 121.76 119.72 3i22 s ALA 26 Ca -0.03 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3i22 s ALA 26 Cb 0.03 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3i22 s ALA 26 CO 0.18 -0.26 0.00 -2.13 0.00 0.00 0.00 175.76 173.55 3i22 n ARG 27 N -0.92 -1.21 0.00 0.00 3.00 -1.25 -4.59 116.66 111.69 3i22 n ARG 27 Ca 0.09 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.84 3i22 n ARG 27 Cb 0.53 -5.20 0.00 0.00 0.00 0.00 0.00 32.46 27.78 3i22 n ARG 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i22 n ASN 28 N -0.87 0.00 0.02 6.15 5.03 -1.14 -4.96 115.26 119.49 3i22 n ASN 28 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 3i22 n ASN 28 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 3i22 n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3i22 n PHE 29 N -0.44 -0.32 0.22 3.10 7.35 0.64 -4.70 117.46 123.31 3i22 n PHE 29 Ca 0.00 0.06 0.17 0.00 -0.76 0.00 0.00 57.45 56.92 3i22 n PHE 29 Cb 0.00 0.51 0.78 0.00 0.35 0.00 0.00 39.48 41.11 3i22 n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3i22 h LEU 30 N 0.00 0.00 0.00 -2.13 3.38 -1.42 0.80 115.31 115.94 3i22 h LEU 30 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3i22 h LEU 30 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3i22 h LEU 30 CO 0.00 0.00 -2.05 0.52 0.09 0.00 0.00 178.44 177.00 3i22 n VAL 31 N -3.28 1.52 0.30 1.22 0.31 -1.26 0.24 118.33 117.39 3i22 n VAL 31 Ca 0.02 -0.22 0.19 0.00 -0.01 0.00 0.00 64.34 64.32 3i22 n VAL 31 Cb 0.50 -2.02 0.93 0.00 -0.91 0.00 0.00 33.84 32.33 3i22 n VAL 31 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3i22 h PRO 32 N -1.00 0.00 -0.56 5.55 0.11 -1.76 -0.67 132.00 133.66 3i22 h PRO 32 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i22 h PRO 32 Cb 1.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.53 3i22 h PRO 32 CO -0.30 0.02 0.00 0.94 -0.21 0.00 0.00 178.00 178.45 3i22 n GLN 33 N -3.19 4.34 -3.68 1.05 -0.06 0.25 -4.98 117.38 111.11 3i22 n GLN 33 Ca -0.01 -3.04 -0.25 0.00 -2.00 0.00 0.00 57.00 51.69 3i22 n GLN 33 Cb 0.19 -2.10 0.01 0.00 -4.06 0.00 0.00 30.24 24.28 3i22 n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i22 n GLY 34 N 0.65 -1.15 0.00 1.69 0.00 -0.26 -4.91 105.19 101.21 3i22 n GLY 34 Ca 0.26 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3i22 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 35 N -3.25 3.89 -3.53 1.61 4.76 0.62 -4.87 118.16 117.39 3i22 n LYS 35 Ca -0.17 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.19 3i22 n LYS 35 Cb 0.61 -0.45 -0.02 0.00 -1.84 0.00 0.00 35.03 33.33 3i22 n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i22 s ALA 36 N -0.81 -1.87 -0.03 7.82 0.00 0.14 -0.60 121.76 126.41 3i22 s ALA 36 Ca 0.00 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.14 3i22 s ALA 36 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 3i22 s ALA 36 CO 0.00 -0.68 -0.23 0.54 0.00 0.00 0.00 175.76 175.39 3i22 s VAL 37 N -2.99 2.31 0.12 0.00 0.11 0.34 -4.38 120.40 115.92 3i22 s VAL 37 Ca 0.06 -1.01 -0.31 0.00 -2.93 0.00 0.00 61.98 57.79 3i22 s VAL 37 Cb -0.01 -1.83 -0.10 0.00 -1.53 0.00 0.00 36.38 32.91 3i22 s VAL 37 CO -0.08 0.58 1.75 -2.84 -3.33 0.00 0.00 175.10 171.18 3i22 s PRO 38 N -0.63 4.16 -0.37 1.54 0.02 -1.26 -0.29 135.00 138.17 3i22 s PRO 38 Ca 0.10 2.51 -0.27 0.00 0.02 0.00 0.00 61.00 63.36 3i22 s PRO 38 Cb -0.10 -3.49 -0.27 0.00 0.02 0.00 0.00 34.50 30.65 3i22 s PRO 38 CO -0.00 -0.78 1.75 0.00 -0.33 0.00 0.00 177.00 177.64 3i22 n ALA 39 N 5.29 1.96 1.81 -1.55 0.00 -1.26 -4.63 120.51 122.13 3i22 n ALA 39 Ca 0.17 -2.97 0.04 0.00 0.00 0.00 0.00 53.44 50.67 3i22 n ALA 39 Cb 0.38 -3.69 0.18 0.00 0.00 0.00 0.00 19.45 16.32 3i22 n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i22 n THR 40 N 6.58 0.07 0.00 0.00 -2.24 -1.26 -4.87 114.28 112.56 3i22 n THR 40 Ca 0.48 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 3i22 n THR 40 Cb 0.41 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3i22 n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i22 n LYS 41 N -0.39 0.00 -0.14 -0.78 5.02 -1.26 -4.27 118.16 116.33 3i22 n LYS 41 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.44 3i22 n LYS 41 Cb 0.07 -0.34 0.43 0.00 -0.02 0.00 0.00 35.03 35.17 3i22 n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i22 h LYS 42 N 0.00 0.56 0.05 1.97 3.64 -1.95 -2.03 116.57 118.81 3i22 h LYS 42 Ca 0.00 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.08 3i22 h LYS 42 Cb 0.00 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3i22 h LYS 42 CO 0.00 0.37 -1.42 -0.91 -2.27 0.00 0.00 179.45 175.22 3i22 h ASN 43 N 0.57 0.16 -0.08 4.20 2.35 -1.90 -3.34 115.58 117.54 3i22 h ASN 43 Ca 0.31 -0.69 0.02 0.00 -0.55 0.00 0.00 56.30 55.39 3i22 h ASN 43 Cb 0.44 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3i22 h ASN 43 CO -0.10 1.59 0.30 0.16 -1.65 0.00 0.00 177.43 177.72 3i22 h ILE 44 N -0.63 0.11 0.32 2.81 3.07 -1.86 -0.02 117.51 121.31 3i22 h ILE 44 Ca -0.35 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.05 3i22 h ILE 44 Cb 1.54 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3i22 h ILE 44 CO -0.09 0.00 -0.15 -0.08 -1.05 0.00 0.00 178.15 176.78 3i22 h GLU 45 N 0.00 -0.41 -1.17 0.16 4.57 -1.50 -1.80 114.58 114.42 3i22 h GLU 45 Ca 0.04 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3i22 h GLU 45 Cb 0.63 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3i22 h GLU 45 CO -0.00 -0.11 0.00 0.34 -1.18 0.00 0.00 179.01 178.06 3i22 n PHE 46 N -5.07 0.00 0.00 0.92 -0.00 -0.09 -4.19 117.46 109.03 3i22 n PHE 46 Ca -0.08 -0.39 0.00 0.00 -0.00 0.00 0.00 57.45 56.98 3i22 n PHE 46 Cb 0.25 -0.22 0.00 0.00 -0.00 0.00 0.00 39.48 39.52 3i22 n PHE 46 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i22 n PHE 47 N 0.57 0.00 -1.53 -5.13 3.72 -0.79 -5.00 117.46 109.30 3i22 n PHE 47 Ca 0.00 0.00 -0.60 0.00 -0.05 0.00 0.00 57.45 56.80 3i22 n PHE 47 Cb 0.40 0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 39.05 3i22 n PHE 47 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3i22 n GLU 48 N -1.92 0.00 0.00 -1.08 0.00 -0.69 -3.46 120.64 113.49 3i22 n GLU 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i22 n GLU 48 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.01 3i22 n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i22 n ALA 49 N 2.43 0.00 -0.00 4.31 0.00 -1.26 -4.77 120.51 121.22 3i22 n ALA 49 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 3i22 n ALA 49 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 3i22 n ALA 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i22 h ARG 50 N 0.00 0.67 0.00 0.00 9.65 -1.93 3.34 114.38 126.11 3i22 h ARG 50 Ca 0.00 -0.52 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3i22 h ARG 50 Cb 0.00 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3i22 h ARG 50 CO 0.00 1.14 0.05 0.00 2.80 0.00 0.00 179.97 183.96 3i22 h ARG 51 N 0.47 0.00 0.00 0.20 3.08 -1.91 -0.71 114.38 115.51 3i22 h ARG 51 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i22 h ARG 51 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3i22 h ARG 51 CO 0.14 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.04 3i22 n ALA 52 N -1.76 1.33 -1.84 0.04 0.00 -0.09 -4.71 120.51 113.47 3i22 n ALA 52 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3i22 n ALA 52 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3i22 n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i22 n GLU 53 N -0.15 0.00 0.00 0.00 0.00 1.09 -3.65 120.64 117.93 3i22 n GLU 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i22 n GLU 53 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.75 3i22 n GLU 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3i22 n LEU 54 N 0.00 0.00 -0.00 4.31 -0.00 -1.25 -0.24 117.00 119.82 3i22 n LEU 54 Ca 0.00 0.25 -0.00 0.00 -0.00 0.00 0.00 56.01 56.26 3i22 n LEU 54 Cb 0.00 -0.25 -0.00 0.00 -0.00 0.00 0.00 43.42 43.17 3i22 n LEU 54 CO 0.00 -0.25 0.02 -0.08 -0.00 0.00 0.00 177.39 177.08 3i22 h GLU 55 N 0.00 -0.01 0.00 1.47 4.57 -1.79 -3.36 114.58 115.46 3i22 h GLU 55 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i22 h GLU 55 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3i22 h GLU 55 CO 0.00 -0.01 -0.06 0.00 -1.18 0.00 0.00 179.01 177.76 3i22 n ALA 56 N -2.10 2.37 1.73 2.92 0.00 -0.98 -3.06 120.51 121.39 3i22 n ALA 56 Ca -0.00 -0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.53 3i22 n ALA 56 Cb 0.00 -1.44 0.84 0.00 0.00 0.00 0.00 19.45 18.85 3i22 n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i22 n LYS 57 N -2.06 0.80 -0.09 0.00 -0.00 0.66 -3.62 118.16 113.87 3i22 n LYS 57 Ca 0.06 -0.06 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 3i22 n LYS 57 Cb 0.41 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.88 3i22 n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i22 n LEU 58 N -1.04 1.38 0.11 -5.58 7.94 -1.17 -4.32 117.00 114.32 3i22 n LEU 58 Ca 0.20 0.18 0.14 0.00 -1.11 0.00 0.00 56.01 55.42 3i22 n LEU 58 Cb 0.18 -0.51 0.66 0.00 0.53 0.00 0.00 43.42 44.28 3i22 n LEU 58 CO 0.20 0.40 1.13 0.00 -1.11 0.00 0.00 177.39 178.01 3i22 h ALA 59 N -0.56 2.26 -1.21 1.96 0.00 -1.70 -2.46 119.26 117.56 3i22 h ALA 59 Ca -0.43 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 53.75 3i22 h ALA 59 Cb 1.40 0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.89 3i22 h ALA 59 CO -0.25 -0.35 0.49 0.39 0.00 0.00 0.00 179.25 179.54 3i22 n GLU 60 N -4.45 3.13 0.00 0.00 4.71 -1.24 -2.89 120.64 119.90 3i22 n GLU 60 Ca 0.04 -3.92 0.00 0.00 -0.01 0.00 0.00 57.16 53.27 3i22 n GLU 60 Cb 0.37 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.52 3i22 n GLU 60 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3i22 n VAL 61 N -0.48 0.00 0.00 2.62 3.14 -0.96 -4.95 118.33 117.70 3i22 n VAL 61 Ca 0.49 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 3i22 n VAL 61 Cb 0.36 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 3i22 n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i22 n LEU 62 N -2.41 1.68 0.00 6.55 -0.00 -1.02 -4.50 117.00 117.30 3i22 n LEU 62 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 3i22 n LEU 62 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 43.62 3i22 n LEU 62 CO 0.00 0.28 0.43 0.00 -0.00 0.00 0.00 177.39 178.10 3i22 n ALA 63 N -2.13 2.05 0.82 1.47 0.00 -1.03 -1.39 120.51 120.31 3i22 n ALA 63 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.49 3i22 n ALA 63 Cb 0.41 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 3i22 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 64 N -0.70 3.64 0.00 0.00 0.00 -1.14 -4.29 120.51 118.03 3i22 n ALA 64 Ca 0.05 -0.55 0.21 0.00 0.00 0.00 0.00 53.44 53.15 3i22 n ALA 64 Cb 0.02 -0.64 0.70 0.00 0.00 0.00 0.00 19.45 19.53 3i22 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 65 N 2.96 2.47 -1.55 0.00 0.00 -1.49 -3.45 119.26 118.20 3i22 h ALA 65 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i22 h ALA 65 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i22 h ALA 65 CO 0.00 -0.66 0.00 -1.71 0.00 0.00 0.00 179.25 176.88 3i22 n ASN 66 N -4.31 0.00 -0.21 0.00 4.05 -1.26 -4.63 115.26 108.91 3i22 n ASN 66 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 3i22 n ASN 66 Cb 0.62 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.62 3i22 n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i22 n ALA 67 N 0.09 -0.66 -2.77 5.20 0.00 -1.26 -4.66 120.51 116.46 3i22 n ALA 67 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 3i22 n ALA 67 Cb 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 19.45 18.91 3i22 n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i22 n ARG 68 N -1.78 4.76 0.00 0.00 0.00 -1.26 -4.76 116.66 113.61 3i22 n ARG 68 Ca -0.00 -4.45 0.13 0.00 -0.00 0.00 0.00 57.85 53.53 3i22 n ARG 68 Cb 0.07 -2.54 0.64 0.00 0.00 0.00 0.00 32.46 30.63 3i22 n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i22 n ALA 69 N 1.08 2.29 0.09 5.13 0.00 -1.26 -3.44 120.51 124.39 3i22 n ALA 69 Ca 0.36 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.57 3i22 n ALA 69 Cb 0.30 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.25 3i22 n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i22 h GLU 70 N 0.00 0.20 -2.95 0.00 4.39 -1.97 -3.38 114.58 110.87 3i22 h GLU 70 Ca 0.00 -0.29 -0.67 0.00 0.34 0.00 0.00 59.36 58.74 3i22 h GLU 70 Cb 0.29 0.10 -0.38 0.00 -0.10 0.00 0.00 28.75 28.66 3i22 h GLU 70 CO 0.00 1.07 -0.24 1.63 -1.16 0.00 0.00 179.01 180.32 3i22 n LYS 71 N -3.56 2.61 0.00 2.33 4.01 -1.22 -4.44 118.16 117.89 3i22 n LYS 71 Ca -0.05 -4.54 0.00 0.00 -0.51 0.00 0.00 58.31 53.21 3i22 n LYS 71 Cb 0.91 -2.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 3i22 n LYS 71 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 3i22 n ILE 72 N 1.76 0.00 0.33 -0.18 0.13 -1.26 -4.92 119.36 115.22 3i22 n ILE 72 Ca 0.24 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.76 3i22 n ILE 72 Cb 0.37 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.11 3i22 n ILE 72 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 3i22 h ASN 73 N 0.00 -0.72 -0.05 9.51 -1.24 -1.78 -2.46 115.58 118.85 3i22 h ASN 73 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3i22 h ASN 73 Cb 0.04 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.28 3i22 h ASN 73 CO 0.00 -0.45 0.00 0.00 -1.29 0.00 0.00 177.43 175.69 3i22 n ALA 74 N -2.52 2.53 -0.61 1.57 0.00 -1.26 -4.99 120.51 115.22 3i22 n ALA 74 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3i22 n ALA 74 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3i22 n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i22 n LEU 75 N -0.22 0.00 0.00 0.00 4.32 -0.93 -4.64 117.00 115.53 3i22 n LEU 75 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 3i22 n LEU 75 Cb 0.14 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 3i22 n LEU 75 CO 0.01 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.39 3i22 n GLU 76 N 13.22 0.00 -1.24 3.23 0.00 -1.26 -4.12 120.64 130.47 3i22 n GLU 76 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.80 3i22 n GLU 76 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.50 3i22 n GLU 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3i22 n THR 77 N 0.00 1.45 -3.12 6.31 -2.24 -1.26 -4.53 114.28 110.89 3i22 n THR 77 Ca 0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3i22 n THR 77 Cb 0.00 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 3i22 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i22 s VAL 78 N -1.93 4.91 -1.25 2.28 1.01 -1.26 -4.53 120.40 119.62 3i22 s VAL 78 Ca 0.63 0.59 0.14 0.00 0.00 0.00 0.00 61.98 63.34 3i22 s VAL 78 Cb -0.35 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 3i22 s VAL 78 CO 0.60 -0.29 0.77 0.35 0.00 0.00 0.00 175.10 176.54 3i22 n THR 79 N 5.55 0.00 -2.91 3.92 -2.24 -1.16 -4.39 114.28 113.05 3i22 n THR 79 Ca -0.02 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.06 3i22 n THR 79 Cb 0.49 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.81 3i22 n THR 79 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i22 s ILE 80 N -1.77 4.36 -0.03 2.28 1.10 -1.26 -4.98 121.20 120.90 3i22 s ILE 80 Ca 0.11 1.58 -0.34 0.00 -0.51 0.00 0.00 60.65 61.50 3i22 s ILE 80 Cb 0.11 -3.91 -0.12 0.00 0.15 0.00 0.00 42.46 38.69 3i22 s ILE 80 CO 0.37 0.12 1.85 0.00 -2.11 0.00 0.00 174.94 175.17 3i22 n ALA 81 N 0.50 1.08 -0.08 1.50 0.00 -1.26 -4.86 120.51 117.39 3i22 n ALA 81 Ca 0.01 0.30 -0.19 0.00 0.00 0.00 0.00 53.44 53.55 3i22 n ALA 81 Cb 0.51 -2.50 -0.13 0.00 0.00 0.00 0.00 19.45 17.33 3i22 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i22 n SER 82 N 6.24 2.03 -0.64 0.00 2.88 -1.26 -4.97 113.62 117.91 3i22 n SER 82 Ca 0.21 -0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.79 3i22 n SER 82 Cb 0.31 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 63.16 3i22 n SER 82 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3i22 n LYS 83 N -3.36 -1.57 0.00 -1.46 4.81 -1.26 -4.95 118.16 110.36 3i22 n LYS 83 Ca -0.41 1.25 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 3i22 n LYS 83 Cb 1.01 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 34.39 3i22 n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i22 n ALA 84 N -2.48 2.18 -0.62 3.14 0.00 -1.25 -4.48 120.51 117.00 3i22 n ALA 84 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 3i22 n ALA 84 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 3i22 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 85 N 2.60 -1.65 1.92 0.00 0.00 -1.26 -3.36 105.19 103.45 3i22 n GLY 85 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3i22 n GLY 85 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i22 n ASP 86 N -2.53 -0.68 -3.55 1.61 5.75 -1.26 -1.41 116.55 114.48 3i22 n ASP 86 Ca 0.00 0.34 -0.19 0.00 -0.01 0.00 0.00 54.79 54.93 3i22 n ASP 86 Cb 0.28 -0.76 0.06 0.00 -1.03 0.00 0.00 41.12 39.68 3i22 n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i22 n GLU 87 N -1.86 -5.86 0.00 0.11 -0.58 -1.26 -4.83 120.64 106.36 3i22 n GLU 87 Ca 0.00 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 3i22 n GLU 87 Cb 0.34 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.65 3i22 n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i22 n GLY 88 N -1.33 -0.18 0.00 0.62 0.00 -0.50 -5.13 105.19 98.66 3i22 n GLY 88 Ca -0.29 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3i22 n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 89 N 0.00 0.00 0.00 1.61 4.76 -1.26 -4.65 118.16 118.62 3i22 n LYS 89 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i22 n LYS 89 Cb 0.00 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i22 n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i22 n LEU 90 N 0.00 0.00 0.00 -0.35 0.00 -1.21 -3.78 117.00 111.66 3i22 n LEU 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3i22 n LEU 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3i22 n LEU 90 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 177.39 177.88 3i22 n PHE 91 N 0.00 0.00 -1.64 1.96 3.72 -1.26 -4.72 117.46 115.52 3i22 n PHE 91 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i22 n PHE 91 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i22 n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i22 n GLY 92 N 0.00 -0.28 3.72 1.37 0.00 -1.26 -5.12 105.19 103.62 3i22 n GLY 92 Ca 0.00 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 3i22 n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i22 s SER 93 N -4.00 6.79 0.00 1.61 1.04 -1.26 -4.94 113.70 112.94 3i22 s SER 93 Ca 0.00 0.94 0.26 0.00 0.48 0.00 0.00 55.95 57.64 3i22 s SER 93 Cb 0.00 -2.33 0.71 0.00 0.10 0.00 0.00 66.02 64.50 3i22 s SER 93 CO 0.00 -0.04 1.55 -0.38 0.98 0.00 0.00 173.24 175.35 3i22 n ILE 94 N 3.71 0.02 0.00 -1.02 2.08 -1.26 -5.02 119.36 117.88 3i22 n ILE 94 Ca -0.05 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 62.90 3i22 n ILE 94 Cb 0.51 0.87 0.00 0.00 -0.75 0.00 0.00 39.64 40.27 3i22 n ILE 94 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i22 n GLY 95 N 1.25 1.10 2.58 7.39 0.00 -1.26 -4.34 105.19 111.90 3i22 n GLY 95 Ca 0.17 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 3i22 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i22 n THR 96 N 0.00 1.67 0.00 2.61 -2.24 -1.26 -4.86 114.28 110.20 3i22 n THR 96 Ca 0.00 -4.67 0.00 0.00 -2.27 0.00 0.00 64.05 57.11 3i22 n THR 96 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 3i22 n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i22 n ARG 97 N -0.13 0.00 0.00 -0.78 1.74 -1.26 -4.68 116.66 111.55 3i22 n ARG 97 Ca 0.27 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3i22 n ARG 97 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 3i22 n ARG 97 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i22 n ASP 98 N 0.00 0.00 0.00 0.55 4.64 -1.26 -4.69 116.55 115.79 3i22 n ASP 98 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i22 n ASP 98 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3i22 n ASP 98 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 3i22 n ILE 99 N 0.00 0.00 -3.65 5.18 2.08 -1.26 -4.97 119.36 116.74 3i22 n ILE 99 Ca 0.00 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 62.92 3i22 n ILE 99 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.78 3i22 n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i22 s ALA 100 N -1.71 3.23 -0.23 -1.39 0.00 -1.26 -4.83 121.76 115.57 3i22 s ALA 100 Ca 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 51.96 49.80 3i22 s ALA 100 Cb 0.00 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.57 3i22 s ALA 100 CO 0.00 -1.62 -0.06 0.34 0.00 0.00 0.00 175.76 174.42 3i22 s ASP 101 N 1.98 4.22 0.00 0.00 -1.08 -1.26 -5.03 116.67 115.50 3i22 s ASP 101 Ca 0.03 -0.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 3i22 s ASP 101 Cb -0.22 -1.69 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 3i22 s ASP 101 CO 0.01 -0.07 0.00 0.00 0.52 0.00 0.00 175.17 175.64 3i22 n ALA 102 N 4.74 0.00 0.86 3.66 0.00 -1.26 -2.99 120.51 125.51 3i22 n ALA 102 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i22 n ALA 102 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i22 n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i22 n VAL 103 N 0.00 0.18 -0.89 0.00 0.24 -1.26 -4.68 118.33 111.92 3i22 n VAL 103 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i22 n VAL 103 Cb 0.00 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3i22 n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i22 n THR 104 N 0.17 0.00 -3.15 3.34 5.66 -1.26 -4.78 114.28 114.26 3i22 n THR 104 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 3i22 n THR 104 Cb 0.26 -0.89 -0.00 0.00 -1.55 0.00 0.00 70.33 68.15 3i22 n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i22 s ALA 105 N -0.94 -4.57 0.00 1.79 0.00 -1.26 -5.09 121.76 111.69 3i22 s ALA 105 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3i22 s ALA 105 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3i22 s ALA 105 CO 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 175.76 173.59 3i22 n ALA 106 N 5.02 0.00 -0.35 0.00 0.00 -1.26 -5.01 120.51 118.90 3i22 n ALA 106 Ca 0.10 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.80 3i22 n ALA 106 Cb 0.59 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.56 3i22 n ALA 106 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i22 h GLY 107 N 0.00 1.42 -2.66 0.00 0.00 -2.03 -3.40 103.07 96.40 3i22 h GLY 107 Ca 0.00 -0.20 -0.50 0.00 0.00 0.00 0.00 47.33 46.63 3i22 h GLY 107 CO 0.00 -0.25 -0.05 -1.34 0.00 0.00 0.00 176.54 174.90 3i22 s VAL 108 N -5.50 4.98 0.00 4.60 -7.23 -1.26 -5.09 120.40 110.90 3i22 s VAL 108 Ca -0.09 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 3i22 s VAL 108 Cb 0.27 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.41 3i22 s VAL 108 CO 0.80 -0.54 0.00 -0.62 -0.31 0.00 0.00 175.10 174.43 3i22 n GLU 109 N -1.53 3.23 -4.02 4.82 4.71 -1.26 -4.84 120.64 121.76 3i22 n GLU 109 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.80 3i22 n GLU 109 Cb 0.55 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.83 3i22 n GLU 109 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3i22 s VAL 110 N 1.57 2.69 0.00 2.62 -7.23 -1.26 -5.03 120.40 113.75 3i22 s VAL 110 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 3i22 s VAL 110 Cb 0.00 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.74 3i22 s VAL 110 CO 0.00 0.46 0.00 0.00 -0.31 0.00 0.00 175.10 175.25 3i22 n ALA 111 N 4.70 0.00 -3.12 1.32 0.00 -1.26 -5.18 120.51 116.96 3i22 n ALA 111 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3i22 n ALA 111 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i22 n ALA 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i22 n LYS 112 N 0.00 3.53 -1.74 0.00 5.02 -1.26 -4.99 118.16 118.72 3i22 n LYS 112 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3i22 n LYS 112 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3i22 n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i22 n SER 113 N -0.23 8.13 0.17 4.39 7.64 -1.26 -4.68 113.62 127.77 3i22 n SER 113 Ca 0.00 -2.96 0.03 0.00 1.01 0.00 0.00 58.87 56.95 3i22 n SER 113 Cb 0.00 -1.41 0.41 0.00 -1.01 0.00 0.00 64.21 62.20 3i22 n SER 113 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3i22 h GLU 114 N 4.60 0.09 -7.23 1.43 5.08 -1.96 -3.44 114.58 113.14 3i22 h GLU 114 Ca 0.73 -0.02 -0.43 0.00 -1.00 0.00 0.00 59.36 58.63 3i22 h GLU 114 Cb 0.35 -0.01 0.19 0.00 0.50 0.00 0.00 28.75 29.78 3i22 h GLU 114 CO 1.51 0.32 0.06 0.14 -1.00 0.00 0.00 179.01 180.05 3i22 s VAL 115 N -4.51 1.87 0.29 3.13 -7.23 -1.26 -3.96 120.40 108.73 3i22 s VAL 115 Ca -0.04 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.15 3i22 s VAL 115 Cb 0.15 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3i22 s VAL 115 CO 0.72 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 175.65 3i22 s ARG 116 N -4.80 1.55 -0.29 4.82 1.70 -1.10 -4.96 118.95 115.86 3i22 s ARG 116 Ca 0.68 -1.87 -0.16 0.00 -0.47 0.00 0.00 55.73 53.91 3i22 s ARG 116 Cb -0.20 -0.18 0.13 0.00 -0.57 0.00 0.00 34.95 34.13 3i22 s ARG 116 CO 0.61 -0.40 0.88 -0.51 -1.08 0.00 0.00 175.30 174.80 3i22 s LEU 117 N -3.36 -0.67 0.59 -1.89 1.43 -1.26 -4.63 118.68 108.88 3i22 s LEU 117 Ca 0.36 1.05 0.27 0.00 -1.03 0.00 0.00 54.13 54.78 3i22 s LEU 117 Cb 0.06 1.96 1.47 0.00 0.03 0.00 0.00 46.19 49.70 3i22 s LEU 117 CO 0.16 -0.16 1.81 -0.65 0.23 0.00 0.00 176.35 177.73 3i22 h PRO 118 N 6.47 0.00 0.00 1.29 0.11 -2.02 -3.43 132.00 134.43 3i22 h PRO 118 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i22 h PRO 118 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i22 h PRO 118 CO 0.18 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.06 3i22 n ASN 119 N -2.71 1.65 -3.84 -2.05 4.13 -1.26 -5.05 115.26 106.13 3i22 n ASN 119 Ca -0.02 -0.61 -0.42 0.00 1.68 0.00 0.00 54.58 55.21 3i22 n ASN 119 Cb 0.34 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.58 3i22 n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i22 n GLY 120 N 4.11 4.94 1.43 7.41 0.00 -1.26 -4.75 105.19 117.08 3i22 n GLY 120 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 3i22 n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i22 n VAL 121 N 2.66 -2.74 -3.08 1.61 0.31 -1.26 -4.82 118.33 111.01 3i22 n VAL 121 Ca 0.40 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.37 3i22 n VAL 121 Cb 0.34 -3.41 -0.06 0.00 -0.91 0.00 0.00 33.84 29.80 3i22 n VAL 121 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i22 s LEU 122 N 0.00 4.32 0.00 7.52 1.43 -1.26 -4.91 118.68 125.78 3i22 s LEU 122 Ca 0.00 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 3i22 s LEU 122 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3i22 s LEU 122 CO 0.00 0.01 0.60 0.54 0.23 0.00 0.00 176.35 177.72 3i22 n ARG 123 N 0.62 0.88 -1.60 1.70 1.74 -1.26 -5.02 116.66 113.71 3i22 n ARG 123 Ca -0.02 -0.76 -0.27 0.00 -0.77 0.00 0.00 57.85 56.04 3i22 n ARG 123 Cb 0.51 -0.72 -0.05 0.00 -1.02 0.00 0.00 32.46 31.19 3i22 n ARG 123 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i22 s THR 124 N -0.33 3.04 -0.17 0.55 2.01 -1.26 -3.88 115.64 115.61 3i22 s THR 124 Ca 0.00 -0.01 -0.33 0.00 0.31 0.00 0.00 61.69 61.67 3i22 s THR 124 Cb 0.00 -3.10 -0.10 0.00 0.01 0.00 0.00 72.50 69.31 3i22 s THR 124 CO 0.00 -0.10 2.03 0.35 -0.69 0.00 0.00 174.62 176.22 3i22 n THR 125 N 8.28 0.46 0.00 -0.82 -2.24 -1.26 -4.48 114.28 114.22 3i22 n THR 125 Ca 0.40 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 3i22 n THR 125 Cb 0.50 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 3i22 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i22 n GLY 126 N 5.19 -1.69 3.25 3.38 0.00 -1.26 -5.09 105.19 108.98 3i22 n GLY 126 Ca 0.28 0.71 -0.14 0.00 0.00 0.00 0.00 46.02 46.87 3i22 n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i22 s GLU 127 N 0.00 1.11 -0.26 1.61 2.12 -1.26 -4.38 118.70 117.64 3i22 s GLU 127 Ca 0.00 -1.52 -0.01 0.00 0.36 0.00 0.00 54.97 53.80 3i22 s GLU 127 Cb 0.00 -0.42 0.13 0.00 0.26 0.00 0.00 34.13 34.10 3i22 s GLU 127 CO 0.00 -0.06 0.31 -1.01 -0.54 0.00 0.00 175.26 173.97 3i22 s HIS 128 N -3.52 -0.58 -0.69 5.30 3.76 -1.26 -4.87 115.29 113.44 3i22 s HIS 128 Ca 0.21 0.22 -0.02 0.00 -0.15 0.00 0.00 55.06 55.32 3i22 s HIS 128 Cb 0.05 -0.29 0.44 0.00 1.11 0.00 0.00 32.58 33.89 3i22 s HIS 128 CO 0.03 -0.81 2.04 0.39 -0.85 0.00 0.00 174.74 175.54 3i22 n GLU 129 N 5.33 2.69 -0.77 1.40 4.71 -1.26 -2.71 120.64 130.04 3i22 n GLU 129 Ca -0.03 -3.31 -0.30 0.00 -0.01 0.00 0.00 57.16 53.51 3i22 n GLU 129 Cb 0.48 -2.29 0.19 0.00 -1.01 0.00 0.00 31.44 28.82 3i22 n GLU 129 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3i22 s VAL 130 N -4.85 2.22 0.26 2.62 -7.23 -1.26 -4.75 120.40 107.41 3i22 s VAL 130 Ca 0.64 0.07 0.10 0.00 -1.81 0.00 0.00 61.98 60.98 3i22 s VAL 130 Cb 0.50 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3i22 s VAL 130 CO -0.05 -0.09 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.64 3i22 s SER 131 N -2.81 4.27 0.01 4.85 1.04 -1.26 -4.04 113.70 115.77 3i22 s SER 131 Ca 0.66 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 3i22 s SER 131 Cb -0.22 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.20 3i22 s SER 131 CO 0.60 0.02 -0.01 0.12 0.98 0.00 0.00 173.24 174.96 3i22 s PHE 132 N -2.31 0.07 -0.09 5.02 5.36 -1.26 -2.71 117.98 122.07 3i22 s PHE 132 Ca 0.30 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.16 3i22 s PHE 132 Cb -0.06 -0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.57 3i22 s PHE 132 CO 0.18 -0.06 -0.19 -0.65 -1.46 0.00 0.00 175.22 173.04 3i22 s GLN 133 N -0.44 2.49 0.00 10.12 1.11 -1.25 -3.80 119.66 127.89 3i22 s GLN 133 Ca -0.05 -0.69 0.00 0.00 0.01 0.00 0.00 55.36 54.63 3i22 s GLN 133 Cb -0.03 -1.93 0.00 0.00 -1.01 0.00 0.00 33.01 30.04 3i22 s GLN 133 CO -0.00 0.12 0.00 1.55 0.01 0.00 0.00 175.29 176.97 3i22 n VAL 134 N 3.64 0.00 -3.83 1.09 3.14 -1.26 -4.77 118.33 116.33 3i22 n VAL 134 Ca -0.21 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.08 3i22 n VAL 134 Cb 0.52 1.46 0.02 0.00 -1.06 0.00 0.00 33.84 34.78 3i22 n VAL 134 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3i22 s HIS 135 N 0.00 0.16 -1.00 1.45 5.65 -1.26 -5.00 115.29 115.29 3i22 s HIS 135 Ca 0.00 -0.80 0.05 0.00 0.25 0.00 0.00 55.06 54.56 3i22 s HIS 135 Cb 0.00 0.77 0.24 0.00 -1.18 0.00 0.00 32.58 32.41 3i22 s HIS 135 CO 0.00 -1.52 0.94 0.43 -0.65 0.00 0.00 174.74 173.94 3i22 n SER 136 N -1.35 2.23 0.00 9.88 7.64 -1.26 -4.11 113.62 126.65 3i22 n SER 136 Ca -0.07 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.57 3i22 n SER 136 Cb 0.60 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3i22 n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i22 n GLU 137 N 0.19 0.00 -2.35 1.43 1.02 -1.26 -5.03 120.64 114.64 3i22 n GLU 137 Ca 0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.81 3i22 n GLU 137 Cb 0.48 -0.32 -0.03 0.00 -0.02 0.00 0.00 31.44 31.54 3i22 n GLU 137 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i22 s VAL 138 N -1.00 3.44 0.00 2.62 1.01 -1.26 -4.35 120.40 120.85 3i22 s VAL 138 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3i22 s VAL 138 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3i22 s VAL 138 CO 0.00 0.22 0.00 0.49 0.00 0.00 0.00 175.10 175.81 3i22 n PHE 139 N 2.18 0.00 -3.66 5.22 3.01 -1.25 -4.32 117.46 118.64 3i22 n PHE 139 Ca 0.03 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.35 3i22 n PHE 139 Cb 0.44 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.83 3i22 n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i22 s ALA 140 N -2.00 -1.45 -0.19 4.37 0.00 -1.25 -4.63 121.76 116.61 3i22 s ALA 140 Ca 0.00 1.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 3i22 s ALA 140 Cb 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 23.12 22.46 3i22 s ALA 140 CO 0.00 -0.29 0.25 0.15 0.00 0.00 0.00 175.76 175.87 3i22 s LYS 141 N -0.01 0.20 0.00 0.00 1.02 -1.26 -4.09 119.74 115.60 3i22 s LYS 141 Ca -0.02 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.33 3i22 s LYS 141 Cb -0.04 -0.86 0.00 0.00 -0.52 0.00 0.00 37.83 36.42 3i22 s LYS 141 CO 0.02 -0.57 0.00 1.33 -0.92 0.00 0.00 175.35 175.21 3i22 n VAL 142 N 5.33 0.00 -1.73 3.17 0.24 -1.26 -4.25 118.33 119.84 3i22 n VAL 142 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3i22 n VAL 142 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3i22 n VAL 142 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i22 n ILE 143 N 0.00 0.00 -3.31 1.34 -5.35 -1.10 -4.02 119.36 106.92 3i22 n ILE 143 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 3i22 n ILE 143 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3i22 n ILE 143 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3i22 n VAL 144 N 0.00 0.00 -3.49 7.28 0.24 -1.26 -4.27 118.33 116.83 3i22 n VAL 144 Ca 0.00 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 3i22 n VAL 144 Cb 0.00 0.13 -0.04 0.00 -1.47 0.00 0.00 33.84 32.47 3i22 n VAL 144 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3i22 s ASN 145 N -1.34 -0.53 0.23 -1.34 2.47 -1.26 -4.81 114.94 108.35 3i22 s ASN 145 Ca 0.03 0.28 0.03 0.00 0.42 0.00 0.00 52.86 53.61 3i22 s ASN 145 Cb -0.01 0.50 -0.05 0.00 -1.45 0.00 0.00 41.25 40.25 3i22 s ASN 145 CO 0.01 -0.71 0.03 0.68 -3.72 0.00 0.00 177.10 173.39 3i22 s VAL 146 N -2.49 0.83 0.00 -5.21 -7.23 -1.26 -4.37 120.40 100.67 3i22 s VAL 146 Ca -0.02 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3i22 s VAL 146 Cb -0.01 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.55 3i22 s VAL 146 CO -0.03 -0.27 0.00 1.33 -0.31 0.00 0.00 175.10 175.82 3i22 n VAL 147 N -0.40 0.00 -1.40 1.32 0.24 -1.26 -4.96 118.33 111.87 3i22 n VAL 147 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3i22 n VAL 147 Cb 0.64 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3i22 n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i22 n ALA 148 N -1.27 -2.79 1.98 2.33 0.00 -1.26 -4.82 120.51 114.68 3i22 n ALA 148 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3i22 n ALA 148 Cb 0.00 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.39 3i22 n ALA 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59