#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 s ILE 2 N 0.00 2.71 0.33 3.17 -4.36 -1.26 -4.81 121.20 116.98 3i20 s ILE 2 Ca 0.00 0.23 0.07 0.00 -0.26 0.00 0.00 60.65 60.69 3i20 s ILE 2 Cb 0.00 -2.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 3i20 s ILE 2 CO 0.00 -0.30 -0.04 -0.83 0.24 0.00 0.00 174.94 174.01 3i20 s GLY 3 N -3.24 2.09 0.44 6.27 0.00 -1.26 -4.65 107.32 106.97 3i20 s GLY 3 Ca 0.64 -2.05 0.08 0.00 0.00 0.00 0.00 44.72 43.38 3i20 s GLY 3 CO 0.57 -1.93 0.46 1.08 0.00 0.00 0.00 173.10 173.28 3i20 s LEU 4 N -3.54 3.37 0.07 0.66 1.02 -0.65 -4.95 118.68 114.67 3i20 s LEU 4 Ca 0.32 -0.72 0.09 0.00 0.02 0.00 0.00 54.13 53.84 3i20 s LEU 4 Cb 0.05 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 3i20 s LEU 4 CO 0.15 -0.77 -0.24 -0.69 0.02 0.00 0.00 176.35 174.82 3i20 s VAL 5 N -2.48 1.96 0.00 -1.59 1.01 -1.26 -1.99 120.40 116.04 3i20 s VAL 5 Ca 0.50 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3i20 s VAL 5 Cb -0.05 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3i20 s VAL 5 CO 0.29 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3i20 n GLY 6 N 1.52 2.72 3.20 4.51 0.00 0.12 -4.58 105.19 112.67 3i20 n GLY 6 Ca -0.18 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 3i20 n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i20 s LYS 7 N -0.94 1.07 -0.62 1.61 2.20 -0.35 -1.21 119.74 121.49 3i20 s LYS 7 Ca 0.00 -0.89 -0.19 0.00 -0.36 0.00 0.00 55.97 54.53 3i20 s LYS 7 Cb 0.00 -1.14 0.11 0.00 -1.51 0.00 0.00 37.83 35.29 3i20 s LYS 7 CO 0.00 0.28 0.76 0.21 -0.36 0.00 0.00 175.35 176.23 3i20 s LYS 8 N -1.34 3.10 -0.15 4.03 2.20 -0.78 -0.78 119.74 126.02 3i20 s LYS 8 Ca 0.03 -1.33 -0.27 0.00 -0.36 0.00 0.00 55.97 54.04 3i20 s LYS 8 Cb -0.09 -4.30 -0.24 0.00 -1.51 0.00 0.00 37.83 31.69 3i20 s LYS 8 CO 0.02 -1.58 0.63 -0.39 -0.36 0.00 0.00 175.35 173.67 3i20 h VAL 9 N 5.89 1.55 -0.64 4.02 -1.51 -1.62 0.50 116.25 124.45 3i20 h VAL 9 Ca -0.26 -2.27 0.00 0.00 -1.23 0.00 0.00 66.70 62.94 3i20 h VAL 9 Cb 1.08 3.04 0.00 0.00 -2.13 0.00 0.00 31.29 33.28 3i20 h VAL 9 CO 1.10 0.53 0.00 0.61 -1.23 0.00 0.00 177.57 178.58 3i20 n GLY 10 N 1.58 -2.72 1.21 5.19 0.00 -0.07 -4.79 105.19 105.58 3i20 n GLY 10 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3i20 n GLY 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i20 n MET 11 N 0.42 0.00 -3.65 1.61 1.56 -1.22 -4.68 117.12 111.15 3i20 n MET 11 Ca 0.00 0.49 0.02 0.00 -0.27 0.00 0.00 57.70 57.94 3i20 n MET 11 Cb 0.00 -0.71 -0.00 0.00 2.15 0.00 0.00 33.22 34.65 3i20 n MET 11 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3i20 s THR 12 N 0.00 0.00 0.22 1.12 2.01 -0.95 -4.95 115.64 113.09 3i20 s THR 12 Ca 0.00 -0.18 0.11 0.00 0.31 0.00 0.00 61.69 61.92 3i20 s THR 12 Cb 0.00 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3i20 s THR 12 CO 0.00 0.00 -0.20 0.00 -0.69 0.00 0.00 174.62 173.73 3i20 s ARG 13 N -2.31 1.50 -0.19 4.92 1.70 -1.26 0.43 118.95 123.75 3i20 s ARG 13 Ca 0.16 -1.60 -0.03 0.00 -0.47 0.00 0.00 55.73 53.79 3i20 s ARG 13 Cb 0.05 -1.61 0.06 0.00 -0.57 0.00 0.00 34.95 32.87 3i20 s ARG 13 CO -0.04 0.32 0.05 0.96 -1.08 0.00 0.00 175.30 175.50 3i20 s ILE 14 N -2.23 0.40 0.84 4.99 -4.36 0.93 -4.91 121.20 116.86 3i20 s ILE 14 Ca 0.23 -0.47 -0.11 0.00 -0.26 0.00 0.00 60.65 60.05 3i20 s ILE 14 Cb -0.05 -0.93 0.10 0.00 1.25 0.00 0.00 42.46 42.83 3i20 s ILE 14 CO 0.11 -0.22 1.13 -0.36 0.24 0.00 0.00 174.94 175.84 3i20 s PHE 15 N 1.92 2.02 -0.08 1.37 2.99 -1.26 -2.73 117.98 122.20 3i20 s PHE 15 Ca -0.00 1.69 -0.10 0.00 0.00 0.00 0.00 56.93 58.52 3i20 s PHE 15 Cb -0.17 -3.24 0.02 0.00 0.00 0.00 0.00 43.02 39.63 3i20 s PHE 15 CO -0.08 -2.40 0.27 -0.08 -0.00 0.00 0.00 175.22 172.92 3i20 s THR 16 N -2.69 0.02 0.02 0.64 -1.32 -0.95 -4.94 115.64 106.43 3i20 s THR 16 Ca 0.65 -0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.99 3i20 s THR 16 Cb -0.21 -0.43 0.04 0.00 -1.51 0.00 0.00 72.50 70.39 3i20 s THR 16 CO 0.56 -0.07 0.14 -0.62 -2.21 0.00 0.00 174.62 172.42 3i20 n GLU 17 N 2.56 -0.01 0.18 7.08 -0.58 -1.26 0.29 120.64 128.90 3i20 n GLU 17 Ca -0.15 0.14 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 3i20 n GLU 17 Cb 0.58 -0.21 0.56 0.00 -0.57 0.00 0.00 31.44 31.79 3i20 n GLU 17 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 3i20 h ASP 18 N 0.00 0.00 -3.51 1.62 3.04 -2.03 -3.45 116.42 112.09 3i20 h ASP 18 Ca 0.04 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.82 3i20 h ASP 18 Cb 0.06 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.37 3i20 h ASP 18 CO -0.09 0.00 -0.05 0.61 -2.04 0.00 0.00 179.24 177.66 3i20 n GLY 19 N -1.27 -0.20 3.25 7.15 0.00 0.82 -5.09 105.19 109.84 3i20 n GLY 19 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3i20 n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i20 s VAL 20 N -3.02 0.02 -0.42 1.61 1.01 -1.16 -4.96 120.40 113.48 3i20 s VAL 20 Ca 0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3i20 s VAL 20 Cb -0.00 -0.54 0.08 0.00 0.00 0.00 0.00 36.38 35.91 3i20 s VAL 20 CO 0.16 -0.08 0.27 -0.55 0.00 0.00 0.00 175.10 174.90 3i20 s SER 21 N -0.28 5.69 -0.24 3.32 0.15 -1.26 -2.24 113.70 118.85 3i20 s SER 21 Ca -0.04 -1.47 -0.24 0.00 0.70 0.00 0.00 55.95 54.90 3i20 s SER 21 Cb -0.03 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 3i20 s SER 21 CO 0.02 -0.54 0.79 -0.63 1.20 0.00 0.00 173.24 174.07 3i20 s ILE 22 N 1.45 4.87 -0.23 6.45 1.01 -1.10 -4.91 121.20 128.74 3i20 s ILE 22 Ca 0.03 1.49 -0.27 0.00 0.00 0.00 0.00 60.65 61.90 3i20 s ILE 22 Cb -0.23 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3i20 s ILE 22 CO 0.03 -0.04 0.95 -2.84 0.00 0.00 0.00 174.94 173.04 3i20 s PRO 23 N 2.68 4.24 0.36 2.79 0.02 -1.26 -0.05 135.00 143.77 3i20 s PRO 23 Ca 0.33 1.19 0.09 0.00 0.02 0.00 0.00 61.00 62.64 3i20 s PRO 23 Cb -0.15 -3.64 -0.06 0.00 0.02 0.00 0.00 34.50 30.67 3i20 s PRO 23 CO 0.08 -0.57 -0.02 0.14 -0.33 0.00 0.00 177.00 176.29 3i20 s VAL 24 N 3.01 2.35 -0.16 3.83 -7.23 0.17 -2.87 120.40 119.50 3i20 s VAL 24 Ca 0.40 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.50 3i20 s VAL 24 Cb -0.15 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 3i20 s VAL 24 CO 0.07 -0.16 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.70 3i20 s THR 25 N -2.59 3.10 -0.71 5.32 2.01 -0.94 -2.25 115.64 119.58 3i20 s THR 25 Ca 0.34 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.50 3i20 s THR 25 Cb 0.03 -2.33 0.08 0.00 0.01 0.00 0.00 72.50 70.28 3i20 s THR 25 CO 0.18 0.50 1.00 -0.69 -0.69 0.00 0.00 174.62 174.92 3i20 s VAL 26 N 0.71 4.37 -0.14 3.82 1.01 -1.26 -2.91 120.40 125.99 3i20 s VAL 26 Ca -0.05 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3i20 s VAL 26 Cb -0.15 -4.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 3i20 s VAL 26 CO 0.02 -1.48 0.37 -0.63 0.00 0.00 0.00 175.10 173.38 3i20 s ILE 27 N 3.90 5.25 0.04 2.22 1.01 -0.47 -0.90 121.20 132.25 3i20 s ILE 27 Ca 0.24 0.72 -0.19 0.00 0.00 0.00 0.00 60.65 61.42 3i20 s ILE 27 Cb -0.15 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.55 3i20 s ILE 27 CO 0.07 0.37 0.55 -0.70 0.00 0.00 0.00 174.94 175.23 3i20 s GLU 28 N 0.50 4.20 -0.40 2.79 2.12 0.04 -2.28 118.70 125.67 3i20 s GLU 28 Ca 0.20 0.69 0.03 0.00 0.36 0.00 0.00 54.97 56.26 3i20 s GLU 28 Cb -0.14 -3.27 0.16 0.00 0.26 0.00 0.00 34.13 31.15 3i20 s GLU 28 CO 0.07 0.57 0.34 0.08 -0.54 0.00 0.00 175.26 175.78 3i20 s VAL 29 N -0.84 0.17 0.55 3.70 1.01 -1.10 -1.21 120.40 122.70 3i20 s VAL 29 Ca 0.29 -2.28 -0.19 0.00 0.00 0.00 0.00 61.98 59.80 3i20 s VAL 29 Cb -0.19 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3i20 s VAL 29 CO 0.18 -1.08 1.11 -1.61 0.00 0.00 0.00 175.10 173.69 3i20 s GLU 30 N 0.38 3.34 0.14 2.72 2.02 -1.26 -4.43 118.70 121.60 3i20 s GLU 30 Ca 0.29 1.52 -0.32 0.00 0.02 0.00 0.00 54.97 56.48 3i20 s GLU 30 Cb -0.02 -2.01 -0.18 0.00 0.10 0.00 0.00 34.13 32.02 3i20 s GLU 30 CO -0.14 -0.84 0.71 0.00 0.02 0.00 0.00 175.26 175.01 3i20 n ALA 31 N -1.46 -2.97 -2.72 5.21 0.00 -1.26 -4.89 120.51 112.43 3i20 n ALA 31 Ca 0.11 0.49 -0.37 0.00 0.00 0.00 0.00 53.44 53.67 3i20 n ALA 31 Cb 0.51 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 3i20 n ALA 31 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i20 s ASN 32 N -0.67 6.46 -0.17 0.00 -0.87 0.33 -4.63 114.94 115.40 3i20 s ASN 32 Ca 0.72 0.54 -0.05 0.00 -1.57 0.00 0.00 52.86 52.50 3i20 s ASN 32 Cb -1.02 -2.18 -0.03 0.00 -0.02 0.00 0.00 41.25 38.00 3i20 s ASN 32 CO 0.56 0.13 -0.01 -0.13 -2.57 0.00 0.00 177.10 175.09 3i20 s ARG 33 N 0.28 3.75 0.17 -0.60 0.52 -0.50 0.20 118.95 122.77 3i20 s ARG 33 Ca 0.17 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 3i20 s ARG 33 Cb -0.13 -3.02 -0.08 0.00 0.52 0.00 0.00 34.95 32.25 3i20 s ARG 33 CO 0.04 0.23 1.15 0.14 0.02 0.00 0.00 175.30 176.88 3i20 s VAL 34 N 0.43 3.77 -0.56 3.52 -7.23 -1.26 -1.24 120.40 117.84 3i20 s VAL 34 Ca -0.02 1.48 0.06 0.00 -1.81 0.00 0.00 61.98 61.70 3i20 s VAL 34 Cb -0.14 -3.95 0.00 0.00 0.56 0.00 0.00 36.38 32.86 3i20 s VAL 34 CO 0.02 0.23 0.50 0.35 -0.31 0.00 0.00 175.10 175.89 3i20 n THR 35 N 2.60 0.00 -3.63 5.32 -2.24 0.57 -3.87 114.28 113.04 3i20 n THR 35 Ca 0.04 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.34 3i20 n THR 35 Cb 0.46 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 3i20 n THR 35 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3i20 s GLN 36 N -0.96 0.16 -0.07 -0.78 0.74 -1.17 -4.95 119.66 112.63 3i20 s GLN 36 Ca 0.05 0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.52 3i20 s GLN 36 Cb 0.05 0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.25 3i20 s GLN 36 CO 0.14 -0.05 -0.06 0.08 -0.55 0.00 0.00 175.29 174.86 3i20 s VAL 37 N -0.89 0.77 -0.00 1.34 1.01 -1.26 -1.15 120.40 120.21 3i20 s VAL 37 Ca 0.07 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3i20 s VAL 37 Cb -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3i20 s VAL 37 CO -0.07 0.30 -0.12 -1.59 0.00 0.00 0.00 175.10 173.62 3i20 s LYS 38 N 1.25 2.42 0.08 2.72 -2.85 -0.48 -5.00 119.74 117.88 3i20 s LYS 38 Ca -0.05 -0.78 0.02 0.00 -1.00 0.00 0.00 55.97 54.17 3i20 s LYS 38 Cb -0.14 -2.39 -0.04 0.00 -2.06 0.00 0.00 37.83 33.21 3i20 s LYS 38 CO -0.02 0.59 -0.08 0.34 0.10 0.00 0.00 175.35 176.29 3i20 s ASP 39 N -1.20 1.13 0.28 0.03 2.15 -1.24 -2.10 116.67 115.71 3i20 s ASP 39 Ca 0.15 -0.83 0.01 0.00 0.43 0.00 0.00 52.55 52.30 3i20 s ASP 39 Cb -0.11 0.06 0.67 0.00 -0.30 0.00 0.00 42.92 43.24 3i20 s ASP 39 CO 0.05 -0.35 1.43 0.18 -0.17 0.00 0.00 175.17 176.31 3i20 n LEU 40 N 0.52 -0.13 -0.03 -1.34 4.32 -0.95 -1.41 117.00 117.97 3i20 n LEU 40 Ca -0.16 1.55 -0.03 0.00 -0.02 0.00 0.00 56.01 57.35 3i20 n LEU 40 Cb 0.58 -0.55 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 3i20 n LEU 40 CO 0.27 -1.56 0.50 0.00 -1.22 0.00 0.00 177.39 175.37 3i20 h ALA 41 N 1.83 -0.38 0.00 -1.18 0.00 -1.91 0.72 119.26 118.34 3i20 h ALA 41 Ca 0.54 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.87 3i20 h ALA 41 Cb 1.09 0.82 0.03 0.00 0.00 0.00 0.00 17.79 19.72 3i20 h ALA 41 CO -0.87 -0.43 2.62 -1.71 0.00 0.00 0.00 179.25 178.86 3i20 n ASN 42 N -3.28 3.82 -0.55 0.00 5.15 -0.50 -4.86 115.26 115.04 3i20 n ASN 42 Ca -0.01 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.38 3i20 n ASN 42 Cb 0.07 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.10 3i20 n ASN 42 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3i20 n ASP 43 N 6.07 0.00 0.00 1.20 2.03 0.25 -4.46 116.55 121.63 3i20 n ASP 43 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 3i20 n ASP 43 Cb 0.31 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 3i20 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i20 n GLY 44 N -0.73 0.78 0.43 0.27 0.00 -1.24 -4.46 105.19 100.23 3i20 n GLY 44 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 3i20 n GLY 44 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i20 n TYR 45 N 0.00 -1.61 -4.92 1.61 4.11 -1.26 -4.31 117.16 110.78 3i20 n TYR 45 Ca 0.00 -0.26 -0.29 0.00 -0.00 0.00 0.00 57.90 57.35 3i20 n TYR 45 Cb 0.00 -0.05 -0.17 0.00 -0.00 0.00 0.00 39.34 39.12 3i20 n TYR 45 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 3i20 s ARG 46 N -2.26 2.51 0.20 -3.48 1.70 -1.26 -2.24 118.95 114.12 3i20 s ARG 46 Ca 0.04 -0.69 -0.23 0.00 -0.47 0.00 0.00 55.73 54.38 3i20 s ARG 46 Cb -0.00 -1.96 0.05 0.00 -0.57 0.00 0.00 34.95 32.47 3i20 s ARG 46 CO 0.02 0.10 0.80 0.00 -1.08 0.00 0.00 175.30 175.14 3i20 s ALA 47 N 0.52 -1.47 0.05 7.88 0.00 -0.89 -1.88 121.76 125.97 3i20 s ALA 47 Ca -0.16 0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.93 3i20 s ALA 47 Cb -0.17 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 3i20 s ALA 47 CO 0.06 -0.97 -0.14 0.96 0.00 0.00 0.00 175.76 175.67 3i20 s ILE 48 N -3.62 3.10 -0.14 0.00 -4.36 -0.67 -1.38 121.20 114.14 3i20 s ILE 48 Ca 0.09 -1.13 -0.02 0.00 -0.26 0.00 0.00 60.65 59.33 3i20 s ILE 48 Cb -0.03 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 3i20 s ILE 48 CO 0.01 0.29 -0.07 -1.58 0.24 0.00 0.00 174.94 173.83 3i20 s GLN 49 N -1.64 3.48 0.20 0.37 0.74 -0.30 -0.79 119.66 121.73 3i20 s GLN 49 Ca 0.17 -0.58 0.04 0.00 0.05 0.00 0.00 55.36 55.04 3i20 s GLN 49 Cb -0.11 -2.78 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 3i20 s GLN 49 CO 0.08 0.28 -0.04 0.14 -0.55 0.00 0.00 175.29 175.19 3i20 s VAL 50 N 0.24 1.10 0.06 1.34 -7.23 0.10 0.21 120.40 116.22 3i20 s VAL 50 Ca -0.05 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.09 3i20 s VAL 50 Cb -0.14 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 3i20 s VAL 50 CO 0.04 -0.48 -0.08 0.28 -0.31 0.00 0.00 175.10 174.56 3i20 s THR 51 N -3.38 0.60 0.00 5.32 -1.32 -0.37 -0.84 115.64 115.65 3i20 s THR 51 Ca 0.24 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 3i20 s THR 51 Cb 0.04 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3i20 s THR 51 CO 0.06 -0.53 0.00 1.07 -2.21 0.00 0.00 174.62 173.01 3i20 n THR 52 N 1.00 0.00 0.00 5.08 5.66 -1.26 -1.41 114.28 123.34 3i20 n THR 52 Ca -0.19 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 3i20 n THR 52 Cb 0.56 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 3i20 n THR 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i20 n GLY 53 N 0.73 0.71 0.00 1.09 0.00 -1.26 -4.80 105.19 101.65 3i20 n GLY 53 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i20 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 n ALA 54 N -3.00 0.00 -2.43 4.61 0.00 -1.22 -4.57 120.51 113.89 3i20 n ALA 54 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3i20 n ALA 54 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3i20 n ALA 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i20 s LYS 55 N -0.90 1.37 0.10 0.00 2.20 -0.65 -4.37 119.74 117.49 3i20 s LYS 55 Ca 0.00 -1.24 -0.31 0.00 -0.36 0.00 0.00 55.97 54.06 3i20 s LYS 55 Cb 0.00 -1.74 -0.10 0.00 -1.51 0.00 0.00 37.83 34.48 3i20 s LYS 55 CO 0.00 0.42 1.87 0.15 -0.36 0.00 0.00 175.35 177.43 3i20 s LYS 56 N -1.85 4.13 0.50 4.03 1.02 -1.26 -4.84 119.74 121.46 3i20 s LYS 56 Ca 0.11 2.62 0.35 0.00 0.02 0.00 0.00 55.97 59.07 3i20 s LYS 56 Cb -0.10 -3.74 1.49 0.00 -0.52 0.00 0.00 37.83 34.96 3i20 s LYS 56 CO 0.05 -0.88 1.71 0.00 -0.92 0.00 0.00 175.35 175.31 3i20 h ALA 57 N 9.12 3.04 -0.00 5.17 0.00 -1.98 0.37 119.26 134.98 3i20 h ALA 57 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i20 h ALA 57 Cb 1.22 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3i20 h ALA 57 CO 0.95 -1.51 -0.02 0.27 0.00 0.00 0.00 179.25 178.94 3i20 n ASN 58 N -4.32 0.38 -0.00 0.00 0.23 -1.26 -3.31 115.26 106.98 3i20 n ASN 58 Ca 0.32 -0.91 0.00 0.00 -0.53 0.00 0.00 54.58 53.46 3i20 n ASN 58 Cb 1.39 -0.05 -0.00 0.00 -2.08 0.00 0.00 39.78 39.04 3i20 n ASN 58 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i20 n ARG 59 N -0.80 3.77 -2.45 -3.83 5.12 0.12 -4.94 116.66 113.66 3i20 n ARG 59 Ca 0.20 -0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.70 3i20 n ARG 59 Cb 0.20 -0.74 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 3i20 n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i20 s VAL 60 N -1.49 4.15 0.42 1.55 0.11 -0.85 -4.99 120.40 119.31 3i20 s VAL 60 Ca 0.00 1.53 0.07 0.00 -2.93 0.00 0.00 61.98 60.65 3i20 s VAL 60 Cb 0.00 -3.98 0.01 0.00 -1.53 0.00 0.00 36.38 30.88 3i20 s VAL 60 CO 0.02 0.09 0.58 0.42 -3.33 0.00 0.00 175.10 172.88 3i20 s THR 61 N 1.38 3.09 0.20 5.04 -4.23 -1.26 -4.91 115.64 114.95 3i20 s THR 61 Ca 0.58 -0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 59.94 3i20 s THR 61 Cb -0.28 -3.05 0.17 0.00 1.34 0.00 0.00 72.50 70.69 3i20 s THR 61 CO 0.27 -0.02 1.59 0.11 -0.54 0.00 0.00 174.62 176.04 3i20 h LYS 62 N 0.61 -0.11 0.12 3.99 1.79 -1.99 -0.74 116.57 120.26 3i20 h LYS 62 Ca -0.41 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.06 3i20 h LYS 62 Cb 1.28 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3i20 h LYS 62 CO 0.46 -0.07 -0.06 -1.35 -1.08 0.00 0.00 179.45 177.35 3i20 h PRO 63 N -0.11 -0.16 -0.79 3.15 0.11 -2.00 -2.45 132.00 129.75 3i20 h PRO 63 Ca 0.26 0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.61 3i20 h PRO 63 Cb 0.54 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 3i20 h PRO 63 CO -0.69 0.21 0.61 0.93 -0.21 0.00 0.00 178.00 178.85 3i20 h GLU 64 N -0.57 0.00 -0.14 1.05 5.08 -1.90 0.67 114.58 118.77 3i20 h GLU 64 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3i20 h GLU 64 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3i20 h GLU 64 CO 0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.96 3i20 h ALA 65 N 1.52 0.20 -0.61 3.43 0.00 -0.76 -1.70 119.26 121.34 3i20 h ALA 65 Ca 0.37 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i20 h ALA 65 Cb 1.59 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3i20 h ALA 65 CO -0.00 0.01 0.20 0.78 0.00 0.00 0.00 179.25 180.24 3i20 h GLY 66 N -0.04 1.01 0.61 0.00 0.00 -0.47 0.43 103.07 104.60 3i20 h GLY 66 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3i20 h GLY 66 CO 0.02 0.55 -0.34 0.84 0.00 0.00 0.00 176.54 177.62 3i20 h HIS 67 N 0.87 -0.91 -0.36 5.60 6.17 -1.17 -2.11 115.15 123.24 3i20 h HIS 67 Ca 0.20 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.32 3i20 h HIS 67 Cb 0.27 0.36 -0.03 0.00 2.52 0.00 0.00 27.41 30.53 3i20 h HIS 67 CO 0.02 -0.47 0.16 0.74 0.71 0.00 0.00 177.93 179.09 3i20 h PHE 68 N -0.68 0.29 -0.79 5.26 -1.00 -0.87 -2.38 116.94 116.77 3i20 h PHE 68 Ca -0.01 0.02 0.12 0.00 2.81 0.00 0.00 57.97 60.90 3i20 h PHE 68 Cb 0.63 -0.08 -0.13 0.00 3.61 0.00 0.00 35.95 39.98 3i20 h PHE 68 CO -0.21 0.14 -0.41 0.00 -1.61 0.00 0.00 178.31 176.23 3i20 h ALA 69 N 1.20 -0.08 -2.00 2.45 0.00 0.26 -3.12 119.26 117.98 3i20 h ALA 69 Ca 0.16 0.19 -0.58 0.00 0.00 0.00 0.00 54.91 54.68 3i20 h ALA 69 Cb 0.09 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i20 h ALA 69 CO -0.13 -0.72 1.42 0.21 0.00 0.00 0.00 179.25 180.03 3i20 s LYS 70 N -5.89 3.27 0.00 0.00 2.20 -0.83 -4.33 119.74 114.16 3i20 s LYS 70 Ca -0.14 1.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.44 3i20 s LYS 70 Cb 0.17 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 3i20 s LYS 70 CO 0.69 -1.95 0.00 0.00 -0.36 0.00 0.00 175.35 173.73 3i20 n ALA 71 N 11.02 -0.21 -1.49 3.13 0.00 -1.25 -4.80 120.51 126.91 3i20 n ALA 71 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 3i20 n ALA 71 Cb 0.45 -0.21 -0.18 0.00 0.00 0.00 0.00 19.45 19.50 3i20 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 72 N -0.78 -0.49 0.00 0.00 0.00 -1.26 -4.86 105.19 97.79 3i20 n GLY 72 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3i20 n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i20 n VAL 73 N 6.58 0.00 -3.65 1.61 0.24 -1.18 -4.85 118.33 117.09 3i20 n VAL 73 Ca 0.66 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.73 3i20 n VAL 73 Cb 0.08 -0.28 0.04 0.00 -1.47 0.00 0.00 33.84 32.20 3i20 n VAL 73 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i20 n GLU 74 N 0.00 -3.25 -1.47 7.34 2.13 -1.26 -4.76 120.64 119.37 3i20 n GLU 74 Ca 0.00 0.59 -0.57 0.00 0.66 0.00 0.00 57.16 57.84 3i20 n GLU 74 Cb 0.00 -4.89 -0.08 0.00 0.27 0.00 0.00 31.44 26.74 3i20 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i20 n ALA 75 N -4.11 -1.35 -2.55 4.31 0.00 -1.26 -4.69 120.51 110.87 3i20 n ALA 75 Ca -0.20 0.43 -0.24 0.00 0.00 0.00 0.00 53.44 53.43 3i20 n ALA 75 Cb 0.64 -1.62 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 3i20 n ALA 75 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i20 s GLY 76 N 2.31 1.94 0.00 0.00 0.00 -1.26 -1.63 107.32 108.67 3i20 s GLY 76 Ca 0.88 -1.88 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 3i20 s GLY 76 CO 0.68 -1.88 0.01 -2.13 0.00 0.00 0.00 173.10 169.77 3i20 n ARG 77 N -0.86 -0.00 -0.16 2.90 0.63 -1.26 -4.55 116.66 113.36 3i20 n ARG 77 Ca -0.05 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3i20 n ARG 77 Cb 0.61 -0.01 0.00 0.00 0.45 0.00 0.00 32.46 33.51 3i20 n ARG 77 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i20 n GLY 78 N -1.00 1.17 3.27 5.14 0.00 -1.26 -4.98 105.19 107.53 3i20 n GLY 78 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 3i20 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i20 s LEU 79 N 0.00 2.40 -0.02 0.99 1.02 -1.26 -4.20 118.68 117.61 3i20 s LEU 79 Ca 0.00 -0.81 -0.11 0.00 0.02 0.00 0.00 54.13 53.23 3i20 s LEU 79 Cb 0.00 -0.65 0.01 0.00 0.02 0.00 0.00 46.19 45.58 3i20 s LEU 79 CO 0.00 -0.10 0.23 0.26 0.02 0.00 0.00 176.35 176.76 3i20 s TRP 80 N -2.04 -0.11 0.29 0.29 0.51 -0.02 -4.98 118.94 112.89 3i20 s TRP 80 Ca 0.10 0.18 0.06 0.00 -2.12 0.00 0.00 56.10 54.32 3i20 s TRP 80 Cb -0.05 0.04 -0.02 0.00 -0.81 0.00 0.00 33.47 32.62 3i20 s TRP 80 CO 0.04 -0.31 0.43 -1.21 -0.51 0.00 0.00 176.95 175.39 3i20 s GLU 81 N -1.10 3.28 -0.10 4.98 2.02 -1.26 -0.72 118.70 125.80 3i20 s GLU 81 Ca -0.12 -0.86 -0.08 0.00 0.02 0.00 0.00 54.97 53.93 3i20 s GLU 81 Cb -0.06 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 31.36 3i20 s GLU 81 CO 0.02 0.23 0.25 -0.06 0.02 0.00 0.00 175.26 175.73 3i20 s PHE 82 N -2.10 -0.29 0.20 1.61 0.08 0.03 -4.96 117.98 112.56 3i20 s PHE 82 Ca 0.40 0.70 -0.22 0.00 0.12 0.00 0.00 56.93 57.93 3i20 s PHE 82 Cb -0.09 0.09 -0.08 0.00 -0.57 0.00 0.00 43.02 42.37 3i20 s PHE 82 CO 0.30 -0.15 0.74 1.03 -0.10 0.00 0.00 175.22 177.05 3i20 s ARG 83 N 0.27 4.36 0.60 0.44 1.81 -1.26 -1.67 118.95 123.51 3i20 s ARG 83 Ca -0.01 0.97 0.10 0.00 -1.72 0.00 0.00 55.73 55.07 3i20 s ARG 83 Cb -0.03 -3.01 0.10 0.00 -0.45 0.00 0.00 34.95 31.56 3i20 s ARG 83 CO -0.01 0.46 0.84 -0.51 -0.68 0.00 0.00 175.30 175.39 3i20 s LEU 84 N -1.68 3.01 -0.45 2.53 1.43 -0.79 -4.46 118.68 118.28 3i20 s LEU 84 Ca 0.40 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3i20 s LEU 84 Cb -0.19 -1.48 0.20 0.00 0.03 0.00 0.00 46.19 44.76 3i20 s LEU 84 CO 0.23 -1.45 0.89 0.00 0.23 0.00 0.00 176.35 176.24 3i20 n ALA 85 N -2.33 -2.64 -1.21 4.21 0.00 -1.26 -4.89 120.51 112.39 3i20 n ALA 85 Ca 0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 53.00 3i20 n ALA 85 Cb 0.62 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.85 3i20 n ALA 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i20 n GLU 86 N 2.74 -0.04 -4.83 0.00 -0.58 -1.26 -5.05 120.64 111.62 3i20 n GLU 86 Ca 0.15 0.43 -0.29 0.00 -0.42 0.00 0.00 57.16 57.02 3i20 n GLU 86 Cb 0.60 -3.95 -0.14 0.00 -0.57 0.00 0.00 31.44 27.37 3i20 n GLU 86 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i20 s GLY 87 N -2.99 1.36 0.37 0.62 0.00 -1.26 -5.15 107.32 100.27 3i20 s GLY 87 Ca 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 43.54 3i20 s GLY 87 CO 0.00 -1.14 0.52 -0.54 0.00 0.00 0.00 173.10 171.94 3i20 s GLU 88 N -1.27 3.02 -0.29 2.90 0.41 -1.26 -4.99 118.70 117.22 3i20 s GLU 88 Ca 0.11 -1.04 -0.15 0.00 -0.41 0.00 0.00 54.97 53.48 3i20 s GLU 88 Cb -0.10 -2.78 0.11 0.00 -1.78 0.00 0.00 34.13 29.59 3i20 s GLU 88 CO 0.02 -0.08 0.79 -2.00 -0.49 0.00 0.00 175.26 173.51 3i20 s GLU 89 N -4.26 0.57 -0.20 1.61 2.56 -1.26 -5.15 118.70 112.57 3i20 s GLU 89 Ca 0.48 1.05 -0.16 0.00 0.00 0.00 0.00 54.97 56.35 3i20 s GLU 89 Cb -0.10 0.23 -0.04 0.00 2.00 0.00 0.00 34.13 36.22 3i20 s GLU 89 CO 0.32 -0.13 0.38 -0.59 -0.56 0.00 0.00 175.26 174.68 3i20 s PHE 90 N 1.76 3.38 -2.00 5.30 -0.71 -1.26 -4.91 117.98 119.54 3i20 s PHE 90 Ca -0.09 0.61 0.02 0.00 -1.04 0.00 0.00 56.93 56.43 3i20 s PHE 90 Cb -0.06 -2.50 0.13 0.00 -1.21 0.00 0.00 43.02 39.39 3i20 s PHE 90 CO -0.18 0.02 0.45 -2.37 -1.34 0.00 0.00 175.22 171.80 3i20 n THR 91 N 4.24 0.00 -0.12 -4.49 5.66 -1.26 -2.55 114.28 115.76 3i20 n THR 91 Ca -0.09 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.89 3i20 n THR 91 Cb 0.51 -0.71 -0.01 0.00 -1.55 0.00 0.00 70.33 68.57 3i20 n THR 91 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3i20 n VAL 92 N -0.77 0.36 -3.27 1.08 0.31 -1.26 -4.38 118.33 110.40 3i20 n VAL 92 Ca 0.02 -0.19 -0.22 0.00 -0.01 0.00 0.00 64.34 63.94 3i20 n VAL 92 Cb 0.01 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.32 3i20 n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i20 n GLY 93 N 3.20 -0.18 0.19 2.92 0.00 -1.25 -4.54 105.19 105.53 3i20 n GLY 93 Ca 0.06 0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.29 3i20 n GLY 93 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i20 n GLN 94 N -2.60 -0.01 -1.99 1.61 7.27 -1.06 -4.29 117.38 116.31 3i20 n GLN 94 Ca -0.00 0.49 -0.01 0.00 0.07 0.00 0.00 57.00 57.55 3i20 n GLN 94 Cb 0.29 -0.98 -0.01 0.00 2.41 0.00 0.00 30.24 31.95 3i20 n GLN 94 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3i20 n SER 95 N -3.42 -2.73 -4.57 1.69 7.64 -1.23 -4.98 113.62 106.02 3i20 n SER 95 Ca 0.16 0.59 -0.39 0.00 1.01 0.00 0.00 58.87 60.24 3i20 n SER 95 Cb 0.63 -2.84 -0.11 0.00 -1.01 0.00 0.00 64.21 60.88 3i20 n SER 95 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i20 s ILE 96 N -0.47 5.30 0.23 0.44 1.01 0.54 -4.86 121.20 123.39 3i20 s ILE 96 Ca -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 3i20 s ILE 96 Cb 0.00 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.93 3i20 s ILE 96 CO 0.34 0.16 0.31 -0.24 0.00 0.00 0.00 174.94 175.51 3i20 n SER 97 N 5.08 0.18 0.15 3.58 2.88 -1.26 0.12 113.62 124.35 3i20 n SER 97 Ca -0.14 -1.21 0.06 0.00 -1.33 0.00 0.00 58.87 56.25 3i20 n SER 97 Cb 0.51 -0.22 0.06 0.00 -0.75 0.00 0.00 64.21 63.81 3i20 n SER 97 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3i20 h VAL 98 N -0.85 0.54 0.00 2.46 2.07 -1.91 -3.26 116.25 115.29 3i20 h VAL 98 Ca -0.10 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3i20 h VAL 98 Cb 0.32 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3i20 h VAL 98 CO 0.09 0.31 0.00 -1.84 0.02 0.00 0.00 177.57 176.14 3i20 n GLU 99 N -3.14 0.00 -0.34 1.57 0.28 -1.26 -1.71 120.64 116.05 3i20 n GLU 99 Ca 0.02 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.20 3i20 n GLU 99 Cb 0.67 0.00 0.35 0.00 1.43 0.00 0.00 31.44 33.89 3i20 n GLU 99 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3i20 n LEU 100 N -0.05 -0.02 -0.77 -1.84 7.94 -1.23 -0.14 117.00 120.89 3i20 n LEU 100 Ca 0.00 1.66 0.06 0.00 -1.11 0.00 0.00 56.01 56.62 3i20 n LEU 100 Cb 0.00 -0.65 0.17 0.00 0.53 0.00 0.00 43.42 43.48 3i20 n LEU 100 CO 0.00 -1.72 0.63 0.49 -1.11 0.00 0.00 177.39 175.68 3i20 n PHE 101 N -5.42 0.59 -0.09 1.96 3.01 -0.69 -4.53 117.46 112.28 3i20 n PHE 101 Ca 0.26 -0.27 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 3i20 n PHE 101 Cb 0.86 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 40.21 3i20 n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i20 h ALA 102 N 3.61 -0.72 -3.00 4.37 0.00 -0.68 -3.21 119.26 119.63 3i20 h ALA 102 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i20 h ALA 102 Cb 0.61 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3i20 h ALA 102 CO 0.03 -1.01 0.00 -3.47 0.00 0.00 0.00 179.25 174.80 3i20 n ASP 103 N -5.41 0.00 -0.09 0.00 2.03 -1.26 -4.92 116.55 106.90 3i20 n ASP 103 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 3i20 n ASP 103 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 3i20 n ASP 103 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3i20 n VAL 104 N 0.00 0.00 0.23 5.18 0.31 -1.21 -4.88 118.33 117.96 3i20 n VAL 104 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3i20 n VAL 104 Cb 0.00 -0.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 3i20 n VAL 104 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i20 n LYS 105 N 1.26 0.51 0.00 5.55 3.00 -1.26 -4.74 118.16 122.48 3i20 n LYS 105 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 3i20 n LYS 105 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.40 3i20 n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i20 n LYS 106 N -2.27 0.00 -0.22 1.64 4.01 -1.26 -3.39 118.16 116.68 3i20 n LYS 106 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 3i20 n LYS 106 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 3i20 n LYS 106 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3i20 n VAL 107 N 0.00 -0.92 -0.10 -0.18 0.31 -1.26 -4.03 118.33 112.16 3i20 n VAL 107 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 3i20 n VAL 107 Cb 0.00 -0.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 3i20 n VAL 107 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3i20 n ASP 108 N -0.02 1.74 -1.67 4.52 10.43 0.51 -4.07 116.55 127.99 3i20 n ASP 108 Ca 0.00 0.30 -0.01 0.00 2.57 0.00 0.00 54.79 57.65 3i20 n ASP 108 Cb 0.00 -0.70 -0.00 0.00 1.84 0.00 0.00 41.12 42.26 3i20 n ASP 108 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3i20 n VAL 109 N -4.18 -4.15 -4.09 2.53 0.31 -1.24 -2.03 118.33 105.49 3i20 n VAL 109 Ca -0.34 0.38 -0.26 0.00 -0.01 0.00 0.00 64.34 64.10 3i20 n VAL 109 Cb 0.69 -4.15 -0.06 0.00 -0.91 0.00 0.00 33.84 29.41 3i20 n VAL 109 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i20 s THR 110 N -0.16 4.42 0.00 2.52 2.01 1.10 -2.67 115.64 122.86 3i20 s THR 110 Ca -0.03 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.86 3i20 s THR 110 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3i20 s THR 110 CO 0.12 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 3i20 n GLY 111 N -0.34 2.30 2.65 4.40 0.00 -1.07 0.99 105.19 114.12 3i20 n GLY 111 Ca -0.08 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3i20 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i20 s THR 112 N -1.38 0.68 0.20 2.61 2.01 -1.24 -4.00 115.64 114.53 3i20 s THR 112 Ca 0.00 -1.53 -0.22 0.00 0.31 0.00 0.00 61.69 60.25 3i20 s THR 112 Cb 0.00 -1.51 -0.14 0.00 0.01 0.00 0.00 72.50 70.86 3i20 s THR 112 CO 0.00 -0.77 0.36 -1.54 -0.69 0.00 0.00 174.62 171.97 3i20 n SER 113 N 4.57 -1.32 -4.52 3.53 3.41 -0.84 -3.74 113.62 114.71 3i20 n SER 113 Ca 0.01 0.88 -0.30 0.00 -0.26 0.00 0.00 58.87 59.21 3i20 n SER 113 Cb 0.40 -0.78 0.22 0.00 -0.26 0.00 0.00 64.21 63.79 3i20 n SER 113 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3i20 n LYS 114 N 0.89 -1.72 -3.50 4.33 -0.00 -1.26 -1.69 118.16 115.20 3i20 n LYS 114 Ca 0.14 -0.46 -0.39 0.00 -0.00 0.00 0.00 58.31 57.60 3i20 n LYS 114 Cb 0.23 -2.19 -0.10 0.00 -0.00 0.00 0.00 35.03 32.98 3i20 n LYS 114 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3i20 s GLY 115 N -2.42 1.91 -0.06 2.58 0.00 -1.26 -1.79 107.32 106.29 3i20 s GLY 115 Ca 0.67 -1.04 0.20 0.00 0.00 0.00 0.00 44.72 44.55 3i20 s GLY 115 CO 0.63 0.81 0.43 0.28 0.00 0.00 0.00 173.10 175.25 3i20 n LYS 116 N 5.19 0.66 0.00 2.90 4.76 -0.78 -4.97 118.16 125.93 3i20 n LYS 116 Ca -0.11 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 3i20 n LYS 116 Cb 0.51 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3i20 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i20 n GLY 117 N 1.42 2.38 0.00 0.72 0.00 -0.86 -4.09 105.19 104.75 3i20 n GLY 117 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3i20 n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i20 n PHE 118 N 0.00 0.00 0.00 1.61 -1.74 -1.26 -4.08 117.46 111.99 3i20 n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3i20 n PHE 118 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 3i20 n PHE 118 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3i20 n ALA 119 N -0.82 0.00 0.00 1.98 0.00 -1.26 -3.53 120.51 116.88 3i20 n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i20 n ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i20 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 120 N 0.00 2.22 3.70 0.00 0.00 -1.26 -4.77 105.19 105.07 3i20 n GLY 120 Ca 0.00 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 3i20 n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i20 n THR 121 N 1.81 0.13 0.00 2.61 -2.24 -1.26 -1.41 114.28 113.91 3i20 n THR 121 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3i20 n THR 121 Cb 0.00 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 3i20 n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i20 n VAL 122 N 3.48 0.00 -0.06 2.28 0.31 -1.26 -4.77 118.33 118.31 3i20 n VAL 122 Ca 0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.31 3i20 n VAL 122 Cb 0.32 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.12 3i20 n VAL 122 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i20 h LYS 123 N 0.00 0.04 0.84 5.55 3.64 -1.81 -2.73 116.57 122.10 3i20 h LYS 123 Ca 0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3i20 h LYS 123 Cb 0.00 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3i20 h LYS 123 CO 0.00 1.04 -0.40 -0.09 -2.27 0.00 0.00 179.45 177.72 3i20 h ARG 124 N -0.89 -1.08 -0.27 1.90 2.43 -1.54 -3.35 114.38 111.57 3i20 h ARG 124 Ca -0.13 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3i20 h ARG 124 Cb 1.20 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.96 3i20 h ARG 124 CO -0.04 -0.71 -0.01 0.91 -1.51 0.00 0.00 179.97 178.60 3i20 n TRP 125 N -5.53 0.93 -4.26 2.20 7.02 -1.26 -4.96 117.44 111.58 3i20 n TRP 125 Ca -0.14 -1.11 -0.37 0.00 -1.02 0.00 0.00 57.50 54.86 3i20 n TRP 125 Cb 0.45 -0.36 -0.06 0.00 -2.42 0.00 0.00 31.31 28.92 3i20 n TRP 125 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i20 n ASN 126 N -0.77 -2.12 -4.66 -0.99 5.03 -1.03 -4.73 115.26 105.98 3i20 n ASN 126 Ca 0.25 -1.01 -0.32 0.00 0.87 0.00 0.00 54.58 54.36 3i20 n ASN 126 Cb 0.92 -1.83 0.14 0.00 -1.02 0.00 0.00 39.78 38.00 3i20 n ASN 126 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3i20 n PHE 127 N -3.98 0.89 -3.82 3.10 0.99 -1.26 -4.86 117.46 108.53 3i20 n PHE 127 Ca 0.10 0.39 -0.22 0.00 -0.00 0.00 0.00 57.45 57.72 3i20 n PHE 127 Cb 0.47 -2.04 -0.02 0.00 -1.00 0.00 0.00 39.48 36.89 3i20 n PHE 127 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3i20 s ARG 128 N -4.28 3.45 0.42 -1.08 0.52 -1.26 -4.45 118.95 112.27 3i20 s ARG 128 Ca 0.70 -0.64 -0.21 0.00 -0.52 0.00 0.00 55.73 55.05 3i20 s ARG 128 Cb -0.26 -2.84 -0.11 0.00 0.52 0.00 0.00 34.95 32.26 3i20 s ARG 128 CO 0.55 0.36 0.93 0.99 0.02 0.00 0.00 175.30 178.16 3i20 s THR 129 N -2.05 4.41 0.35 0.02 2.01 -1.26 -4.99 115.64 114.12 3i20 s THR 129 Ca 0.36 1.46 -0.06 0.00 0.31 0.00 0.00 61.69 63.76 3i20 s THR 129 Cb -0.09 -3.61 0.08 0.00 0.01 0.00 0.00 72.50 68.89 3i20 s THR 129 CO 0.31 -0.30 0.44 0.00 -0.69 0.00 0.00 174.62 174.38 3i20 n GLN 130 N -0.59 -0.64 -2.19 4.92 6.02 -0.81 -4.96 117.38 119.13 3i20 n GLN 130 Ca 0.07 -0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 55.95 3i20 n GLN 130 Cb 0.54 -0.48 -0.03 0.00 1.02 0.00 0.00 30.24 31.29 3i20 n GLN 130 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i20 s ASP 131 N -2.63 6.84 0.15 1.08 1.11 -1.26 -4.89 116.67 117.07 3i20 s ASP 131 Ca 0.25 2.26 -0.11 0.00 0.18 0.00 0.00 52.55 55.13 3i20 s ASP 131 Cb -0.01 -2.58 0.01 0.00 1.07 0.00 0.00 42.92 41.41 3i20 s ASP 131 CO 0.18 -0.67 1.57 0.00 1.18 0.00 0.00 175.17 177.43 3i20 h ALA 132 N 7.15 0.67 -3.00 5.23 0.00 -1.93 -3.42 119.26 123.96 3i20 h ALA 132 Ca -0.41 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3i20 h ALA 132 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i20 h ALA 132 CO 0.87 0.59 0.00 -2.37 0.00 0.00 0.00 179.25 178.34 3i20 n THR 133 N -4.20 0.00 -2.86 0.00 5.66 -1.26 -4.68 114.28 106.93 3i20 n THR 133 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 3i20 n THR 133 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 3i20 n THR 133 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3i20 n HIS 134 N 0.00 -1.62 0.00 1.09 -0.00 -1.26 -2.21 115.22 111.22 3i20 n HIS 134 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 3i20 n HIS 134 Cb 0.00 -3.41 0.00 0.00 -0.00 0.00 0.00 29.99 26.58 3i20 n HIS 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i20 n GLY 135 N -1.13 0.59 3.74 -1.41 0.00 -1.26 -5.05 105.19 100.68 3i20 n GLY 135 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3i20 n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i20 s ASN 136 N -2.35 6.46 -0.35 1.61 3.84 -0.94 -4.97 114.94 118.25 3i20 s ASN 136 Ca 0.00 2.83 0.03 0.00 0.21 0.00 0.00 52.86 55.93 3i20 s ASN 136 Cb 0.00 -2.62 0.10 0.00 -0.55 0.00 0.00 41.25 38.18 3i20 s ASN 136 CO 0.00 -0.86 0.07 -0.44 -2.79 0.00 0.00 177.10 173.08 3i20 s SER 137 N 0.65 4.82 -1.18 -4.21 0.01 -1.26 -4.83 113.70 107.70 3i20 s SER 137 Ca 0.65 -2.16 -0.05 0.00 1.31 0.00 0.00 55.95 55.70 3i20 s SER 137 Cb -0.46 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.12 3i20 s SER 137 CO 0.42 -0.40 1.02 0.18 0.41 0.00 0.00 173.24 174.87 3i20 n LEU 138 N 4.28 -3.48 -2.78 2.44 4.77 -1.26 -4.94 117.00 116.03 3i20 n LEU 138 Ca 0.03 -0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 55.47 3i20 n LEU 138 Cb 0.42 -2.83 0.01 0.00 -2.33 0.00 0.00 43.42 38.69 3i20 n LEU 138 CO 0.23 0.51 0.22 -0.44 -1.33 0.00 0.00 177.39 176.58 3i20 s SER 139 N -3.62 -1.13 -0.14 -1.43 0.01 -1.26 -4.98 113.70 101.15 3i20 s SER 139 Ca 0.35 -1.24 0.03 0.00 1.31 0.00 0.00 55.95 56.39 3i20 s SER 139 Cb -0.15 1.47 -0.10 0.00 0.21 0.00 0.00 66.02 67.45 3i20 s SER 139 CO 0.66 -0.05 -0.10 1.41 0.41 0.00 0.00 173.24 175.57 3i20 n HIS 140 N 3.03 0.00 0.56 2.43 8.25 -1.26 -4.66 115.22 123.57 3i20 n HIS 140 Ca 0.15 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.68 3i20 n HIS 140 Cb 0.59 -0.56 0.06 0.00 1.12 0.00 0.00 29.99 31.20 3i20 n HIS 140 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i20 n ARG 141 N -2.84 0.93 -1.03 -0.41 1.74 -1.26 -1.93 116.66 111.87 3i20 n ARG 141 Ca -0.24 -1.33 -0.29 0.00 -0.77 0.00 0.00 57.85 55.21 3i20 n ARG 141 Cb 0.79 -1.26 0.22 0.00 -1.02 0.00 0.00 32.46 31.19 3i20 n ARG 141 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i20 s VAL 142 N -1.15 1.77 -0.09 1.55 -7.23 -1.26 -4.76 120.40 109.23 3i20 s VAL 142 Ca 0.16 0.00 0.15 0.00 -1.81 0.00 0.00 61.98 60.48 3i20 s VAL 142 Cb 0.12 -2.43 -0.22 0.00 0.56 0.00 0.00 36.38 34.41 3i20 s VAL 142 CO 0.17 0.00 0.57 -0.81 -0.31 0.00 0.00 175.10 174.72 3i20 n PRO 143 N -4.61 0.64 -2.26 4.82 -0.05 -1.26 -4.86 135.00 127.42 3i20 n PRO 143 Ca 0.09 0.20 -0.00 0.00 -0.05 0.00 0.00 63.50 63.74 3i20 n PRO 143 Cb 0.58 -1.73 -0.00 0.00 -0.05 0.00 0.00 33.50 32.30 3i20 n PRO 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3i20 n GLY 144 N 1.55 -0.45 1.66 0.55 0.00 -1.26 -4.82 105.19 102.42 3i20 n GLY 144 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3i20 n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i20 n SER 145 N 2.10 -6.47 -0.14 1.61 2.88 -1.26 -5.02 113.62 107.32 3i20 n SER 145 Ca -0.01 1.01 0.04 0.00 -1.33 0.00 0.00 58.87 58.58 3i20 n SER 145 Cb 0.01 -3.54 0.05 0.00 -0.75 0.00 0.00 64.21 59.98 3i20 n SER 145 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i20 n ILE 146 N 1.14 0.95 -3.52 2.46 -5.35 -1.26 -5.08 119.36 108.71 3i20 n ILE 146 Ca 0.00 -1.09 -0.01 0.00 -0.27 0.00 0.00 62.75 61.38 3i20 n ILE 146 Cb 0.00 0.30 0.01 0.00 -1.74 0.00 0.00 39.64 38.21 3i20 n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i20 n GLY 147 N -0.66 1.18 0.00 3.28 0.00 -1.26 -4.66 105.19 103.07 3i20 n GLY 147 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i20 n GLY 147 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i20 n GLN 148 N -0.18 0.00 0.00 1.61 3.00 -1.26 -5.16 117.38 115.39 3i20 n GLN 148 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3i20 n GLN 148 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.39 3i20 n GLN 148 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3i20 n ASN 149 N 0.00 0.00 -0.08 1.08 2.85 -1.26 -4.99 115.26 112.86 3i20 n ASN 149 Ca 0.00 0.00 0.26 0.00 -0.11 0.00 0.00 54.58 54.73 3i20 n ASN 149 Cb 0.00 0.00 0.66 0.00 1.24 0.00 0.00 39.78 41.68 3i20 n ASN 149 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 3i20 h GLN 150 N 0.00 0.00 0.00 1.20 4.15 -2.01 -1.58 115.11 116.87 3i20 h GLN 150 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3i20 h GLN 150 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3i20 h GLN 150 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 178.83 179.31 3i20 n THR 151 N -3.63 0.00 -0.35 2.39 -1.04 -1.26 -2.89 114.28 107.50 3i20 n THR 151 Ca 0.16 0.99 0.05 0.00 -2.04 0.00 0.00 64.05 63.21 3i20 n THR 151 Cb 1.03 -1.97 0.21 0.00 -1.82 0.00 0.00 70.33 67.78 3i20 n THR 151 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3i20 h PRO 152 N 0.00 0.97 -3.33 -2.82 0.11 -1.91 -3.44 132.00 121.57 3i20 h PRO 152 Ca 0.00 -0.06 -0.39 0.00 0.11 0.00 0.00 66.00 65.66 3i20 h PRO 152 Cb 0.00 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 30.90 3i20 h PRO 152 CO 0.00 0.64 -0.53 0.41 -0.21 0.00 0.00 178.00 178.31 3i20 n GLY 153 N -1.34 -0.45 3.60 -0.55 0.00 -0.62 -4.91 105.19 100.91 3i20 n GLY 153 Ca 0.17 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 3i20 n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i20 s LYS 154 N -5.22 0.19 -0.13 1.61 -2.85 -1.26 -5.07 119.74 107.01 3i20 s LYS 154 Ca 0.10 -0.10 -0.04 0.00 -1.00 0.00 0.00 55.97 54.93 3i20 s LYS 154 Cb -0.05 0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 3i20 s LYS 154 CO 0.13 -0.09 0.03 0.08 0.10 0.00 0.00 175.35 175.60 3i20 s VAL 155 N -2.22 4.50 0.29 1.79 1.01 -1.26 -4.72 120.40 119.80 3i20 s VAL 155 Ca 0.13 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 3i20 s VAL 155 Cb 0.04 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 3i20 s VAL 155 CO -0.05 0.54 0.97 -0.36 0.00 0.00 0.00 175.10 176.21 3i20 s PHE 156 N -0.28 3.74 0.62 5.22 0.08 -1.26 -5.00 117.98 121.10 3i20 s PHE 156 Ca 0.07 1.81 -0.18 0.00 0.12 0.00 0.00 56.93 58.75 3i20 s PHE 156 Cb -0.12 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 3i20 s PHE 156 CO 0.02 0.11 0.95 1.63 -0.10 0.00 0.00 175.22 177.84 3i20 n LYS 157 N 0.92 0.82 -0.95 0.44 5.02 -1.26 -2.18 118.16 120.97 3i20 n LYS 157 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3i20 n LYS 157 Cb 0.48 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 3i20 n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i20 n GLY 158 N 1.29 0.87 3.66 0.72 0.00 -1.26 -4.98 105.19 105.49 3i20 n GLY 158 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 3i20 n GLY 158 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i20 n LYS 159 N -2.22 1.74 -1.87 1.61 0.00 -0.93 -4.81 118.16 111.69 3i20 n LYS 159 Ca 0.00 0.63 -0.40 0.00 0.00 0.00 0.00 58.31 58.54 3i20 n LYS 159 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 35.03 32.62 3i20 n LYS 159 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i20 s LYS 160 N 2.23 2.80 0.22 1.64 1.02 -1.26 -4.93 119.74 121.47 3i20 s LYS 160 Ca 0.88 1.22 0.03 0.00 0.02 0.00 0.00 55.97 58.11 3i20 s LYS 160 Cb -0.82 -4.37 -0.05 0.00 -0.52 0.00 0.00 37.83 32.07 3i20 s LYS 160 CO 0.49 -2.49 0.02 -1.64 -0.92 0.00 0.00 175.35 170.81 3i20 s MET 161 N 6.78 1.30 0.57 1.68 -1.94 -1.26 -5.01 119.30 121.42 3i20 s MET 161 Ca 0.82 -1.66 -0.18 0.00 -1.71 0.00 0.00 55.69 52.95 3i20 s MET 161 Cb -0.19 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 36.16 3i20 s MET 161 CO 0.28 -0.15 1.12 0.00 -0.01 0.00 0.00 175.02 176.25 3i20 s ALA 162 N -3.56 2.64 0.00 3.03 0.00 -1.26 -4.72 121.76 117.90 3i20 s ALA 162 Ca 0.30 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3i20 s ALA 162 Cb 0.06 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3i20 s ALA 162 CO 0.09 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3i20 n GLY 163 N -0.08 2.86 1.48 0.00 0.00 -1.23 -4.95 105.19 103.27 3i20 n GLY 163 Ca 0.11 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3i20 n GLY 163 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i20 n GLN 164 N -0.74 0.00 -4.98 1.61 -0.06 -1.26 -4.61 117.38 107.35 3i20 n GLN 164 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.72 3i20 n GLN 164 Cb 0.00 -0.56 -0.16 0.00 -4.06 0.00 0.00 30.24 25.46 3i20 n GLN 164 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 3i20 s MET 165 N -0.17 2.17 0.05 3.69 -2.45 -1.26 -4.81 119.30 116.52 3i20 s MET 165 Ca 0.35 -0.71 0.00 0.00 -1.25 0.00 0.00 55.69 54.08 3i20 s MET 165 Cb -0.49 -1.81 0.00 0.00 1.25 0.00 0.00 34.83 33.78 3i20 s MET 165 CO 0.24 0.25 0.00 0.41 1.05 0.00 0.00 175.02 176.97 3i20 n GLY 166 N 3.22 -1.96 2.05 2.11 0.00 -1.26 -1.86 105.19 107.49 3i20 n GLY 166 Ca -0.19 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 3i20 n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i20 n ASN 167 N -2.57 -2.00 -4.52 1.61 5.15 -0.68 -4.56 115.26 107.69 3i20 n ASN 167 Ca -0.00 0.01 -0.30 0.00 -0.60 0.00 0.00 54.58 53.69 3i20 n ASN 167 Cb 0.07 -0.95 -0.06 0.00 -0.53 0.00 0.00 39.78 38.32 3i20 n ASN 167 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3i20 n GLU 168 N -1.69 0.84 0.00 1.20 0.28 -1.26 -4.87 120.64 115.14 3i20 n GLU 168 Ca -0.02 -3.43 0.00 0.00 -0.16 0.00 0.00 57.16 53.55 3i20 n GLU 168 Cb 0.39 0.85 0.00 0.00 1.43 0.00 0.00 31.44 34.12 3i20 n GLU 168 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3i20 n ARG 169 N -1.24 0.00 -1.82 3.44 0.63 -1.26 -1.99 116.66 114.41 3i20 n ARG 169 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3i20 n ARG 169 Cb 0.60 -0.37 0.00 0.00 0.45 0.00 0.00 32.46 33.14 3i20 n ARG 169 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3i20 n VAL 170 N 0.00-10.05 -3.40 5.15 0.24 -1.26 -3.57 118.33 105.44 3i20 n VAL 170 Ca 0.00 2.28 -0.19 0.00 -2.04 0.00 0.00 64.34 64.40 3i20 n VAL 170 Cb 0.00 -4.94 0.03 0.00 -1.47 0.00 0.00 33.84 27.46 3i20 n VAL 170 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i20 n THR 171 N 1.29 0.00 0.00 3.34 -2.24 -1.26 -2.60 114.28 112.81 3i20 n THR 171 Ca 0.00 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 3i20 n THR 171 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3i20 n THR 171 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i20 n VAL 172 N -1.81 0.00 -0.50 2.28 0.31 -1.09 -4.97 118.33 112.54 3i20 n VAL 172 Ca 0.06 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.44 3i20 n VAL 172 Cb 0.50 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 32.94 3i20 n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i20 n GLN 173 N -2.26 -1.20 0.00 5.55 6.02 -0.86 -4.92 117.38 119.71 3i20 n GLN 173 Ca 0.00 0.97 0.00 0.00 -0.01 0.00 0.00 57.00 57.96 3i20 n GLN 173 Cb 0.31 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3i20 n GLN 173 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i20 n SER 174 N -2.60 0.00 -1.72 1.08 2.88 -1.26 -4.94 113.62 107.06 3i20 n SER 174 Ca -0.03 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 3i20 n SER 174 Cb 0.22 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.67 3i20 n SER 174 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i20 n LEU 175 N 0.00 -3.80 -4.73 2.46 4.77 -1.26 -4.03 117.00 110.41 3i20 n LEU 175 Ca 0.00 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.63 3i20 n LEU 175 Cb 0.00 -1.92 -0.03 0.00 -2.33 0.00 0.00 43.42 39.13 3i20 n LEU 175 CO 0.00 -1.39 0.91 -1.81 -1.33 0.00 0.00 177.39 173.77 3i20 s ASP 176 N -0.25 7.04 -0.27 -1.43 -0.00 -1.26 -4.33 116.67 116.16 3i20 s ASP 176 Ca -0.05 2.18 -0.29 0.00 -0.00 0.00 0.00 52.55 54.40 3i20 s ASP 176 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 3i20 s ASP 176 CO 0.14 -0.44 1.69 0.68 -0.00 0.00 0.00 175.17 177.23 3i20 s VAL 177 N 0.45 3.60 -0.13 -1.27 -7.23 -1.22 0.82 120.40 115.43 3i20 s VAL 177 Ca 0.56 0.65 0.17 0.00 -1.81 0.00 0.00 61.98 61.55 3i20 s VAL 177 Cb -0.32 -3.69 -0.11 0.00 0.56 0.00 0.00 36.38 32.82 3i20 s VAL 177 CO 0.34 -0.36 0.91 0.58 -0.31 0.00 0.00 175.10 176.26 3i20 h VAL 178 N 6.42 0.52 -1.67 1.32 2.07 0.16 -3.47 116.25 121.60 3i20 h VAL 178 Ca -0.34 -1.97 0.07 0.00 0.82 0.00 0.00 66.70 65.28 3i20 h VAL 178 Cb 1.16 2.05 -0.25 0.00 -1.52 0.00 0.00 31.29 32.73 3i20 h VAL 178 CO 1.02 0.30 0.32 -0.60 0.02 0.00 0.00 177.57 178.62 3i20 s ARG 179 N -2.95 0.50 -0.06 1.57 3.52 -1.08 -4.95 118.95 115.50 3i20 s ARG 179 Ca -0.02 0.77 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 3i20 s ARG 179 Cb 0.09 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3i20 s ARG 179 CO 0.80 -0.09 -0.10 0.08 -0.81 0.00 0.00 175.30 175.18 3i20 s VAL 180 N 1.04 3.39 -0.29 7.11 1.01 -1.26 -0.57 120.40 130.83 3i20 s VAL 180 Ca -0.05 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3i20 s VAL 180 Cb -0.04 -2.36 0.18 0.00 0.00 0.00 0.00 36.38 34.16 3i20 s VAL 180 CO -0.13 0.59 0.52 -0.62 0.00 0.00 0.00 175.10 175.46 3i20 s ASP 181 N -0.73 -0.80 0.29 3.32 2.15 -1.25 -4.97 116.67 114.69 3i20 s ASP 181 Ca 0.11 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.08 3i20 s ASP 181 Cb -0.11 1.66 0.00 0.00 -0.30 0.00 0.00 42.92 44.17 3i20 s ASP 181 CO 0.01 -0.32 0.00 0.00 -0.17 0.00 0.00 175.17 174.69 3i20 n ALA 182 N 5.39 0.00 -0.87 3.66 0.00 -1.26 0.67 120.51 128.10 3i20 n ALA 182 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3i20 n ALA 182 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 3i20 n ALA 182 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i20 n GLU 183 N -0.46 -1.28 0.00 0.00 -0.00 -1.26 -3.44 120.64 114.20 3i20 n GLU 183 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.16 57.32 3i20 n GLU 183 Cb 0.00 -3.92 0.00 0.00 -0.00 0.00 0.00 31.44 27.52 3i20 n GLU 183 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i20 n ARG 184 N -0.89 0.00 -3.73 3.44 0.63 -1.25 -5.05 116.66 109.81 3i20 n ARG 184 Ca -0.02 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.58 3i20 n ARG 184 Cb 0.09 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.04 3i20 n ARG 184 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i20 n ASN 185 N 0.00 -4.91 -4.81 6.15 3.02 -0.84 -4.93 115.26 108.94 3i20 n ASN 185 Ca 0.00 -1.04 -0.27 0.00 -0.03 0.00 0.00 54.58 53.24 3i20 n ASN 185 Cb 0.07 -3.22 -0.05 0.00 -0.61 0.00 0.00 39.78 35.97 3i20 n ASN 185 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i20 s LEU 186 N -6.59 2.75 0.00 3.41 1.02 0.21 -2.69 118.68 116.79 3i20 s LEU 186 Ca 0.45 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 53.31 3i20 s LEU 186 Cb -0.17 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.88 3i20 s LEU 186 CO 0.87 -0.84 0.00 -0.11 0.02 0.00 0.00 176.35 176.29 3i20 n LEU 187 N -1.45 0.00 -4.55 1.79 7.94 -0.96 -3.91 117.00 115.86 3i20 n LEU 187 Ca -0.06 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.48 3i20 n LEU 187 Cb 0.65 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.49 3i20 n LEU 187 CO 0.41 0.00 -0.23 -0.76 -1.11 0.00 0.00 177.39 175.70 3i20 s LEU 188 N 0.00 3.76 0.43 -1.96 1.43 0.27 -1.37 118.68 121.24 3i20 s LEU 188 Ca 0.00 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 3i20 s LEU 188 Cb 0.00 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3i20 s LEU 188 CO 0.00 0.02 0.32 0.68 0.23 0.00 0.00 176.35 177.60 3i20 s VAL 189 N 1.31 2.46 -0.09 -1.59 -7.23 -1.15 0.84 120.40 114.96 3i20 s VAL 189 Ca 0.06 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3i20 s VAL 189 Cb -0.15 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.87 3i20 s VAL 189 CO 0.05 0.00 0.37 1.17 -0.31 0.00 0.00 175.10 176.38 3i20 n LYS 190 N -1.48 0.38 -1.40 4.82 3.00 0.24 -2.22 118.16 121.51 3i20 n LYS 190 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 3i20 n LYS 190 Cb 0.63 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.36 3i20 n LYS 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i20 n GLY 191 N 0.76 -4.58 0.00 3.14 0.00 -1.14 -4.77 105.19 98.60 3i20 n GLY 191 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3i20 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 n ALA 192 N -0.03 0.00 -2.61 4.61 0.00 -1.26 -4.85 120.51 116.36 3i20 n ALA 192 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3i20 n ALA 192 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3i20 n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i20 s VAL 193 N -1.64 3.48 0.66 0.00 -7.23 -1.26 -5.04 120.40 109.38 3i20 s VAL 193 Ca 0.00 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 3i20 s VAL 193 Cb 0.00 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 3i20 s VAL 193 CO 0.00 -0.02 1.05 -2.16 -0.31 0.00 0.00 175.10 173.66 3i20 s PRO 194 N -2.62 3.13 0.00 4.82 0.04 -1.26 -4.96 135.00 134.15 3i20 s PRO 194 Ca 0.25 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3i20 s PRO 194 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3i20 s PRO 194 CO 0.16 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.66 3i20 n GLY 195 N -1.98 2.18 3.49 0.56 0.00 -1.25 -4.28 105.19 103.91 3i20 n GLY 195 Ca 0.07 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 3i20 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 s ALA 196 N -1.23 -0.07 0.67 4.61 0.00 -1.26 -4.85 121.76 119.63 3i20 s ALA 196 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.21 3i20 s ALA 196 Cb 0.00 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.08 3i20 s ALA 196 CO 0.00 -3.84 1.20 0.99 0.00 0.00 0.00 175.76 174.11 3i20 s THR 197 N -2.64 2.54 0.00 0.00 2.01 -1.26 -2.77 115.64 113.53 3i20 s THR 197 Ca 0.69 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.97 3i20 s THR 197 Cb -0.17 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.41 3i20 s THR 197 CO 0.59 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3i20 n GLY 198 N 0.32 0.43 3.90 4.40 0.00 0.18 -4.93 105.19 109.48 3i20 n GLY 198 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3i20 n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i20 s SER 199 N -2.35 6.49 0.61 1.61 1.04 -1.11 -4.73 113.70 115.26 3i20 s SER 199 Ca 0.00 0.73 -0.18 0.00 0.48 0.00 0.00 55.95 56.97 3i20 s SER 199 Cb 0.00 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.94 3i20 s SER 199 CO 0.00 -0.13 1.23 -1.81 0.98 0.00 0.00 173.24 173.51 3i20 s ASP 200 N -2.90 5.02 -0.15 7.02 1.01 -1.26 -1.86 116.67 123.56 3i20 s ASP 200 Ca 0.44 2.44 -0.08 0.00 0.71 0.00 0.00 52.55 56.05 3i20 s ASP 200 Cb -0.11 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.27 3i20 s ASP 200 CO 0.27 -1.71 0.35 -0.22 0.21 0.00 0.00 175.17 174.07 3i20 s LEU 201 N -4.19 0.16 -0.25 1.23 2.96 -0.35 -4.36 118.68 113.89 3i20 s LEU 201 Ca 0.78 0.76 -0.00 0.00 -0.22 0.00 0.00 54.13 55.45 3i20 s LEU 201 Cb -0.32 1.14 0.03 0.00 0.50 0.00 0.00 46.19 47.55 3i20 s LEU 201 CO 0.35 -0.18 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.49 3i20 s ILE 202 N 1.19 2.64 -0.21 6.68 1.01 0.28 0.16 121.20 132.95 3i20 s ILE 202 Ca -0.08 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.41 3i20 s ILE 202 Cb -0.08 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 40.06 3i20 s ILE 202 CO -0.10 0.17 -0.12 0.54 0.00 0.00 0.00 174.94 175.44 3i20 s VAL 203 N 1.27 1.79 0.25 2.92 0.11 -0.84 0.35 120.40 126.25 3i20 s VAL 203 Ca -0.02 -1.11 0.08 0.00 -2.93 0.00 0.00 61.98 58.00 3i20 s VAL 203 Cb -0.17 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 3i20 s VAL 203 CO -0.05 0.18 0.11 -0.54 -3.33 0.00 0.00 175.10 171.47 3i20 s LYS 204 N 1.33 2.67 0.15 1.54 1.02 -1.26 -1.63 119.74 123.56 3i20 s LYS 204 Ca -0.02 -1.19 -0.31 0.00 0.02 0.00 0.00 55.97 54.46 3i20 s LYS 204 Cb -0.16 -2.40 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 3i20 s LYS 204 CO -0.08 0.39 1.54 -1.25 -0.92 0.00 0.00 175.35 175.03 3i20 s PRO 205 N -3.74 4.23 0.50 -1.68 0.04 -1.26 0.19 135.00 133.28 3i20 s PRO 205 Ca 0.32 2.31 -0.22 0.00 0.04 0.00 0.00 61.00 63.45 3i20 s PRO 205 Cb -0.07 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 3i20 s PRO 205 CO 0.23 -0.58 0.96 0.00 0.04 0.00 0.00 177.00 177.65 3i20 n ALA 206 N 4.06 0.12 0.77 8.56 0.00 -1.26 -4.59 120.51 128.17 3i20 n ALA 206 Ca 0.14 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.81 3i20 n ALA 206 Cb 0.39 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 17.78 3i20 n ALA 206 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i20 n VAL 207 N -1.04 0.07 -2.83 0.00 0.24 -1.26 -4.68 118.33 108.82 3i20 n VAL 207 Ca 0.11 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.34 62.06 3i20 n VAL 207 Cb 0.43 0.45 0.02 0.00 -1.47 0.00 0.00 33.84 33.28 3i20 n VAL 207 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3i20 s LYS 208 N -3.11 2.84 0.00 7.34 1.02 -1.26 -5.17 119.74 121.40 3i20 s LYS 208 Ca 0.06 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3i20 s LYS 208 Cb 0.16 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 3i20 s LYS 208 CO 0.80 -0.46 0.37 0.00 -0.92 0.00 0.00 175.35 175.14