#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkr s ARG 4 N 0.00 3.53 -0.03 -4.13 0.52 -1.26 -5.06 118.95 112.52 3dkr s ARG 4 Ca 0.00 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 3dkr s ARG 4 Cb 0.00 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.67 3dkr s ARG 4 CO 0.00 -0.41 1.42 0.15 0.02 0.00 0.00 175.30 176.48 3dkr s LYS 5 N 1.71 4.26 0.49 3.54 3.01 -1.26 -5.00 119.74 126.49 3dkr s LYS 5 Ca 0.06 1.96 -0.22 0.00 -1.01 0.00 0.00 55.97 56.76 3dkr s LYS 5 Cb -0.17 -3.66 -0.06 0.00 -1.01 0.00 0.00 37.83 32.93 3dkr s LYS 5 CO 0.10 -0.63 1.24 -1.25 0.51 0.00 0.00 175.35 175.31 3dkr s PRO 6 N 2.77 3.52 0.14 -1.68 0.04 -1.26 -5.03 135.00 133.49 3dkr s PRO 6 Ca 0.64 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.69 3dkr s PRO 6 Cb -0.30 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 3dkr s PRO 6 CO 0.25 -0.80 -0.05 -0.65 0.04 0.00 0.00 177.00 175.80 3dkr s GLN 7 N -2.79 2.29 0.73 4.56 -1.52 -1.26 -4.94 119.66 116.73 3dkr s GLN 7 Ca 0.67 -1.06 -0.15 0.00 -1.95 0.00 0.00 55.36 52.86 3dkr s GLN 7 Cb -0.33 -2.34 0.04 0.00 -0.22 0.00 0.00 33.01 30.16 3dkr s GLN 7 CO 0.39 0.48 1.23 -1.25 -0.25 0.00 0.00 175.29 175.90 3dkr s PRO 8 N -2.58 2.12 0.10 2.91 0.04 -1.26 -4.75 135.00 131.57 3dkr s PRO 8 Ca 0.25 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 3dkr s PRO 8 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3dkr s PRO 8 CO 0.16 -1.87 0.21 -0.59 0.04 0.00 0.00 177.00 174.95 3dkr s PHE 9 N -1.85 0.14 -0.09 0.56 -0.71 -0.77 -5.01 117.98 110.26 3dkr s PHE 9 Ca 0.77 -0.56 -0.05 0.00 -1.04 0.00 0.00 56.93 56.04 3dkr s PHE 9 Cb -0.32 -0.04 0.03 0.00 -1.21 0.00 0.00 43.02 41.49 3dkr s PHE 9 CO 0.45 -0.57 0.21 -2.00 -1.34 0.00 0.00 175.22 171.97 3dkr s GLU 10 N -3.86 0.19 -0.13 1.99 2.12 -1.26 -1.22 118.70 116.53 3dkr s GLU 10 Ca 0.06 0.40 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 3dkr s GLU 10 Cb 0.05 -0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.37 3dkr s GLU 10 CO -0.10 -0.11 -0.07 0.71 -0.54 0.00 0.00 175.26 175.14 3dkr s TYR 11 N 0.80 2.94 0.34 5.30 2.02 0.32 -4.97 117.35 124.10 3dkr s TYR 11 Ca -0.06 -0.34 -0.27 0.00 -0.37 0.00 0.00 57.07 56.04 3dkr s TYR 11 Cb -0.07 -1.87 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 3dkr s TYR 11 CO -0.05 -0.02 1.06 -1.21 -1.57 0.00 0.00 175.55 173.76 3dkr s GLU 12 N 0.12 4.41 0.00 -0.62 0.41 -1.26 -0.98 118.70 120.78 3dkr s GLU 12 Ca -0.03 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.15 3dkr s GLU 12 Cb -0.14 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 3dkr s GLU 12 CO 0.03 0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 3dkr n GLY 13 N 0.76 5.61 0.09 -1.39 0.00 -1.26 -4.47 105.19 104.52 3dkr n GLY 13 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3dkr n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dkr n THR 14 N 0.00 0.00 -0.01 2.61 -2.24 -1.26 -4.88 114.28 108.51 3dkr n THR 14 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3dkr n THR 14 Cb 0.00 -0.38 -0.14 0.00 -2.10 0.00 0.00 70.33 67.71 3dkr n THR 14 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dkr n ASP 15 N -1.10 1.64 -4.14 3.42 5.75 -1.26 -4.64 116.55 116.22 3dkr n ASP 15 Ca 0.00 0.29 -0.26 0.00 -0.01 0.00 0.00 54.79 54.81 3dkr n ASP 15 Cb 0.00 -0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 39.38 3dkr n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3dkr s THR 16 N -2.57 1.44 0.17 2.12 2.01 -1.26 -1.11 115.64 116.43 3dkr s THR 16 Ca -0.16 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.21 3dkr s THR 16 Cb 0.07 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3dkr s THR 16 CO 0.79 0.41 -0.21 -0.83 -0.69 0.00 0.00 174.62 174.10 3dkr s GLY 17 N -0.01 1.50 -0.06 4.40 0.00 -0.23 -1.12 107.32 111.80 3dkr s GLY 17 Ca -0.03 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.19 3dkr s GLY 17 CO 0.02 -1.56 -0.08 0.14 0.00 0.00 0.00 173.10 171.62 3dkr s VAL 18 N -1.79 0.83 -0.19 1.40 1.01 0.18 -1.63 120.40 120.22 3dkr s VAL 18 Ca 0.17 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3dkr s VAL 18 Cb -0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3dkr s VAL 18 CO 0.08 0.29 0.27 -0.69 0.00 0.00 0.00 175.10 175.04 3dkr s VAL 19 N 0.81 5.31 -0.18 2.92 1.01 0.06 -0.85 120.40 129.49 3dkr s VAL 19 Ca -0.12 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3dkr s VAL 19 Cb -0.15 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3dkr s VAL 19 CO 0.02 0.37 -0.17 -0.76 0.00 0.00 0.00 175.10 174.55 3dkr s LEU 20 N 0.68 2.28 -0.21 3.92 1.43 -0.58 -1.13 118.68 125.06 3dkr s LEU 20 Ca 0.14 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3dkr s LEU 20 Cb -0.13 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3dkr s LEU 20 CO 0.04 0.01 -0.02 -0.76 0.23 0.00 0.00 176.35 175.85 3dkr s LEU 21 N 1.26 3.09 0.00 1.79 1.43 0.12 -4.14 118.68 122.23 3dkr s LEU 21 Ca 0.04 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3dkr s LEU 21 Cb -0.14 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.41 3dkr s LEU 21 CO -0.10 0.02 0.68 0.00 0.23 0.00 0.00 176.35 177.18 3dkr n HIS 22 N 4.55 -3.93 -2.80 0.29 1.44 -1.26 -1.81 115.22 111.70 3dkr n HIS 22 Ca -0.17 -0.63 -0.28 0.00 -2.01 0.00 0.00 57.72 54.62 3dkr n HIS 22 Cb 0.51 -0.52 -0.01 0.00 0.12 0.00 0.00 29.99 30.09 3dkr n HIS 22 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dkr s ALA 23 N -3.90 3.44 0.18 1.59 0.00 -1.26 -1.73 121.76 120.08 3dkr s ALA 23 Ca 0.39 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 3dkr s ALA 23 Cb -0.01 -2.54 -0.10 0.00 0.00 0.00 0.00 23.12 20.47 3dkr s ALA 23 CO 0.27 -0.21 1.51 -0.47 0.00 0.00 0.00 175.76 176.86 3dkr s TYR 24 N -2.58 3.07 0.00 0.00 5.04 -1.26 -0.51 117.35 121.11 3dkr s TYR 24 Ca 0.47 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 3dkr s TYR 24 Cb -0.10 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.34 3dkr s TYR 24 CO 0.40 -3.07 0.00 0.25 -1.34 0.00 0.00 175.55 171.79 3dkr n THR 25 N 3.49 0.00 -0.39 4.34 -2.24 -1.26 -4.99 114.28 113.23 3dkr n THR 25 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3dkr n THR 25 Cb 0.39 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3dkr n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dkr n GLY 26 N -2.00 1.09 3.89 3.38 0.00 0.33 -4.90 105.19 106.98 3dkr n GLY 26 Ca 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.39 3dkr n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dkr s SER 27 N -1.00 -0.01 0.60 1.61 1.04 -1.26 -4.28 113.70 110.40 3dkr s SER 27 Ca 0.00 -0.21 0.29 0.00 0.48 0.00 0.00 55.95 56.50 3dkr s SER 27 Cb 0.00 0.17 1.47 0.00 0.10 0.00 0.00 66.02 67.76 3dkr s SER 27 CO 0.00 -0.33 1.88 -0.65 0.98 0.00 0.00 173.24 175.11 3dkr h PRO 28 N 2.00 0.00 -0.26 4.02 0.11 -1.85 -1.08 132.00 134.94 3dkr h PRO 28 Ca -0.25 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.94 3dkr h PRO 28 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3dkr h PRO 28 CO 0.31 0.00 0.22 -0.91 -0.21 0.00 0.00 178.00 177.41 3dkr h ASN 29 N 0.00 0.00 -0.24 -2.05 -0.26 -1.94 -0.10 115.58 110.99 3dkr h ASN 29 Ca 0.19 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 56.00 3dkr h ASN 29 Cb 1.16 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 3dkr h ASN 29 CO -0.00 0.00 0.26 0.44 -1.06 0.00 0.00 177.43 177.07 3dkr h ASP 30 N 0.00 0.00 -0.18 5.81 3.32 -1.59 -2.64 116.42 121.13 3dkr h ASP 30 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dkr h ASP 30 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3dkr h ASP 30 CO -0.00 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.75 3dkr n MET 31 N -3.77 1.94 -0.03 3.56 2.81 -0.05 -4.54 117.12 117.05 3dkr n MET 31 Ca 0.03 -1.61 -0.09 0.00 -1.81 0.00 0.00 57.70 54.22 3dkr n MET 31 Cb 0.40 -1.20 -0.03 0.00 -0.71 0.00 0.00 33.22 31.68 3dkr n MET 31 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3dkr h ASN 32 N 1.66 -0.28 -0.32 7.83 2.35 -1.46 0.14 115.58 125.51 3dkr h ASN 32 Ca 0.00 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3dkr h ASN 32 Cb 0.57 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3dkr h ASN 32 CO 0.00 -0.11 0.09 -0.26 -1.65 0.00 0.00 177.43 175.50 3dkr h PHE 33 N -0.06 0.52 -0.05 1.19 0.04 -1.83 -1.96 116.94 114.79 3dkr h PHE 33 Ca 0.09 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3dkr h PHE 33 Cb 0.21 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3dkr h PHE 33 CO -0.23 0.53 0.03 1.98 -0.60 0.00 0.00 178.31 180.02 3dkr h MET 34 N 0.35 0.08 -0.73 1.51 4.05 -1.71 -0.46 114.93 118.01 3dkr h MET 34 Ca 0.10 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.60 3dkr h MET 34 Cb 0.26 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.98 3dkr h MET 34 CO -0.00 0.16 0.39 0.00 0.23 0.00 0.00 176.91 177.68 3dkr h ALA 35 N 0.92 1.02 -0.39 0.39 0.00 -0.67 0.44 119.26 120.96 3dkr h ALA 35 Ca 0.02 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3dkr h ALA 35 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dkr h ALA 35 CO -0.00 0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.89 3dkr h ARG 36 N 0.67 0.94 -0.69 0.00 2.47 -1.10 -0.02 114.38 116.65 3dkr h ARG 36 Ca 0.35 -0.48 0.02 0.00 -1.26 0.00 0.00 59.98 58.61 3dkr h ARG 36 Cb 0.33 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 3dkr h ARG 36 CO -0.25 1.14 0.44 0.00 0.56 0.00 0.00 179.97 181.86 3dkr h ALA 37 N 0.80 0.90 -0.63 0.04 0.00 -0.42 -0.18 119.26 119.76 3dkr h ALA 37 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3dkr h ALA 37 Cb 0.96 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3dkr h ALA 37 CO 0.09 0.23 0.08 -0.07 0.00 0.00 0.00 179.25 179.58 3dkr h LEU 38 N 0.87 1.02 -0.77 0.00 3.38 -0.70 -2.62 115.31 116.48 3dkr h LEU 38 Ca 0.27 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dkr h LEU 38 Cb -0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3dkr h LEU 38 CO -0.10 1.03 0.51 -0.61 0.09 0.00 0.00 178.44 179.37 3dkr h GLN 39 N 0.97 1.00 0.00 1.13 4.15 -0.47 -1.15 115.11 120.73 3dkr h GLN 39 Ca 0.19 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 3dkr h GLN 39 Cb 0.46 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 3dkr h GLN 39 CO 0.02 0.66 -0.09 0.00 -1.93 0.00 0.00 178.83 177.48 3dkr h ARG 40 N 1.03 0.00 -0.58 1.69 3.08 -0.69 -0.43 114.38 118.48 3dkr h ARG 40 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3dkr h ARG 40 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3dkr h ARG 40 CO -0.08 0.09 0.00 0.43 -1.07 0.00 0.00 179.97 179.35 3dkr n SER 41 N -3.84 3.13 0.00 7.04 7.64 -0.68 -4.94 113.62 121.97 3dkr n SER 41 Ca -0.02 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.86 3dkr n SER 41 Cb 0.19 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3dkr n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dkr n GLY 42 N 1.43 0.64 3.84 0.23 0.00 -0.17 -5.06 105.19 106.09 3dkr n GLY 42 Ca 0.20 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3dkr n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dkr s TYR 43 N -2.00 3.60 0.50 1.61 2.02 -0.52 -4.26 117.35 118.30 3dkr s TYR 43 Ca 0.00 1.17 -0.19 0.00 -0.37 0.00 0.00 57.07 57.68 3dkr s TYR 43 Cb 0.00 -2.46 -0.08 0.00 -0.40 0.00 0.00 41.96 39.02 3dkr s TYR 43 CO 0.00 0.38 1.02 0.20 -1.57 0.00 0.00 175.55 175.57 3dkr s GLY 44 N -1.74 2.38 -0.05 0.71 0.00 -0.28 -4.04 107.32 104.29 3dkr s GLY 44 Ca 0.41 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.56 3dkr s GLY 44 CO 0.20 0.79 0.14 0.14 0.00 0.00 0.00 173.10 174.37 3dkr s VAL 45 N -2.16 0.01 -0.05 1.40 1.01 -0.15 -0.64 120.40 119.81 3dkr s VAL 45 Ca 0.65 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 3dkr s VAL 45 Cb -0.14 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.05 3dkr s VAL 45 CO 0.22 -0.02 -0.01 -0.47 0.00 0.00 0.00 175.10 174.83 3dkr s TYR 46 N -0.01 0.52 -0.44 5.22 5.04 -0.03 -0.52 117.35 127.13 3dkr s TYR 46 Ca -0.01 -0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.56 3dkr s TYR 46 Cb -0.01 -0.60 0.13 0.00 0.35 0.00 0.00 41.96 41.82 3dkr s TYR 46 CO 0.00 -0.21 0.21 0.08 -1.34 0.00 0.00 175.55 174.29 3dkr s VAL 47 N 1.38 1.72 0.91 3.14 1.01 -0.36 -1.52 120.40 126.67 3dkr s VAL 47 Ca -0.04 -2.61 -0.12 0.00 0.00 0.00 0.00 61.98 59.20 3dkr s VAL 47 Cb -0.13 -2.21 0.13 0.00 0.00 0.00 0.00 36.38 34.17 3dkr s VAL 47 CO -0.02 -0.82 1.11 -2.16 0.00 0.00 0.00 175.10 173.20 3dkr s PRO 48 N 0.36 1.19 -0.18 2.72 0.04 -1.26 -1.84 135.00 136.03 3dkr s PRO 48 Ca 0.16 0.52 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 3dkr s PRO 48 Cb -0.24 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3dkr s PRO 48 CO -0.03 -2.21 -0.01 -1.17 0.04 0.00 0.00 177.00 173.62 3dkr s LEU 49 N -6.12 3.30 0.28 -3.56 2.96 -1.26 -4.48 118.68 109.81 3dkr s LEU 49 Ca 0.63 -0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 3dkr s LEU 49 Cb -0.16 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 3dkr s LEU 49 CO 0.55 0.12 1.01 -0.36 -1.32 0.00 0.00 176.35 176.36 3dkr s PHE 50 N 0.65 3.71 0.29 5.38 0.08 -1.26 -4.97 117.98 121.87 3dkr s PHE 50 Ca -0.01 1.79 -0.28 0.00 0.12 0.00 0.00 56.93 58.55 3dkr s PHE 50 Cb -0.14 -3.10 -0.14 0.00 -0.57 0.00 0.00 43.02 39.07 3dkr s PHE 50 CO 0.02 -0.07 1.04 0.43 -0.10 0.00 0.00 175.22 176.54 3dkr n SER 51 N 1.07 1.43 0.00 1.36 7.64 -1.26 -1.81 113.62 122.05 3dkr n SER 51 Ca -0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3dkr n SER 51 Cb 0.47 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3dkr n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dkr n GLY 52 N 1.24 2.96 3.95 0.23 0.00 -1.26 -4.13 105.19 108.17 3dkr n GLY 52 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3dkr n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dkr s HIS 53 N -1.87 3.12 -0.89 1.61 4.02 -0.75 -2.12 115.29 118.41 3dkr s HIS 53 Ca 0.00 0.30 0.00 0.00 1.02 0.00 0.00 55.06 56.38 3dkr s HIS 53 Cb 0.00 -2.60 0.00 0.00 -1.02 0.00 0.00 32.58 28.96 3dkr s HIS 53 CO 0.00 -0.68 0.00 0.41 1.02 0.00 0.00 174.74 175.49 3dkr n GLY 54 N -2.34 0.82 3.71 -2.22 0.00 -1.26 -4.88 105.19 99.02 3dkr n GLY 54 Ca 0.04 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 3dkr n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dkr s THR 55 N -2.35 1.91 -0.78 2.61 -4.23 -1.26 -4.22 115.64 107.31 3dkr s THR 55 Ca 0.00 -1.86 0.23 0.00 -1.18 0.00 0.00 61.69 58.88 3dkr s THR 55 Cb 0.00 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.29 3dkr s THR 55 CO 0.00 0.00 1.70 0.55 -0.54 0.00 0.00 174.62 176.33 3dkr n VAL 56 N -1.18 0.66 -3.77 2.29 3.14 -1.26 -4.57 118.33 113.64 3dkr n VAL 56 Ca -0.06 0.08 -0.36 0.00 -2.96 0.00 0.00 64.34 61.03 3dkr n VAL 56 Cb 0.66 -0.86 -0.11 0.00 -1.06 0.00 0.00 33.84 32.47 3dkr n VAL 56 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3dkr s GLU 57 N -3.12 2.05 0.55 1.45 2.56 -1.26 -4.82 118.70 116.10 3dkr s GLU 57 Ca 0.08 -1.79 0.27 0.00 0.00 0.00 0.00 54.97 53.53 3dkr s GLU 57 Cb 0.12 -3.59 1.45 0.00 2.00 0.00 0.00 34.13 34.10 3dkr s GLU 57 CO 0.43 -1.06 1.97 -1.35 -0.56 0.00 0.00 175.26 174.69 3dkr h PRO 58 N 8.07 0.00 0.00 4.30 0.11 -1.93 0.31 132.00 142.86 3dkr h PRO 58 Ca -0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3dkr h PRO 58 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3dkr h PRO 58 CO 0.70 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.37 3dkr h LEU 59 N 0.00 0.00 -1.72 2.35 3.38 -1.93 -2.45 115.31 114.93 3dkr h LEU 59 Ca 0.26 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.30 3dkr h LEU 59 Cb 1.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3dkr h LEU 59 CO -0.00 0.05 0.32 0.44 0.09 0.00 0.00 178.44 179.33 3dkr h ASP 60 N 0.00 0.30 -0.78 -0.43 3.32 -1.16 0.72 116.42 118.38 3dkr h ASP 60 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dkr h ASP 60 Cb 0.17 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3dkr h ASP 60 CO 0.01 0.19 0.49 0.40 -1.72 0.00 0.00 179.24 178.61 3dkr h ILE 61 N 0.34 1.21 0.00 0.35 2.04 -0.92 0.11 117.51 120.64 3dkr h ILE 61 Ca 0.21 -0.43 -0.20 0.00 1.00 0.00 0.00 64.86 65.44 3dkr h ILE 61 Cb 0.39 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3dkr h ILE 61 CO -0.05 0.21 -1.05 -0.07 0.00 0.00 0.00 178.15 177.20 3dkr h LEU 62 N 1.07 0.00 0.00 1.44 3.38 -1.26 -3.15 115.31 116.78 3dkr h LEU 62 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3dkr h LEU 62 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3dkr h LEU 62 CO -0.06 0.88 -1.59 0.35 0.09 0.00 0.00 178.44 178.11 3dkr n THR 63 N -3.25 0.00 0.11 0.22 -2.24 0.09 -4.65 114.28 104.56 3dkr n THR 63 Ca -0.03 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.45 3dkr n THR 63 Cb 0.91 0.22 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 3dkr n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dkr n LYS 64 N -1.96 0.04 -4.29 -0.78 5.02 0.38 -5.02 118.16 111.55 3dkr n LYS 64 Ca -0.02 -0.60 -0.19 0.00 -2.02 0.00 0.00 58.31 55.48 3dkr n LYS 64 Cb 0.36 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 34.25 3dkr n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3dkr s GLY 65 N -0.32 1.24 0.19 0.72 0.00 -1.19 -4.14 107.32 103.81 3dkr s GLY 65 Ca 0.03 -1.44 -0.23 0.00 0.00 0.00 0.00 44.72 43.07 3dkr s GLY 65 CO 0.04 -1.51 0.72 0.54 0.00 0.00 0.00 173.10 172.88 3dkr s ASN 66 N -2.76 -0.39 0.45 1.64 2.20 -1.26 -4.71 114.94 110.11 3dkr s ASN 66 Ca 0.14 -0.27 0.15 0.00 -0.94 0.00 0.00 52.86 51.94 3dkr s ASN 66 Cb -0.04 0.61 1.07 0.00 -2.00 0.00 0.00 41.25 40.90 3dkr s ASN 66 CO 0.05 -1.07 2.00 -0.65 -2.94 0.00 0.00 177.10 174.49 3dkr h PRO 67 N 2.00 0.34 -0.32 3.55 0.11 -1.94 -0.67 132.00 135.08 3dkr h PRO 67 Ca -0.26 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 3dkr h PRO 67 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3dkr h PRO 67 CO 0.30 0.23 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.76 3dkr h ASP 68 N 0.35 0.66 -0.32 -2.05 3.32 -1.97 0.65 116.42 117.06 3dkr h ASP 68 Ca 0.25 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3dkr h ASP 68 Cb 0.52 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3dkr h ASP 68 CO -0.06 0.90 0.19 0.40 -1.72 0.00 0.00 179.24 178.94 3dkr h ILE 69 N 0.41 1.12 -0.22 0.35 2.04 -1.77 -1.49 117.51 117.96 3dkr h ILE 69 Ca 0.08 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 3dkr h ILE 69 Cb 0.63 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3dkr h ILE 69 CO 0.04 0.12 -0.23 -0.50 0.00 0.00 0.00 178.15 177.58 3dkr h TRP 70 N 0.41 0.43 -0.26 1.37 6.55 -1.03 -0.17 115.95 123.25 3dkr h TRP 70 Ca 0.11 -0.08 -0.04 0.00 0.95 0.00 0.00 58.89 59.84 3dkr h TRP 70 Cb 0.03 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.21 3dkr h TRP 70 CO -0.04 0.60 0.02 2.35 -1.05 0.00 0.00 178.44 180.32 3dkr h TRP 71 N 0.35 0.47 -1.00 0.49 -0.00 -0.64 -0.25 115.95 115.38 3dkr h TRP 71 Ca 0.06 -0.07 0.05 0.00 -0.00 0.00 0.00 58.89 58.92 3dkr h TRP 71 Cb 0.60 -0.13 -0.06 0.00 -0.00 0.00 0.00 29.16 29.57 3dkr h TRP 71 CO 0.02 0.58 0.65 0.00 -0.00 0.00 0.00 178.44 179.68 3dkr h ALA 72 N 0.83 1.39 -0.55 2.65 0.00 -0.72 -0.38 119.26 122.48 3dkr h ALA 72 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3dkr h ALA 72 Cb 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dkr h ALA 72 CO 0.01 0.49 -0.10 0.93 0.00 0.00 0.00 179.25 180.57 3dkr h GLU 73 N 1.21 1.05 -0.42 0.00 5.08 -0.82 -0.84 114.58 119.83 3dkr h GLU 73 Ca 0.42 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3dkr h GLU 73 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3dkr h GLU 73 CO -0.15 1.08 0.00 0.77 -1.00 0.00 0.00 179.01 179.71 3dkr h SER 74 N 0.93 0.72 -0.52 1.42 0.02 -0.60 -1.39 113.55 114.13 3dkr h SER 74 Ca 0.14 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3dkr h SER 74 Cb 0.68 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3dkr h SER 74 CO 0.05 0.85 -0.04 0.77 -1.14 0.00 0.00 176.83 177.32 3dkr h SER 75 N 0.57 0.96 -0.68 3.07 4.64 -0.95 -1.20 113.55 119.96 3dkr h SER 75 Ca 0.12 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3dkr h SER 75 Cb 0.48 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3dkr h SER 75 CO 0.02 1.03 0.33 0.00 -0.87 0.00 0.00 176.83 177.34 3dkr h ALA 76 N 1.06 1.26 -0.41 5.18 0.00 -1.02 -1.53 119.26 123.80 3dkr h ALA 76 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3dkr h ALA 76 Cb 0.57 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dkr h ALA 76 CO 0.03 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3dkr h ALA 77 N 1.37 0.56 -0.17 0.00 0.00 -0.78 -1.05 119.26 119.18 3dkr h ALA 77 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3dkr h ALA 77 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dkr h ALA 77 CO -0.03 0.35 0.09 0.28 0.00 0.00 0.00 179.25 179.94 3dkr h VAL 78 N 0.57 1.00 -0.83 0.00 2.07 -1.02 -2.91 116.25 115.13 3dkr h VAL 78 Ca 0.12 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3dkr h VAL 78 Cb 0.50 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3dkr h VAL 78 CO 0.02 0.04 0.53 0.00 0.02 0.00 0.00 177.57 178.18 3dkr h ALA 79 N 1.08 1.37 -0.97 1.67 0.00 -1.07 0.81 119.26 122.14 3dkr h ALA 79 Ca 0.07 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3dkr h ALA 79 Cb 0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 17.38 3dkr h ALA 79 CO -0.04 0.57 0.60 1.25 0.00 0.00 0.00 179.25 181.62 3dkr h HIS 80 N 1.13 1.09 0.13 0.00 6.17 -1.03 -1.69 115.15 120.95 3dkr h HIS 80 Ca 0.30 0.03 -0.35 0.00 0.71 0.00 0.00 60.37 61.07 3dkr h HIS 80 Cb -0.10 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 29.48 3dkr h HIS 80 CO 0.00 0.42 -1.83 0.52 0.71 0.00 0.00 177.93 177.75 3dkr h MET 81 N 0.94 0.28 0.00 5.26 2.86 -1.12 -3.28 114.93 119.88 3dkr h MET 81 Ca 0.49 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkr h MET 81 Cb 0.50 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3dkr h MET 81 CO -0.27 1.17 0.00 1.79 1.06 0.00 0.00 176.91 180.66 3dkr h THR 82 N 0.08 0.00 0.00 2.22 1.35 -0.77 -1.54 112.91 114.25 3dkr h THR 82 Ca -0.36 -0.24 -0.04 0.00 -0.55 0.00 0.00 66.41 65.22 3dkr h THR 82 Cb 2.05 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 3dkr h THR 82 CO 0.13 0.00 -0.21 0.00 -0.25 0.00 0.00 175.52 175.19 3dkr h ALA 83 N 2.23 1.00 0.00 6.62 0.00 -1.37 -3.39 119.26 124.35 3dkr h ALA 83 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 3dkr h ALA 83 Cb 0.35 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3dkr h ALA 83 CO 0.00 0.26 -1.91 1.63 0.00 0.00 0.00 179.25 179.24 3dkr n LYS 84 N -3.34 0.39 -4.31 0.00 5.02 -0.66 -5.05 118.16 110.21 3dkr n LYS 84 Ca 0.00 0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 56.08 3dkr n LYS 84 Cb 0.44 -1.29 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 3dkr n LYS 84 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dkr s TYR 85 N -2.32 2.98 0.26 2.13 2.02 -0.72 -5.02 117.35 116.68 3dkr s TYR 85 Ca -0.22 0.01 -0.06 0.00 -0.37 0.00 0.00 57.07 56.44 3dkr s TYR 85 Cb 0.06 -1.61 0.28 0.00 -0.40 0.00 0.00 41.96 40.29 3dkr s TYR 85 CO 0.36 0.43 1.93 0.00 -1.57 0.00 0.00 175.55 176.70 3dkr h ALA 86 N 4.17 1.29 -4.06 3.71 0.00 -1.38 -3.43 119.26 119.56 3dkr h ALA 86 Ca -0.48 -0.08 -0.43 0.00 0.00 0.00 0.00 54.91 53.92 3dkr h ALA 86 Cb 1.17 -0.39 -0.28 0.00 0.00 0.00 0.00 17.79 18.28 3dkr h ALA 86 CO 0.56 0.65 -0.79 0.15 0.00 0.00 0.00 179.25 179.82 3dkr s LYS 87 N -6.06 0.90 -0.03 0.00 1.02 -0.89 -5.04 119.74 109.64 3dkr s LYS 87 Ca -0.13 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.45 3dkr s LYS 87 Cb 0.18 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 3dkr s LYS 87 CO 0.82 0.24 -0.09 0.08 -0.92 0.00 0.00 175.35 175.48 3dkr s VAL 88 N -0.34 0.78 0.11 3.17 1.01 -1.26 -1.07 120.40 122.80 3dkr s VAL 88 Ca 0.04 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.75 3dkr s VAL 88 Cb -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3dkr s VAL 88 CO -0.00 0.24 -0.17 -0.36 0.00 0.00 0.00 175.10 174.81 3dkr s PHE 89 N 0.22 2.55 -0.06 5.22 0.08 -0.64 -1.42 117.98 123.93 3dkr s PHE 89 Ca -0.04 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3dkr s PHE 89 Cb -0.09 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 3dkr s PHE 89 CO 0.01 0.37 -0.04 0.08 -0.10 0.00 0.00 175.22 175.54 3dkr s VAL 90 N -1.12 0.57 0.10 -0.44 1.01 -1.01 -0.76 120.40 118.75 3dkr s VAL 90 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3dkr s VAL 90 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3dkr s VAL 90 CO 0.10 0.25 -0.08 -0.36 0.00 0.00 0.00 175.10 175.01 3dkr s PHE 91 N 1.27 0.97 0.25 5.22 0.08 -0.29 -1.17 117.98 124.32 3dkr s PHE 91 Ca -0.05 -0.79 -0.17 0.00 0.12 0.00 0.00 56.93 56.04 3dkr s PHE 91 Cb -0.14 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.78 3dkr s PHE 91 CO -0.02 -0.07 0.57 0.20 -0.10 0.00 0.00 175.22 175.80 3dkr s GLY 92 N -2.78 0.18 0.00 4.36 0.00 -1.03 -0.70 107.32 107.34 3dkr s GLY 92 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3dkr s GLY 92 CO -0.02 -0.36 0.00 1.04 0.00 0.00 0.00 173.10 173.76 3dkr n LEU 93 N -0.40 0.00 0.16 0.66 4.77 -0.75 -0.05 117.00 121.40 3dkr n LEU 93 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 3dkr n LEU 93 Cb 0.61 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 3dkr n LEU 93 CO 0.19 -0.00 0.71 0.28 -1.33 0.00 0.00 177.39 177.23 3dkr h SER 94 N 0.00 -0.32 0.48 -1.43 0.02 -1.76 0.61 113.55 111.15 3dkr h SER 94 Ca 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3dkr h SER 94 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3dkr h SER 94 CO 0.00 -0.13 -0.23 0.25 -1.14 0.00 0.00 176.83 175.58 3dkr h LEU 95 N -0.49 -0.54 -1.54 5.07 5.85 -1.86 -2.86 115.31 118.95 3dkr h LEU 95 Ca -0.04 -0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.76 3dkr h LEU 95 Cb 0.36 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3dkr h LEU 95 CO 0.06 -0.16 0.51 1.23 -0.34 0.00 0.00 178.44 179.75 3dkr h GLY 96 N -1.02 0.77 2.00 3.75 0.00 -1.40 -1.50 103.07 105.67 3dkr h GLY 96 Ca -0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3dkr h GLY 96 CO 0.11 0.06 -0.32 -1.33 0.00 0.00 0.00 176.54 175.06 3dkr h GLY 97 N 0.45 0.00 0.98 4.60 0.00 0.31 0.31 103.07 109.72 3dkr h GLY 97 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 3dkr h GLY 97 CO -0.13 0.00 0.21 -2.22 0.00 0.00 0.00 176.54 174.40 3dkr h ILE 98 N 0.00 1.11 -0.08 2.60 2.04 -1.03 -1.42 117.51 120.72 3dkr h ILE 98 Ca -0.00 -0.25 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 3dkr h ILE 98 Cb 0.61 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3dkr h ILE 98 CO 0.04 0.11 -0.64 -0.26 0.00 0.00 0.00 178.15 177.40 3dkr h PHE 99 N 0.44 0.42 -0.66 1.37 0.04 -1.40 -1.49 116.94 115.67 3dkr h PHE 99 Ca 0.12 -0.17 0.02 0.00 2.80 0.00 0.00 57.97 60.74 3dkr h PHE 99 Cb -0.00 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3dkr h PHE 99 CO -0.04 0.87 0.42 0.00 -0.60 0.00 0.00 178.31 178.97 3dkr h ALA 100 N 1.08 0.84 -0.41 2.45 0.00 -0.79 0.89 119.26 123.33 3dkr h ALA 100 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3dkr h ALA 100 Cb 1.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3dkr h ALA 100 CO 0.11 0.22 -0.30 0.52 0.00 0.00 0.00 179.25 179.80 3dkr h MET 101 N 0.85 0.93 -0.22 0.00 2.86 -1.09 -1.65 114.93 116.61 3dkr h MET 101 Ca 0.25 -0.45 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 3dkr h MET 101 Cb -0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3dkr h MET 101 CO -0.08 1.10 -0.16 -0.22 1.06 0.00 0.00 176.91 178.62 3dkr h LYS 102 N 0.75 0.38 -0.09 1.72 3.64 -0.94 -1.24 116.57 120.78 3dkr h LYS 102 Ca 0.08 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3dkr h LYS 102 Cb 0.88 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3dkr h LYS 102 CO 0.08 0.53 0.06 0.00 -2.27 0.00 0.00 179.45 177.85 3dkr h ALA 103 N 1.49 0.12 -0.96 5.00 0.00 -0.56 -0.58 119.26 123.77 3dkr h ALA 103 Ca 0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dkr h ALA 103 Cb 0.49 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3dkr h ALA 103 CO 0.03 -0.38 0.63 -0.07 0.00 0.00 0.00 179.25 179.46 3dkr h LEU 104 N 0.10 1.04 -0.57 0.00 3.38 -0.82 -0.45 115.31 118.00 3dkr h LEU 104 Ca 0.03 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3dkr h LEU 104 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dkr h LEU 104 CO -0.01 0.72 -0.32 -0.33 0.09 0.00 0.00 178.44 178.59 3dkr h GLU 105 N 1.21 0.80 0.00 1.13 5.08 -0.95 -3.42 114.58 118.43 3dkr h GLU 105 Ca 0.38 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3dkr h GLU 105 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dkr h GLU 105 CO -0.12 1.00 -0.30 0.25 -1.00 0.00 0.00 179.01 178.85 3dkr n THR 106 N -4.07 0.00 -4.10 1.13 -2.24 -0.25 -4.82 114.28 99.93 3dkr n THR 106 Ca -0.01 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 3dkr n THR 106 Cb 0.49 0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 69.31 3dkr n THR 106 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dkr s LEU 107 N -1.53 3.78 0.55 3.22 1.43 -0.20 -5.05 118.68 120.89 3dkr s LEU 107 Ca 0.00 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3dkr s LEU 107 Cb 0.00 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3dkr s LEU 107 CO 0.00 0.21 0.89 -2.16 0.23 0.00 0.00 176.35 175.53 3dkr s PRO 108 N -2.10 3.41 0.00 1.29 0.04 -1.26 -4.50 135.00 131.88 3dkr s PRO 108 Ca 0.26 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3dkr s PRO 108 Cb -0.12 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3dkr s PRO 108 CO 0.18 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.19 3dkr n GLY 109 N -2.50 0.49 3.68 0.56 0.00 -1.26 -5.02 105.19 101.14 3dkr n GLY 109 Ca 0.03 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3dkr n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dkr s ILE 110 N -2.00 5.33 0.02 -0.61 1.01 -1.26 -4.54 121.20 119.14 3dkr s ILE 110 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.75 3dkr s ILE 110 Cb 0.00 -3.55 -0.17 0.00 0.01 0.00 0.00 42.46 38.75 3dkr s ILE 110 CO 0.00 0.34 1.27 0.74 0.00 0.00 0.00 174.94 177.29 3dkr h THR 111 N 4.96 1.39 -2.31 2.92 2.02 -1.64 -3.48 112.91 116.76 3dkr h THR 111 Ca -0.38 -1.44 0.21 0.00 0.77 0.00 0.00 66.41 65.57 3dkr h THR 111 Cb 1.17 2.09 -0.06 0.00 -1.74 0.00 0.00 68.15 69.61 3dkr h THR 111 CO 0.69 0.41 0.64 0.00 0.37 0.00 0.00 175.52 177.63 3dkr s ALA 112 N -4.04 -1.80 0.00 6.16 0.00 -1.25 -4.33 121.76 116.50 3dkr s ALA 112 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3dkr s ALA 112 Cb 0.04 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3dkr s ALA 112 CO 0.75 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3dkr n GLY 113 N -0.66 -0.97 0.00 0.00 0.00 -1.13 -2.41 105.19 100.02 3dkr n GLY 113 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3dkr n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkr n GLY 114 N 0.00 -0.30 3.14 -0.02 0.00 -0.31 -0.73 105.19 106.97 3dkr n GLY 114 Ca 0.00 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 3dkr n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dkr s VAL 115 N -3.40 0.93 -1.86 1.61 -7.23 -0.23 -2.47 120.40 107.76 3dkr s VAL 115 Ca 0.00 -1.30 0.16 0.00 -1.81 0.00 0.00 61.98 59.03 3dkr s VAL 115 Cb 0.00 -0.99 0.19 0.00 0.56 0.00 0.00 36.38 36.14 3dkr s VAL 115 CO 0.00 -0.32 1.08 0.49 -0.31 0.00 0.00 175.10 176.04 3dkr n PHE 116 N 1.20 0.14 -3.55 2.82 3.72 0.93 -0.85 117.46 121.88 3dkr n PHE 116 Ca -0.21 -0.10 -0.09 0.00 -0.05 0.00 0.00 57.45 57.00 3dkr n PHE 116 Cb 0.55 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 3dkr n PHE 116 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dkr s SER 117 N -1.26 -0.42 0.73 4.37 0.15 -0.97 -4.31 113.70 111.99 3dkr s SER 117 Ca 0.22 -0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 3dkr s SER 117 Cb 0.14 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 65.02 3dkr s SER 117 CO 0.20 -0.90 1.18 -0.44 1.20 0.00 0.00 173.24 174.48 3dkr s SER 118 N -2.71 4.31 0.97 5.45 0.01 -1.26 -4.33 113.70 116.13 3dkr s SER 118 Ca 0.05 2.27 -0.12 0.00 1.31 0.00 0.00 55.95 59.46 3dkr s SER 118 Cb -0.02 -2.58 0.17 0.00 0.21 0.00 0.00 66.02 63.80 3dkr s SER 118 CO -0.07 -2.18 1.09 -2.16 0.41 0.00 0.00 173.24 170.32 3dkr s PRO 119 N -4.00 0.67 -0.56 12.44 0.04 -1.26 -4.37 135.00 137.96 3dkr s PRO 119 Ca 0.72 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 3dkr s PRO 119 Cb -0.27 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.58 3dkr s PRO 119 CO 0.45 -2.63 0.86 0.42 0.04 0.00 0.00 177.00 176.13 3dkr s ILE 120 N -2.85 4.52 0.17 0.56 1.01 -1.26 -4.93 121.20 118.42 3dkr s ILE 120 Ca 0.65 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 61.31 3dkr s ILE 120 Cb -0.20 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 3dkr s ILE 120 CO 0.58 -1.09 -0.19 -0.76 0.00 0.00 0.00 174.94 173.48 3dkr s LEU 121 N 3.58 2.44 0.18 2.97 1.43 -1.26 -4.20 118.68 123.83 3dkr s LEU 121 Ca 0.24 -0.87 -0.32 0.00 -1.03 0.00 0.00 54.13 52.15 3dkr s LEU 121 Cb -0.15 -0.88 -0.11 0.00 0.03 0.00 0.00 46.19 45.07 3dkr s LEU 121 CO 0.15 -0.01 1.68 -2.16 0.23 0.00 0.00 176.35 176.24 3dkr s PRO 122 N -2.82 4.16 0.00 1.29 0.04 -1.26 -2.00 135.00 134.40 3dkr s PRO 122 Ca 0.17 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3dkr s PRO 122 Cb -0.06 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3dkr s PRO 122 CO 0.07 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.81 3dkr n GLY 123 N 3.94 0.90 0.47 0.56 0.00 -1.26 -4.91 105.19 104.89 3dkr n GLY 123 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3dkr n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dkr n LYS 124 N -2.02 1.54 -3.91 1.61 4.76 -0.85 -5.02 118.16 114.27 3dkr n LYS 124 Ca 0.00 -3.06 -0.10 0.00 -2.87 0.00 0.00 58.31 52.28 3dkr n LYS 124 Cb 0.00 -1.60 -0.10 0.00 -1.84 0.00 0.00 35.03 31.49 3dkr n LYS 124 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 3dkr s HIS 125 N -3.11 0.14 -0.62 2.13 -3.43 -1.26 -1.61 115.29 107.52 3dkr s HIS 125 Ca 0.37 -0.37 0.05 0.00 -0.80 0.00 0.00 55.06 54.31 3dkr s HIS 125 Cb 0.34 -0.11 0.30 0.00 -1.43 0.00 0.00 32.58 31.69 3dkr s HIS 125 CO -0.03 -0.33 0.90 0.72 -2.00 0.00 0.00 174.74 174.00 3dkr n HIS 126 N 1.06 3.84 0.50 0.38 8.25 0.50 -4.87 115.22 124.88 3dkr n HIS 126 Ca -0.21 -4.01 0.11 0.00 -0.26 0.00 0.00 57.72 53.36 3dkr n HIS 126 Cb 0.57 -0.55 0.02 0.00 1.12 0.00 0.00 29.99 31.16 3dkr n HIS 126 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3dkr n LEU 127 N 0.23 0.61 -0.01 2.41 4.77 -1.26 -4.24 117.00 119.51 3dkr n LEU 127 Ca 0.31 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3dkr n LEU 127 Cb 0.39 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 3dkr n LEU 127 CO 0.38 0.01 0.57 0.58 -1.33 0.00 0.00 177.39 177.60 3dkr h VAL 128 N 0.00 1.36 -0.83 4.08 2.07 -1.96 0.24 116.25 121.21 3dkr h VAL 128 Ca 0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3dkr h VAL 128 Cb 0.77 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 3dkr h VAL 128 CO 0.00 0.33 0.52 -0.65 0.02 0.00 0.00 177.57 177.79 3dkr h PRO 129 N -0.62 1.11 -0.49 1.57 0.11 -2.00 -0.93 132.00 130.75 3dkr h PRO 129 Ca -0.00 -0.09 0.04 0.00 0.11 0.00 0.00 66.00 66.06 3dkr h PRO 129 Cb 0.57 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3dkr h PRO 129 CO 0.01 0.76 0.25 0.78 -0.21 0.00 0.00 178.00 179.59 3dkr h GLY 130 N 1.15 0.69 0.84 -0.55 0.00 -1.72 -0.53 103.07 102.95 3dkr h GLY 130 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3dkr h GLY 130 CO -0.06 0.11 0.03 -2.75 0.00 0.00 0.00 176.54 173.87 3dkr h PHE 131 N 0.48 0.34 -0.98 5.60 3.57 -0.44 -0.14 116.94 125.37 3dkr h PHE 131 Ca 0.22 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3dkr h PHE 131 Cb 0.13 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 3dkr h PHE 131 CO -0.10 0.47 0.64 -0.07 -2.23 0.00 0.00 178.31 177.02 3dkr h LEU 132 N 0.12 1.06 -0.25 0.59 3.38 -0.97 -0.30 115.31 118.92 3dkr h LEU 132 Ca 0.06 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 3dkr h LEU 132 Cb 0.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dkr h LEU 132 CO 0.00 0.71 -0.62 0.11 0.09 0.00 0.00 178.44 178.73 3dkr h LYS 133 N 1.22 0.86 -0.05 1.13 6.56 -0.88 -1.37 116.57 124.03 3dkr h LYS 133 Ca 0.40 -0.59 0.03 0.00 -1.06 0.00 0.00 60.65 59.43 3dkr h LYS 133 Cb 0.05 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.76 3dkr h LYS 133 CO -0.14 1.22 -0.16 -0.92 -2.06 0.00 0.00 179.45 177.39 3dkr h TYR 134 N 0.64 -0.42 -0.90 -1.35 3.20 -0.62 -0.46 116.97 117.05 3dkr h TYR 134 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3dkr h TYR 134 Cb 1.24 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.66 3dkr h TYR 134 CO 0.08 -0.24 0.55 0.00 -1.64 0.00 0.00 178.16 176.91 3dkr h ALA 135 N 0.74 1.14 -0.34 1.82 0.00 -0.94 -0.65 119.26 121.04 3dkr h ALA 135 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3dkr h ALA 135 Cb 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dkr h ALA 135 CO -0.19 0.59 0.04 1.49 0.00 0.00 0.00 179.25 181.17 3dkr h GLU 136 N 1.23 0.57 -0.24 0.00 4.81 -0.99 0.54 114.58 120.50 3dkr h GLU 136 Ca 0.32 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3dkr h GLU 136 Cb -0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3dkr h GLU 136 CO -0.06 0.67 0.13 -0.92 -0.73 0.00 0.00 179.01 178.09 3dkr h TYR 137 N 0.39 0.24 -0.11 0.92 3.20 -0.76 -0.64 116.97 120.22 3dkr h TYR 137 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3dkr h TYR 137 Cb 0.39 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3dkr h TYR 137 CO 0.03 0.14 0.00 0.52 -1.64 0.00 0.00 178.16 177.22 3dkr h MET 138 N 0.27 0.19 -0.41 1.82 2.86 -0.97 -2.31 114.93 116.38 3dkr h MET 138 Ca 0.09 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 3dkr h MET 138 Cb 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3dkr h MET 138 CO -0.05 0.43 -0.15 -0.91 1.06 0.00 0.00 176.91 177.29 3dkr h ASN 139 N -0.07 0.75 0.21 1.22 2.35 -0.86 -1.85 115.58 117.33 3dkr h ASN 139 Ca 0.03 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3dkr h ASN 139 Cb 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3dkr h ASN 139 CO 0.00 0.91 -0.24 0.03 -1.65 0.00 0.00 177.43 176.49 3dkr h ARG 140 N 0.68 -0.47 -0.43 0.81 -0.00 -1.09 0.16 114.38 114.04 3dkr h ARG 140 Ca 0.11 0.03 0.06 0.00 -0.50 0.00 0.00 59.98 59.69 3dkr h ARG 140 Cb 0.63 0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.68 3dkr h ARG 140 CO 0.04 -0.31 0.29 1.37 0.00 0.00 0.00 179.97 181.36 3dkr h LEU 141 N -0.49 0.28 -0.91 3.04 8.10 -1.17 -1.74 115.31 122.41 3dkr h LEU 141 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3dkr h LEU 141 Cb 0.47 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 3dkr h LEU 141 CO -0.07 0.18 -0.06 0.00 -4.11 0.00 0.00 178.44 174.38 3dkr n ALA 142 N -2.53 2.68 -2.07 0.17 0.00 -0.72 -4.93 120.51 113.11 3dkr n ALA 142 Ca 0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 3dkr n ALA 142 Cb 0.27 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3dkr n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dkr n GLY 143 N 1.22 0.20 3.91 0.00 0.00 -0.54 -5.01 105.19 104.97 3dkr n GLY 143 Ca 0.17 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3dkr n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dkr s LYS 144 N -4.38 3.57 0.73 1.61 -2.85 0.45 -5.03 119.74 113.84 3dkr s LYS 144 Ca 0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 55.97 54.65 3dkr s LYS 144 Cb 0.00 -2.82 0.03 0.00 -2.06 0.00 0.00 37.83 32.98 3dkr s LYS 144 CO 0.00 0.40 1.07 -1.54 0.10 0.00 0.00 175.35 175.38 3dkr s SER 145 N -2.93 4.99 0.33 0.03 1.04 -1.26 -4.36 113.70 111.53 3dkr s SER 145 Ca 0.40 1.66 -0.29 0.00 0.48 0.00 0.00 55.95 58.20 3dkr s SER 145 Cb -0.11 -2.47 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 3dkr s SER 145 CO 0.28 -1.70 1.39 -0.62 0.98 0.00 0.00 173.24 173.57 3dkr s ASP 146 N -3.66 6.62 -0.05 7.02 -1.08 -1.26 -4.96 116.67 119.30 3dkr s ASP 146 Ca 0.59 2.79 0.08 0.00 -0.52 0.00 0.00 52.55 55.49 3dkr s ASP 146 Cb -0.15 -2.65 0.12 0.00 -1.46 0.00 0.00 42.92 38.78 3dkr s ASP 146 CO 0.55 -0.67 1.05 -0.62 0.52 0.00 0.00 175.17 176.00 3dkr n GLU 147 N 1.04 2.09 -0.31 4.34 1.02 -1.26 -4.82 120.64 122.74 3dkr n GLU 147 Ca 0.02 -1.91 0.18 0.00 -0.02 0.00 0.00 57.16 55.43 3dkr n GLU 147 Cb 0.41 -1.18 0.44 0.00 -0.02 0.00 0.00 31.44 31.08 3dkr n GLU 147 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3dkr h SER 148 N 0.00 0.56 -0.20 1.62 4.64 -1.96 -0.58 113.55 117.62 3dkr h SER 148 Ca 0.00 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3dkr h SER 148 Cb 0.75 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3dkr h SER 148 CO 0.00 0.18 -0.04 0.74 -0.87 0.00 0.00 176.83 176.84 3dkr h THR 149 N 0.54 1.28 -0.43 2.95 2.02 -2.00 -1.35 112.91 115.91 3dkr h THR 149 Ca 0.56 -0.99 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 3dkr h THR 149 Cb 1.19 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 3dkr h THR 149 CO -0.30 0.30 -0.13 1.56 0.37 0.00 0.00 175.52 177.32 3dkr h GLN 150 N 0.11 0.79 -0.33 6.66 1.08 -1.75 -2.80 115.11 118.88 3dkr h GLN 150 Ca 0.05 -0.28 0.05 0.00 -1.45 0.00 0.00 58.65 57.03 3dkr h GLN 150 Cb 0.47 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 3dkr h GLN 150 CO 0.02 0.88 0.06 0.82 -0.95 0.00 0.00 178.83 179.66 3dkr h ILE 151 N 0.71 0.83 0.00 2.54 2.04 -0.89 -1.63 117.51 121.11 3dkr h ILE 151 Ca 0.11 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3dkr h ILE 151 Cb 0.63 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3dkr h ILE 151 CO 0.04 0.03 -0.12 -0.07 0.00 0.00 0.00 178.15 178.04 3dkr h LEU 152 N 0.17 0.00 -0.68 1.44 3.38 -1.11 0.34 115.31 118.86 3dkr h LEU 152 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 3dkr h LEU 152 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3dkr h LEU 152 CO -0.21 0.12 -0.56 0.00 0.09 0.00 0.00 178.44 177.88 3dkr h ALA 153 N 1.88 0.87 0.00 1.53 0.00 -1.04 -3.38 119.26 119.12 3dkr h ALA 153 Ca -0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 3dkr h ALA 153 Cb 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3dkr h ALA 153 CO 0.01 0.70 -1.87 0.66 0.00 0.00 0.00 179.25 178.75 3dkr n TYR 154 N -3.91 0.00 -0.10 0.00 4.01 -0.84 -4.77 117.16 111.55 3dkr n TYR 154 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 3dkr n TYR 154 Cb 0.59 -0.62 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 3dkr n TYR 154 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3dkr h LEU 155 N 0.00 0.47 -1.13 7.72 5.85 -0.52 -2.03 115.31 125.68 3dkr h LEU 155 Ca -0.34 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.23 3dkr h LEU 155 Cb 1.74 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.58 3dkr h LEU 155 CO 0.01 0.57 0.60 -0.65 -0.34 0.00 0.00 178.44 178.63 3dkr h PRO 156 N 0.34 0.97 -0.45 5.25 0.11 -1.80 -0.25 132.00 136.18 3dkr h PRO 156 Ca 0.10 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.02 3dkr h PRO 156 Cb 0.28 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3dkr h PRO 156 CO 0.00 0.64 -0.24 0.78 -0.21 0.00 0.00 178.00 178.97 3dkr h GLY 157 N 1.00 1.00 1.04 -0.55 0.00 -1.76 -0.48 103.07 103.33 3dkr h GLY 157 Ca 0.42 -0.89 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 3dkr h GLY 157 CO -0.18 0.81 -0.50 -1.61 0.00 0.00 0.00 176.54 175.07 3dkr h GLN 158 N 0.79 0.75 -0.98 4.80 4.15 -0.87 -1.40 115.11 122.35 3dkr h GLN 158 Ca 0.10 -0.49 0.03 0.00 0.77 0.00 0.00 58.65 59.06 3dkr h GLN 158 Cb 0.80 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 3dkr h GLN 158 CO 0.07 1.12 0.64 -0.07 -1.93 0.00 0.00 178.83 178.66 3dkr h LEU 159 N 0.48 1.08 -0.82 -2.39 3.38 -0.97 -0.09 115.31 115.97 3dkr h LEU 159 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dkr h LEU 159 Cb 1.10 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3dkr h LEU 159 CO 0.11 0.74 0.54 0.00 0.09 0.00 0.00 178.44 179.93 3dkr h ALA 160 N 1.40 1.04 -0.52 1.53 0.00 -0.90 0.11 119.26 121.91 3dkr h ALA 160 Ca 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3dkr h ALA 160 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3dkr h ALA 160 CO -0.12 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.76 3dkr h ALA 161 N 1.30 0.68 0.03 0.00 0.00 -0.29 -0.36 119.26 120.62 3dkr h ALA 161 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dkr h ALA 161 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3dkr h ALA 161 CO -0.06 0.34 -0.01 0.82 0.00 0.00 0.00 179.25 180.33 3dkr h ILE 162 N 0.71 1.06 -0.50 0.00 2.04 -0.71 -1.53 117.51 118.58 3dkr h ILE 162 Ca 0.17 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.86 3dkr h ILE 162 Cb 0.27 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 37.49 3dkr h ILE 162 CO -0.01 0.07 -0.15 0.44 0.00 0.00 0.00 178.15 178.50 3dkr h ASP 163 N -0.16 -0.54 -0.06 1.72 3.32 -0.62 0.71 116.42 120.79 3dkr h ASP 163 Ca -0.00 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dkr h ASP 163 Cb 0.14 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3dkr h ASP 163 CO 0.01 -0.19 0.04 -0.61 -1.72 0.00 0.00 179.24 176.77 3dkr h GLN 164 N -0.03 0.09 -0.76 3.56 4.15 -0.91 0.59 115.11 121.80 3dkr h GLN 164 Ca 0.24 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.67 3dkr h GLN 164 Cb 0.40 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 3dkr h GLN 164 CO -0.53 0.10 0.50 0.35 -1.93 0.00 0.00 178.83 177.32 3dkr h PHE 165 N 0.04 0.95 -0.47 3.99 3.57 -0.90 -2.42 116.94 121.70 3dkr h PHE 165 Ca 0.02 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3dkr h PHE 165 Cb 0.04 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3dkr h PHE 165 CO -0.06 0.58 0.01 0.00 -2.23 0.00 0.00 178.31 176.62 3dkr h ALA 166 N 1.29 1.14 -0.37 2.41 0.00 -0.34 -2.47 119.26 120.92 3dkr h ALA 166 Ca 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dkr h ALA 166 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3dkr h ALA 166 CO -0.07 0.56 0.06 1.79 0.00 0.00 0.00 179.25 181.58 3dkr h THR 167 N 0.72 1.19 -0.28 0.00 1.35 -0.40 0.43 112.91 115.92 3dkr h THR 167 Ca 0.14 -0.69 -0.09 0.00 -0.55 0.00 0.00 66.41 65.22 3dkr h THR 167 Cb 0.42 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 3dkr h THR 167 CO 0.02 0.25 -0.18 0.74 -0.25 0.00 0.00 175.52 176.09 3dkr h THR 168 N 0.54 1.30 -0.82 6.82 2.02 -1.28 -1.22 112.91 120.26 3dkr h THR 168 Ca 0.12 -1.30 0.06 0.00 0.77 0.00 0.00 66.41 66.06 3dkr h THR 168 Cb 0.26 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 3dkr h THR 168 CO 0.00 0.41 0.51 0.58 0.37 0.00 0.00 175.52 177.39 3dkr h VAL 169 N 0.35 1.05 -0.81 3.16 2.07 -1.12 -2.38 116.25 118.57 3dkr h VAL 169 Ca 0.06 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3dkr h VAL 169 Cb 0.71 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3dkr h VAL 169 CO 0.05 0.17 0.34 0.00 0.02 0.00 0.00 177.57 178.15 3dkr h ALA 170 N 1.38 1.05 0.00 1.67 0.00 -0.59 -2.05 119.26 120.72 3dkr h ALA 170 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dkr h ALA 170 Cb 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3dkr h ALA 170 CO -0.16 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.73 3dkr h ALA 171 N 1.18 1.03 -0.60 0.00 0.00 -0.73 -2.56 119.26 117.59 3dkr h ALA 171 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dkr h ALA 171 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dkr h ALA 171 CO -0.03 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3dkr n ASP 172 N -3.14 3.72 0.29 0.00 8.00 -0.79 -4.55 116.55 120.09 3dkr n ASP 172 Ca -0.01 -1.99 0.14 0.00 0.71 0.00 0.00 54.79 53.64 3dkr n ASP 172 Cb 0.21 -0.39 0.89 0.00 -0.02 0.00 0.00 41.12 41.80 3dkr n ASP 172 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dkr h LEU 173 N 4.18 0.00 -2.54 0.64 3.38 -1.28 0.38 115.31 120.06 3dkr h LEU 173 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3dkr h LEU 173 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3dkr h LEU 173 CO 0.00 0.01 0.11 -0.55 0.09 0.00 0.00 178.44 178.10 3dkr h ASN 174 N 0.00 0.00 1.22 -0.43 7.08 -1.80 -1.89 115.58 119.75 3dkr h ASN 174 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3dkr h ASN 174 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 3dkr h ASN 174 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 177.43 175.28 3dkr h LEU 175 N 0.00 0.00 -9.09 6.14 3.38 -1.27 -3.41 115.31 111.06 3dkr h LEU 175 Ca 0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.42 3dkr h LEU 175 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3dkr h LEU 175 CO -0.00 0.00 0.92 -0.69 0.09 0.00 0.00 178.44 178.76 3dkr s VAL 176 N -3.28 4.27 -0.04 1.22 1.01 -0.71 -4.79 120.40 118.08 3dkr s VAL 176 Ca 0.06 1.51 0.19 0.00 0.00 0.00 0.00 61.98 63.74 3dkr s VAL 176 Cb 0.10 -4.07 -0.29 0.00 0.00 0.00 0.00 36.38 32.12 3dkr s VAL 176 CO 0.53 -0.24 0.40 0.29 0.00 0.00 0.00 175.10 176.08 3dkr n LYS 177 N 6.79 0.61 -1.96 2.72 4.76 -1.26 -1.86 118.16 127.97 3dkr n LYS 177 Ca 0.14 -0.16 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 3dkr n LYS 177 Cb 0.45 -1.45 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 3dkr n LYS 177 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3dkr s GLN 178 N -3.27 3.21 0.22 1.97 1.11 -1.26 -0.58 119.66 121.06 3dkr s GLN 178 Ca -0.07 1.20 -0.32 0.00 0.01 0.00 0.00 55.36 56.18 3dkr s GLN 178 Cb 0.12 -2.02 -0.14 0.00 -1.01 0.00 0.00 33.01 29.95 3dkr s GLN 178 CO 0.79 -0.89 1.26 -2.30 0.01 0.00 0.00 175.29 174.16 3dkr n PRO 179 N -2.20 1.59 -4.85 2.91 -0.02 -1.26 -3.69 135.00 127.48 3dkr n PRO 179 Ca 0.09 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.87 3dkr n PRO 179 Cb 0.53 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.72 3dkr n PRO 179 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dkr s THR 180 N -0.23 1.48 -0.15 3.45 2.01 -0.31 -2.83 115.64 119.06 3dkr s THR 180 Ca 0.69 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 3dkr s THR 180 Cb -0.74 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 3dkr s THR 180 CO 0.52 0.43 0.16 0.12 -0.69 0.00 0.00 174.62 175.15 3dkr s PHE 181 N 0.22 3.51 -0.14 4.92 5.36 0.09 -0.30 117.98 131.64 3dkr s PHE 181 Ca -0.09 0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 56.34 3dkr s PHE 181 Cb -0.14 -2.08 0.04 0.00 -0.34 0.00 0.00 43.02 40.50 3dkr s PHE 181 CO 0.04 0.50 -0.04 0.42 -1.46 0.00 0.00 175.22 174.67 3dkr s ILE 182 N -0.30 0.94 -0.02 3.12 1.01 -0.06 -1.07 121.20 124.82 3dkr s ILE 182 Ca 0.12 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.42 3dkr s ILE 182 Cb -0.12 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 3dkr s ILE 182 CO 0.02 0.18 -0.23 -0.83 0.00 0.00 0.00 174.94 174.07 3dkr s GLY 183 N 1.72 1.34 -0.11 6.18 0.00 -0.03 -0.02 107.32 116.40 3dkr s GLY 183 Ca 0.02 -1.11 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 3dkr s GLY 183 CO -0.08 -0.92 0.27 1.62 0.00 0.00 0.00 173.10 173.99 3dkr s GLN 184 N -0.72 0.22 0.29 2.90 2.00 -0.70 -2.30 119.66 121.36 3dkr s GLN 184 Ca 0.11 0.58 -0.29 0.00 -2.00 0.00 0.00 55.36 53.75 3dkr s GLN 184 Cb -0.10 -0.10 -0.10 0.00 0.80 0.00 0.00 33.01 33.50 3dkr s GLN 184 CO -0.00 -0.17 1.45 0.00 -0.50 0.00 0.00 175.29 176.06 3dkr s ALA 185 N 1.39 3.62 -1.12 1.58 0.00 -1.26 -1.22 121.76 124.75 3dkr s ALA 185 Ca -0.08 1.39 0.28 0.00 0.00 0.00 0.00 51.96 53.55 3dkr s ALA 185 Cb -0.10 -3.57 0.98 0.00 0.00 0.00 0.00 23.12 20.43 3dkr s ALA 185 CO -0.09 -0.81 1.74 0.41 0.00 0.00 0.00 175.76 177.01 3dkr n GLY 186 N 1.70 -1.31 2.53 0.00 0.00 0.39 -3.75 105.19 104.75 3dkr n GLY 186 Ca 0.05 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 3dkr n GLY 186 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dkr n GLN 187 N -1.40 2.48 -2.42 1.61 1.13 -0.15 -4.87 117.38 113.76 3dkr n GLN 187 Ca 0.08 -3.94 -0.43 0.00 -1.94 0.00 0.00 57.00 50.77 3dkr n GLN 187 Cb 0.33 -1.83 -0.02 0.00 0.11 0.00 0.00 30.24 28.82 3dkr n GLN 187 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3dkr s ASP 188 N -3.41 6.68 0.00 1.08 -1.08 -1.25 -4.25 116.67 114.45 3dkr s ASP 188 Ca 0.39 1.25 0.28 0.00 -0.52 0.00 0.00 52.55 53.95 3dkr s ASP 188 Cb 0.42 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 40.40 3dkr s ASP 188 CO -0.07 -1.06 1.77 -1.84 0.52 0.00 0.00 175.17 174.48 3dkr n GLU 189 N 7.28 0.48 -0.04 4.34 0.00 -1.26 -4.30 120.64 127.14 3dkr n GLU 189 Ca 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 57.16 57.07 3dkr n GLU 189 Cb 0.46 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.35 3dkr n GLU 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3dkr n LEU 190 N -1.10 1.07 -4.15 -1.84 4.77 -1.26 -4.60 117.00 109.89 3dkr n LEU 190 Ca 0.12 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 3dkr n LEU 190 Cb 0.30 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 3dkr n LEU 190 CO 0.26 0.36 -0.41 0.68 -1.33 0.00 0.00 177.39 176.95 3dkr s VAL 191 N -2.19 0.85 -0.55 4.08 -7.23 -1.26 -0.37 120.40 113.74 3dkr s VAL 191 Ca -0.07 -1.54 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 3dkr s VAL 191 Cb 0.03 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.75 3dkr s VAL 191 CO 0.28 -0.53 1.44 -0.62 -0.31 0.00 0.00 175.10 175.36 3dkr s ASP 192 N -2.29 6.10 0.65 4.85 -1.08 -0.64 -4.72 116.67 119.55 3dkr s ASP 192 Ca 0.03 0.34 0.40 0.00 -0.52 0.00 0.00 52.55 52.80 3dkr s ASP 192 Cb -0.04 -2.54 2.19 0.00 -1.46 0.00 0.00 42.92 41.07 3dkr s ASP 192 CO -0.00 -1.72 2.23 1.23 0.52 0.00 0.00 175.17 177.44 3dkr h GLY 193 N 13.17 0.00 1.67 2.66 0.00 -1.87 -1.14 103.07 117.58 3dkr h GLY 193 Ca -0.27 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.09 3dkr h GLY 193 CO 1.17 0.00 0.14 3.21 0.00 0.00 0.00 176.54 181.06 3dkr h ARG 194 N 0.00 0.00 -0.09 4.80 3.08 -1.95 -1.36 114.38 118.85 3dkr h ARG 194 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3dkr h ARG 194 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3dkr h ARG 194 CO 0.00 0.00 0.09 -0.07 -1.07 0.00 0.00 179.97 178.92 3dkr h LEU 195 N 0.00 0.00 -0.99 3.04 4.07 -1.61 -2.24 115.31 117.58 3dkr h LEU 195 Ca 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 3dkr h LEU 195 Cb 0.32 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 3dkr h LEU 195 CO -0.00 0.00 0.52 0.00 -1.08 0.00 0.00 178.44 177.88 3dkr h ALA 196 N 1.91 1.24 -0.40 1.53 0.00 -1.47 -0.12 119.26 121.96 3dkr h ALA 196 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3dkr h ALA 196 Cb 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dkr h ALA 196 CO -0.00 0.64 -0.21 1.88 0.00 0.00 0.00 179.25 181.56 3dkr h TYR 197 N 1.24 0.88 -0.58 0.00 0.05 -1.58 -1.08 116.97 115.90 3dkr h TYR 197 Ca 0.32 -0.20 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 3dkr h TYR 197 Cb -0.03 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 3dkr h TYR 197 CO 0.01 0.92 0.04 1.96 -1.05 0.00 0.00 178.16 180.04 3dkr h GLN 198 N 0.68 0.96 0.16 4.88 4.20 -1.33 -0.42 115.11 124.25 3dkr h GLN 198 Ca 0.10 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3dkr h GLN 198 Cb 0.72 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3dkr h GLN 198 CO 0.06 0.92 -0.08 1.25 -0.67 0.00 0.00 178.83 180.31 3dkr h LEU 199 N 0.90 -0.18 -0.49 1.46 5.85 -0.84 -1.25 115.31 120.77 3dkr h LEU 199 Ca 0.17 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3dkr h LEU 199 Cb 0.46 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 3dkr h LEU 199 CO 0.02 -0.01 -0.16 -0.09 -0.34 0.00 0.00 178.44 177.85 3dkr h ARG 200 N -0.34 -0.05 0.00 1.25 2.43 -1.04 -2.02 114.38 114.62 3dkr h ARG 200 Ca -0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3dkr h ARG 200 Cb 0.26 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3dkr h ARG 200 CO 0.04 -0.03 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.80 3dkr h ASP 201 N -0.05 0.00 1.52 -3.80 3.32 -0.89 -2.90 116.42 113.63 3dkr h ASP 201 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3dkr h ASP 201 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3dkr h ASP 201 CO -0.53 0.23 -0.09 0.00 -1.72 0.00 0.00 179.24 177.13 3dkr h ALA 202 N 1.77 0.94 -0.21 3.45 0.00 -0.48 -3.38 119.26 121.36 3dkr h ALA 202 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3dkr h ALA 202 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3dkr h ALA 202 CO 0.03 0.00 3.04 1.28 0.00 0.00 0.00 179.25 183.60 3dkr n LEU 203 N -2.45 8.26 0.26 0.00 4.77 -1.09 -4.12 117.00 122.63 3dkr n LEU 203 Ca 0.05 -4.45 0.15 0.00 -0.03 0.00 0.00 56.01 51.73 3dkr n LEU 203 Cb 0.46 -1.48 0.67 0.00 -2.33 0.00 0.00 43.42 40.73 3dkr n LEU 203 CO 0.32 2.04 0.94 0.16 -1.33 0.00 0.00 177.39 179.52 3dkr h ILE 204 N 2.78 0.29 -0.04 -0.08 3.07 -1.83 -2.90 117.51 118.80 3dkr h ILE 204 Ca 0.77 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 66.51 3dkr h ILE 204 Cb 0.38 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 3dkr h ILE 204 CO 1.56 0.09 0.00 0.59 -1.05 0.00 0.00 178.15 179.35 3dkr n ASN 205 N -3.29 2.25 -4.76 2.16 3.02 -1.26 -5.00 115.26 108.37 3dkr n ASN 205 Ca -0.00 -1.62 -0.41 0.00 -0.03 0.00 0.00 54.58 52.52 3dkr n ASN 205 Cb 0.31 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 3dkr n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dkr s ALA 206 N -1.19 3.56 0.29 5.41 0.00 -0.78 -4.31 121.76 124.75 3dkr s ALA 206 Ca 0.18 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.51 3dkr s ALA 206 Cb 0.12 -3.53 0.63 0.00 0.00 0.00 0.00 23.12 20.34 3dkr s ALA 206 CO 0.18 -0.75 1.82 0.00 0.00 0.00 0.00 175.76 177.01 3dkr h ALA 207 N 3.96 1.59 -2.82 0.00 0.00 -0.92 -3.44 119.26 117.63 3dkr h ALA 207 Ca -0.48 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3dkr h ALA 207 Cb 1.22 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 3dkr h ALA 207 CO 0.70 0.12 0.15 -0.98 0.00 0.00 0.00 179.25 179.24 3dkr s ARG 208 N -5.91 1.20 -0.19 0.00 1.70 -1.26 -4.95 118.95 109.54 3dkr s ARG 208 Ca -0.12 -0.42 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 3dkr s ARG 208 Cb 0.23 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 35.21 3dkr s ARG 208 CO 0.81 -0.50 -0.09 0.08 -1.08 0.00 0.00 175.30 174.52 3dkr s VAL 209 N -3.39 1.54 -0.49 4.99 1.01 -1.26 -1.16 120.40 121.64 3dkr s VAL 209 Ca -0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3dkr s VAL 209 Cb -0.00 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.81 3dkr s VAL 209 CO -0.10 0.15 0.45 -0.62 0.00 0.00 0.00 175.10 174.99 3dkr s ASP 210 N 1.44 6.17 -0.17 3.32 2.15 0.58 -4.99 116.67 125.17 3dkr s ASP 210 Ca -0.01 -1.32 -0.05 0.00 0.43 0.00 0.00 52.55 51.60 3dkr s ASP 210 Cb -0.16 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 3dkr s ASP 210 CO -0.08 -0.72 -0.00 0.12 -0.17 0.00 0.00 175.17 174.31 3dkr s PHE 211 N 1.82 3.09 -0.04 -5.34 5.36 -1.26 -0.88 117.98 120.73 3dkr s PHE 211 Ca 0.06 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 55.82 3dkr s PHE 211 Cb -0.24 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.45 3dkr s PHE 211 CO 0.07 -0.01 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.78 3dkr s HIS 212 N 0.46 0.66 -0.15 10.12 3.76 0.97 -4.99 115.29 126.12 3dkr s HIS 212 Ca -0.01 -0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 3dkr s HIS 212 Cb -0.14 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 3dkr s HIS 212 CO 0.02 -0.19 -0.02 -0.46 -0.85 0.00 0.00 174.74 173.24 3dkr s TRP 213 N 1.01 3.06 -0.69 1.40 -0.11 -1.26 -1.72 118.94 120.63 3dkr s TRP 213 Ca -0.10 -0.23 -0.07 0.00 1.22 0.00 0.00 56.10 56.92 3dkr s TRP 213 Cb -0.14 -1.96 0.18 0.00 -1.50 0.00 0.00 33.47 30.05 3dkr s TRP 213 CO -0.01 0.01 0.55 0.71 -4.62 0.00 0.00 176.95 173.59 3dkr s TYR 214 N 0.30 3.53 0.16 5.86 2.02 -0.36 -4.96 117.35 123.90 3dkr s TYR 214 Ca -0.02 -2.41 -0.18 0.00 -0.37 0.00 0.00 57.07 54.09 3dkr s TYR 214 Cb -0.14 -3.43 0.08 0.00 -0.40 0.00 0.00 41.96 38.06 3dkr s TYR 214 CO 0.03 -0.90 1.67 -0.44 -1.57 0.00 0.00 175.55 174.33 3dkr h ASP 215 N 7.38 -0.37 -0.65 2.29 3.32 -1.94 0.12 116.42 126.58 3dkr h ASP 215 Ca 0.01 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3dkr h ASP 215 Cb 0.99 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3dkr h ASP 215 CO 0.74 -0.13 0.00 0.47 -1.72 0.00 0.00 179.24 178.59 3dkr n ASP 216 N -5.30 3.78 -4.85 6.45 9.92 -1.26 -3.85 116.55 121.45 3dkr n ASP 216 Ca 0.01 -2.03 -0.35 0.00 -0.53 0.00 0.00 54.79 51.90 3dkr n ASP 216 Cb 0.21 -0.44 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 3dkr n ASP 216 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dkr s ALA 217 N -1.05 3.60 1.06 2.24 0.00 -0.98 -4.67 121.76 121.97 3dkr s ALA 217 Ca 0.44 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 3dkr s ALA 217 Cb 0.23 -2.47 0.19 0.00 0.00 0.00 0.00 23.12 21.07 3dkr s ALA 217 CO 0.29 0.48 0.93 1.63 0.00 0.00 0.00 175.76 179.09 3dkr n LYS 218 N 0.72 -1.52 -0.06 0.00 5.02 -1.26 -0.98 118.16 120.08 3dkr n LYS 218 Ca -0.05 -1.45 -0.08 0.00 -2.02 0.00 0.00 58.31 54.72 3dkr n LYS 218 Cb 0.52 -1.08 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 3dkr n LYS 218 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dkr h HIS 219 N -1.86 -0.05 -1.62 2.13 -0.00 -1.93 -3.35 115.15 108.48 3dkr h HIS 219 Ca -0.31 0.02 -0.73 0.00 -0.00 0.00 0.00 60.37 59.34 3dkr h HIS 219 Cb 0.90 0.06 -0.15 0.00 -0.00 0.00 0.00 27.41 28.22 3dkr h HIS 219 CO 0.00 -0.06 1.78 0.28 -0.00 0.00 0.00 177.93 179.93 3dkr n VAL 220 N -5.17 4.18 0.45 5.26 0.31 -1.26 -4.68 118.33 117.41 3dkr n VAL 220 Ca -0.01 -4.44 0.07 0.00 -0.01 0.00 0.00 64.34 59.95 3dkr n VAL 220 Cb 0.14 -2.43 0.30 0.00 -0.91 0.00 0.00 33.84 30.94 3dkr n VAL 220 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3dkr n ILE 221 N 4.59 1.06 0.57 2.52 -5.35 -1.26 -1.59 119.36 119.91 3dkr n ILE 221 Ca 0.40 0.27 0.13 0.00 -0.27 0.00 0.00 62.75 63.28 3dkr n ILE 221 Cb 0.41 -1.06 0.43 0.00 -1.74 0.00 0.00 39.64 37.69 3dkr n ILE 221 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3dkr n THR 222 N -1.56 0.65 -0.01 7.28 -2.24 -1.26 -2.62 114.28 114.52 3dkr n THR 222 Ca 0.03 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 3dkr n THR 222 Cb 0.16 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 3dkr n THR 222 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3dkr n VAL 223 N -2.26 0.07 -1.48 2.28 0.31 -0.62 -4.42 118.33 112.20 3dkr n VAL 223 Ca 0.05 -0.04 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 3dkr n VAL 223 Cb 0.38 -0.85 0.01 0.00 -0.91 0.00 0.00 33.84 32.47 3dkr n VAL 223 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3dkr n ASN 224 N -2.18 0.02 0.16 4.52 0.23 -0.78 -4.83 115.26 112.40 3dkr n ASN 224 Ca -0.02 -1.02 0.11 0.00 -0.53 0.00 0.00 54.58 53.12 3dkr n ASN 224 Cb 0.53 -0.03 0.57 0.00 -2.08 0.00 0.00 39.78 38.77 3dkr n ASN 224 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3dkr n SER 225 N -3.02 0.56 0.00 0.53 3.41 -1.26 -1.11 113.62 112.73 3dkr n SER 225 Ca 0.01 0.75 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 3dkr n SER 225 Cb 0.02 -0.83 0.52 0.00 -0.26 0.00 0.00 64.21 63.66 3dkr n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dkr n ALA 226 N -1.77 2.10 0.01 7.33 0.00 -1.26 -4.31 120.51 122.61 3dkr n ALA 226 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 3dkr n ALA 226 Cb 0.05 -1.38 0.18 0.00 0.00 0.00 0.00 19.45 18.30 3dkr n ALA 226 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3dkr h HIS 227 N 0.00 0.55 -0.52 0.00 2.07 -0.86 -1.11 115.15 115.28 3dkr h HIS 227 Ca 0.00 -0.12 -0.04 0.00 -2.85 0.00 0.00 60.37 57.36 3dkr h HIS 227 Cb 0.37 -0.13 -0.02 0.00 2.57 0.00 0.00 27.41 30.19 3dkr h HIS 227 CO 0.00 0.72 0.19 0.45 -3.07 0.00 0.00 177.93 176.22 3dkr h HIS 228 N 0.42 0.81 -0.51 6.12 3.86 -1.83 -0.84 115.15 123.19 3dkr h HIS 228 Ca 0.06 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3dkr h HIS 228 Cb 0.72 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 3dkr h HIS 228 CO 0.02 0.68 0.25 0.00 0.86 0.00 0.00 177.93 179.75 3dkr h ALA 229 N 1.04 0.65 -0.33 2.45 0.00 -1.74 -1.58 119.26 119.75 3dkr h ALA 229 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dkr h ALA 229 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dkr h ALA 229 CO -0.01 0.20 0.20 1.25 0.00 0.00 0.00 179.25 180.89 3dkr h LEU 230 N 0.67 0.40 -0.27 0.00 5.85 -1.00 -0.75 115.31 120.21 3dkr h LEU 230 Ca 0.17 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3dkr h LEU 230 Cb 0.10 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3dkr h LEU 230 CO -0.02 0.34 0.07 -0.33 -0.34 0.00 0.00 178.44 178.15 3dkr h GLU 231 N 0.43 0.17 -0.68 1.25 5.08 -0.97 0.12 114.58 119.97 3dkr h GLU 231 Ca 0.12 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3dkr h GLU 231 Cb 0.01 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3dkr h GLU 231 CO -0.02 0.11 0.42 0.93 -1.00 0.00 0.00 179.01 179.45 3dkr h GLU 232 N 0.17 0.78 -0.46 2.33 3.07 -1.05 -1.00 114.58 118.41 3dkr h GLU 232 Ca 0.12 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 3dkr h GLU 232 Cb 0.12 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3dkr h GLU 232 CO -0.15 0.51 0.07 -0.44 -1.40 0.00 0.00 179.01 177.60 3dkr h ASP 233 N 0.80 0.75 -0.51 1.42 3.32 -0.46 -0.54 116.42 121.20 3dkr h ASP 233 Ca 0.28 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3dkr h ASP 233 Cb 0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3dkr h ASP 233 CO -0.13 0.83 0.07 0.58 -1.72 0.00 0.00 179.24 178.87 3dkr h VAL 234 N 0.64 1.25 -0.49 -1.35 2.07 -0.54 -1.05 116.25 116.79 3dkr h VAL 234 Ca 0.14 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3dkr h VAL 234 Cb 0.40 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3dkr h VAL 234 CO 0.01 0.35 0.08 0.40 0.02 0.00 0.00 177.57 178.43 3dkr h ILE 235 N 0.74 1.25 -0.85 4.57 2.04 -1.08 -1.22 117.51 122.96 3dkr h ILE 235 Ca 0.15 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3dkr h ILE 235 Cb 0.42 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3dkr h ILE 235 CO 0.01 0.33 0.54 0.00 0.00 0.00 0.00 178.15 179.03 3dkr h ALA 236 N 0.97 1.13 -0.35 1.87 0.00 -0.90 -0.01 119.26 121.97 3dkr h ALA 236 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dkr h ALA 236 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dkr h ALA 236 CO 0.01 0.34 0.21 0.35 0.00 0.00 0.00 179.25 180.16 3dkr h PHE 237 N 1.02 0.40 -0.50 0.00 3.57 -0.79 -1.87 116.94 118.78 3dkr h PHE 237 Ca 0.35 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.75 3dkr h PHE 237 Cb 0.07 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3dkr h PHE 237 CO -0.03 0.24 -0.11 0.52 -2.23 0.00 0.00 178.31 176.70 3dkr h MET 238 N 0.44 0.93 0.00 1.11 2.86 -0.84 -3.05 114.93 116.37 3dkr h MET 238 Ca 0.13 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 3dkr h MET 238 Cb -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3dkr h MET 238 CO -0.05 0.99 -0.21 1.96 1.06 0.00 0.00 176.91 180.65 3dkr h GLN 239 N 0.83 0.00 -0.01 1.72 1.08 -0.65 -1.25 115.11 116.83 3dkr h GLN 239 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3dkr h GLN 239 Cb 0.65 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3dkr h GLN 239 CO 0.05 0.21 0.04 1.96 -0.95 0.00 0.00 178.83 180.13 3dkr h GLN 240 N 0.00 0.00 0.00 1.46 1.08 -1.23 -1.59 115.11 114.83 3dkr h GLN 240 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dkr h GLN 240 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3dkr h GLN 240 CO 0.03 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.30 3dkr n GLU 241 N -3.26 0.40 -1.85 1.46 -0.58 -0.47 -4.88 120.64 111.46 3dkr n GLU 241 Ca -0.03 0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.40 3dkr n GLU 241 Cb 0.11 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.51 3dkr n GLU 241 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dkr s ASN 242 N -2.58 5.39 0.00 1.62 0.01 -0.60 -5.18 114.94 113.60 3dkr s ASN 242 Ca 0.27 1.90 0.28 0.00 -0.71 0.00 0.00 52.86 54.60 3dkr s ASN 242 Cb 0.19 -2.54 1.68 0.00 0.41 0.00 0.00 41.25 40.99 3dkr s ASN 242 CO 0.44 -1.44 2.02 -0.62 -1.51 0.00 0.00 177.10 176.00