#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggs n GLY 4 N 0.00 1.50 3.61 8.20 0.00 -1.26 -4.96 105.19 112.27 3ggs n GLY 4 Ca 0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3ggs n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ggs s TYR 5 N 0.00 3.19 0.44 1.61 2.02 -1.26 -5.10 117.35 118.25 3ggs s TYR 5 Ca 0.00 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3ggs s TYR 5 Cb 0.00 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 3ggs s TYR 5 CO 0.00 0.15 0.67 -0.08 -1.57 0.00 0.00 175.55 174.73 3ggs s THR 6 N 0.20 4.32 0.30 -0.71 -1.32 -1.26 -4.98 115.64 112.17 3ggs s THR 6 Ca 0.02 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 3ggs s THR 6 Cb -0.13 -3.60 0.28 0.00 -1.51 0.00 0.00 72.50 67.54 3ggs s THR 6 CO 0.01 -0.45 1.90 0.22 -2.21 0.00 0.00 174.62 174.09 3ggs h TYR 7 N 0.42 1.07 -0.48 9.09 3.20 -2.00 -0.80 116.97 127.46 3ggs h TYR 7 Ca -0.47 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.48 3ggs h TYR 7 Cb 1.24 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 3ggs h TYR 7 CO 0.48 0.55 0.20 0.93 -1.64 0.00 0.00 178.16 178.68 3ggs h GLU 8 N 1.05 0.38 -0.12 1.82 5.08 -1.98 -2.02 114.58 118.79 3ggs h GLU 8 Ca 0.40 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.76 3ggs h GLU 8 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3ggs h GLU 8 CO -0.16 0.25 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.65 3ggs h ASP 9 N 0.40 -0.08 -0.40 1.42 3.32 -1.54 0.75 116.42 120.29 3ggs h ASP 9 Ca 0.22 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.37 3ggs h ASP 9 Cb 0.20 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3ggs h ASP 9 CO -0.20 -0.02 0.08 1.88 -1.72 0.00 0.00 179.24 179.26 3ggs h TYR 10 N 0.02 0.14 -0.51 4.55 0.05 -1.42 -1.46 116.97 118.34 3ggs h TYR 10 Ca 0.06 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 3ggs h TYR 10 Cb 0.08 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3ggs h TYR 10 CO -0.15 0.02 0.05 -0.22 -1.05 0.00 0.00 178.16 176.81 3ggs h LYS 11 N 0.22 0.82 -0.27 4.88 3.64 -0.41 -0.36 116.57 125.10 3ggs h LYS 11 Ca 0.19 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3ggs h LYS 11 Cb 0.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3ggs h LYS 11 CO -0.25 0.79 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.81 3ggs h ASN 12 N 0.77 0.47 -0.47 4.20 2.35 0.77 -0.74 115.58 122.93 3ggs h ASN 12 Ca 0.16 -0.32 0.04 0.00 -0.55 0.00 0.00 56.30 55.63 3ggs h ASN 12 Cb 0.40 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3ggs h ASN 12 CO 0.01 0.68 0.23 0.74 -1.65 0.00 0.00 177.43 177.44 3ggs h THR 13 N 0.25 0.95 -0.14 2.81 2.02 -1.06 0.69 112.91 118.44 3ggs h THR 13 Ca 0.07 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.11 3ggs h THR 13 Cb 0.44 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3ggs h THR 13 CO 0.02 0.08 0.03 0.00 0.37 0.00 0.00 175.52 176.02 3ggs h ALA 14 N 1.26 0.14 -0.34 6.16 0.00 -0.85 -2.17 119.26 123.45 3ggs h ALA 14 Ca 0.21 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3ggs h ALA 14 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ggs h ALA 14 CO -0.15 -0.42 -0.29 0.93 0.00 0.00 0.00 179.25 179.32 3ggs h GLU 15 N 0.09 0.70 -0.17 0.00 5.08 -0.88 -0.25 114.58 119.15 3ggs h GLU 15 Ca 0.06 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3ggs h GLU 15 Cb 0.05 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3ggs h GLU 15 CO -0.08 0.91 -0.08 2.35 -1.00 0.00 0.00 179.01 181.10 3ggs h TRP 16 N 0.60 -0.19 -0.46 4.33 7.01 -0.65 0.52 115.95 127.11 3ggs h TRP 16 Ca 0.07 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 3ggs h TRP 16 Cb 0.79 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.94 3ggs h TRP 16 CO 0.04 -0.13 0.28 -0.07 -2.79 0.00 0.00 178.44 175.77 3ggs h LEU 17 N -0.06 0.55 -0.67 0.65 3.38 -1.11 0.87 115.31 118.91 3ggs h LEU 17 Ca 0.09 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3ggs h LEU 17 Cb 0.20 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3ggs h LEU 17 CO -0.21 0.43 0.42 -0.07 0.09 0.00 0.00 178.44 179.11 3ggs h LEU 18 N 0.62 0.70 -0.48 1.67 4.07 -0.61 -1.09 115.31 120.18 3ggs h LEU 18 Ca 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3ggs h LEU 18 Cb -0.02 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.56 3ggs h LEU 18 CO -0.03 0.49 0.00 -1.54 -1.08 0.00 0.00 178.44 176.28 3ggs n SER 19 N -4.67 0.72 -0.00 -0.43 3.41 0.18 -3.25 113.62 109.58 3ggs n SER 19 Ca 0.07 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 3ggs n SER 19 Cb 0.07 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3ggs n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ggs n HIS 20 N -0.30 0.00 -3.69 7.33 8.25 0.25 -5.03 115.22 122.03 3ggs n HIS 20 Ca 0.15 -0.46 -0.14 0.00 -0.26 0.00 0.00 57.72 57.00 3ggs n HIS 20 Cb 0.18 -0.05 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 3ggs n HIS 20 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3ggs s THR 21 N -0.94 0.03 -0.84 1.59 -1.32 -0.49 -5.01 115.64 108.67 3ggs s THR 21 Ca 0.00 -0.21 0.27 0.00 -1.21 0.00 0.00 61.69 60.54 3ggs s THR 21 Cb 0.00 -0.71 0.25 0.00 -1.51 0.00 0.00 72.50 70.53 3ggs s THR 21 CO 0.00 -0.12 1.79 2.29 -2.21 0.00 0.00 174.62 176.38 3ggs n LYS 22 N 1.69 0.16 -2.27 7.08 -0.00 -1.26 -4.73 118.16 118.83 3ggs n LYS 22 Ca -0.18 0.12 -0.41 0.00 -0.00 0.00 0.00 58.31 57.83 3ggs n LYS 22 Cb 0.56 -1.67 -0.03 0.00 -0.00 0.00 0.00 35.03 33.89 3ggs n LYS 22 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3ggs s HIS 23 N -3.06 3.31 -0.34 5.58 3.76 -1.26 -5.01 115.29 118.26 3ggs s HIS 23 Ca 0.12 1.31 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 3ggs s HIS 23 Cb 0.15 -3.54 0.11 0.00 1.11 0.00 0.00 32.58 30.40 3ggs s HIS 23 CO 0.58 -1.62 0.11 1.03 -0.85 0.00 0.00 174.74 173.99 3ggs s ARG 24 N -0.30 1.03 0.13 1.40 1.81 -1.26 -4.92 118.95 116.84 3ggs s ARG 24 Ca 0.55 -1.47 -0.22 0.00 -1.72 0.00 0.00 55.73 52.87 3ggs s ARG 24 Cb -0.35 -2.39 -0.07 0.00 -0.45 0.00 0.00 34.95 31.68 3ggs s ARG 24 CO 0.39 -1.01 0.68 -1.25 -0.68 0.00 0.00 175.30 173.43 3ggs s PRO 25 N 1.19 4.37 -0.15 3.54 0.04 -1.26 -4.82 135.00 137.91 3ggs s PRO 25 Ca 0.11 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.14 3ggs s PRO 25 Cb -0.19 -3.21 -0.23 0.00 0.04 0.00 0.00 34.50 30.91 3ggs s PRO 25 CO -0.16 0.58 0.24 0.94 0.04 0.00 0.00 177.00 178.64 3ggs n GLN 26 N 1.54 0.69 -5.11 4.56 7.27 0.18 -3.20 117.38 123.31 3ggs n GLN 26 Ca -0.07 0.19 -0.32 0.00 0.07 0.00 0.00 57.00 56.87 3ggs n GLN 26 Cb 0.50 -1.65 -0.15 0.00 2.41 0.00 0.00 30.24 31.35 3ggs n GLN 26 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3ggs s VAL 27 N -2.55 2.54 -0.05 1.69 1.01 -0.98 -0.80 120.40 121.26 3ggs s VAL 27 Ca -0.19 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 60.92 3ggs s VAL 27 Cb 0.07 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3ggs s VAL 27 CO 0.75 0.58 -0.20 0.00 0.00 0.00 0.00 175.10 176.24 3ggs s ALA 28 N -0.63 2.41 -0.19 5.51 0.00 -0.33 -1.30 121.76 127.23 3ggs s ALA 28 Ca 0.10 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 3ggs s ALA 28 Cb -0.11 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.26 3ggs s ALA 28 CO 0.00 0.50 -0.06 0.42 0.00 0.00 0.00 175.76 176.62 3ggs s ILE 29 N -0.51 1.25 -0.50 0.00 1.01 -0.58 -0.08 121.20 121.79 3ggs s ILE 29 Ca 0.07 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 3ggs s ILE 29 Cb -0.11 -1.45 0.07 0.00 0.01 0.00 0.00 42.46 40.98 3ggs s ILE 29 CO 0.01 0.07 0.52 -0.63 0.00 0.00 0.00 174.94 174.91 3ggs s ILE 30 N 1.56 5.06 0.09 2.92 1.01 -0.62 -0.98 121.20 130.23 3ggs s ILE 30 Ca -0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 3ggs s ILE 30 Cb -0.16 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 3ggs s ILE 30 CO -0.08 -0.74 0.72 0.00 0.00 0.00 0.00 174.94 174.84 3ggs n GLY 32 N 1.98 -0.60 3.67 0.00 0.00 -1.09 -4.45 105.19 104.71 3ggs n GLY 32 Ca -0.05 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3ggs n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ggs s SER 33 N -1.00 6.58 -0.52 1.61 0.15 -1.26 -2.29 113.70 116.97 3ggs s SER 33 Ca 0.00 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.09 3ggs s SER 33 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3ggs s SER 33 CO 0.00 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.09 3ggs n GLY 34 N 4.23 0.76 0.34 9.45 0.00 -1.26 -4.69 105.19 114.01 3ggs n GLY 34 Ca 0.18 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.49 3ggs n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ggs n LEU 35 N -0.56 1.65 -0.97 0.99 4.77 -0.97 -4.79 117.00 117.13 3ggs n LEU 35 Ca -0.05 -2.53 0.12 0.00 -0.03 0.00 0.00 56.01 53.52 3ggs n LEU 35 Cb 0.17 -0.29 0.14 0.00 -2.33 0.00 0.00 43.42 41.11 3ggs n LEU 35 CO 0.07 0.65 0.66 0.61 -1.33 0.00 0.00 177.39 178.05 3ggs n GLY 36 N -0.88 1.06 0.33 -0.72 0.00 -1.26 -4.13 105.19 99.59 3ggs n GLY 36 Ca 0.11 -0.68 0.19 0.00 0.00 0.00 0.00 46.02 45.63 3ggs n GLY 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ggs h GLY 37 N 4.69 0.00 0.73 -0.02 0.00 -1.97 -1.95 103.07 104.56 3ggs h GLY 37 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 3ggs h GLY 37 CO 0.00 0.00 0.48 -2.00 0.00 0.00 0.00 176.54 175.02 3ggs h LEU 38 N 0.00 0.00 -1.92 3.11 5.85 -1.94 -1.21 115.31 119.20 3ggs h LEU 38 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ggs h LEU 38 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3ggs h LEU 38 CO -0.00 0.00 0.00 0.71 -0.34 0.00 0.00 178.44 178.81 3ggs h THR 39 N 0.00 0.00 0.00 1.05 1.35 -1.68 -2.50 112.91 111.12 3ggs h THR 39 Ca 0.26 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3ggs h THR 39 Cb 1.22 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3ggs h THR 39 CO -0.00 0.00 -0.02 0.44 -0.25 0.00 0.00 175.52 175.69 3ggs h ASP 40 N 0.00 0.00 -0.11 5.36 3.45 -1.44 -3.13 116.42 120.55 3ggs h ASP 40 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ggs h ASP 40 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3ggs h ASP 40 CO 0.00 0.02 0.00 0.29 -1.57 0.00 0.00 179.24 177.98 3ggs n LYS 41 N -3.11 1.54 -2.89 3.56 5.02 -0.94 -4.87 118.16 116.47 3ggs n LYS 41 Ca 0.03 -0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 55.10 3ggs n LYS 41 Cb 0.46 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 3ggs n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ggs s LEU 42 N -1.64 4.27 0.41 -0.35 1.43 -1.19 -4.77 118.68 116.85 3ggs s LEU 42 Ca 0.33 1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 54.68 3ggs s LEU 42 Cb 0.17 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 3ggs s LEU 42 CO 0.26 -0.27 0.72 0.42 0.23 0.00 0.00 176.35 177.71 3ggs s THR 43 N 1.40 4.90 -1.60 5.49 -4.23 -0.68 -4.18 115.64 116.74 3ggs s THR 43 Ca 0.42 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 3ggs s THR 43 Cb -0.18 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.87 3ggs s THR 43 CO 0.18 -0.61 0.00 0.00 -0.54 0.00 0.00 174.62 173.65 3ggs n GLN 44 N -1.64 -1.76 -1.95 3.99 1.13 -1.26 -1.65 117.38 114.24 3ggs n GLN 44 Ca 0.00 0.90 -0.41 0.00 -1.94 0.00 0.00 57.00 55.56 3ggs n GLN 44 Cb 0.55 -5.46 -0.01 0.00 0.11 0.00 0.00 30.24 25.42 3ggs n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ggs s ALA 45 N -2.78 3.58 -0.11 -1.58 0.00 -1.26 -4.59 121.76 115.02 3ggs s ALA 45 Ca 0.00 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 3ggs s ALA 45 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3ggs s ALA 45 CO 0.00 -0.84 -0.01 -1.14 0.00 0.00 0.00 175.76 173.76 3ggs s GLN 46 N -1.42 0.91 -0.12 0.00 0.74 0.13 -4.95 119.66 114.93 3ggs s GLN 46 Ca 0.54 -0.13 -0.06 0.00 0.05 0.00 0.00 55.36 55.76 3ggs s GLN 46 Cb -0.43 -1.43 -0.04 0.00 1.10 0.00 0.00 33.01 32.21 3ggs s GLN 46 CO 0.54 -0.37 0.09 0.42 -0.55 0.00 0.00 175.29 175.42 3ggs s ILE 47 N 1.86 5.10 -0.13 -2.34 1.01 -1.26 -1.42 121.20 124.02 3ggs s ILE 47 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 3ggs s ILE 47 Cb -0.14 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.15 3ggs s ILE 47 CO -0.07 0.59 -0.02 -0.36 0.00 0.00 0.00 174.94 175.08 3ggs s PHE 48 N -0.73 1.14 0.51 3.97 0.08 0.81 -4.99 117.98 118.77 3ggs s PHE 48 Ca 0.13 -0.63 -0.21 0.00 0.12 0.00 0.00 56.93 56.33 3ggs s PHE 48 Cb -0.12 -1.05 -0.06 0.00 -0.57 0.00 0.00 43.02 41.22 3ggs s PHE 48 CO 0.03 -0.49 1.19 -0.51 -0.10 0.00 0.00 175.22 175.34 3ggs s ASP 49 N 1.82 5.79 0.25 1.36 1.01 -1.26 0.76 116.67 126.40 3ggs s ASP 49 Ca 0.03 2.34 -0.06 0.00 0.71 0.00 0.00 52.55 55.57 3ggs s ASP 49 Cb -0.14 -2.60 0.26 0.00 1.01 0.00 0.00 42.92 41.44 3ggs s ASP 49 CO -0.07 -1.18 1.92 1.88 0.21 0.00 0.00 175.17 177.93 3ggs h TYR 50 N 1.58 1.26 0.00 4.23 0.05 -1.80 -2.08 116.97 120.21 3ggs h TYR 50 Ca -0.50 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.30 3ggs h TYR 50 Cb 1.27 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 38.58 3ggs h TYR 50 CO 0.51 0.81 0.00 0.78 -1.05 0.00 0.00 178.16 179.21 3ggs h GLY 51 N 1.35 0.00 2.00 3.88 0.00 -1.86 -1.08 103.07 107.36 3ggs h GLY 51 Ca 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.53 3ggs h GLY 51 CO -0.08 0.00 -0.75 -2.09 0.00 0.00 0.00 176.54 173.62 3ggs h GLU 52 N 0.00 0.00 -5.54 4.80 4.81 -1.75 -3.45 114.58 113.44 3ggs h GLU 52 Ca 0.00 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 3ggs h GLU 52 Cb 0.04 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 3ggs h GLU 52 CO 0.00 0.75 -0.16 0.42 -0.73 0.00 0.00 179.01 179.29 3ggs s ILE 53 N -3.17 5.19 0.18 2.32 1.01 -0.41 -5.04 121.20 121.28 3ggs s ILE 53 Ca 0.00 0.81 -0.33 0.00 0.00 0.00 0.00 60.65 61.14 3ggs s ILE 53 Cb 0.11 -3.77 -0.15 0.00 0.01 0.00 0.00 42.46 38.66 3ggs s ILE 53 CO 0.78 0.27 1.33 -2.65 0.00 0.00 0.00 174.94 174.67 3ggs n PRO 54 N 4.23 1.60 -0.80 2.79 -0.02 -1.26 -2.48 135.00 139.05 3ggs n PRO 54 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3ggs n PRO 54 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3ggs n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ggs n ASN 55 N 2.33 -1.62 -4.79 2.55 5.03 -1.26 -4.59 115.26 112.92 3ggs n ASN 55 Ca 0.15 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.25 3ggs n ASN 55 Cb 0.27 -1.78 -0.03 0.00 -1.02 0.00 0.00 39.78 37.22 3ggs n ASN 55 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3ggs s PHE 56 N -1.92 2.96 0.18 3.10 5.36 -1.04 -4.99 117.98 121.62 3ggs s PHE 56 Ca 0.00 1.58 -0.30 0.00 -0.96 0.00 0.00 56.93 57.24 3ggs s PHE 56 Cb 0.00 -3.15 -0.09 0.00 -0.34 0.00 0.00 43.02 39.44 3ggs s PHE 56 CO 0.00 -1.02 1.35 -2.14 -1.46 0.00 0.00 175.22 171.94 3ggs s PRO 57 N -3.08 4.36 -0.12 10.12 0.02 -1.26 -4.94 135.00 140.10 3ggs s PRO 57 Ca 0.67 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 63.47 3ggs s PRO 57 Cb -0.20 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.10 3ggs s PRO 57 CO 0.24 -0.33 1.08 1.03 -0.33 0.00 0.00 177.00 178.69 3ggs s ARG 58 N 0.26 4.36 -0.97 5.54 1.81 -1.26 -4.78 118.95 123.91 3ggs s ARG 58 Ca 0.59 1.47 -0.24 0.00 -1.72 0.00 0.00 55.73 55.83 3ggs s ARG 58 Cb -0.37 -3.58 -0.07 0.00 -0.45 0.00 0.00 34.95 30.48 3ggs s ARG 58 CO 0.36 -0.44 1.99 0.45 -0.68 0.00 0.00 175.30 176.99 3ggs s SER 59 N 1.27 4.94 -0.56 0.23 0.15 -1.26 -5.09 113.70 113.38 3ggs s SER 59 Ca 0.50 -0.87 0.06 0.00 0.70 0.00 0.00 55.95 56.34 3ggs s SER 59 Cb -0.19 -2.57 0.21 0.00 -1.71 0.00 0.00 66.02 61.76 3ggs s SER 59 CO 0.16 -3.01 0.56 0.35 1.20 0.00 0.00 173.24 172.51 3ggs n THR 60 N 7.99 0.89 -2.78 6.45 -2.24 -1.26 -4.76 114.28 118.56 3ggs n THR 60 Ca 0.42 -4.55 -0.09 0.00 -2.27 0.00 0.00 64.05 57.55 3ggs n THR 60 Cb 0.46 -2.02 0.05 0.00 -2.10 0.00 0.00 70.33 66.73 3ggs n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ggs n ALA 65 N 1.61 -1.07 -3.60 6.98 0.00 -1.26 -5.16 120.51 118.02 3ggs n ALA 65 Ca 0.25 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.41 3ggs n ALA 65 Cb 0.43 -1.61 -0.17 0.00 0.00 0.00 0.00 19.45 18.11 3ggs n ALA 65 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ggs s GLY 66 N -3.70 0.87 0.18 0.00 0.00 -1.26 -4.57 107.32 98.83 3ggs s GLY 66 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.23 3ggs s GLY 66 CO 0.39 0.28 -0.03 1.09 0.00 0.00 0.00 173.10 174.83 3ggs s ARG 67 N 0.95 1.13 -0.10 2.90 1.70 -1.02 -2.26 118.95 122.26 3ggs s ARG 67 Ca -0.09 -1.54 0.03 0.00 -0.47 0.00 0.00 55.73 53.67 3ggs s ARG 67 Cb -0.15 -0.43 -0.01 0.00 -0.57 0.00 0.00 34.95 33.79 3ggs s ARG 67 CO 0.00 -0.07 -0.19 -1.17 -1.08 0.00 0.00 175.30 172.79 3ggs s LEU 68 N -3.20 2.36 -0.07 -1.89 2.96 0.23 -2.61 118.68 116.47 3ggs s LEU 68 Ca 0.22 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3ggs s LEU 68 Cb 0.05 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.26 3ggs s LEU 68 CO 0.04 0.19 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.42 3ggs s VAL 69 N 0.17 1.36 0.01 1.68 1.01 0.44 -0.13 120.40 124.94 3ggs s VAL 69 Ca -0.11 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3ggs s VAL 69 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3ggs s VAL 69 CO 0.06 0.41 -0.05 -0.36 0.00 0.00 0.00 175.10 175.16 3ggs s PHE 70 N 0.59 2.94 -3.08 5.22 0.40 -0.51 0.12 117.98 123.67 3ggs s PHE 70 Ca -0.16 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 3ggs s PHE 70 Cb -0.16 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.75 3ggs s PHE 70 CO 0.05 0.41 0.00 0.41 0.70 0.00 0.00 175.22 176.78 3ggs n GLY 71 N 1.43 -1.91 3.72 4.36 0.00 -0.91 0.18 105.19 112.06 3ggs n GLY 71 Ca -0.15 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3ggs n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ggs s PHE 72 N -2.36 3.38 -0.20 1.61 0.08 -0.66 -0.17 117.98 119.66 3ggs s PHE 72 Ca 0.00 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.34 3ggs s PHE 72 Cb 0.00 -2.09 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3ggs s PHE 72 CO 0.00 0.33 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.12 3ggs s LEU 73 N 0.09 2.51 -1.47 -0.37 2.96 -0.33 -1.69 118.68 120.39 3ggs s LEU 73 Ca 0.08 -0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 3ggs s LEU 73 Cb -0.12 -1.54 0.04 0.00 0.50 0.00 0.00 46.19 45.07 3ggs s LEU 73 CO -0.00 -0.04 0.53 -3.20 -1.32 0.00 0.00 176.35 172.31 3ggs n ASN 74 N 4.62 -1.17 0.00 3.68 5.15 -1.26 -1.54 115.26 124.74 3ggs n ASN 74 Ca -0.19 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 3ggs n ASN 74 Cb 0.49 -3.07 0.00 0.00 -0.53 0.00 0.00 39.78 36.67 3ggs n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ggs n GLY 75 N -1.85 0.61 3.11 8.20 0.00 -1.26 -4.49 105.19 109.50 3ggs n GLY 75 Ca -0.22 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 3ggs n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ggs s ARG 76 N -0.33 1.96 -0.25 1.61 1.81 -0.59 -5.09 118.95 118.06 3ggs s ARG 76 Ca 0.00 -0.58 -0.29 0.00 -1.72 0.00 0.00 55.73 53.14 3ggs s ARG 76 Cb 0.00 -1.62 -0.02 0.00 -0.45 0.00 0.00 34.95 32.86 3ggs s ARG 76 CO 0.00 0.15 1.67 0.00 -0.68 0.00 0.00 175.30 176.44 3ggs s ALA 77 N 0.32 3.16 0.21 2.13 0.00 -1.26 -1.18 121.76 125.14 3ggs s ALA 77 Ca -0.10 0.42 0.11 0.00 0.00 0.00 0.00 51.96 52.39 3ggs s ALA 77 Cb -0.14 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 3ggs s ALA 77 CO 0.04 -2.14 -0.23 0.00 0.00 0.00 0.00 175.76 173.44 3ggs s VAL 79 N -1.80 1.81 -0.07 0.00 0.11 -0.42 -2.14 120.40 117.90 3ggs s VAL 79 Ca 0.22 -0.82 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 3ggs s VAL 79 Cb -0.08 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.12 3ggs s VAL 79 CO 0.11 0.50 -0.14 -0.32 -3.33 0.00 0.00 175.10 171.92 3ggs s MET 80 N 0.97 2.68 -0.29 1.54 1.75 0.33 -1.52 119.30 124.76 3ggs s MET 80 Ca -0.05 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 53.66 3ggs s MET 80 Cb -0.15 -2.42 0.03 0.00 2.84 0.00 0.00 34.83 35.13 3ggs s MET 80 CO -0.03 0.54 0.01 1.41 -0.65 0.00 0.00 175.02 176.29 3ggs s MET 81 N -0.50 2.70 -0.21 4.11 1.75 -0.16 -0.42 119.30 126.57 3ggs s MET 81 Ca 0.07 -1.09 -0.06 0.00 -1.25 0.00 0.00 55.69 53.35 3ggs s MET 81 Cb -0.12 -3.18 -0.03 0.00 2.84 0.00 0.00 34.83 34.34 3ggs s MET 81 CO 0.02 -0.52 0.02 -1.14 -0.65 0.00 0.00 175.02 172.74 3ggs s GLN 82 N 1.34 3.63 0.00 4.11 0.74 -1.07 -2.32 119.66 126.09 3ggs s GLN 82 Ca -0.02 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.89 3ggs s GLN 82 Cb -0.18 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.77 3ggs s GLN 82 CO -0.01 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 3ggs n GLY 83 N 4.44 -0.27 3.82 2.59 0.00 -1.26 -2.43 105.19 112.09 3ggs n GLY 83 Ca -0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 3ggs n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ggs s ARG 84 N -1.77 1.66 -0.01 1.61 1.70 -1.26 -4.71 118.95 116.17 3ggs s ARG 84 Ca 0.00 0.33 -0.12 0.00 -0.47 0.00 0.00 55.73 55.47 3ggs s ARG 84 Cb 0.00 -1.90 -0.05 0.00 -0.57 0.00 0.00 34.95 32.43 3ggs s ARG 84 CO 0.00 -1.85 0.35 -0.06 -1.08 0.00 0.00 175.30 172.66 3ggs s PHE 85 N -3.33 3.68 0.02 5.89 0.08 -1.26 -5.10 117.98 117.95 3ggs s PHE 85 Ca 0.62 0.86 0.08 0.00 0.12 0.00 0.00 56.93 58.61 3ggs s PHE 85 Cb -0.13 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 3ggs s PHE 85 CO 0.52 0.65 -0.23 -1.01 -0.10 0.00 0.00 175.22 175.05 3ggs s HIS 86 N -1.12 2.06 0.27 0.36 3.76 -1.26 -4.90 115.29 114.46 3ggs s HIS 86 Ca 0.23 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.72 3ggs s HIS 86 Cb -0.15 -1.28 0.36 0.00 1.11 0.00 0.00 32.58 32.62 3ggs s HIS 86 CO 0.12 0.04 1.92 1.98 -0.85 0.00 0.00 174.74 177.95 3ggs h MET 87 N 5.16 1.12 0.00 1.40 4.05 -1.80 -2.43 114.93 122.44 3ggs h MET 87 Ca -0.43 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 58.88 3ggs h MET 87 Cb 1.14 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3ggs h MET 87 CO 0.45 0.79 -0.04 0.10 0.23 0.00 0.00 176.91 178.45 3ggs h TYR 88 N 1.14 0.00 0.00 1.39 -0.00 -1.87 -1.75 116.97 115.88 3ggs h TYR 88 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.03 3ggs h TYR 88 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.70 3ggs h TYR 88 CO 0.01 0.04 0.00 0.39 -0.00 0.00 0.00 178.16 178.60 3ggs n GLU 89 N -4.00 0.26 0.00 0.10 1.02 -0.92 -4.80 120.64 112.31 3ggs n GLU 89 Ca -0.03 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3ggs n GLU 89 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3ggs n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ggs n GLY 90 N 0.27 0.85 3.72 0.62 0.00 -0.66 -5.06 105.19 104.94 3ggs n GLY 90 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3ggs n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ggs s TYR 91 N -2.13 3.15 0.50 1.61 2.02 -1.24 -5.01 117.35 116.24 3ggs s TYR 91 Ca 0.00 0.78 -0.21 0.00 -0.37 0.00 0.00 57.07 57.26 3ggs s TYR 91 Cb 0.00 -3.81 -0.06 0.00 -0.40 0.00 0.00 41.96 37.68 3ggs s TYR 91 CO 0.00 -2.94 1.17 -1.25 -1.57 0.00 0.00 175.55 170.96 3ggs s PRO 92 N 1.12 3.52 0.60 -1.71 0.04 -1.26 -4.40 135.00 132.92 3ggs s PRO 92 Ca 0.67 1.76 0.33 0.00 0.04 0.00 0.00 61.00 63.81 3ggs s PRO 92 Cb -0.41 -2.23 1.92 0.00 0.04 0.00 0.00 34.50 33.83 3ggs s PRO 92 CO 0.31 -0.74 2.26 -0.07 0.04 0.00 0.00 177.00 178.79 3ggs h LEU 93 N 1.64 0.00 -0.82 -3.56 3.38 -1.95 -0.18 115.31 113.82 3ggs h LEU 93 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ggs h LEU 93 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ggs h LEU 93 CO 0.59 0.02 0.00 4.11 0.09 0.00 0.00 178.44 183.24 3ggs h TRP 94 N 0.00 0.00 0.05 1.13 5.08 -1.92 -1.33 115.95 118.96 3ggs h TRP 94 Ca -0.00 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.76 3ggs h TRP 94 Cb 0.05 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.20 3ggs h TRP 94 CO 0.00 0.00 -1.10 0.87 -1.28 0.00 0.00 178.44 176.93 3ggs h LYS 95 N 0.00 0.12 -0.86 0.12 1.57 -1.42 -3.24 116.57 112.86 3ggs h LYS 95 Ca 0.00 -0.20 0.22 0.00 -1.87 0.00 0.00 60.65 58.81 3ggs h LYS 95 Cb 0.55 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.79 3ggs h LYS 95 CO 0.00 1.10 0.17 0.28 -0.57 0.00 0.00 179.45 180.42 3ggs h VAL 96 N -0.66 0.30 -0.58 0.50 2.07 -1.23 -1.41 116.25 115.23 3ggs h VAL 96 Ca -0.26 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3ggs h VAL 96 Cb 1.47 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3ggs h VAL 96 CO -0.04 0.03 0.00 0.35 0.02 0.00 0.00 177.57 177.93 3ggs n THR 97 N -5.27 0.81 -0.26 2.57 -2.24 -0.52 -4.49 114.28 104.87 3ggs n THR 97 Ca 0.20 -0.90 -0.05 0.00 -2.27 0.00 0.00 64.05 61.03 3ggs n THR 97 Cb 0.64 0.69 0.06 0.00 -2.10 0.00 0.00 70.33 69.62 3ggs n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3ggs h PHE 98 N 4.19 0.91 -0.38 4.78 3.57 -1.27 -2.58 116.94 126.16 3ggs h PHE 98 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3ggs h PHE 98 Cb 0.97 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 3ggs h PHE 98 CO 0.38 0.58 0.25 -1.35 -2.23 0.00 0.00 178.31 175.94 3ggs h PRO 99 N 0.98 0.49 -0.11 6.41 0.11 -1.79 -2.92 132.00 135.16 3ggs h PRO 99 Ca 0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3ggs h PRO 99 Cb -0.11 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 3ggs h PRO 99 CO -0.06 0.32 0.08 0.28 -0.21 0.00 0.00 178.00 178.41 3ggs h VAL 100 N 0.50 1.03 0.14 3.15 2.07 -1.78 0.15 116.25 121.50 3ggs h VAL 100 Ca 0.14 -0.05 -0.29 0.00 0.82 0.00 0.00 66.70 67.31 3ggs h VAL 100 Cb -0.04 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3ggs h VAL 100 CO -0.03 0.03 -1.40 0.03 0.02 0.00 0.00 177.57 176.22 3ggs h ARG 101 N 0.15 0.29 -0.12 1.57 3.08 -1.61 -2.88 114.38 114.85 3ggs h ARG 101 Ca 0.04 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.61 3ggs h ARG 101 Cb -0.01 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3ggs h ARG 101 CO -0.01 1.19 0.03 0.28 -1.07 0.00 0.00 179.97 180.39 3ggs h VAL 102 N 0.08 0.95 -0.88 2.04 2.07 -1.19 -0.83 116.25 118.49 3ggs h VAL 102 Ca -0.19 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 67.49 3ggs h VAL 102 Cb 2.01 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 32.53 3ggs h VAL 102 CO 0.19 0.01 0.42 -0.26 0.02 0.00 0.00 177.57 177.96 3ggs h PHE 103 N 0.08 0.71 -0.00 1.57 0.04 -0.77 0.44 116.94 119.01 3ggs h PHE 103 Ca 0.05 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3ggs h PHE 103 Cb 0.04 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 3ggs h PHE 103 CO -0.11 0.05 0.00 1.25 -0.60 0.00 0.00 178.31 178.89 3ggs h HIS 104 N 0.49 0.01 0.00 -0.55 -0.00 -1.19 -1.38 115.15 112.53 3ggs h HIS 104 Ca 0.53 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.90 3ggs h HIS 104 Cb 0.91 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 3ggs h HIS 104 CO -0.11 0.09 0.00 -0.07 -0.00 0.00 0.00 177.93 177.84 3ggs h LEU 105 N -0.08 0.00 -0.78 0.26 3.38 0.50 -0.38 115.31 118.21 3ggs h LEU 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ggs h LEU 105 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ggs h LEU 105 CO -0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 3ggs h LEU 106 N 0.00 0.00 0.00 1.67 4.07 0.31 -3.47 115.31 117.89 3ggs h LEU 106 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ggs h LEU 106 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 3ggs h LEU 106 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3ggs n GLY 107 N 0.50 1.00 3.76 0.83 0.00 -0.15 -4.61 105.19 106.51 3ggs n GLY 107 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3ggs n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ggs s VAL 108 N -2.00 2.99 0.00 1.61 1.01 -0.57 -4.64 120.40 118.80 3ggs s VAL 108 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3ggs s VAL 108 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3ggs s VAL 108 CO 0.00 0.23 0.03 -0.90 0.00 0.00 0.00 175.10 174.46 3ggs n ASP 109 N 1.02 0.06 -4.14 3.32 5.68 0.02 -4.51 116.55 118.00 3ggs n ASP 109 Ca -0.00 -0.52 -0.25 0.00 -0.50 0.00 0.00 54.79 53.52 3ggs n ASP 109 Cb 0.43 0.90 -0.16 0.00 -1.14 0.00 0.00 41.12 41.16 3ggs n ASP 109 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3ggs s THR 110 N -0.90 1.35 -0.11 2.12 2.01 -1.15 -0.58 115.64 118.38 3ggs s THR 110 Ca 0.00 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.32 3ggs s THR 110 Cb 0.00 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.38 3ggs s THR 110 CO 0.00 0.39 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.89 3ggs s LEU 111 N -0.21 1.98 -0.12 4.42 2.96 0.24 -1.19 118.68 126.76 3ggs s LEU 111 Ca 0.02 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3ggs s LEU 111 Cb -0.08 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3ggs s LEU 111 CO 0.00 0.09 -0.06 0.54 -1.32 0.00 0.00 176.35 175.61 3ggs s VAL 112 N 0.65 3.77 -0.06 1.68 0.11 0.88 -2.45 120.40 124.97 3ggs s VAL 112 Ca -0.12 -0.42 0.05 0.00 -2.93 0.00 0.00 61.98 58.55 3ggs s VAL 112 Cb -0.16 -2.60 -0.00 0.00 -1.53 0.00 0.00 36.38 32.08 3ggs s VAL 112 CO 0.03 0.54 -0.21 0.68 -3.33 0.00 0.00 175.10 172.81 3ggs s VAL 113 N -0.10 1.78 0.20 2.04 -7.23 -0.85 -1.59 120.40 114.65 3ggs s VAL 113 Ca 0.02 -0.89 0.11 0.00 -1.81 0.00 0.00 61.98 59.40 3ggs s VAL 113 Cb -0.13 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 3ggs s VAL 113 CO 0.03 0.50 -0.23 0.42 -0.31 0.00 0.00 175.10 175.51 3ggs s THR 114 N 0.11 2.29 0.19 5.32 -4.23 -0.93 -1.29 115.64 117.10 3ggs s THR 114 Ca -0.09 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.22 3ggs s THR 114 Cb -0.14 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.62 3ggs s THR 114 CO 0.05 -0.17 0.47 0.54 -0.54 0.00 0.00 174.62 174.98 3ggs s ASN 115 N -2.73 -0.20 -0.04 3.99 2.20 -0.46 -2.66 114.94 115.03 3ggs s ASN 115 Ca 0.21 -0.56 -0.15 0.00 -0.94 0.00 0.00 52.86 51.42 3ggs s ASN 115 Cb -0.07 0.55 -0.05 0.00 -2.00 0.00 0.00 41.25 39.67 3ggs s ASN 115 CO 0.10 -1.02 0.39 0.00 -2.94 0.00 0.00 177.10 173.63 3ggs s ALA 116 N -3.89 3.66 0.04 3.54 0.00 -1.26 -0.49 121.76 123.36 3ggs s ALA 116 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 3ggs s ALA 116 Cb -0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 3ggs s ALA 116 CO -0.02 0.38 0.01 0.00 0.00 0.00 0.00 175.76 176.12 3ggs s ALA 117 N -0.66 0.22 -0.00 0.00 0.00 -0.18 -4.71 121.76 116.42 3ggs s ALA 117 Ca 0.23 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 3ggs s ALA 117 Cb -0.16 0.23 -0.06 0.00 0.00 0.00 0.00 23.12 23.14 3ggs s ALA 117 CO 0.11 -0.29 0.51 0.20 0.00 0.00 0.00 175.76 176.29 3ggs s GLY 118 N -2.25 2.55 -0.21 0.00 0.00 -0.01 -1.37 107.32 106.03 3ggs s GLY 118 Ca -0.03 -0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.35 3ggs s GLY 118 CO -0.06 0.49 0.84 -0.32 0.00 0.00 0.00 173.10 174.05 3ggs s GLY 119 N -0.57 1.90 -0.12 0.20 0.00 0.14 -0.99 107.32 107.89 3ggs s GLY 119 Ca 0.27 -0.05 0.14 0.00 0.00 0.00 0.00 44.72 45.08 3ggs s GLY 119 CO 0.15 1.77 0.39 1.04 0.00 0.00 0.00 173.10 176.45 3ggs n LEU 120 N 5.69 0.62 -4.66 0.66 4.77 -0.35 -1.63 117.00 122.10 3ggs n LEU 120 Ca 0.05 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 3ggs n LEU 120 Cb 0.48 0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 3ggs n LEU 120 CO 0.48 0.46 1.16 0.21 -1.33 0.00 0.00 177.39 178.37 3ggs s ASN 121 N -5.88 6.86 0.31 -1.43 3.84 -1.00 -4.92 114.94 112.72 3ggs s ASN 121 Ca -0.08 1.84 0.07 0.00 0.21 0.00 0.00 52.86 54.90 3ggs s ASN 121 Cb 0.07 -2.54 0.80 0.00 -0.55 0.00 0.00 41.25 39.04 3ggs s ASN 121 CO 0.82 -0.81 1.73 -0.65 -2.79 0.00 0.00 177.10 175.40 3ggs h PRO 122 N 8.59 0.56 -0.64 0.43 0.11 -1.93 -0.40 132.00 138.71 3ggs h PRO 122 Ca -0.30 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.93 3ggs h PRO 122 Cb 1.12 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3ggs h PRO 122 CO 0.97 0.37 0.44 0.87 -0.21 0.00 0.00 178.00 180.44 3ggs h LYS 123 N 0.57 0.19 -6.71 1.05 6.56 -2.00 -3.43 116.57 112.81 3ggs h LYS 123 Ca 0.60 -0.01 -0.52 0.00 -1.06 0.00 0.00 60.65 59.66 3ggs h LYS 123 Cb 1.10 -0.04 0.04 0.00 -0.57 0.00 0.00 32.23 32.76 3ggs h LYS 123 CO -0.47 0.13 0.68 -0.06 -2.06 0.00 0.00 179.45 177.68 3ggs s PHE 124 N -5.20 3.18 0.20 -1.35 0.40 -0.16 -5.03 117.98 110.01 3ggs s PHE 124 Ca -0.06 1.17 0.09 0.00 -0.60 0.00 0.00 56.93 57.53 3ggs s PHE 124 Cb 0.20 -3.67 -0.04 0.00 0.51 0.00 0.00 43.02 40.02 3ggs s PHE 124 CO 0.75 -2.12 -0.07 -1.21 0.70 0.00 0.00 175.22 173.27 3ggs s GLU 125 N -0.26 2.13 0.23 0.44 2.02 -1.26 -4.90 118.70 117.09 3ggs s GLU 125 Ca 0.57 -1.30 -0.32 0.00 0.02 0.00 0.00 54.97 53.95 3ggs s GLU 125 Cb -0.38 -2.17 -0.12 0.00 0.10 0.00 0.00 34.13 31.56 3ggs s GLU 125 CO 0.40 0.42 1.62 0.28 0.02 0.00 0.00 175.26 178.00 3ggs n VAL 126 N -0.18 0.46 0.00 2.63 0.31 -1.26 -1.49 118.33 118.80 3ggs n VAL 126 Ca -0.10 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3ggs n VAL 126 Cb 0.56 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 3ggs n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ggs n GLY 127 N 3.05 2.83 3.67 2.92 0.00 -0.03 -5.04 105.19 112.58 3ggs n GLY 127 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3ggs n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ggs n ASP 128 N 0.00 1.92 -4.71 1.61 8.00 -0.55 -4.71 116.55 118.10 3ggs n ASP 128 Ca 0.00 1.03 -0.35 0.00 0.71 0.00 0.00 54.79 56.18 3ggs n ASP 128 Cb 0.00 -1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 39.57 3ggs n ASP 128 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ggs s ILE 129 N -1.27 4.92 -0.24 0.53 1.01 -1.26 -0.97 121.20 123.92 3ggs s ILE 129 Ca 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 3ggs s ILE 129 Cb -0.50 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3ggs s ILE 129 CO 0.55 0.52 -0.08 -0.32 0.00 0.00 0.00 174.94 175.61 3ggs s MET 130 N -0.17 2.87 -0.16 2.79 1.75 0.83 -1.55 119.30 125.65 3ggs s MET 130 Ca 0.08 -0.95 -0.29 0.00 -1.25 0.00 0.00 55.69 53.28 3ggs s MET 130 Cb -0.12 -2.93 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 3ggs s MET 130 CO 0.01 -0.37 1.76 -1.17 -0.65 0.00 0.00 175.02 174.60 3ggs s LEU 131 N 1.32 3.97 -0.19 4.11 0.20 0.65 -1.21 118.68 127.52 3ggs s LEU 131 Ca 0.01 1.89 -0.29 0.00 0.69 0.00 0.00 54.13 56.43 3ggs s LEU 131 Cb -0.16 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.04 3ggs s LEU 131 CO -0.06 -1.28 1.53 -0.63 -0.29 0.00 0.00 176.35 175.62 3ggs s ILE 132 N 5.38 3.82 -0.15 6.68 1.01 -0.20 -2.53 121.20 135.20 3ggs s ILE 132 Ca 0.78 0.95 0.19 0.00 0.00 0.00 0.00 60.65 62.57 3ggs s ILE 132 Cb -0.30 -3.76 -0.26 0.00 0.01 0.00 0.00 42.46 38.15 3ggs s ILE 132 CO 0.32 -0.25 0.21 -1.14 0.00 0.00 0.00 174.94 174.08 3ggs n ARG 133 N 7.36 0.68 -3.64 2.79 3.00 -0.40 -4.62 116.66 121.83 3ggs n ARG 133 Ca 0.17 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.85 57.95 3ggs n ARG 133 Cb 0.45 -1.54 -0.01 0.00 0.00 0.00 0.00 32.46 31.35 3ggs n ARG 133 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3ggs s ASP 134 N -5.32 -0.20 0.24 6.15 -1.08 -1.22 -4.64 116.67 110.60 3ggs s ASP 134 Ca -0.09 -0.20 0.02 0.00 -0.52 0.00 0.00 52.55 51.76 3ggs s ASP 134 Cb 0.08 0.36 -0.05 0.00 -1.46 0.00 0.00 42.92 41.85 3ggs s ASP 134 CO 0.85 -0.63 0.07 -1.38 0.52 0.00 0.00 175.17 174.59 3ggs s HIS 135 N -2.98 1.51 -0.22 -5.34 -3.43 -1.26 -1.58 115.29 101.99 3ggs s HIS 135 Ca 0.10 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.26 3ggs s HIS 135 Cb 0.00 -0.89 0.05 0.00 -1.43 0.00 0.00 32.58 30.32 3ggs s HIS 135 CO -0.03 -0.26 -0.06 0.42 -2.00 0.00 0.00 174.74 172.82 3ggs s ILE 136 N -3.67 1.44 -0.92 -5.38 1.01 -0.73 -4.91 121.20 108.04 3ggs s ILE 136 Ca 0.34 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 3ggs s ILE 136 Cb 0.07 -1.68 0.15 0.00 0.01 0.00 0.00 42.46 41.02 3ggs s ILE 136 CO 0.11 -0.03 1.06 0.21 0.00 0.00 0.00 174.94 176.29 3ggs s ASN 137 N 1.45 6.67 0.06 3.58 2.47 -1.26 -1.27 114.94 126.65 3ggs s ASN 137 Ca -0.04 -2.22 -0.23 0.00 0.42 0.00 0.00 52.86 50.80 3ggs s ASN 137 Cb -0.18 -2.36 -0.14 0.00 -1.45 0.00 0.00 41.25 37.12 3ggs s ASN 137 CO -0.07 -0.95 1.57 -0.07 -3.72 0.00 0.00 177.10 173.87 3ggs h LEU 138 N 9.83 0.11 -1.23 3.21 4.07 -1.95 -2.82 115.31 126.52 3ggs h LEU 138 Ca 0.15 -0.19 0.11 0.00 0.08 0.00 0.00 57.88 58.03 3ggs h LEU 138 Cb 1.02 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.67 3ggs h LEU 138 CO 1.04 0.27 0.57 -0.65 -1.08 0.00 0.00 178.44 178.59 3ggs h PRO 139 N -0.06 0.80 0.00 1.13 0.11 -1.84 -2.19 132.00 129.95 3ggs h PRO 139 Ca 0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3ggs h PRO 139 Cb 0.20 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 3ggs h PRO 139 CO -0.00 0.53 -0.08 0.78 -0.21 0.00 0.00 178.00 179.02 3ggs h GLY 140 N 0.83 0.00 1.02 -0.55 0.00 -1.19 -1.67 103.07 101.50 3ggs h GLY 140 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3ggs h GLY 140 CO -0.18 0.00 0.48 0.74 0.00 0.00 0.00 176.54 177.58 3ggs h PHE 141 N 0.00 1.18 0.00 5.60 0.04 -1.19 -3.23 116.94 119.34 3ggs h PHE 141 Ca -0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3ggs h PHE 141 Cb 0.17 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 37.94 3ggs h PHE 141 CO 0.00 0.82 -0.63 0.43 -0.60 0.00 0.00 178.31 178.33 3ggs n SER 142 N -4.37 0.58 0.00 2.17 7.64 -0.68 -4.93 113.62 114.03 3ggs n SER 142 Ca 0.09 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3ggs n SER 142 Cb 0.09 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3ggs n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ggs n GLY 143 N 1.44 1.33 3.54 0.23 0.00 -1.06 -5.06 105.19 105.62 3ggs n GLY 143 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3ggs n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ggs s GLN 144 N 0.00 3.63 -0.05 1.61 -1.52 -0.90 -4.92 119.66 117.52 3ggs s GLN 144 Ca 0.00 -1.30 0.00 0.00 -1.95 0.00 0.00 55.36 52.12 3ggs s GLN 144 Cb 0.00 -5.30 0.02 0.00 -0.22 0.00 0.00 33.01 27.51 3ggs s GLN 144 CO 0.00 -2.14 -0.02 1.21 -0.25 0.00 0.00 175.29 174.08 3ggs s ASN 145 N 4.70 0.95 0.19 5.90 3.84 -1.26 -2.18 114.94 127.08 3ggs s ASN 145 Ca 0.45 -0.09 0.16 0.00 0.21 0.00 0.00 52.86 53.59 3ggs s ASN 145 Cb -0.00 -0.39 0.79 0.00 -0.55 0.00 0.00 41.25 41.10 3ggs s ASN 145 CO -0.09 -0.10 1.51 -0.81 -2.79 0.00 0.00 177.10 174.82 3ggs n PRO 146 N 4.31 0.10 0.00 0.43 -0.04 -1.26 -1.35 135.00 137.19 3ggs n PRO 146 Ca -0.21 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3ggs n PRO 146 Cb 0.51 -1.77 0.34 0.00 -0.04 0.00 0.00 33.50 32.54 3ggs n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ggs n LEU 147 N -1.98 0.89 -4.72 1.53 4.32 -1.26 -4.67 117.00 111.11 3ggs n LEU 147 Ca 0.01 -0.20 -0.42 0.00 -0.02 0.00 0.00 56.01 55.37 3ggs n LEU 147 Cb 0.10 -0.15 -0.01 0.00 -1.62 0.00 0.00 43.42 41.73 3ggs n LEU 147 CO 0.11 0.18 1.03 -1.14 -1.22 0.00 0.00 177.39 176.35 3ggs n ARG 148 N -0.87 2.33 0.00 3.23 0.63 -0.46 -4.75 116.66 116.77 3ggs n ARG 148 Ca 0.10 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 3ggs n ARG 148 Cb 0.34 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.77 3ggs n ARG 148 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ggs n GLY 149 N 1.21 -1.03 3.68 5.14 0.00 -1.26 -5.02 105.19 107.92 3ggs n GLY 149 Ca 0.06 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 3ggs n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ggs n PRO 150 N 0.00 1.62 -5.20 1.61 -0.04 -1.26 -5.01 135.00 126.72 3ggs n PRO 150 Ca 0.00 0.59 -0.31 0.00 -0.04 0.00 0.00 63.50 63.74 3ggs n PRO 150 Cb 0.00 -2.35 -0.17 0.00 -0.04 0.00 0.00 33.50 30.94 3ggs n PRO 150 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3ggs s ASN 151 N -0.77 2.96 -0.17 3.54 2.47 -1.26 -5.09 114.94 116.61 3ggs s ASN 151 Ca 0.66 -0.50 -0.04 0.00 0.42 0.00 0.00 52.86 53.40 3ggs s ASN 151 Cb -0.48 -0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 38.35 3ggs s ASN 151 CO 0.54 0.21 -0.04 -0.62 -3.72 0.00 0.00 177.10 173.47 3ggs s ASP 152 N -0.01 4.65 0.03 -4.21 -1.08 -1.26 -5.00 116.67 109.80 3ggs s ASP 152 Ca -0.07 -0.21 0.28 0.00 -0.52 0.00 0.00 52.55 52.03 3ggs s ASP 152 Cb -0.15 -1.77 1.11 0.00 -1.46 0.00 0.00 42.92 40.65 3ggs s ASP 152 CO 0.05 0.11 1.86 1.21 0.52 0.00 0.00 175.17 178.92 3ggs n GLU 153 N 3.91 0.04 0.27 4.34 2.13 -1.26 -1.66 120.64 128.41 3ggs n GLU 153 Ca -0.17 0.03 0.12 0.00 0.66 0.00 0.00 57.16 57.80 3ggs n GLU 153 Cb 0.52 -1.55 0.74 0.00 0.27 0.00 0.00 31.44 31.42 3ggs n GLU 153 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ggs h ARG 154 N 0.00 0.00 0.00 5.31 3.08 -2.01 -3.24 114.38 117.52 3ggs h ARG 154 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ggs h ARG 154 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3ggs h ARG 154 CO 0.00 0.10 -0.41 0.74 -1.07 0.00 0.00 179.97 179.34 3ggs h PHE 155 N 0.00 0.00 -1.37 3.04 0.04 -1.67 -3.51 116.94 113.47 3ggs h PHE 155 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ggs h PHE 155 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3ggs h PHE 155 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3ggs n GLY 156 N 1.65 1.08 3.75 -1.45 0.00 -0.99 -4.17 105.19 105.06 3ggs n GLY 156 Ca -0.06 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 3ggs n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ggs s ASP 157 N -0.86 3.96 0.05 1.61 1.01 -1.26 -3.99 116.67 117.19 3ggs s ASP 157 Ca 0.00 1.46 -0.19 0.00 0.71 0.00 0.00 52.55 54.53 3ggs s ASP 157 Cb 0.00 -2.17 -0.13 0.00 1.01 0.00 0.00 42.92 41.63 3ggs s ASP 157 CO 0.00 -2.33 1.36 -0.09 0.21 0.00 0.00 175.17 174.32 3ggs h ARG 158 N -1.33 0.42 -2.49 8.23 1.12 -1.96 -3.38 114.38 114.99 3ggs h ARG 158 Ca -0.48 -0.22 -0.62 0.00 -1.11 0.00 0.00 59.98 57.55 3ggs h ARG 158 Cb 1.27 0.01 -0.41 0.00 -0.01 0.00 0.00 29.97 30.83 3ggs h ARG 158 CO 0.56 0.78 -0.50 1.19 -3.11 0.00 0.00 179.97 178.89 3ggs n PHE 159 N -4.50 3.53 -2.35 2.20 3.72 -1.26 -5.09 117.46 113.70 3ggs n PHE 159 Ca -0.06 -4.12 -0.36 0.00 -0.05 0.00 0.00 57.45 52.85 3ggs n PHE 159 Cb 0.38 -0.63 -0.02 0.00 -0.94 0.00 0.00 39.48 38.27 3ggs n PHE 159 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3ggs s PRO 160 N -2.22 3.83 0.41 -1.08 0.04 -1.26 -5.03 135.00 129.70 3ggs s PRO 160 Ca 0.35 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 3ggs s PRO 160 Cb 0.09 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 3ggs s PRO 160 CO -0.05 -0.47 0.99 0.00 0.04 0.00 0.00 177.00 177.52 3ggs s ALA 161 N -1.63 3.05 0.00 8.56 0.00 -1.26 -4.99 121.76 125.49 3ggs s ALA 161 Ca 0.63 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3ggs s ALA 161 Cb -0.26 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3ggs s ALA 161 CO 0.31 -0.04 0.60 -1.33 0.00 0.00 0.00 175.76 175.30 3ggs n MET 162 N -0.32 0.81 0.17 0.00 2.81 -1.26 -4.81 117.12 114.52 3ggs n MET 162 Ca 0.06 -0.78 0.15 0.00 -1.81 0.00 0.00 57.70 55.32 3ggs n MET 162 Cb 0.52 -0.81 0.75 0.00 -0.71 0.00 0.00 33.22 32.97 3ggs n MET 162 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3ggs h SER 163 N 0.00 0.00 -0.51 7.83 0.02 -2.02 -2.41 113.55 116.46 3ggs h SER 163 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 3ggs h SER 163 Cb 0.48 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.72 3ggs h SER 163 CO 0.00 0.00 -0.74 -0.90 -1.14 0.00 0.00 176.83 174.05 3ggs n ASP 164 N -4.17 3.84 -0.31 3.07 3.85 -1.26 -4.81 116.55 116.76 3ggs n ASP 164 Ca 0.02 -3.72 -0.00 0.00 -0.71 0.00 0.00 54.79 50.38 3ggs n ASP 164 Cb 0.31 -0.40 0.17 0.00 -1.35 0.00 0.00 41.12 39.86 3ggs n ASP 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ggs h ALA 165 N 1.83 1.38 -2.52 2.12 0.00 -1.76 -3.39 119.26 116.92 3ggs h ALA 165 Ca 0.24 -0.06 -0.72 0.00 0.00 0.00 0.00 54.91 54.37 3ggs h ALA 165 Cb 1.38 -0.35 -0.23 0.00 0.00 0.00 0.00 17.79 18.59 3ggs h ALA 165 CO 0.51 0.56 -0.42 0.71 0.00 0.00 0.00 179.25 180.62 3ggs s TYR 166 N -6.00 3.25 -0.15 0.00 2.02 -1.26 -4.26 117.35 110.94 3ggs s TYR 166 Ca -0.12 -0.84 -0.38 0.00 -0.37 0.00 0.00 57.07 55.36 3ggs s TYR 166 Cb 0.18 -2.76 -0.14 0.00 -0.40 0.00 0.00 41.96 38.84 3ggs s TYR 166 CO 0.80 -0.68 1.73 -3.47 -1.57 0.00 0.00 175.55 172.37 3ggs n ASP 167 N 5.12 2.68 -0.18 2.29 4.64 -0.26 -4.90 116.55 125.95 3ggs n ASP 167 Ca -0.11 1.05 -0.02 0.00 -1.38 0.00 0.00 54.79 54.33 3ggs n ASP 167 Cb 0.45 -1.23 0.06 0.00 -1.04 0.00 0.00 41.12 39.36 3ggs n ASP 167 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 3ggs h ARG 168 N 7.48 0.04 -0.36 -0.67 9.65 -1.91 -2.61 114.38 125.99 3ggs h ARG 168 Ca -0.47 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.38 3ggs h ARG 168 Cb 1.30 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 3ggs h ARG 168 CO 0.93 0.03 0.12 1.15 2.80 0.00 0.00 179.97 185.00 3ggs h THR 169 N 0.04 1.21 -0.02 0.20 2.02 -1.99 -2.57 112.91 111.79 3ggs h THR 169 Ca 0.27 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 66.67 3ggs h THR 169 Cb 0.42 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3ggs h THR 169 CO -0.52 0.23 -0.53 0.24 0.37 0.00 0.00 175.52 175.31 3ggs h MET 170 N 0.43 0.06 -0.51 6.66 2.86 -1.91 -1.35 114.93 121.18 3ggs h MET 170 Ca 0.12 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 3ggs h MET 170 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3ggs h MET 170 CO -0.00 0.58 -0.16 0.00 1.06 0.00 0.00 176.91 178.38 3ggs h ARG 171 N 0.05 1.00 -0.38 1.72 3.08 -1.34 0.38 114.38 118.89 3ggs h ARG 171 Ca -0.00 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.58 3ggs h ARG 171 Cb 0.95 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3ggs h ARG 171 CO 0.07 1.08 -0.08 1.96 -1.07 0.00 0.00 179.97 181.93 3ggs h GLN 172 N 0.88 0.65 0.07 0.04 4.20 -1.10 -2.00 115.11 117.84 3ggs h GLN 172 Ca 0.12 -0.19 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 3ggs h GLN 172 Cb 0.73 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3ggs h GLN 172 CO 0.06 0.72 -1.11 0.00 -0.67 0.00 0.00 178.83 177.83 3ggs h ARG 173 N 0.60 0.19 0.22 1.46 3.08 -1.07 -1.39 114.38 117.46 3ggs h ARG 173 Ca 0.11 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.88 3ggs h ARG 173 Cb 0.49 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3ggs h ARG 173 CO 0.03 1.11 -0.24 0.00 -1.07 0.00 0.00 179.97 179.80 3ggs h ALA 174 N 0.77 -0.48 -0.88 0.04 0.00 -0.15 -0.31 119.26 118.25 3ggs h ALA 174 Ca -0.08 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ggs h ALA 174 Cb 1.83 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.91 3ggs h ALA 174 CO 0.17 -0.81 0.54 -0.07 0.00 0.00 0.00 179.25 179.09 3ggs h LEU 175 N -0.51 0.84 -0.34 0.00 3.38 -1.36 -0.46 115.31 116.86 3ggs h LEU 175 Ca 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3ggs h LEU 175 Cb 0.48 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3ggs h LEU 175 CO -0.07 0.52 -0.01 -1.28 0.09 0.00 0.00 178.44 177.69 3ggs h SER 176 N 0.97 0.60 -0.39 -0.43 0.87 -0.92 -2.18 113.55 112.07 3ggs h SER 176 Ca 0.39 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3ggs h SER 176 Cb 0.22 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3ggs h SER 176 CO -0.19 0.78 0.12 0.74 -0.53 0.00 0.00 176.83 177.75 3ggs h THR 177 N 0.42 1.21 -0.82 2.23 2.02 -0.79 -2.56 112.91 114.62 3ggs h THR 177 Ca 0.10 -0.71 0.11 0.00 0.77 0.00 0.00 66.41 66.68 3ggs h THR 177 Cb 0.47 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 3ggs h THR 177 CO 0.02 0.25 0.45 -0.25 0.37 0.00 0.00 175.52 176.35 3ggs h TRP 178 N 0.48 0.80 -0.81 3.16 2.91 -0.83 0.26 115.95 121.92 3ggs h TRP 178 Ca 0.12 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.13 3ggs h TRP 178 Cb 0.26 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 3ggs h TRP 178 CO 0.01 0.29 0.34 -0.22 -1.03 0.00 0.00 178.44 177.83 3ggs h LYS 179 N 0.72 1.20 -0.13 2.65 3.64 -1.32 -2.48 116.57 120.85 3ggs h LYS 179 Ca 0.41 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3ggs h LYS 179 Cb 0.44 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3ggs h LYS 179 CO -0.28 0.96 -0.13 0.37 -2.27 0.00 0.00 179.45 178.10 3ggs h GLN 180 N 1.17 0.20 0.00 1.90 4.15 -0.48 -2.77 115.11 119.28 3ggs h GLN 180 Ca 0.27 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 3ggs h GLN 180 Cb 0.19 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 3ggs h GLN 180 CO -0.03 0.33 -0.10 0.52 -1.93 0.00 0.00 178.83 177.62 3ggs h MET 181 N 0.19 0.00 -1.08 1.69 2.86 -0.14 -3.47 114.93 114.98 3ggs h MET 181 Ca 0.04 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 3ggs h MET 181 Cb 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3ggs h MET 181 CO 0.02 0.10 -0.21 0.41 1.06 0.00 0.00 176.91 178.30 3ggs n GLY 182 N 0.15 0.18 3.76 8.32 0.00 -1.05 -4.99 105.19 111.55 3ggs n GLY 182 Ca 0.01 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3ggs n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ggs s GLU 183 N -4.16 4.38 0.10 1.61 0.41 -1.25 -4.94 118.70 114.85 3ggs s GLU 183 Ca 0.00 2.15 -0.15 0.00 -0.41 0.00 0.00 54.97 56.56 3ggs s GLU 183 Cb 0.00 -3.12 -0.07 0.00 -1.78 0.00 0.00 34.13 29.15 3ggs s GLU 183 CO 0.00 -0.21 1.45 1.96 -0.49 0.00 0.00 175.26 177.97 3ggs h GLN 184 N 4.25 0.69 -6.47 1.61 1.08 -1.96 -3.42 115.11 110.89 3ggs h GLN 184 Ca -0.47 -0.33 -0.53 0.00 -1.45 0.00 0.00 58.65 55.87 3ggs h GLN 184 Cb 1.22 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.62 3ggs h GLN 184 CO 0.71 0.94 0.27 0.50 -0.95 0.00 0.00 178.83 180.30 3ggs s ARG 185 N -4.49 4.62 0.54 1.46 6.06 -1.26 -5.04 118.95 120.84 3ggs s ARG 185 Ca -0.13 1.29 -0.18 0.00 -2.50 0.00 0.00 55.73 54.22 3ggs s ARG 185 Cb 0.09 -3.36 -0.06 0.00 0.06 0.00 0.00 34.95 31.68 3ggs s ARG 185 CO 0.82 0.28 1.05 -1.21 -2.50 0.00 0.00 175.30 173.74 3ggs s GLU 186 N -0.15 3.56 -0.40 5.12 2.02 -1.26 -4.98 118.70 122.61 3ggs s GLU 186 Ca 0.43 1.30 -0.29 0.00 0.02 0.00 0.00 54.97 56.43 3ggs s GLU 186 Cb -0.22 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 31.96 3ggs s GLU 186 CO 0.27 -0.63 1.32 -1.17 0.02 0.00 0.00 175.26 175.08 3ggs s LEU 187 N -3.97 3.66 0.78 1.80 2.96 -1.26 -4.80 118.68 117.86 3ggs s LEU 187 Ca 0.66 0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 55.29 3ggs s LEU 187 Cb -0.17 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.04 3ggs s LEU 187 CO 0.28 -1.31 1.08 -1.10 -1.32 0.00 0.00 176.35 173.98 3ggs s GLN 188 N 4.65 2.20 -0.19 1.98 -1.52 -0.60 -4.85 119.66 121.33 3ggs s GLN 188 Ca 0.57 0.94 -0.13 0.00 -1.95 0.00 0.00 55.36 54.80 3ggs s GLN 188 Cb -0.13 -1.91 0.06 0.00 -0.22 0.00 0.00 33.01 30.81 3ggs s GLN 188 CO 0.30 -1.62 0.48 -2.00 -0.25 0.00 0.00 175.29 172.20 3ggs s GLU 189 N -4.99 0.50 0.00 2.91 2.12 -1.26 -0.26 118.70 117.72 3ggs s GLU 189 Ca 0.61 0.82 0.00 0.00 0.36 0.00 0.00 54.97 56.76 3ggs s GLU 189 Cb -0.16 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.33 3ggs s GLU 189 CO 0.56 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 3ggs n GLY 190 N 3.81 -0.65 3.68 -1.50 0.00 -1.05 -4.95 105.19 104.53 3ggs n GLY 190 Ca -0.20 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 3ggs n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ggs s THR 191 N -3.00 4.94 -0.30 2.61 2.01 -1.26 -1.27 115.64 119.37 3ggs s THR 191 Ca 0.00 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 3ggs s THR 191 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 3ggs s THR 191 CO 0.00 0.49 0.24 -0.47 -0.69 0.00 0.00 174.62 174.18 3ggs s TYR 192 N 0.12 3.22 -0.17 4.92 5.04 -0.61 -0.46 117.35 129.41 3ggs s TYR 192 Ca 0.06 0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.61 3ggs s TYR 192 Cb -0.12 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.70 3ggs s TYR 192 CO 0.00 -0.24 0.36 0.54 -1.34 0.00 0.00 175.55 174.88 3ggs s VAL 193 N 1.81 5.25 -0.19 3.14 0.11 0.50 -1.77 120.40 129.26 3ggs s VAL 193 Ca 0.08 0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 59.59 3ggs s VAL 193 Cb -0.16 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 3ggs s VAL 193 CO 0.11 0.32 0.61 -0.32 -3.33 0.00 0.00 175.10 172.49 3ggs s MET 194 N 0.84 4.22 0.23 1.54 1.75 -0.39 -2.38 119.30 125.11 3ggs s MET 194 Ca 0.19 0.59 0.08 0.00 -1.25 0.00 0.00 55.69 55.30 3ggs s MET 194 Cb -0.14 -3.56 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 3ggs s MET 194 CO 0.06 -0.20 0.01 0.08 -0.65 0.00 0.00 175.02 174.33 3ggs s VAL 195 N 1.76 3.61 0.04 10.11 1.01 -0.37 -3.23 120.40 133.34 3ggs s VAL 195 Ca 0.28 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 3ggs s VAL 195 Cb -0.16 -2.88 -0.31 0.00 0.00 0.00 0.00 36.38 33.02 3ggs s VAL 195 CO 0.11 -0.26 1.05 0.00 0.00 0.00 0.00 175.10 176.00 3ggs h ALA 196 N 2.21 -0.07 -0.25 5.51 0.00 -1.91 -3.37 119.26 121.38 3ggs h ALA 196 Ca -0.46 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3ggs h ALA 196 Cb 1.23 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ggs h ALA 196 CO 0.59 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.91 3ggs n GLY 197 N 1.50 -1.72 0.16 0.00 0.00 -1.26 -3.98 105.19 99.89 3ggs n GLY 197 Ca -0.15 -1.33 0.10 0.00 0.00 0.00 0.00 46.02 44.64 3ggs n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ggs h PRO 198 N 0.00 0.00 -7.00 1.61 0.13 -1.97 -3.45 132.00 121.31 3ggs h PRO 198 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 3ggs h PRO 198 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 3ggs h PRO 198 CO 0.00 0.07 0.67 -1.54 -0.23 0.00 0.00 178.00 176.96 3ggs s SER 199 N -5.84 5.74 0.84 1.44 1.04 -1.26 -5.01 113.70 110.66 3ggs s SER 199 Ca 0.03 2.85 -0.13 0.00 0.48 0.00 0.00 55.95 59.18 3ggs s SER 199 Cb 0.07 -2.65 0.11 0.00 0.10 0.00 0.00 66.02 63.66 3ggs s SER 199 CO 0.74 -1.26 1.21 -0.36 0.98 0.00 0.00 173.24 174.55 3ggs s PHE 200 N -1.24 2.62 0.36 5.02 0.40 -1.26 -5.02 117.98 118.86 3ggs s PHE 200 Ca 0.64 0.64 -0.25 0.00 -0.60 0.00 0.00 56.93 57.36 3ggs s PHE 200 Cb -0.42 -3.64 -0.10 0.00 0.51 0.00 0.00 43.02 39.37 3ggs s PHE 200 CO 0.53 -1.98 0.98 -0.65 0.70 0.00 0.00 175.22 174.80 3ggs s GLN 201 N -5.64 4.40 0.77 0.44 1.11 -1.26 -5.06 119.66 114.42 3ggs s GLN 201 Ca 0.65 1.37 -0.12 0.00 0.01 0.00 0.00 55.36 57.27 3ggs s GLN 201 Cb -0.09 -2.64 0.05 0.00 -1.01 0.00 0.00 33.01 29.32 3ggs s GLN 201 CO 0.50 0.10 1.12 0.95 0.01 0.00 0.00 175.29 177.97 3ggs s THR 202 N -1.70 2.94 0.14 -0.19 -4.23 -1.26 -4.85 115.64 106.50 3ggs s THR 202 Ca 0.54 0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 61.18 3ggs s THR 202 Cb -0.19 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 3ggs s THR 202 CO 0.24 -0.40 1.79 0.58 -0.54 0.00 0.00 174.62 176.29 3ggs h VAL 203 N -0.92 1.05 -0.76 2.29 2.07 -1.96 0.64 116.25 118.65 3ggs h VAL 203 Ca -0.46 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.05 3ggs h VAL 203 Cb 1.28 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 3ggs h VAL 203 CO 0.63 0.07 0.35 0.00 0.02 0.00 0.00 177.57 178.64 3ggs h ALA 204 N 1.13 1.09 -0.18 1.67 0.00 -1.93 -0.05 119.26 120.99 3ggs h ALA 204 Ca 0.12 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3ggs h ALA 204 Cb -0.01 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ggs h ALA 204 CO -0.05 -0.14 -0.73 0.93 0.00 0.00 0.00 179.25 179.27 3ggs h GLU 205 N 0.53 0.78 -0.71 0.00 5.08 -1.80 -2.45 114.58 116.01 3ggs h GLU 205 Ca 0.41 -0.61 0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3ggs h GLU 205 Cb 0.56 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3ggs h GLU 205 CO -0.36 1.22 0.43 0.00 -1.00 0.00 0.00 179.01 179.30 3ggs h ARG 207 N 0.80 0.61 -0.17 0.00 3.08 -0.79 -0.34 114.38 117.57 3ggs h ARG 207 Ca 0.31 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 60.08 3ggs h ARG 207 Cb 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3ggs h ARG 207 CO -0.15 0.51 -0.64 -0.39 -1.07 0.00 0.00 179.97 178.23 3ggs h VAL 208 N 0.60 1.30 -0.55 2.04 -1.51 -0.97 -1.72 116.25 115.45 3ggs h VAL 208 Ca 0.15 -1.86 0.05 0.00 -1.23 0.00 0.00 66.70 63.81 3ggs h VAL 208 Cb 0.14 1.96 -0.05 0.00 -2.13 0.00 0.00 31.29 31.20 3ggs h VAL 208 CO -0.01 0.59 0.27 -0.07 -1.23 0.00 0.00 177.57 177.12 3ggs h LEU 209 N 0.45 0.38 0.13 4.19 4.07 -0.99 0.40 115.31 123.93 3ggs h LEU 209 Ca -0.03 0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.98 3ggs h LEU 209 Cb 1.27 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.95 3ggs h LEU 209 CO 0.13 0.26 -0.21 1.56 -1.08 0.00 0.00 178.44 179.11 3ggs h GLN 210 N 0.52 -0.39 -0.29 1.13 4.20 -1.02 -2.60 115.11 116.66 3ggs h GLN 210 Ca 0.25 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.00 3ggs h GLN 210 Cb 0.17 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3ggs h GLN 210 CO -0.18 -0.26 0.19 0.87 -0.67 0.00 0.00 178.83 178.79 3ggs h LYS 211 N -0.40 0.34 0.00 1.46 1.57 -0.53 0.94 116.57 119.95 3ggs h LYS 211 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ggs h LYS 211 Cb 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3ggs h LYS 211 CO -0.10 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.28 3ggs n LEU 212 N -4.49 0.58 0.00 2.94 4.32 0.13 -4.89 117.00 115.59 3ggs n LEU 212 Ca 0.02 0.68 0.00 0.00 -0.02 0.00 0.00 56.01 56.69 3ggs n LEU 212 Cb 0.11 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 3ggs n LEU 212 CO 0.35 -0.67 0.00 0.61 -1.22 0.00 0.00 177.39 176.46 3ggs n GLY 213 N -0.47 0.92 3.75 -0.72 0.00 0.33 -5.08 105.19 103.91 3ggs n GLY 213 Ca 0.01 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3ggs n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggs s ALA 214 N -2.00 3.37 -0.12 4.61 0.00 -1.01 -4.69 121.76 121.92 3ggs s ALA 214 Ca 0.00 0.33 0.22 0.00 0.00 0.00 0.00 51.96 52.51 3ggs s ALA 214 Cb 0.00 -3.02 -0.20 0.00 0.00 0.00 0.00 23.12 19.90 3ggs s ALA 214 CO 0.00 0.10 0.70 -0.25 0.00 0.00 0.00 175.76 176.30 3ggs n ASP 215 N 2.59 0.37 -3.71 0.00 8.00 0.39 -4.47 116.55 119.71 3ggs n ASP 215 Ca -0.02 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.48 3ggs n ASP 215 Cb 0.50 1.29 -0.09 0.00 -0.02 0.00 0.00 41.12 42.80 3ggs n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ggs s ALA 216 N -3.40 -1.08 -0.03 2.24 0.00 -0.84 -1.21 121.76 117.44 3ggs s ALA 216 Ca -0.05 0.93 0.05 0.00 0.00 0.00 0.00 51.96 52.89 3ggs s ALA 216 Cb 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 3ggs s ALA 216 CO 0.86 -0.25 -0.19 0.54 0.00 0.00 0.00 175.76 176.71 3ggs s VAL 217 N -0.53 1.53 0.30 0.00 0.11 -0.16 -0.37 120.40 121.28 3ggs s VAL 217 Ca -0.06 -0.81 -0.09 0.00 -2.93 0.00 0.00 61.98 58.08 3ggs s VAL 217 Cb -0.03 -1.29 0.04 0.00 -1.53 0.00 0.00 36.38 33.57 3ggs s VAL 217 CO 0.03 0.44 0.56 0.61 -3.33 0.00 0.00 175.10 173.41 3ggs n GLY 218 N 2.79 1.44 0.45 6.54 0.00 -1.00 -0.83 105.19 114.58 3ggs n GLY 218 Ca -0.16 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.66 3ggs n GLY 218 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ggs n MET 219 N -0.42 1.54 -0.19 1.61 2.81 -1.26 -1.23 117.12 119.98 3ggs n MET 219 Ca -0.05 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 3ggs n MET 219 Cb 0.46 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 3ggs n MET 219 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3ggs n SER 220 N -1.22 0.00 0.00 7.83 3.41 -1.26 -4.54 113.62 117.84 3ggs n SER 220 Ca 0.19 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3ggs n SER 220 Cb 0.70 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 3ggs n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ggs n THR 221 N 0.00 0.00 -0.12 6.66 -1.04 -1.26 -4.52 114.28 114.00 3ggs n THR 221 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3ggs n THR 221 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 3ggs n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3ggs h VAL 222 N 0.00 0.81 -0.73 12.58 2.07 -1.97 -0.94 116.25 128.07 3ggs h VAL 222 Ca 0.00 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.57 3ggs h VAL 222 Cb 0.00 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 3ggs h VAL 222 CO 0.00 0.04 0.31 -0.65 0.02 0.00 0.00 177.57 177.29 3ggs h PRO 223 N 0.22 0.47 -0.24 1.57 0.11 -1.99 -0.84 132.00 131.31 3ggs h PRO 223 Ca 0.19 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3ggs h PRO 223 Cb 0.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3ggs h PRO 223 CO -0.24 0.31 0.13 0.93 -0.21 0.00 0.00 178.00 178.92 3ggs h GLU 224 N 0.48 0.33 -0.40 1.05 3.07 -1.69 -2.83 114.58 114.59 3ggs h GLU 224 Ca 0.39 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.22 3ggs h GLU 224 Cb 0.54 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3ggs h GLU 224 CO -0.36 0.30 0.25 0.28 -1.40 0.00 0.00 179.01 178.09 3ggs h VAL 225 N 0.27 1.08 -0.33 3.13 2.07 -0.63 -1.02 116.25 120.82 3ggs h VAL 225 Ca 0.08 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3ggs h VAL 225 Cb 0.07 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3ggs h VAL 225 CO -0.01 0.09 0.01 0.40 0.02 0.00 0.00 177.57 178.08 3ggs h ILE 226 N 0.52 0.77 -0.09 4.57 2.04 -1.14 -0.62 117.51 123.55 3ggs h ILE 226 Ca 0.15 -0.04 -0.21 0.00 1.00 0.00 0.00 64.86 65.77 3ggs h ILE 226 Cb -0.03 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3ggs h ILE 226 CO -0.05 0.02 -0.80 -0.37 0.00 0.00 0.00 178.15 176.95 3ggs h VAL 227 N 0.11 1.34 -0.67 1.67 -1.51 -1.31 -0.74 116.25 115.14 3ggs h VAL 227 Ca 0.16 -2.13 0.08 0.00 -1.23 0.00 0.00 66.70 63.57 3ggs h VAL 227 Cb 0.21 2.13 -0.06 0.00 -2.13 0.00 0.00 31.29 31.44 3ggs h VAL 227 CO -0.26 0.65 0.34 0.00 -1.23 0.00 0.00 177.57 177.07 3ggs h ALA 228 N 0.75 0.90 -0.31 5.19 0.00 -1.02 -0.50 119.26 124.28 3ggs h ALA 228 Ca -0.05 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3ggs h ALA 228 Cb 1.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3ggs h ALA 228 CO 0.15 -0.03 -0.45 0.00 0.00 0.00 0.00 179.25 178.92 3ggs h ARG 229 N 0.61 0.79 -0.91 0.00 2.47 -0.92 -0.57 114.38 115.84 3ggs h ARG 229 Ca 0.32 -0.44 0.20 0.00 -1.26 0.00 0.00 59.98 58.80 3ggs h ARG 229 Cb 0.28 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.56 3ggs h ARG 229 CO -0.23 1.07 0.60 1.25 0.56 0.00 0.00 179.97 183.22 3ggs h HIS 230 N 0.63 0.58 0.00 3.04 2.76 -0.58 -0.96 115.15 120.62 3ggs h HIS 230 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3ggs h HIS 230 Cb 1.02 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.80 3ggs h HIS 230 CO 0.06 0.15 0.00 0.00 -1.30 0.00 0.00 177.93 176.83 3ggs n GLY 232 N 1.22 0.54 3.77 0.00 0.00 -0.37 -4.96 105.19 105.40 3ggs n GLY 232 Ca 0.05 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3ggs n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ggs s LEU 233 N 0.00 4.34 0.14 0.99 1.02 -0.30 -5.00 118.68 119.87 3ggs s LEU 233 Ca 0.00 2.71 -0.30 0.00 0.02 0.00 0.00 54.13 56.56 3ggs s LEU 233 Cb 0.00 -3.75 -0.07 0.00 0.02 0.00 0.00 46.19 42.39 3ggs s LEU 233 CO 0.00 -0.69 1.17 -0.60 0.02 0.00 0.00 176.35 176.25 3ggs s ARG 234 N -1.99 4.50 -0.06 1.70 3.52 0.26 -4.42 118.95 122.46 3ggs s ARG 234 Ca 0.52 1.79 0.03 0.00 -0.13 0.00 0.00 55.73 57.94 3ggs s ARG 234 Cb -0.40 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 3ggs s ARG 234 CO 0.53 -0.10 -0.16 0.08 -0.81 0.00 0.00 175.30 174.84 3ggs s VAL 235 N 0.28 1.41 0.05 7.11 1.01 -1.26 0.81 120.40 129.81 3ggs s VAL 235 Ca 0.54 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3ggs s VAL 235 Cb -0.30 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3ggs s VAL 235 CO 0.33 0.41 0.05 0.72 0.00 0.00 0.00 175.10 176.62 3ggs s PHE 236 N 0.35 0.32 0.15 5.22 -0.12 -1.02 -1.10 117.98 121.78 3ggs s PHE 236 Ca -0.11 -0.74 -0.25 0.00 -0.05 0.00 0.00 56.93 55.79 3ggs s PHE 236 Cb -0.14 -0.23 0.06 0.00 -0.63 0.00 0.00 43.02 42.08 3ggs s PHE 236 CO 0.04 -0.39 0.87 0.20 -0.05 0.00 0.00 175.22 175.90 3ggs s GLY 237 N -2.51 -0.28 0.01 1.99 0.00 -1.26 -2.00 107.32 103.28 3ggs s GLY 237 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.96 3ggs s GLY 237 CO -0.08 0.05 -0.05 -1.36 0.00 0.00 0.00 173.10 171.67 3ggs s PHE 238 N -3.41 0.40 -0.13 1.90 0.08 -0.41 -1.04 117.98 115.37 3ggs s PHE 238 Ca 0.10 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 3ggs s PHE 238 Cb -0.02 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.15 3ggs s PHE 238 CO 0.00 -0.05 -0.05 -1.12 -0.10 0.00 0.00 175.22 173.89 3ggs s SER 239 N -0.70 4.67 -0.24 1.36 0.01 -0.35 -1.35 113.70 117.10 3ggs s SER 239 Ca -0.04 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 56.90 3ggs s SER 239 Cb -0.05 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 3ggs s SER 239 CO -0.00 0.21 0.54 -0.22 0.41 0.00 0.00 173.24 174.18 3ggs s LEU 240 N 0.11 4.08 -0.67 2.44 2.96 0.36 -0.12 118.68 127.83 3ggs s LEU 240 Ca -0.02 0.60 -0.27 0.00 -0.22 0.00 0.00 54.13 54.22 3ggs s LEU 240 Cb -0.14 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.86 3ggs s LEU 240 CO 0.03 -0.27 1.45 -0.63 -1.32 0.00 0.00 176.35 175.61 3ggs s ILE 241 N 2.17 3.65 -0.19 6.68 -1.09 -0.14 -1.01 121.20 131.27 3ggs s ILE 241 Ca 0.23 0.42 0.18 0.00 -2.23 0.00 0.00 60.65 59.24 3ggs s ILE 241 Cb -0.16 -4.57 0.01 0.00 -1.58 0.00 0.00 42.46 36.16 3ggs s ILE 241 CO 0.09 -1.47 1.17 0.71 -1.23 0.00 0.00 174.94 174.21 3ggs h THR 242 N 6.32 0.49 -1.95 2.92 1.35 -1.55 -0.05 112.91 120.44 3ggs h THR 242 Ca -0.27 -1.80 -0.04 0.00 -0.55 0.00 0.00 66.41 63.75 3ggs h THR 242 Cb 1.09 2.08 -0.20 0.00 -1.73 0.00 0.00 68.15 69.39 3ggs h THR 242 CO 1.24 0.28 0.22 1.51 -0.25 0.00 0.00 175.52 178.52 3ggs s ASP 243 N -6.00 -0.65 -0.24 5.36 -4.77 -1.25 -4.81 116.67 104.30 3ggs s ASP 243 Ca 0.01 0.82 -0.29 0.00 -3.30 0.00 0.00 52.55 49.79 3ggs s ASP 243 Cb 0.08 0.68 0.01 0.00 -1.09 0.00 0.00 42.92 42.60 3ggs s ASP 243 CO 0.77 -0.52 1.03 -0.54 0.70 0.00 0.00 175.17 176.61 3ggs s LYS 244 N -0.89 4.23 0.06 2.11 1.02 -1.26 -0.68 119.74 124.33 3ggs s LYS 244 Ca -0.08 1.30 -0.30 0.00 0.02 0.00 0.00 55.97 56.91 3ggs s LYS 244 Cb -0.01 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 3ggs s LYS 244 CO 0.07 -0.66 1.05 0.14 -0.92 0.00 0.00 175.35 175.04 3ggs s VAL 245 N 3.24 4.44 -0.07 3.17 -7.23 -0.65 -4.88 120.40 118.41 3ggs s VAL 245 Ca 0.44 1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 62.14 3ggs s VAL 245 Cb -0.15 -4.17 -0.05 0.00 0.56 0.00 0.00 36.38 32.57 3ggs s VAL 245 CO 0.07 0.19 1.58 -0.63 -0.31 0.00 0.00 175.10 176.00 3ggs s ILE 246 N 0.68 3.70 -0.26 -0.62 -1.09 -1.26 -4.89 121.20 117.46 3ggs s ILE 246 Ca 0.53 0.86 0.14 0.00 -2.23 0.00 0.00 60.65 59.95 3ggs s ILE 246 Cb -0.25 -3.56 0.34 0.00 -1.58 0.00 0.00 42.46 37.41 3ggs s ILE 246 CO 0.30 -0.07 1.25 1.15 -1.23 0.00 0.00 174.94 176.33 3ggs n MET 247 N 6.97 2.40 -3.84 2.79 0.00 -1.26 -4.54 117.12 119.64 3ggs n MET 247 Ca 0.16 -2.44 -0.06 0.00 0.00 0.00 0.00 57.70 55.37 3ggs n MET 247 Cb 0.43 -1.52 0.01 0.00 0.00 0.00 0.00 33.22 32.14 3ggs n MET 247 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3ggs s ASP 248 N -1.95 -0.04 0.01 3.17 1.47 -1.26 -4.90 116.67 113.17 3ggs s ASP 248 Ca 0.30 -0.82 0.19 0.00 1.18 0.00 0.00 52.55 53.40 3ggs s ASP 248 Cb 0.24 0.66 -0.19 0.00 -0.34 0.00 0.00 42.92 43.28 3ggs s ASP 248 CO 0.07 -1.28 0.63 -1.22 0.68 0.00 0.00 175.17 174.04 3ggs n TYR 249 N -0.59 0.53 0.21 2.11 4.01 -1.26 -3.61 117.16 118.57 3ggs n TYR 249 Ca -0.06 0.17 -0.15 0.00 -0.16 0.00 0.00 57.90 57.71 3ggs n TYR 249 Cb 0.60 -0.89 -0.07 0.00 -0.31 0.00 0.00 39.34 38.67 3ggs n TYR 249 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ggs h GLU 250 N 0.00 -0.57 -0.44 -0.72 4.81 -2.02 -2.66 114.58 112.98 3ggs h GLU 250 Ca -0.16 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3ggs h GLU 250 Cb 1.44 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.95 3ggs h GLU 250 CO 0.02 -0.38 0.00 -1.13 -0.73 0.00 0.00 179.01 176.79 3ggs n SER 251 N -5.38 1.28 -0.01 1.04 3.41 -1.26 -2.87 113.62 109.82 3ggs n SER 251 Ca -0.09 -2.07 -0.22 0.00 -0.26 0.00 0.00 58.87 56.23 3ggs n SER 251 Cb 0.29 -0.27 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 3ggs n SER 251 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3ggs h LEU 252 N 0.90 0.33 -0.17 1.04 6.46 -1.54 -3.37 115.31 118.95 3ggs h LEU 252 Ca 0.00 -0.82 0.05 0.00 -0.12 0.00 0.00 57.88 56.99 3ggs h LEU 252 Cb 0.44 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.20 3ggs h LEU 252 CO 0.04 1.68 -0.23 -0.33 -0.62 0.00 0.00 178.44 178.98 3ggs h GLU 253 N -0.31 -0.26 -5.76 1.25 5.08 -1.38 -3.38 114.58 109.82 3ggs h GLU 253 Ca -0.35 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.52 3ggs h GLU 253 Cb 1.77 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.08 3ggs h GLU 253 CO 0.02 -0.17 1.57 0.15 -1.00 0.00 0.00 179.01 179.58 3ggs s LYS 254 N -6.09 2.48 0.43 2.33 1.02 -1.21 -4.95 119.74 113.75 3ggs s LYS 254 Ca -0.15 1.60 0.07 0.00 0.02 0.00 0.00 55.97 57.51 3ggs s LYS 254 Cb 0.11 -4.50 -0.03 0.00 -0.52 0.00 0.00 37.83 32.89 3ggs s LYS 254 CO 0.67 -2.85 0.31 0.00 -0.92 0.00 0.00 175.35 172.57 3ggs s ALA 255 N 10.73 3.93 0.36 5.17 0.00 -1.26 -4.91 121.76 135.79 3ggs s ALA 255 Ca 0.97 -1.92 0.07 0.00 0.00 0.00 0.00 51.96 51.09 3ggs s ALA 255 Cb -0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3ggs s ALA 255 CO 0.29 -0.23 0.25 0.27 0.00 0.00 0.00 175.76 176.35 3ggs n ASN 256 N -1.46 -0.17 -4.58 0.00 2.04 -1.26 -5.04 115.26 104.79 3ggs n ASN 256 Ca 0.02 -3.25 -0.14 0.00 -0.44 0.00 0.00 54.58 50.76 3ggs n ASN 256 Cb 0.63 1.54 -0.11 0.00 -2.53 0.00 0.00 39.78 39.31 3ggs n ASN 256 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 3ggs s HIS 257 N -3.32 1.19 0.14 -2.53 5.65 -1.26 -4.91 115.29 110.25 3ggs s HIS 257 Ca 0.35 2.32 -0.30 0.00 0.25 0.00 0.00 55.06 57.68 3ggs s HIS 257 Cb 0.02 -3.32 -0.08 0.00 -1.18 0.00 0.00 32.58 28.02 3ggs s HIS 257 CO 0.25 -0.76 1.27 -2.00 -0.65 0.00 0.00 174.74 172.85 3ggs s GLU 258 N 8.56 4.41 0.00 2.88 2.56 -1.26 -4.87 118.70 130.98 3ggs s GLU 258 Ca 0.83 1.93 0.00 0.00 0.00 0.00 0.00 54.97 57.74 3ggs s GLU 258 Cb -0.06 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.81 3ggs s GLU 258 CO 0.17 -0.25 0.00 -1.91 -0.56 0.00 0.00 175.26 172.71 3ggs n GLU 259 N 3.24 0.00 0.10 4.30 2.13 -1.26 -5.04 120.64 124.12 3ggs n GLU 259 Ca 0.08 0.00 0.16 0.00 0.66 0.00 0.00 57.16 58.06 3ggs n GLU 259 Cb 0.44 0.00 0.70 0.00 0.27 0.00 0.00 31.44 32.85 3ggs n GLU 259 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 3ggs h VAL 260 N 0.00 0.77 0.00 6.31 -1.51 -1.95 -3.38 116.25 116.49 3ggs h VAL 260 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3ggs h VAL 260 Cb 0.00 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 3ggs h VAL 260 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 177.57 176.23 3ggs n LEU 261 N -4.34 0.00 -0.10 4.19 7.94 -1.26 -4.18 117.00 119.24 3ggs n LEU 261 Ca 0.05 0.79 0.13 0.00 -1.11 0.00 0.00 56.01 55.87 3ggs n LEU 261 Cb 0.42 -0.29 0.44 0.00 0.53 0.00 0.00 43.42 44.52 3ggs n LEU 261 CO 0.35 -0.29 0.70 0.00 -1.11 0.00 0.00 177.39 177.04 3ggs n ALA 262 N -1.63 3.03 0.17 1.96 0.00 -1.26 -1.14 120.51 121.64 3ggs n ALA 262 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.21 3ggs n ALA 262 Cb 0.00 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 18.31 3ggs n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ggs h ALA 263 N 3.38 0.83 0.00 0.00 0.00 -1.85 -3.14 119.26 118.47 3ggs h ALA 263 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ggs h ALA 263 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ggs h ALA 263 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 3ggs n GLY 264 N 1.17 -0.87 0.24 0.00 0.00 -0.29 -1.16 105.19 104.27 3ggs n GLY 264 Ca 0.03 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 3ggs n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ggs h LYS 265 N 0.00 -0.51 -0.98 1.61 1.57 -1.65 0.92 116.57 117.53 3ggs h LYS 265 Ca 0.00 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.99 3ggs h LYS 265 Cb 0.04 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 3ggs h LYS 265 CO 0.00 -0.32 0.58 1.96 -0.57 0.00 0.00 179.45 181.10 3ggs h GLN 266 N -1.13 0.76 -0.27 3.15 4.20 -1.66 0.29 115.11 120.43 3ggs h GLN 266 Ca -0.05 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 3ggs h GLN 266 Cb 0.42 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3ggs h GLN 266 CO 0.09 0.50 -0.47 0.00 -0.67 0.00 0.00 178.83 178.28 3ggs h ALA 267 N 1.61 0.42 -0.29 3.87 0.00 -1.22 -1.84 119.26 121.82 3ggs h ALA 267 Ca 0.55 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3ggs h ALA 267 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ggs h ALA 267 CO -0.36 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 179.02 3ggs h ALA 268 N 0.67 0.45 -0.27 0.00 0.00 -0.26 -3.00 119.26 116.84 3ggs h ALA 268 Ca 0.02 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3ggs h ALA 268 Cb 1.08 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 3ggs h ALA 268 CO 0.11 0.60 -0.18 1.96 0.00 0.00 0.00 179.25 181.73 3ggs h GLN 269 N 0.59 -0.16 -0.76 0.00 4.20 -0.45 -0.46 115.11 118.08 3ggs h GLN 269 Ca 0.03 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.91 3ggs h GLN 269 Cb 1.05 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.76 3ggs h GLN 269 CO 0.10 -0.10 0.21 -0.22 -0.67 0.00 0.00 178.83 178.15 3ggs h LYS 270 N -0.16 0.29 -0.11 1.46 1.63 -1.32 0.29 116.57 118.64 3ggs h LYS 270 Ca 0.15 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.76 3ggs h LYS 270 Cb 0.38 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 3ggs h LYS 270 CO -0.37 0.19 -0.67 1.25 -3.45 0.00 0.00 179.45 176.40 3ggs h LEU 271 N 0.29 0.50 -0.10 5.20 6.46 -1.30 -1.76 115.31 124.61 3ggs h LEU 271 Ca 0.43 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3ggs h LEU 271 Cb 0.74 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3ggs h LEU 271 CO -0.51 1.03 0.02 -0.33 -0.62 0.00 0.00 178.44 178.03 3ggs h GLU 272 N 0.31 0.17 0.00 1.25 5.08 0.15 -1.60 114.58 119.93 3ggs h GLU 272 Ca -0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3ggs h GLU 272 Cb 1.23 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3ggs h GLU 272 CO 0.12 0.38 -0.17 -0.56 -1.00 0.00 0.00 179.01 177.78 3ggs h GLN 273 N -0.06 0.00 -0.11 2.33 3.07 -0.48 -2.27 115.11 117.60 3ggs h GLN 273 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.53 3ggs h GLN 273 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.86 3ggs h GLN 273 CO 0.00 0.17 -0.87 0.35 0.09 0.00 0.00 178.83 178.57 3ggs h PHE 274 N 0.00 1.08 -0.65 0.06 3.57 -1.03 -1.64 116.94 118.32 3ggs h PHE 274 Ca -0.00 -0.51 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 3ggs h PHE 274 Cb 0.37 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3ggs h PHE 274 CO 0.00 1.35 0.40 0.28 -2.23 0.00 0.00 178.31 178.10 3ggs h VAL 275 N 0.50 1.18 0.28 1.41 2.07 -1.07 -1.48 116.25 119.14 3ggs h VAL 275 Ca -0.08 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3ggs h VAL 275 Cb 1.50 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3ggs h VAL 275 CO 0.18 0.19 -0.13 0.28 0.02 0.00 0.00 177.57 178.10 3ggs h SER 276 N 0.90 -0.32 -0.78 0.57 0.02 -1.17 -2.83 113.55 109.94 3ggs h SER 276 Ca 0.24 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 3ggs h SER 276 Cb -0.04 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 3ggs h SER 276 CO -0.05 -0.21 0.47 0.40 -1.14 0.00 0.00 176.83 176.30 3ggs h ILE 277 N -0.39 1.03 0.00 3.27 2.04 -1.08 -2.10 117.51 120.28 3ggs h ILE 277 Ca -0.04 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ggs h ILE 277 Cb 0.30 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3ggs h ILE 277 CO 0.06 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.55 3ggs n LEU 278 N -4.67 0.08 0.21 1.44 4.77 -0.58 -2.32 117.00 115.93 3ggs n LEU 278 Ca 0.10 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.67 3ggs n LEU 278 Cb 0.16 -0.51 0.59 0.00 -2.33 0.00 0.00 43.42 41.33 3ggs n LEU 278 CO 0.31 -0.27 1.08 0.24 -1.33 0.00 0.00 177.39 177.42 3ggs h MET 279 N 0.00 0.11 0.00 3.23 2.86 -1.14 -1.11 114.93 118.88 3ggs h MET 279 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ggs h MET 279 Cb 0.28 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3ggs h MET 279 CO 0.00 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.05 3ggs h ALA 280 N 1.94 1.00 -0.00 6.32 0.00 -1.65 -3.25 119.26 123.62 3ggs h ALA 280 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ggs h ALA 280 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ggs h ALA 280 CO -0.01 0.00 -0.96 0.43 0.00 0.00 0.00 179.25 178.71 3ggs n SER 281 N -2.82 1.04 -4.73 0.00 7.64 -0.43 -4.91 113.62 109.41 3ggs n SER 281 Ca 0.02 -1.01 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 3ggs n SER 281 Cb 0.31 0.95 -0.03 0.00 -1.01 0.00 0.00 64.21 64.43 3ggs n SER 281 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ggs s ILE 282 N -2.97 3.32 0.90 0.44 1.01 -1.14 -4.99 121.20 117.77 3ggs s ILE 282 Ca 0.09 1.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.65 3ggs s ILE 282 Cb 0.16 -3.65 0.14 0.00 0.01 0.00 0.00 42.46 39.11 3ggs s ILE 282 CO 0.85 0.12 1.16 -2.84 0.00 0.00 0.00 174.94 174.23 3ggs s PRO 283 N 0.41 1.11 0.49 2.79 0.02 -1.26 -5.03 135.00 133.54 3ggs s PRO 283 Ca 0.60 1.59 -0.04 0.00 0.02 0.00 0.00 61.00 63.16 3ggs s PRO 283 Cb -0.36 -1.74 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 3ggs s PRO 283 CO 0.35 -2.57 0.77 -0.51 -0.33 0.00 0.00 177.00 174.71 3ggs s LEU 284 N -6.46 3.58 0.00 -5.54 1.43 -1.26 -5.07 118.68 105.37 3ggs s LEU 284 Ca 0.68 0.73 0.27 0.00 -1.03 0.00 0.00 54.13 54.78 3ggs s LEU 284 Cb -0.24 -3.64 0.88 0.00 0.03 0.00 0.00 46.19 43.22 3ggs s LEU 284 CO 0.57 -0.67 1.65 -0.81 0.23 0.00 0.00 176.35 177.31