#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m7k s THR 2 N 0.00 5.28 0.06 1.12 2.01 0.22 -4.73 115.64 119.61 3m7k s THR 2 Ca 0.00 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.47 3m7k s THR 2 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 3m7k s THR 2 CO 0.00 0.02 0.67 -1.58 -0.69 0.00 0.00 174.62 173.04 3m7k s GLN 3 N -2.80 4.38 -0.12 4.92 0.74 -1.26 -0.28 119.66 125.24 3m7k s GLN 3 Ca 0.37 0.90 -0.27 0.00 0.05 0.00 0.00 55.36 56.41 3m7k s GLN 3 Cb -0.12 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 3m7k s GLN 3 CO 0.27 0.45 0.87 0.00 -0.55 0.00 0.00 175.29 176.34 3m7k n PRO 5 N 4.80 0.09 -0.11 0.00 -0.04 -1.26 -0.09 135.00 138.39 3m7k n PRO 5 Ca 0.05 0.33 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 3m7k n PRO 5 Cb 0.49 -1.67 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 3m7k n PRO 5 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3m7k n ARG 6 N -1.84 0.55 0.08 0.54 3.00 -1.26 -4.57 116.66 113.16 3m7k n ARG 6 Ca 0.03 0.42 0.12 0.00 -0.00 0.00 0.00 57.85 58.41 3m7k n ARG 6 Cb 0.19 -1.61 0.07 0.00 0.00 0.00 0.00 32.46 31.11 3m7k n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3m7k n GLN 8 N -2.38 -0.39 -2.53 0.00 1.13 0.87 -5.01 117.38 109.07 3m7k n GLN 8 Ca 0.01 0.10 -0.38 0.00 -1.94 0.00 0.00 57.00 54.80 3m7k n GLN 8 Cb 0.49 -3.40 -0.04 0.00 0.11 0.00 0.00 30.24 27.40 3m7k n GLN 8 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3m7k s ARG 9 N -0.46 4.32 -0.24 -1.09 0.52 -1.25 -4.65 118.95 116.09 3m7k s ARG 9 Ca 0.00 1.59 -0.25 0.00 -0.52 0.00 0.00 55.73 56.54 3m7k s ARG 9 Cb 0.00 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.73 3m7k s ARG 9 CO 0.00 -0.02 0.87 1.21 0.02 0.00 0.00 175.30 177.38 3m7k s ASN 10 N -1.37 6.88 0.02 0.23 3.84 -1.26 -0.84 114.94 122.44 3m7k s ASN 10 Ca 0.54 1.09 -0.02 0.00 0.21 0.00 0.00 52.86 54.68 3m7k s ASN 10 Cb -0.25 -2.46 -0.01 0.00 -0.55 0.00 0.00 41.25 37.98 3m7k s ASN 10 CO 0.31 -0.55 0.02 -0.76 -2.79 0.00 0.00 177.10 173.33 3m7k s LEU 11 N 2.92 2.04 0.79 3.21 1.43 0.61 -4.94 118.68 124.74 3m7k s LEU 11 Ca 0.37 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3m7k s LEU 11 Cb -0.15 0.27 0.06 0.00 0.03 0.00 0.00 46.19 46.41 3m7k s LEU 11 CO 0.07 -0.33 1.09 0.00 0.23 0.00 0.00 176.35 177.41 3m7k s ALA 12 N -1.51 2.18 0.41 4.21 0.00 -1.26 0.30 121.76 126.08 3m7k s ALA 12 Ca -0.15 0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.22 3m7k s ALA 12 Cb -0.09 -3.26 1.10 0.00 0.00 0.00 0.00 23.12 20.87 3m7k s ALA 12 CO -0.00 -1.83 1.80 0.00 0.00 0.00 0.00 175.76 175.72 3m7k h ALA 13 N -1.18 2.23 0.00 0.00 0.00 -1.96 -0.99 119.26 117.37 3m7k h ALA 13 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3m7k h ALA 13 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3m7k h ALA 13 CO 0.52 -0.59 0.00 -0.40 0.00 0.00 0.00 179.25 178.78 3m7k n ASP 14 N -4.57 0.00 -0.68 0.00 5.75 -1.26 -1.55 116.55 114.24 3m7k n ASP 14 Ca 0.23 -0.00 0.13 0.00 -0.01 0.00 0.00 54.79 55.14 3m7k n ASP 14 Cb 0.82 -0.27 0.34 0.00 -1.03 0.00 0.00 41.12 40.98 3m7k n ASP 14 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3m7k n GLU 15 N -1.27 1.95 -4.28 0.11 4.07 -0.38 -4.68 120.64 116.16 3m7k n GLU 15 Ca 0.09 -1.38 -0.23 0.00 -0.06 0.00 0.00 57.16 55.58 3m7k n GLU 15 Cb 0.14 -1.47 -0.07 0.00 -0.06 0.00 0.00 31.44 29.97 3m7k n GLU 15 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 3m7k s PHE 16 N -2.00 2.66 0.53 4.31 0.40 -0.59 -0.50 117.98 122.78 3m7k s PHE 16 Ca 0.34 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 3m7k s PHE 16 Cb 0.21 -1.27 -0.06 0.00 0.51 0.00 0.00 43.02 42.40 3m7k s PHE 16 CO 0.32 0.57 0.95 0.71 0.70 0.00 0.00 175.22 178.47 3m7k s TYR 17 N -2.37 3.52 -0.63 0.36 1.51 -1.26 -4.91 117.35 113.57 3m7k s TYR 17 Ca 0.32 1.29 0.25 0.00 -1.01 0.00 0.00 57.07 57.92 3m7k s TYR 17 Cb -0.05 -2.67 0.55 0.00 -0.11 0.00 0.00 41.96 39.68 3m7k s TYR 17 CO 0.20 -0.42 1.57 0.00 -1.11 0.00 0.00 175.55 175.79 3m7k h ALA 18 N 0.52 0.84 -3.00 3.71 0.00 -1.94 -3.46 119.26 115.92 3m7k h ALA 18 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3m7k h ALA 18 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3m7k h ALA 18 CO 0.62 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3m7k n GLY 19 N 1.28 0.35 0.22 0.00 0.00 -1.26 -4.97 105.19 100.81 3m7k n GLY 19 Ca 0.04 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.40 3m7k n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m7k n SER 20 N 0.00 0.64 -4.76 1.61 3.41 -1.26 -4.90 113.62 108.36 3m7k n SER 20 Ca 0.00 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.42 3m7k n SER 20 Cb 0.00 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3m7k n SER 20 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3m7k s SER 21 N -1.26 6.92 0.00 4.04 0.01 -1.26 -4.96 113.70 117.19 3m7k s SER 21 Ca 0.18 2.55 0.22 0.00 1.31 0.00 0.00 55.95 60.21 3m7k s SER 21 Cb 0.09 -2.64 -0.28 0.00 0.21 0.00 0.00 66.02 63.40 3m7k s SER 21 CO 0.14 -0.43 0.55 0.29 0.41 0.00 0.00 173.24 174.21 3m7k n LYS 22 N 1.07 0.65 -2.45 12.44 5.02 -1.26 -4.74 118.16 128.89 3m7k n LYS 22 Ca 0.00 -0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 55.77 3m7k n LYS 22 Cb 0.43 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 3m7k n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m7k s MET 23 N -3.44 4.32 0.91 1.97 0.23 -1.26 -4.51 119.30 117.52 3m7k s MET 23 Ca -0.07 1.71 -0.12 0.00 -1.03 0.00 0.00 55.69 56.18 3m7k s MET 23 Cb 0.13 -2.82 0.14 0.00 -1.53 0.00 0.00 34.83 30.74 3m7k s MET 23 CO 0.89 -0.05 1.10 0.00 -2.03 0.00 0.00 175.02 174.93 3m7k h LYS 25 N -1.56 1.06 -0.51 0.00 1.57 -1.15 -1.38 116.57 114.60 3m7k h LYS 25 Ca -0.51 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.13 3m7k h LYS 25 Cb 1.31 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 3m7k h LYS 25 CO 0.58 0.78 0.21 0.78 -0.57 0.00 0.00 179.45 181.23 3m7k h GLY 26 N 1.11 0.82 0.90 3.86 0.00 -1.93 0.13 103.07 107.95 3m7k h GLY 26 Ca 0.27 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3m7k h GLY 26 CO -0.04 0.41 -0.11 0.00 0.00 0.00 0.00 176.54 176.80 3m7k h MET 28 N 0.35 0.84 -0.63 0.00 -1.53 -1.16 -0.98 114.93 111.81 3m7k h MET 28 Ca 0.07 -0.27 -0.09 0.00 -3.44 0.00 0.00 59.70 55.97 3m7k h MET 28 Cb 0.61 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.56 3m7k h MET 28 CO 0.04 0.89 0.04 1.15 0.14 0.00 0.00 176.91 179.17 3m7k h THR 29 N 0.69 1.27 -0.52 -0.77 2.02 -0.68 -1.26 112.91 113.65 3m7k h THR 29 Ca 0.13 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 3m7k h THR 29 Cb 0.52 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3m7k h THR 29 CO 0.03 0.41 0.31 -0.25 0.37 0.00 0.00 175.52 176.38 3m7k h TRP 30 N 1.00 0.70 -0.57 3.16 2.91 -0.83 0.14 115.95 122.45 3m7k h TRP 30 Ca 0.19 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.24 3m7k h TRP 30 Cb 0.52 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.90 3m7k h TRP 30 CO 0.04 0.49 0.32 0.37 -1.03 0.00 0.00 178.44 178.63 3m7k h GLN 31 N 0.70 0.61 -0.35 2.65 4.15 -0.96 -1.06 115.11 120.85 3m7k h GLN 31 Ca 0.19 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 3m7k h GLN 31 Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3m7k h GLN 31 CO -0.03 0.40 0.07 -0.91 -1.93 0.00 0.00 178.83 176.43 3m7k h ASN 32 N 0.62 0.55 -0.33 -0.69 2.35 -0.93 -1.49 115.58 115.67 3m7k h ASN 32 Ca 0.24 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3m7k h ASN 32 Cb 0.09 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 3m7k h ASN 32 CO -0.13 0.66 0.11 0.25 -1.65 0.00 0.00 177.43 176.66 3m7k h LEU 33 N 0.42 0.10 0.46 1.61 6.46 -0.64 0.33 115.31 124.04 3m7k h LEU 33 Ca 0.11 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3m7k h LEU 33 Cb 0.33 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 3m7k h LEU 33 CO 0.00 0.09 -0.22 0.28 -0.62 0.00 0.00 178.44 177.98 3m7k h SER 34 N 0.24 -0.52 -0.35 1.25 0.02 -1.04 -0.59 113.55 112.56 3m7k h SER 34 Ca 0.15 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3m7k h SER 34 Cb 0.13 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3m7k h SER 34 CO -0.16 -0.34 0.14 0.22 -1.14 0.00 0.00 176.83 175.54 3m7k h TYR 35 N -0.66 0.24 -0.52 3.45 3.20 -1.19 -2.18 116.97 119.31 3m7k h TYR 35 Ca -0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3m7k h TYR 35 Cb 0.49 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3m7k h TYR 35 CO -0.03 0.11 0.34 -0.91 -1.64 0.00 0.00 178.16 176.03 3m7k h ASN 36 N 0.29 0.60 -0.25 -2.11 2.35 -0.26 0.79 115.58 117.01 3m7k h ASN 36 Ca 0.16 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3m7k h ASN 36 Cb 0.12 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3m7k h ASN 36 CO -0.15 0.44 0.13 0.00 -1.65 0.00 0.00 177.43 176.20 3m7k h ALA 37 N 1.18 0.30 -0.41 -0.83 0.00 -0.94 -0.55 119.26 118.01 3m7k h ALA 37 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3m7k h ALA 37 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3m7k h ALA 37 CO -0.04 -0.27 -0.30 -0.97 0.00 0.00 0.00 179.25 177.67 3m7k h ASN 38 N 0.27 0.95 -0.46 0.00 -0.73 -1.24 0.18 115.58 114.54 3m7k h ASN 38 Ca 0.10 -0.39 -0.06 0.00 1.87 0.00 0.00 56.30 57.81 3m7k h ASN 38 Cb 0.02 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.32 3m7k h ASN 38 CO -0.06 1.17 0.07 0.50 -0.37 0.00 0.00 177.43 178.74 3m7k h LYS 39 N 0.76 0.84 -0.01 6.67 3.64 -0.48 -3.18 116.57 124.82 3m7k h LYS 39 Ca 0.08 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3m7k h LYS 39 Cb 0.87 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3m7k h LYS 39 CO 0.08 0.80 -0.47 0.39 -2.27 0.00 0.00 179.45 177.98 3m7k n GLU 40 N -4.24 0.77 -2.13 1.90 -0.58 -0.25 -4.96 120.64 111.15 3m7k n GLU 40 Ca 0.03 -0.56 -0.02 0.00 -0.42 0.00 0.00 57.16 56.19 3m7k n GLU 40 Cb 0.27 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 3m7k n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m7k n GLY 41 N 1.41 0.36 3.89 0.62 0.00 -0.50 -5.05 105.19 105.92 3m7k n GLY 41 Ca 0.09 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 3m7k n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m7k s HIS 42 N -2.25 3.59 0.74 1.61 3.76 0.50 -5.03 115.29 118.20 3m7k s HIS 42 Ca 0.01 0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 55.29 3m7k s HIS 42 Cb -0.00 -1.92 0.04 0.00 1.11 0.00 0.00 32.58 31.80 3m7k s HIS 42 CO 0.01 0.69 1.11 0.00 -0.85 0.00 0.00 174.74 175.70 3m7k s ALA 43 N -1.17 2.27 -0.27 -1.40 0.00 -1.26 -4.32 121.76 115.62 3m7k s ALA 43 Ca 0.21 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 3m7k s ALA 43 Cb -0.13 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.78 3m7k s ALA 43 CO 0.11 -1.66 0.13 1.21 0.00 0.00 0.00 175.76 175.55 3m7k s ASN 44 N -3.00 3.16 0.00 0.00 2.47 -1.25 -0.95 114.94 115.37 3m7k s ASN 44 Ca 0.64 -1.11 0.24 0.00 0.42 0.00 0.00 52.86 53.05 3m7k s ASN 44 Cb -0.19 -0.26 0.32 0.00 -1.45 0.00 0.00 41.25 39.67 3m7k s ASN 44 CO 0.51 -0.42 1.29 0.35 -3.72 0.00 0.00 177.10 175.11 3m7k n THR 45 N 5.26 0.00 -1.83 -5.21 -2.24 -0.26 -4.90 114.28 105.11 3m7k n THR 45 Ca -0.06 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 3m7k n THR 45 Cb 0.44 0.78 0.02 0.00 -2.10 0.00 0.00 70.33 69.46 3m7k n THR 45 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3m7k s PHE 46 N -2.61 2.48 0.32 4.78 0.40 -1.26 -4.89 117.98 117.20 3m7k s PHE 46 Ca 0.19 1.29 0.06 0.00 -0.60 0.00 0.00 56.93 57.86 3m7k s PHE 46 Cb 0.18 -3.88 -0.01 0.00 0.51 0.00 0.00 43.02 39.82 3m7k s PHE 46 CO 0.60 -2.85 0.46 0.95 0.70 0.00 0.00 175.22 175.09 3m7k s THR 47 N -1.22 4.29 0.19 0.64 -4.23 -1.26 -4.96 115.64 109.09 3m7k s THR 47 Ca 0.61 -0.96 -0.12 0.00 -1.18 0.00 0.00 61.69 60.04 3m7k s THR 47 Cb -0.43 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.01 3m7k s THR 47 CO 0.55 -0.20 1.75 0.50 -0.54 0.00 0.00 174.62 176.68 3m7k h LYS 48 N 0.91 0.36 -0.40 3.99 3.64 -1.98 0.11 116.57 123.20 3m7k h LYS 48 Ca -0.47 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 3m7k h LYS 48 Cb 1.25 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 3m7k h LYS 48 CO 0.54 0.24 0.24 0.00 -2.27 0.00 0.00 179.45 178.20 3m7k h ALA 49 N 1.34 0.51 -0.44 5.00 0.00 -1.99 0.18 119.26 123.85 3m7k h ALA 49 Ca 0.24 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3m7k h ALA 49 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3m7k h ALA 49 CO -0.24 -0.09 -0.22 0.00 0.00 0.00 0.00 179.25 178.70 3m7k h THR 50 N 0.49 1.27 -0.51 0.00 1.03 -1.89 -2.37 112.91 110.93 3m7k h THR 50 Ca 0.16 -1.36 -0.01 0.00 -0.01 0.00 0.00 66.41 65.19 3m7k h THR 50 Cb 0.00 1.16 -0.02 0.00 -1.07 0.00 0.00 68.15 68.22 3m7k h THR 50 CO -0.07 0.46 0.30 0.15 -0.01 0.00 0.00 175.52 176.35 3m7k h PHE 51 N 0.78 0.69 -0.57 0.00 3.57 -0.40 0.16 116.94 121.17 3m7k h PHE 51 Ca 0.10 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3m7k h PHE 51 Cb 0.77 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3m7k h PHE 51 CO 0.05 0.49 0.11 -0.07 -2.23 0.00 0.00 178.31 176.65 3m7k h LEU 52 N 0.69 0.84 -0.50 0.59 3.38 -0.89 0.39 115.31 119.81 3m7k h LEU 52 Ca 0.18 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3m7k h LEU 52 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3m7k h LEU 52 CO -0.03 0.84 -0.23 0.00 0.09 0.00 0.00 178.44 179.11 3m7k h ALA 53 N 1.26 0.70 -0.61 1.53 0.00 -1.20 -2.45 119.26 118.49 3m7k h ALA 53 Ca 0.18 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3m7k h ALA 53 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3m7k h ALA 53 CO 0.00 0.67 0.14 2.35 0.00 0.00 0.00 179.25 182.42 3m7k h TRP 54 N 0.84 1.03 0.00 0.00 7.01 -0.35 -3.11 115.95 121.37 3m7k h TRP 54 Ca 0.11 -0.13 -0.07 0.00 2.11 0.00 0.00 58.89 60.91 3m7k h TRP 54 Cb 0.81 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3m7k h TRP 54 CO 0.05 0.87 -0.34 -0.92 -2.79 0.00 0.00 178.44 175.31 3m7k h TYR 55 N 0.89 0.00 0.00 2.65 -0.00 -0.12 -3.48 116.97 116.92 3m7k h TYR 55 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.92 3m7k h TYR 55 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.09 3m7k h TYR 55 CO 0.03 0.34 0.00 0.41 -0.00 0.00 0.00 178.16 178.94 3m7k n GLY 56 N 0.23 2.28 3.32 1.82 0.00 -0.93 -4.82 105.19 107.10 3m7k n GLY 56 Ca -0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3m7k n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m7k s LEU 57 N 0.00 2.39 0.28 0.99 1.43 -1.26 -4.97 118.68 117.54 3m7k s LEU 57 Ca 0.00 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 3m7k s LEU 57 Cb 0.00 -0.86 0.69 0.00 0.03 0.00 0.00 46.19 46.04 3m7k s LEU 57 CO 0.00 0.01 1.71 -1.28 0.23 0.00 0.00 176.35 177.01 3m7k h SER 58 N 3.55 0.36 1.16 2.29 0.87 -1.87 0.11 113.55 120.02 3m7k h SER 58 Ca -0.44 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3m7k h SER 58 Cb 1.20 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3m7k h SER 58 CO 0.47 0.04 0.00 0.00 -0.53 0.00 0.00 176.83 176.81 3m7k h ALA 59 N 1.68 1.00 0.00 6.23 0.00 -1.97 -2.64 119.26 123.56 3m7k h ALA 59 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3m7k h ALA 59 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3m7k h ALA 59 CO -0.50 0.00 -0.96 1.04 0.00 0.00 0.00 179.25 178.84 3m7k n GLN 60 N -2.63 0.24 -2.64 0.00 1.13 0.01 -4.94 117.38 108.56 3m7k n GLN 60 Ca 0.03 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 3m7k n GLN 60 Cb 0.34 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 3m7k n GLN 60 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3m7k s ARG 61 N -3.16 4.40 0.02 -1.09 0.52 -1.00 -5.00 118.95 113.64 3m7k s ARG 61 Ca 0.05 1.45 0.01 0.00 -0.52 0.00 0.00 55.73 56.72 3m7k s ARG 61 Cb 0.15 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 3m7k s ARG 61 CO 0.79 -0.36 -0.05 -1.01 0.02 0.00 0.00 175.30 174.69 3m7k s HIS 62 N 2.14 0.46 0.20 -0.53 3.76 -1.26 -1.71 115.29 118.34 3m7k s HIS 62 Ca 0.50 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.74 3m7k s HIS 62 Cb -0.19 -0.29 -0.10 0.00 1.11 0.00 0.00 32.58 33.11 3m7k s HIS 62 CO 0.18 -0.08 1.50 0.00 -0.85 0.00 0.00 174.74 175.49 3m7k n GLY 64 N 3.03 -1.03 0.28 0.00 0.00 0.22 -1.08 105.19 106.61 3m7k n GLY 64 Ca 0.11 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 3m7k n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m7k n TYR 65 N -1.30 0.00 0.72 1.61 4.02 -1.26 -4.80 117.16 116.14 3m7k n TYR 65 Ca 0.10 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.09 3m7k n TYR 65 Cb 0.18 -0.66 -0.12 0.00 -0.02 0.00 0.00 39.34 38.72 3m7k n TYR 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3m7k n GLY 67 N 1.43 0.91 3.77 0.00 0.00 -0.24 -4.18 105.19 106.89 3m7k n GLY 67 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3m7k n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3m7k s ILE 68 N -3.63 2.48 0.62 -0.61 2.07 -1.26 -4.45 121.20 116.41 3m7k s ILE 68 Ca 0.00 0.45 -0.12 0.00 -1.41 0.00 0.00 60.65 59.57 3m7k s ILE 68 Cb 0.00 -3.27 -0.03 0.00 0.13 0.00 0.00 42.46 39.29 3m7k s ILE 68 CO 0.00 0.08 1.03 -0.94 -1.91 0.00 0.00 174.94 173.20 3m7k s SER 69 N -0.57 6.06 0.25 4.50 1.04 -0.35 -0.58 113.70 124.04 3m7k s SER 69 Ca 0.55 1.50 -0.04 0.00 0.48 0.00 0.00 55.95 58.44 3m7k s SER 69 Cb -0.40 -2.48 0.39 0.00 0.10 0.00 0.00 66.02 63.62 3m7k s SER 69 CO 0.53 -0.98 1.84 -0.08 0.98 0.00 0.00 173.24 175.52 3m7k h GLU 70 N -0.24 0.91 -0.66 4.02 4.81 -1.56 0.87 114.58 122.74 3m7k h GLU 70 Ca -0.44 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 3m7k h GLU 70 Cb 1.20 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3m7k h GLU 70 CO 0.61 0.61 0.08 0.00 -0.73 0.00 0.00 179.01 179.57 3m7k h ALA 71 N 1.44 0.89 -0.14 2.92 0.00 -1.87 -0.74 119.26 121.76 3m7k h ALA 71 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3m7k h ALA 71 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3m7k h ALA 71 CO -0.21 0.67 0.09 0.78 0.00 0.00 0.00 179.25 180.59 3m7k h GLY 72 N 1.04 0.20 1.01 0.00 0.00 -1.69 -1.87 103.07 101.77 3m7k h GLY 72 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3m7k h GLY 72 CO 0.02 0.08 0.35 -2.75 0.00 0.00 0.00 176.54 174.23 3m7k h PHE 73 N 0.18 1.04 -0.92 5.60 3.57 -0.74 -2.12 116.94 123.55 3m7k h PHE 73 Ca 0.05 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.63 3m7k h PHE 73 Cb -0.01 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.34 3m7k h PHE 73 CO -0.06 0.76 0.59 1.15 -2.23 0.00 0.00 178.31 178.52 3m7k h THR 74 N 1.01 0.89 0.00 4.41 2.02 -0.92 -1.37 112.91 118.95 3m7k h THR 74 Ca 0.25 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3m7k h THR 74 Cb 0.12 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3m7k h THR 74 CO -0.03 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.47 3m7k n SER 75 N -4.57 0.41 0.19 4.18 3.41 -0.72 -1.77 113.62 114.75 3m7k n SER 75 Ca 0.17 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 3m7k n SER 75 Cb 0.40 -0.68 0.42 0.00 -0.26 0.00 0.00 64.21 64.09 3m7k n SER 75 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3m7k h LEU 76 N 0.00 0.00 -1.69 1.04 3.38 -1.11 -3.48 115.31 113.46 3m7k h LEU 76 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3m7k h LEU 76 Cb 0.38 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.16 3m7k h LEU 76 CO 0.00 0.00 -0.83 1.41 0.09 0.00 0.00 178.44 179.11 3m7k n HIS 77 N -2.76 -1.94 -2.62 1.13 8.25 -0.73 -4.97 115.22 111.58 3m7k n HIS 77 Ca 0.03 0.84 -0.34 0.00 -0.26 0.00 0.00 57.72 58.00 3m7k n HIS 77 Cb 0.39 -4.29 -0.04 0.00 1.12 0.00 0.00 29.99 27.17 3m7k n HIS 77 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3m7k s ARG 78 N -6.11 3.93 0.02 -0.41 1.81 -1.26 -4.91 118.95 112.02 3m7k s ARG 78 Ca 0.09 1.27 0.04 0.00 -1.72 0.00 0.00 55.73 55.40 3m7k s ARG 78 Cb -0.04 -2.12 -0.03 0.00 -0.45 0.00 0.00 34.95 32.30 3m7k s ARG 78 CO 0.82 -0.31 -0.06 0.95 -0.68 0.00 0.00 175.30 176.03 3m7k s THR 79 N -2.07 3.71 0.85 0.02 -4.23 -1.26 -0.82 115.64 111.83 3m7k s THR 79 Ca 0.65 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 60.24 3m7k s THR 79 Cb -0.14 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.21 3m7k s THR 79 CO 0.18 0.34 1.19 0.54 -0.54 0.00 0.00 174.62 176.34 3m7k s ASN 80 N -1.57 3.83 0.58 3.99 2.20 0.57 -4.89 114.94 119.65 3m7k s ASN 80 Ca 0.18 0.24 0.38 0.00 -0.94 0.00 0.00 52.86 52.73 3m7k s ASN 80 Cb -0.11 -0.51 1.91 0.00 -2.00 0.00 0.00 41.25 40.54 3m7k s ASN 80 CO 0.09 -2.26 2.16 -0.65 -2.94 0.00 0.00 177.10 173.50 3m7k h PRO 81 N -1.17 0.00 -0.01 3.55 0.11 -2.01 0.18 132.00 132.65 3m7k h PRO 81 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3m7k h PRO 81 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3m7k h PRO 81 CO 0.46 0.00 -0.09 0.54 -0.21 0.00 0.00 178.00 178.70 3m7k n ARG 82 N -2.98 1.15 -0.16 1.05 5.12 -1.26 -4.95 116.66 114.62 3m7k n ARG 82 Ca -0.01 -0.56 0.00 0.00 -1.93 0.00 0.00 57.85 55.35 3m7k n ARG 82 Cb 0.16 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 3m7k n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m7k n GLY 83 N 1.22 0.92 3.92 -0.13 0.00 0.61 -5.09 105.19 106.65 3m7k n GLY 83 Ca 0.17 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3m7k n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m7k s TYR 84 N -2.00 3.49 0.04 1.61 2.02 -1.26 -4.75 117.35 116.51 3m7k s TYR 84 Ca 0.00 0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.69 3m7k s TYR 84 Cb 0.00 -1.80 -0.09 0.00 -0.40 0.00 0.00 41.96 39.67 3m7k s TYR 84 CO 0.00 0.49 1.91 -1.58 -1.57 0.00 0.00 175.55 174.80 3m7k s HIS 85 N -1.68 1.50 0.03 2.71 5.65 -1.26 -0.32 115.29 121.93 3m7k s HIS 85 Ca 0.37 -0.31 -0.30 0.00 0.25 0.00 0.00 55.06 55.06 3m7k s HIS 85 Cb -0.12 -4.20 -0.04 0.00 -1.18 0.00 0.00 32.58 27.04 3m7k s HIS 85 CO 0.28 -5.26 1.03 0.42 -0.65 0.00 0.00 174.74 170.56 3m7k s ILE 86 N 4.12 4.62 0.00 0.89 1.01 0.00 -4.89 121.20 126.94 3m7k s ILE 86 Ca 0.85 1.90 0.00 0.00 0.00 0.00 0.00 60.65 63.41 3m7k s ILE 86 Cb -0.42 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 37.83 3m7k s ILE 86 CO 0.39 0.16 0.37 0.00 0.00 0.00 0.00 174.94 175.87 3m7k n GLN 87 N 3.79 0.01 -4.07 2.79 6.02 -1.26 -4.40 117.38 120.26 3m7k n GLN 87 Ca 0.06 -0.44 -0.09 0.00 -0.01 0.00 0.00 57.00 56.53 3m7k n GLN 87 Cb 0.50 -0.75 -0.09 0.00 1.02 0.00 0.00 30.24 30.92 3m7k n GLN 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m7k s LEU 89 N -2.97 4.20 0.00 0.00 1.43 -1.26 -4.82 118.68 115.26 3m7k s LEU 89 Ca 0.15 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 3m7k s LEU 89 Cb 0.07 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3m7k s LEU 89 CO -0.04 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3m7k n GLY 90 N 0.12 3.65 3.09 -3.19 0.00 0.18 -4.90 105.19 104.14 3m7k n GLY 90 Ca -0.00 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 3m7k n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m7k s VAL 91 N 1.07 1.80 -0.15 1.61 1.01 -1.26 -0.69 120.40 123.79 3m7k s VAL 91 Ca 0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 3m7k s VAL 91 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3m7k s VAL 91 CO 0.00 0.50 0.39 -0.62 0.00 0.00 0.00 175.10 175.37 3m7k s ASP 92 N 1.17 6.54 -0.82 3.32 2.15 0.15 -4.88 116.67 124.29 3m7k s ASP 92 Ca -0.00 0.64 -0.26 0.00 0.43 0.00 0.00 52.55 53.36 3m7k s ASP 92 Cb -0.14 -2.23 0.03 0.00 -0.30 0.00 0.00 42.92 40.28 3m7k s ASP 92 CO -0.07 0.03 1.34 -0.13 -0.17 0.00 0.00 175.17 176.16 3m7k s ARG 93 N 0.67 3.30 0.14 4.34 0.52 -1.26 -1.13 118.95 125.52 3m7k s ARG 93 Ca 0.21 -0.48 -0.27 0.00 -0.52 0.00 0.00 55.73 54.67 3m7k s ARG 93 Cb -0.14 -4.52 -0.06 0.00 0.52 0.00 0.00 34.95 30.75 3m7k s ARG 93 CO 0.07 -2.18 1.41 0.43 0.02 0.00 0.00 175.30 175.05 3m7k n SER 94 N 9.29 -0.91 -4.54 0.23 7.64 0.46 -3.07 113.62 122.72 3m7k n SER 94 Ca 0.12 1.61 -0.43 0.00 1.01 0.00 0.00 58.87 61.18 3m7k n SER 94 Cb 0.50 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.40 3m7k n SER 94 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3m7k s ASP 95 N -5.26 6.41 0.23 6.43 -1.08 -1.26 -4.23 116.67 117.90 3m7k s ASP 95 Ca -0.10 -0.10 0.23 0.00 -0.52 0.00 0.00 52.55 52.05 3m7k s ASP 95 Cb 0.09 -2.38 0.93 0.00 -1.46 0.00 0.00 42.92 40.10 3m7k s ASP 95 CO 0.53 -0.91 1.69 -0.24 0.52 0.00 0.00 175.17 176.76 3m7k n SER 96 N 6.70 0.59 0.19 -0.34 2.88 -1.17 -0.68 113.62 121.79 3m7k n SER 96 Ca 0.02 0.64 0.08 0.00 -1.33 0.00 0.00 58.87 58.28 3m7k n SER 96 Cb 0.48 -0.77 0.20 0.00 -0.75 0.00 0.00 64.21 63.37 3m7k n SER 96 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3m7k h PHE 97 N 0.00 0.00 -3.04 0.66 0.04 -1.91 -3.46 116.94 109.23 3m7k h PHE 97 Ca 0.00 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.28 3m7k h PHE 97 Cb 0.37 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.53 3m7k h PHE 97 CO 0.00 0.27 -0.12 -1.21 -0.60 0.00 0.00 178.31 176.66 3m7k s GLU 98 N -3.22 3.52 0.00 1.51 2.02 0.14 -5.07 118.70 117.59 3m7k s GLU 98 Ca 0.04 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3m7k s GLU 98 Cb 0.07 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3m7k s GLU 98 CO 0.69 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.46 3m7k n GLY 99 N -1.76 -0.72 3.67 -1.39 0.00 -1.26 -4.84 105.19 98.89 3m7k n GLY 99 Ca -0.03 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3m7k n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m7k s TYR 100 N -0.42 3.40 0.08 1.61 2.02 -0.12 -4.79 117.35 119.13 3m7k s TYR 100 Ca 0.00 1.31 -0.23 0.00 -0.37 0.00 0.00 57.07 57.78 3m7k s TYR 100 Cb 0.00 -3.08 0.06 0.00 -0.40 0.00 0.00 41.96 38.54 3m7k s TYR 100 CO 0.00 -0.31 0.56 -1.54 -1.57 0.00 0.00 175.55 172.69 3m7k s SER 101 N 1.19 -0.50 0.28 2.29 1.04 -1.26 -1.10 113.70 115.64 3m7k s SER 101 Ca 0.40 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.99 3m7k s SER 101 Cb -0.16 0.53 0.64 0.00 0.10 0.00 0.00 66.02 67.13 3m7k s SER 101 CO 0.11 -0.80 1.73 -0.65 0.98 0.00 0.00 173.24 174.60 3m7k h PRO 102 N 2.51 0.48 -0.49 4.02 0.11 -1.93 0.97 132.00 137.67 3m7k h PRO 102 Ca -0.32 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 3m7k h PRO 102 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3m7k h PRO 102 CO 0.40 0.32 0.09 1.96 -0.21 0.00 0.00 178.00 180.57 3m7k h GLN 103 N 0.50 0.80 -0.00 1.05 7.50 -1.98 -3.27 115.11 119.70 3m7k h GLN 103 Ca 0.52 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 59.46 3m7k h GLN 103 Cb 0.88 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.31 3m7k h GLN 103 CO -0.45 0.79 -0.55 -1.71 -1.50 0.00 0.00 178.83 175.40 3m7k n ASN 104 N -4.44 0.69 -4.78 1.46 5.15 -0.81 -4.93 115.26 107.59 3m7k n ASN 104 Ca 0.01 -0.49 -0.39 0.00 -0.60 0.00 0.00 54.58 53.11 3m7k n ASN 104 Cb 0.24 0.37 -0.06 0.00 -0.53 0.00 0.00 39.78 39.80 3m7k n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m7k s ALA 105 N -2.92 3.45 -0.01 5.20 0.00 0.27 -0.40 121.76 127.35 3m7k s ALA 105 Ca 0.12 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3m7k s ALA 105 Cb 0.17 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.37 3m7k s ALA 105 CO 0.70 0.30 -0.02 0.50 0.00 0.00 0.00 175.76 177.24 3m7k s ARG 106 N -1.22 0.24 0.20 0.00 3.52 -0.28 -4.90 118.95 116.50 3m7k s ARG 106 Ca 0.36 -0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.60 3m7k s ARG 106 Cb -0.22 -0.28 -0.08 0.00 -1.56 0.00 0.00 34.95 32.80 3m7k s ARG 106 CO 0.25 0.01 1.19 -1.17 -0.81 0.00 0.00 175.30 174.78 3m7k s LEU 107 N 0.20 4.46 -0.09 -0.88 2.96 -1.26 0.30 118.68 124.35 3m7k s LEU 107 Ca -0.02 2.25 -0.09 0.00 -0.22 0.00 0.00 54.13 56.05 3m7k s LEU 107 Cb -0.04 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3m7k s LEU 107 CO -0.01 -0.36 0.25 0.00 -1.32 0.00 0.00 176.35 174.92 3m7k s ALA 108 N -0.16 -0.62 0.68 5.97 0.00 0.13 -0.61 121.76 127.15 3m7k s ALA 108 Ca 0.52 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 53.06 3m7k s ALA 108 Cb -0.33 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3m7k s ALA 108 CO 0.37 -0.12 1.07 0.00 0.00 0.00 0.00 175.76 177.08 3m7k h PHE 110 N -0.40 0.00 0.15 0.00 3.57 -1.95 -0.17 116.94 118.15 3m7k h PHE 110 Ca -0.45 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 3m7k h PHE 110 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 3m7k h PHE 110 CO 0.59 0.15 -0.07 0.82 -2.23 0.00 0.00 178.31 177.56 3m7k h ILE 111 N 0.00 0.96 -0.32 1.41 2.04 -2.00 -2.06 117.51 117.55 3m7k h ILE 111 Ca -0.00 -0.54 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 3m7k h ILE 111 Cb 0.34 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3m7k h ILE 111 CO 0.02 0.13 -0.31 0.00 0.00 0.00 0.00 178.15 177.99 3m7k h ASN 113 N 0.58 0.33 -0.35 0.00 -0.73 -1.05 -0.45 115.58 113.91 3m7k h ASN 113 Ca 0.07 0.01 -0.15 0.00 1.87 0.00 0.00 56.30 58.10 3m7k h ASN 113 Cb 0.81 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 3m7k h ASN 113 CO 0.07 0.24 -0.35 0.03 -0.37 0.00 0.00 177.43 177.05 3m7k h ARG 114 N 0.43 0.90 0.12 6.67 3.08 -1.23 -1.66 114.38 122.69 3m7k h ARG 114 Ca 0.16 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3m7k h ARG 114 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3m7k h ARG 114 CO -0.09 1.10 -0.11 0.82 -1.07 0.00 0.00 179.97 180.61 3m7k h ILE 115 N 0.74 0.75 -0.72 2.04 2.04 -0.98 -2.76 117.51 118.61 3m7k h ILE 115 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3m7k h ILE 115 Cb 0.93 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3m7k h ILE 115 CO 0.09 0.00 0.44 0.50 0.00 0.00 0.00 178.15 179.18 3m7k h LYS 116 N -0.25 0.82 0.00 2.37 3.64 -1.09 -3.45 116.57 118.60 3m7k h LYS 116 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3m7k h LYS 116 Cb 0.24 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3m7k h LYS 116 CO -0.02 0.54 0.00 0.45 -2.27 0.00 0.00 179.45 178.15 3m7k n SER 117 N -4.68 0.00 -0.89 4.20 2.88 -0.63 -1.15 113.62 113.35 3m7k n SER 117 Ca 0.08 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.67 3m7k n SER 117 Cb 0.12 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.80 3m7k n SER 117 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3m7k n ASN 118 N 1.32 3.22 -0.08 -3.46 6.94 -1.26 -4.73 115.26 117.21 3m7k n ASN 118 Ca 0.00 -3.29 -0.14 0.00 -0.02 0.00 0.00 54.58 51.13 3m7k n ASN 118 Cb 0.00 -0.56 -0.09 0.00 -2.36 0.00 0.00 39.78 36.77 3m7k n ASN 118 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3m7k h ILE 119 N 1.31 0.82 -2.97 1.53 2.04 -1.45 -3.48 117.51 115.31 3m7k h ILE 119 Ca 0.08 -1.85 -0.65 0.00 1.00 0.00 0.00 64.86 63.44 3m7k h ILE 119 Cb 1.47 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 39.25 3m7k h ILE 119 CO 0.26 0.28 -0.54 -0.36 0.00 0.00 0.00 178.15 177.78 3m7k s PHE 120 N -2.22 3.40 0.89 1.37 0.40 -0.97 -5.11 117.98 115.74 3m7k s PHE 120 Ca -0.21 0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 56.30 3m7k s PHE 120 Cb 0.02 -1.79 0.12 0.00 0.51 0.00 0.00 43.02 41.89 3m7k s PHE 120 CO 0.47 0.60 1.09 -1.54 0.70 0.00 0.00 175.22 176.54 3m7k s SER 121 N -1.66 3.56 0.21 1.36 1.04 -1.26 -4.79 113.70 112.15 3m7k s SER 121 Ca 0.23 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 58.00 3m7k s SER 121 Cb -0.12 -2.12 0.22 0.00 0.10 0.00 0.00 66.02 64.09 3m7k s SER 121 CO 0.13 -2.58 1.83 0.00 0.98 0.00 0.00 173.24 173.61 3m7k h ALA 122 N -1.51 0.93 -0.09 5.32 0.00 -1.98 0.37 119.26 122.30 3m7k h ALA 122 Ca -0.49 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.42 3m7k h ALA 122 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3m7k h ALA 122 CO 0.55 0.16 0.01 0.77 0.00 0.00 0.00 179.25 180.74 3m7k h SER 123 N 0.80 -0.02 -0.85 0.00 0.02 -1.95 0.36 113.55 111.92 3m7k h SER 123 Ca 0.30 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3m7k h SER 123 Cb 0.10 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3m7k h SER 123 CO -0.14 0.00 0.56 -0.33 -1.14 0.00 0.00 176.83 175.78 3m7k h GLU 124 N 0.04 1.10 -0.03 3.45 5.08 -1.82 -2.75 114.58 119.65 3m7k h GLU 124 Ca 0.04 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3m7k h GLU 124 Cb 0.04 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3m7k h GLU 124 CO -0.07 0.73 -0.51 1.98 -1.00 0.00 0.00 179.01 180.14 3m7k h MET 125 N 1.13 0.07 -0.80 2.33 4.05 0.40 -2.03 114.93 120.07 3m7k h MET 125 Ca 0.32 -0.04 0.17 0.00 -0.28 0.00 0.00 59.70 59.87 3m7k h MET 125 Cb -0.10 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 30.59 3m7k h MET 125 CO -0.08 0.56 0.31 -0.44 0.23 0.00 0.00 176.91 177.49 3m7k h ASP 126 N 0.05 0.25 -0.14 1.39 3.32 0.01 0.45 116.42 121.76 3m7k h ASP 126 Ca -0.00 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3m7k h ASP 126 Cb 0.92 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 3m7k h ASP 126 CO 0.07 0.05 -0.08 0.58 -1.72 0.00 0.00 179.24 178.14 3m7k h VAL 127 N 0.41 1.32 -0.76 -1.35 2.07 -1.35 -2.62 116.25 113.98 3m7k h VAL 127 Ca 0.46 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.89 3m7k h VAL 127 Cb 0.78 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 3m7k h VAL 127 CO -0.46 0.34 0.45 0.25 0.02 0.00 0.00 177.57 178.16 3m7k h LEU 128 N -0.05 0.70 -0.71 2.57 5.85 -1.06 -2.86 115.31 119.76 3m7k h LEU 128 Ca 0.03 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3m7k h LEU 128 Cb 0.57 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3m7k h LEU 128 CO 0.02 0.46 0.31 1.23 -0.34 0.00 0.00 178.44 180.11 3m7k h GLY 129 N 0.84 1.05 0.81 3.75 0.00 0.08 -0.41 103.07 109.18 3m7k h GLY 129 Ca 0.33 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.53 3m7k h GLY 129 CO -0.17 -0.02 0.43 0.83 0.00 0.00 0.00 176.54 177.61 3m7k h GLU 130 N 0.50 0.80 -0.52 4.80 5.08 -1.24 0.26 114.58 124.26 3m7k h GLU 130 Ca 0.37 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 3m7k h GLU 130 Cb 0.47 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3m7k h GLU 130 CO -0.33 0.53 -0.04 0.00 -1.00 0.00 0.00 179.01 178.17 3m7k h ALA 131 N 1.32 0.94 -0.32 3.43 0.00 -1.23 -1.93 119.26 121.48 3m7k h ALA 131 Ca 0.29 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3m7k h ALA 131 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3m7k h ALA 131 CO -0.13 0.63 -0.09 0.82 0.00 0.00 0.00 179.25 180.48 3m7k h ILE 132 N 0.84 1.28 -0.95 0.00 2.04 -0.61 -2.87 117.51 117.24 3m7k h ILE 132 Ca 0.15 -1.14 0.20 0.00 1.00 0.00 0.00 64.86 65.06 3m7k h ILE 132 Cb 0.55 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3m7k h ILE 132 CO 0.03 0.37 0.61 -1.28 0.00 0.00 0.00 178.15 177.88 3m7k h SER 133 N 0.39 0.56 -0.37 1.72 0.87 -0.27 -1.60 113.55 114.86 3m7k h SER 133 Ca 0.08 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 3m7k h SER 133 Cb 0.59 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3m7k h SER 133 CO 0.03 0.21 -0.27 0.11 -0.53 0.00 0.00 176.83 176.39 3m7k h LYS 134 N 0.56 0.89 -0.44 2.24 1.57 -1.15 -0.15 116.57 120.09 3m7k h LYS 134 Ca 0.52 -0.40 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3m7k h LYS 134 Cb 1.07 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3m7k h LYS 134 CO -0.26 1.05 0.21 0.00 -0.57 0.00 0.00 179.45 179.88 3m7k h ALA 135 N 0.93 0.54 0.18 3.86 0.00 -1.11 0.12 119.26 123.78 3m7k h ALA 135 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3m7k h ALA 135 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3m7k h ALA 135 CO 0.07 -0.16 -0.08 -1.49 0.00 0.00 0.00 179.25 177.59 3m7k h TRP 136 N 0.42 -0.22 -0.68 0.00 -0.00 -1.11 -1.42 115.95 112.93 3m7k h TRP 136 Ca 0.19 -0.01 0.08 0.00 -0.00 0.00 0.00 58.89 59.16 3m7k h TRP 136 Cb 0.12 0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.30 3m7k h TRP 136 CO -0.11 0.01 0.45 1.25 -0.00 0.00 0.00 178.44 180.04 3m7k h HIS 137 N -0.42 0.62 -0.06 0.49 2.76 -0.94 0.15 115.15 117.76 3m7k h HIS 137 Ca -0.02 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 3m7k h HIS 137 Cb 0.33 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 3m7k h HIS 137 CO -0.01 0.31 -0.31 0.78 -1.30 0.00 0.00 177.93 177.40 3m7k h GLY 138 N 0.60 0.11 0.76 5.26 0.00 -0.47 -2.78 103.07 106.55 3m7k h GLY 138 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3m7k h GLY 138 CO -0.10 0.08 -0.18 0.54 0.00 0.00 0.00 176.54 176.88 3m7k n ARG 139 N -4.14 0.64 -1.07 4.80 1.74 0.41 -4.94 116.66 114.10 3m7k n ARG 139 Ca -0.02 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 3m7k n ARG 139 Cb 0.38 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3m7k n ARG 139 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m7k n GLY 140 N 1.33 0.61 3.46 -0.13 0.00 -0.64 -5.07 105.19 104.75 3m7k n GLY 140 Ca 0.13 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 3m7k n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m7k s ILE 141 N -2.00 3.65 -1.49 -0.61 1.01 -0.50 -5.00 121.20 116.26 3m7k s ILE 141 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 60.65 60.32 3m7k s ILE 141 Cb 0.00 -2.58 0.09 0.00 0.01 0.00 0.00 42.46 39.99 3m7k s ILE 141 CO 0.00 0.50 0.88 0.00 0.00 0.00 0.00 174.94 176.32