#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 0.63 3.38 7.41 0.00 -1.26 -5.12 105.19 110.22 3ggs n GLY 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 2.98 0.65 1.61 2.02 -1.26 -5.11 117.35 118.23 3ggs s TYR 5 Ca 0.00 -0.69 -0.11 0.00 -0.37 0.00 0.00 57.07 55.90 3ggs s TYR 5 Cb 0.00 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 3ggs s TYR 5 CO 0.00 -0.37 1.04 0.95 -1.57 0.00 0.00 175.55 175.60 3ggs s THR 6 N 1.14 4.45 0.20 -0.71 -4.23 -1.26 -4.97 115.64 110.25 3ggs s THR 6 Ca 0.02 0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 61.22 3ggs s THR 6 Cb -0.15 -3.69 0.12 0.00 1.34 0.00 0.00 72.50 70.12 3ggs s THR 6 CO 0.00 -1.04 1.75 0.22 -0.54 0.00 0.00 174.62 175.01 3ggs h TYR 7 N -0.47 0.38 -0.95 3.99 3.20 -2.01 -1.86 116.97 119.25 3ggs h TYR 7 Ca -0.44 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.55 3ggs h TYR 7 Cb 1.20 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 3ggs h TYR 7 CO 0.64 0.12 0.59 1.49 -1.64 0.00 0.00 178.16 179.36 3ggs h GLU 8 N 0.41 0.97 -0.05 1.82 4.57 -1.98 -1.15 114.58 119.17 3ggs h GLU 8 Ca 0.28 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.44 3ggs h GLU 8 Cb 0.31 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3ggs h GLU 8 CO -0.27 0.64 -0.29 -0.44 -1.18 0.00 0.00 179.01 177.47 3ggs h ASP 9 N 1.00 -0.87 -0.18 1.04 3.32 -1.71 0.69 116.42 119.70 3ggs h ASP 9 Ca 0.45 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.64 3ggs h ASP 9 Cb 0.34 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3ggs h ASP 9 CO -0.23 -0.35 0.04 1.88 -1.72 0.00 0.00 179.24 178.86 3ggs h TYR 10 N -0.41 0.06 -0.75 4.55 0.05 -1.36 -1.85 116.97 117.27 3ggs h TYR 10 Ca 0.07 0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.98 3ggs h TYR 10 Cb 0.52 -0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.17 3ggs h TYR 10 CO -0.34 0.02 0.35 -0.22 -1.05 0.00 0.00 178.16 176.92 3ggs h LYS 11 N 0.11 0.53 -0.48 4.88 3.64 -0.62 -1.38 116.57 123.25 3ggs h LYS 11 Ca 0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3ggs h LYS 11 Cb 0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3ggs h LYS 11 CO -0.11 0.35 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.47 3ggs h ASN 12 N 0.55 0.82 -0.03 4.20 2.35 0.10 -1.47 115.58 122.10 3ggs h ASN 12 Ca 0.39 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3ggs h ASN 12 Cb 0.50 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3ggs h ASN 12 CO -0.33 0.91 -0.01 0.74 -1.65 0.00 0.00 177.43 177.10 3ggs h THR 13 N 0.77 1.29 -0.62 2.81 2.02 -0.80 -1.57 112.91 116.81 3ggs h THR 13 Ca 0.14 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.47 3ggs h THR 13 Cb 0.53 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 3ggs h THR 13 CO 0.03 0.23 0.38 0.00 0.37 0.00 0.00 175.52 176.53 3ggs h ALA 14 N 0.65 0.81 -0.57 6.16 0.00 -1.16 -1.15 119.26 124.00 3ggs h ALA 14 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ggs h ALA 14 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ggs h ALA 14 CO 0.00 0.11 0.36 0.93 0.00 0.00 0.00 179.25 180.66 3ggs h GLU 15 N 0.74 0.71 0.01 0.00 5.08 -1.27 -1.15 114.58 118.69 3ggs h GLU 15 Ca 0.25 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3ggs h GLU 15 Cb 0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3ggs h GLU 15 CO -0.11 0.47 -0.07 2.35 -1.00 0.00 0.00 179.01 180.65 3ggs h TRP 16 N 0.73 -0.18 0.19 4.33 7.01 -0.41 -0.83 115.95 126.79 3ggs h TRP 16 Ca 0.22 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.23 3ggs h TRP 16 Cb -0.04 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 3ggs h TRP 16 CO -0.05 -0.11 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.21 3ggs h LEU 17 N -0.13 -0.56 -1.36 0.65 3.38 -1.16 -2.55 115.31 113.58 3ggs h LEU 17 Ca 0.03 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.29 3ggs h LEU 17 Cb 0.16 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 3ggs h LEU 17 CO -0.07 -0.30 0.65 -0.07 0.09 0.00 0.00 178.44 178.73 3ggs h LEU 18 N -0.44 0.48 -0.87 1.67 4.07 -0.95 -0.43 115.31 118.84 3ggs h LEU 18 Ca 0.01 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3ggs h LEU 18 Cb 0.42 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.15 3ggs h LEU 18 CO -0.06 0.13 0.00 -1.54 -1.08 0.00 0.00 178.44 175.89 3ggs n SER 19 N -4.61 1.35 0.00 -0.43 3.41 -0.34 -3.87 113.62 109.12 3ggs n SER 19 Ca 0.24 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 3ggs n SER 19 Cb 0.79 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.06 0.00 -4.11 7.33 8.25 -0.26 -4.98 115.22 121.51 3ggs n HIS 20 Ca 0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.50 3ggs n HIS 20 Cb 0.33 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.15 0.35 -0.87 1.59 -1.32 -0.66 -5.01 115.64 109.57 3ggs s THR 21 Ca 0.00 -0.17 0.24 0.00 -1.21 0.00 0.00 61.69 60.54 3ggs s THR 21 Cb 0.00 -0.31 0.22 0.00 -1.51 0.00 0.00 72.50 70.90 3ggs s THR 21 CO 0.00 0.11 1.74 0.29 -2.21 0.00 0.00 174.62 174.55 3ggs n LYS 22 N 3.07 0.08 -2.22 7.08 5.02 -1.26 -4.70 118.16 125.22 3ggs n LYS 22 Ca -0.14 0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 55.96 3ggs n LYS 22 Cb 0.58 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3ggs n LYS 22 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3ggs s HIS 23 N -3.06 2.78 -0.36 2.13 3.76 -1.26 -5.02 115.29 114.25 3ggs s HIS 23 Ca 0.10 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 3ggs s HIS 23 Cb 0.14 -3.39 0.13 0.00 1.11 0.00 0.00 32.58 30.58 3ggs s HIS 23 CO 0.45 -1.62 0.21 1.03 -0.85 0.00 0.00 174.74 173.95 3ggs s ARG 24 N -2.87 0.66 0.49 1.40 1.81 -1.26 -4.94 118.95 114.25 3ggs s ARG 24 Ca 0.67 -1.39 -0.21 0.00 -1.72 0.00 0.00 55.73 53.08 3ggs s ARG 24 Cb -0.28 -1.51 -0.08 0.00 -0.45 0.00 0.00 34.95 32.64 3ggs s ARG 24 CO 0.34 -1.18 1.08 -1.25 -0.68 0.00 0.00 175.30 173.61 3ggs s PRO 25 N 1.03 3.69 -0.19 3.54 0.04 -1.26 -4.77 135.00 137.09 3ggs s PRO 25 Ca 0.17 1.51 0.13 0.00 0.04 0.00 0.00 61.00 62.85 3ggs s PRO 25 Cb -0.23 -2.15 -0.21 0.00 0.04 0.00 0.00 34.50 31.95 3ggs s PRO 25 CO -0.03 -0.55 0.01 0.94 0.04 0.00 0.00 177.00 177.42 3ggs n GLN 26 N -0.92 0.96 -5.00 4.56 7.27 0.46 -3.92 117.38 120.78 3ggs n GLN 26 Ca 0.09 0.02 -0.32 0.00 0.07 0.00 0.00 57.00 56.86 3ggs n GLN 26 Cb 0.51 -1.46 -0.17 0.00 2.41 0.00 0.00 30.24 31.53 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 -2.44 2.00 -0.10 1.69 1.01 -1.00 -0.84 120.40 120.72 3ggs s VAL 27 Ca -0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 3ggs s VAL 27 Cb 0.06 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3ggs s VAL 27 CO 0.70 0.54 0.04 0.00 0.00 0.00 0.00 175.10 176.39 3ggs s ALA 28 N 0.52 3.46 -0.12 5.51 0.00 -0.08 -1.49 121.76 129.56 3ggs s ALA 28 Ca -0.15 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 3ggs s ALA 28 Cb -0.17 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.33 3ggs s ALA 28 CO 0.05 0.57 -0.08 0.42 0.00 0.00 0.00 175.76 176.72 3ggs s ILE 29 N -0.83 1.09 -0.24 0.00 1.01 -0.45 -0.56 121.20 121.21 3ggs s ILE 29 Ca 0.13 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 3ggs s ILE 29 Cb -0.12 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 3ggs s ILE 29 CO 0.03 0.35 0.58 -0.63 0.00 0.00 0.00 174.94 175.27 3ggs s ILE 30 N 1.68 5.03 -0.18 2.92 1.01 -0.50 -0.70 121.20 130.45 3ggs s ILE 30 Ca 0.05 1.05 -0.22 0.00 0.00 0.00 0.00 60.65 61.52 3ggs s ILE 30 Cb -0.13 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 3ggs s ILE 30 CO -0.08 0.07 0.67 0.00 0.00 0.00 0.00 174.94 175.60 3ggs n GLY 32 N 3.64 -1.56 3.70 0.00 0.00 -1.09 -4.28 105.19 105.59 3ggs n GLY 32 Ca -0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -4.58 6.67 0.00 1.61 0.15 -1.26 -1.40 113.70 114.88 3ggs s SER 33 Ca 0.57 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.64 3ggs s SER 33 Cb -0.02 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3ggs s SER 33 CO 0.40 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.63 3ggs n GLY 34 N 3.84 0.89 0.43 9.45 0.00 -1.26 -4.54 105.19 113.99 3ggs n GLY 34 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 2.55 0.30 0.99 4.77 -0.49 -4.66 117.00 120.46 3ggs n LEU 35 Ca 0.00 -1.90 0.18 0.00 -0.03 0.00 0.00 56.01 54.26 3ggs n LEU 35 Cb 0.00 -0.15 0.94 0.00 -2.33 0.00 0.00 43.42 41.88 3ggs n LEU 35 CO 0.00 0.63 1.08 1.23 -1.33 0.00 0.00 177.39 179.00 3ggs h GLY 36 N 1.42 0.00 1.93 -0.72 0.00 -1.89 -2.24 103.07 101.58 3ggs h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ggs h GLY 36 CO 0.00 0.00 0.02 0.61 0.00 0.00 0.00 176.54 177.17 3ggs n GLY 37 N -0.78 -0.55 0.35 4.60 0.00 -1.26 -1.45 105.19 106.09 3ggs n GLY 37 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3ggs n GLY 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ggs h LEU 38 N 0.00 0.53 -2.08 0.99 6.46 -1.78 -2.01 115.31 117.42 3ggs h LEU 38 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3ggs h LEU 38 Cb 0.04 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 3ggs h LEU 38 CO 0.00 0.34 -0.07 0.71 -0.62 0.00 0.00 178.44 178.80 3ggs h THR 39 N 0.60 0.74 0.00 1.05 1.35 -1.51 -0.64 112.91 114.50 3ggs h THR 39 Ca 0.28 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3ggs h THR 39 Cb 0.33 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3ggs h THR 39 CO -0.09 0.07 0.00 0.44 -0.25 0.00 0.00 175.52 175.69 3ggs h ASP 40 N 0.00 0.00 0.35 5.36 3.45 -1.56 -2.96 116.42 121.06 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 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3ggs h ASP 40 CO 0.01 0.00 -0.42 0.29 -1.57 0.00 0.00 179.24 177.55 3ggs n LYS 41 N -2.65 0.39 -2.20 3.56 5.02 -0.25 -4.85 118.16 117.17 3ggs n LYS 41 Ca 0.01 -0.24 -0.36 0.00 -2.02 0.00 0.00 58.31 55.70 3ggs n LYS 41 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.77 3.89 0.20 -0.35 1.43 -1.12 -4.69 118.68 115.27 3ggs s LEU 42 Ca 0.17 2.31 0.10 0.00 -1.03 0.00 0.00 54.13 55.67 3ggs s LEU 42 Cb 0.18 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 3ggs s LEU 42 CO 0.63 -1.11 -0.11 0.42 0.23 0.00 0.00 176.35 176.40 3ggs s THR 43 N -1.60 3.04 -1.44 5.49 -4.23 0.39 -4.68 115.64 112.62 3ggs s THR 43 Ca 0.68 -1.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 3ggs s THR 43 Cb -0.28 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.08 3ggs s THR 43 CO 0.33 -0.17 0.75 0.00 -0.54 0.00 0.00 174.62 174.99 3ggs n GLN 44 N -0.11 -4.68 -2.61 3.99 3.00 -1.26 -1.25 117.38 114.46 3ggs n GLN 44 Ca -0.10 0.55 -0.36 0.00 -0.01 0.00 0.00 57.00 57.08 3ggs n GLN 44 Cb 0.56 -5.16 -0.05 0.00 0.00 0.00 0.00 30.24 25.60 3ggs n GLN 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ggs s ALA 45 N -3.57 3.12 -0.07 -1.58 0.00 -1.26 -4.62 121.76 113.79 3ggs s ALA 45 Ca 0.29 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.92 3ggs s ALA 45 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3ggs s ALA 45 CO 0.84 -0.11 -0.12 -1.14 0.00 0.00 0.00 175.76 175.23 3ggs s GLN 46 N -2.41 1.73 -0.10 0.00 0.74 0.29 -5.00 119.66 114.91 3ggs s GLN 46 Ca 0.56 -0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.51 3ggs s GLN 46 Cb -0.21 -1.42 -0.04 0.00 1.10 0.00 0.00 33.01 32.45 3ggs s GLN 46 CO 0.26 0.03 0.04 0.42 -0.55 0.00 0.00 175.29 175.49 3ggs s ILE 47 N 0.65 4.60 -0.12 -2.34 1.01 -1.26 -1.06 121.20 122.69 3ggs s ILE 47 Ca -0.15 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3ggs s ILE 47 Cb -0.16 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.36 3ggs s ILE 47 CO 0.04 0.59 -0.13 -0.36 0.00 0.00 0.00 174.94 175.08 3ggs s PHE 48 N -0.77 1.87 0.36 3.97 0.08 0.21 -5.00 117.98 118.70 3ggs s PHE 48 Ca 0.12 -0.93 -0.26 0.00 0.12 0.00 0.00 56.93 55.98 3ggs s PHE 48 Cb -0.12 -1.39 -0.09 0.00 -0.57 0.00 0.00 43.02 40.85 3ggs s PHE 48 CO 0.02 -0.52 1.12 -0.51 -0.10 0.00 0.00 175.22 175.24 3ggs s ASP 49 N 1.25 6.81 0.35 1.36 1.01 -1.26 -0.04 116.67 126.15 3ggs s ASP 49 Ca -0.02 2.25 0.10 0.00 0.71 0.00 0.00 52.55 55.59 3ggs s ASP 49 Cb -0.14 -2.61 0.85 0.00 1.01 0.00 0.00 42.92 42.03 3ggs s ASP 49 CO -0.05 -0.47 1.82 1.88 0.21 0.00 0.00 175.17 178.57 3ggs h TYR 50 N 2.96 0.86 0.00 4.23 0.05 -1.75 -0.43 116.97 122.89 3ggs h TYR 50 Ca -0.48 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3ggs h TYR 50 Cb 1.22 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3ggs h TYR 50 CO 0.57 0.24 0.00 0.41 -1.05 0.00 0.00 178.16 178.33 3ggs n GLY 51 N -1.41 -0.54 0.07 3.88 0.00 -1.26 -1.93 105.19 104.00 3ggs n GLY 51 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 3ggs n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ggs n GLU 52 N -1.42 0.69 -3.10 1.61 2.13 -0.17 -4.91 120.64 115.47 3ggs n GLU 52 Ca 0.01 -0.07 -0.40 0.00 0.66 0.00 0.00 57.16 57.36 3ggs n GLU 52 Cb 0.04 -1.52 -0.06 0.00 0.27 0.00 0.00 31.44 30.17 3ggs n GLU 52 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3ggs s ILE 53 N -2.83 5.01 0.62 6.31 1.01 -0.81 -5.03 121.20 125.48 3ggs s ILE 53 Ca -0.09 1.23 -0.18 0.00 0.00 0.00 0.00 60.65 61.60 3ggs s ILE 53 Cb 0.09 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3ggs s ILE 53 CO 0.85 0.11 1.14 -2.65 0.00 0.00 0.00 174.94 174.40 3ggs n PRO 54 N 5.00 1.04 -0.42 2.79 -0.02 -1.26 -2.75 135.00 139.38 3ggs n PRO 54 Ca -0.01 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3ggs n PRO 54 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.33 0.00 -4.74 2.55 3.02 -1.26 -4.73 115.26 108.76 3ggs n ASN 55 Ca 0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 3ggs n ASN 55 Cb 0.48 -1.68 -0.04 0.00 -0.61 0.00 0.00 39.78 37.93 3ggs n ASN 55 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ggs s PHE 56 N -1.63 3.46 0.22 3.10 5.36 -1.11 -4.93 117.98 122.45 3ggs s PHE 56 Ca 0.00 1.48 -0.32 0.00 -0.96 0.00 0.00 56.93 57.13 3ggs s PHE 56 Cb 0.00 -3.40 -0.13 0.00 -0.34 0.00 0.00 43.02 39.15 3ggs s PHE 56 CO 0.00 -1.06 1.50 -2.30 -1.46 0.00 0.00 175.22 171.90 3ggs n PRO 57 N 2.30 2.18 -2.52 10.12 -0.02 -1.26 -4.95 135.00 140.85 3ggs n PRO 57 Ca 0.03 0.78 -0.39 0.00 -2.02 0.00 0.00 63.50 61.91 3ggs n PRO 57 Cb 0.45 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 3ggs n PRO 57 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ggs s ARG 58 N 0.06 4.43 0.03 -0.52 0.52 -1.26 -4.91 118.95 117.30 3ggs s ARG 58 Ca 0.71 1.66 -0.30 0.00 -0.52 0.00 0.00 55.73 57.28 3ggs s ARG 58 Cb -0.64 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 3ggs s ARG 58 CO 0.45 0.06 0.99 -1.12 0.02 0.00 0.00 175.30 175.71 3ggs s SER 59 N -1.20 7.38 0.00 0.23 0.01 -1.26 -4.91 113.70 113.94 3ggs s SER 59 Ca 0.50 1.72 0.12 0.00 1.31 0.00 0.00 55.95 59.61 3ggs s SER 59 Cb -0.27 -2.58 0.32 0.00 0.21 0.00 0.00 66.02 63.70 3ggs s SER 59 CO 0.35 -0.23 1.24 0.35 0.41 0.00 0.00 173.24 175.36 3ggs n THR 60 N 3.62 0.88 -4.05 1.44 -2.24 -1.26 -5.05 114.28 107.62 3ggs n THR 60 Ca 0.05 -0.94 -0.27 0.00 -2.27 0.00 0.00 64.05 60.62 3ggs n THR 60 Cb 0.50 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 3ggs n THR 60 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ggs s VAL 61 N -1.01 4.65 0.38 2.28 1.01 -1.26 -5.09 120.40 121.36 3ggs s VAL 61 Ca 0.25 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 3ggs s VAL 61 Cb 0.13 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 3ggs s VAL 61 CO 0.18 -0.05 1.32 -2.84 0.00 0.00 0.00 175.10 173.70 3ggs s PRO 62 N -2.97 4.11 0.00 2.72 0.02 -1.26 -4.81 135.00 132.81 3ggs s PRO 62 Ca 0.31 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3ggs s PRO 62 Cb -0.11 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3ggs s PRO 62 CO 0.24 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 3ggs n GLY 63 N 0.69 0.57 3.78 0.52 0.00 -1.26 -5.02 105.19 104.48 3ggs n GLY 63 Ca 0.02 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 3ggs n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ggs s HIS 64 N -1.08 2.74 0.55 1.61 3.76 -1.26 -4.92 115.29 116.69 3ggs s HIS 64 Ca 0.00 1.54 0.27 0.00 -0.15 0.00 0.00 55.06 56.72 3ggs s HIS 64 Cb 0.00 -3.12 1.45 0.00 1.11 0.00 0.00 32.58 32.02 3ggs s HIS 64 CO 0.00 -1.50 1.98 0.00 -0.85 0.00 0.00 174.74 174.37 3ggs h ALA 65 N 0.21 2.40 0.00 -1.40 0.00 -1.95 -3.48 119.26 115.04 3ggs h ALA 65 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ggs h ALA 65 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ggs h ALA 65 CO 0.55 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.55 3ggs n GLY 66 N -1.60 0.72 3.57 0.00 0.00 -1.26 -4.81 105.19 101.82 3ggs n GLY 66 Ca 0.09 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 3ggs n GLY 66 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ggs s ARG 67 N -2.20 1.40 -0.22 1.61 1.70 -0.63 -2.11 118.95 118.50 3ggs s ARG 67 Ca 0.00 -0.62 -0.03 0.00 -0.47 0.00 0.00 55.73 54.61 3ggs s ARG 67 Cb 0.00 0.57 -0.00 0.00 -0.57 0.00 0.00 34.95 34.95 3ggs s ARG 67 CO 0.00 -0.62 -0.07 -1.17 -1.08 0.00 0.00 175.30 172.36 3ggs s LEU 68 N -2.79 2.80 -0.28 -1.89 2.96 0.95 -1.22 118.68 119.22 3ggs s LEU 68 Ca 0.05 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 3ggs s LEU 68 Cb -0.03 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 45.02 3ggs s LEU 68 CO -0.06 -0.03 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.20 3ggs s VAL 69 N 1.44 2.64 0.21 1.68 1.01 0.27 -0.62 120.40 127.03 3ggs s VAL 69 Ca 0.05 -1.45 -0.22 0.00 0.00 0.00 0.00 61.98 60.36 3ggs s VAL 69 Cb -0.14 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 3ggs s VAL 69 CO -0.05 -0.05 0.76 -0.36 0.00 0.00 0.00 175.10 175.41 3ggs s PHE 70 N 1.20 3.76 0.00 5.22 0.40 -0.22 -0.79 117.98 127.55 3ggs s PHE 70 Ca -0.06 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 3ggs s PHE 70 Cb -0.20 -2.70 0.00 0.00 0.51 0.00 0.00 43.02 40.63 3ggs s PHE 70 CO -0.03 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.70 3ggs n GLY 71 N 1.08 0.54 3.40 4.36 0.00 -0.12 -0.54 105.19 113.91 3ggs n GLY 71 Ca -0.03 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.26 2.69 -0.28 1.61 0.08 -0.38 -0.89 117.98 118.54 3ggs s PHE 72 Ca 0.00 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.62 3ggs s PHE 72 Cb 0.00 -1.70 0.07 0.00 -0.57 0.00 0.00 43.02 40.82 3ggs s PHE 72 CO 0.00 -0.04 -0.04 -1.17 -0.10 0.00 0.00 175.22 173.87 3ggs s LEU 73 N -0.22 3.66 -1.21 -0.37 2.96 -0.35 -0.46 118.68 122.69 3ggs s LEU 73 Ca 0.00 -1.61 -0.01 0.00 -0.22 0.00 0.00 54.13 52.29 3ggs s LEU 73 Cb -0.13 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.08 3ggs s LEU 73 CO 0.03 -0.27 0.04 0.59 -1.32 0.00 0.00 176.35 175.43 3ggs n ASN 74 N 4.43 -4.30 0.00 3.68 4.13 -1.26 -2.16 115.26 119.77 3ggs n ASN 74 Ca -0.07 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.30 3ggs n ASN 74 Cb 0.42 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 35.03 3ggs n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ggs n GLY 75 N -0.88 2.64 3.73 7.41 0.00 -1.26 -4.84 105.19 111.98 3ggs n GLY 75 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.79 4.67 -0.30 1.61 1.81 -0.92 -4.95 118.95 120.07 3ggs s ARG 76 Ca 0.00 1.44 -0.28 0.00 -1.72 0.00 0.00 55.73 55.17 3ggs s ARG 76 Cb 0.00 -3.39 -0.03 0.00 -0.45 0.00 0.00 34.95 31.08 3ggs s ARG 76 CO 0.00 0.17 1.90 0.00 -0.68 0.00 0.00 175.30 176.69 3ggs s ALA 77 N 0.17 2.83 0.07 2.13 0.00 -1.26 -1.22 121.76 124.49 3ggs s ALA 77 Ca 0.48 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.90 3ggs s ALA 77 Cb -0.23 -4.03 -0.03 0.00 0.00 0.00 0.00 23.12 18.83 3ggs s ALA 77 CO 0.29 -2.67 -0.21 0.00 0.00 0.00 0.00 175.76 173.17 3ggs s VAL 79 N -0.97 2.96 -0.02 0.00 0.11 -0.56 -0.94 120.40 120.98 3ggs s VAL 79 Ca 0.07 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 3ggs s VAL 79 Cb -0.09 -2.17 -0.01 0.00 -1.53 0.00 0.00 36.38 32.58 3ggs s VAL 79 CO 0.03 0.58 -0.15 -0.32 -3.33 0.00 0.00 175.10 171.90 3ggs s MET 80 N -0.49 1.37 -0.29 1.54 1.75 0.03 -1.34 119.30 121.86 3ggs s MET 80 Ca 0.06 -0.55 -0.05 0.00 -1.25 0.00 0.00 55.69 53.91 3ggs s MET 80 Cb -0.12 -1.28 0.02 0.00 2.84 0.00 0.00 34.83 36.29 3ggs s MET 80 CO 0.02 0.29 0.04 1.41 -0.65 0.00 0.00 175.02 176.13 3ggs s MET 81 N -0.21 2.91 -0.37 4.11 1.75 0.12 -0.57 119.30 127.05 3ggs s MET 81 Ca 0.03 -0.96 -0.09 0.00 -1.25 0.00 0.00 55.69 53.41 3ggs s MET 81 Cb -0.08 -3.27 0.04 0.00 2.84 0.00 0.00 34.83 34.36 3ggs s MET 81 CO 0.00 -0.48 0.17 -1.14 -0.65 0.00 0.00 175.02 172.92 3ggs s GLN 82 N 1.42 2.70 0.00 4.11 0.74 -0.35 -1.28 119.66 127.00 3ggs s GLN 82 Ca 0.01 -1.18 0.00 0.00 0.05 0.00 0.00 55.36 54.24 3ggs s GLN 82 Cb -0.18 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.31 3ggs s GLN 82 CO 0.01 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 3ggs n GLY 83 N 4.91 -0.90 3.89 2.59 0.00 -1.26 -1.61 105.19 112.81 3ggs n GLY 83 Ca -0.12 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.04 3.59 0.12 1.61 1.70 -1.26 -4.73 118.95 119.94 3ggs s ARG 84 Ca 0.00 0.34 -0.22 0.00 -0.47 0.00 0.00 55.73 55.39 3ggs s ARG 84 Cb 0.00 -2.32 -0.07 0.00 -0.57 0.00 0.00 34.95 31.98 3ggs s ARG 84 CO 0.00 -0.25 0.66 -0.06 -1.08 0.00 0.00 175.30 174.57 3ggs s PHE 85 N -2.76 3.84 0.17 5.89 0.08 -1.26 -5.09 117.98 118.85 3ggs s PHE 85 Ca 0.49 1.42 0.10 0.00 0.12 0.00 0.00 56.93 59.06 3ggs s PHE 85 Cb -0.10 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.70 3ggs s PHE 85 CO 0.44 0.55 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.93 3ggs s HIS 86 N -1.15 2.48 0.09 0.36 3.76 -1.26 -4.86 115.29 114.70 3ggs s HIS 86 Ca 0.32 -0.29 -0.20 0.00 -0.15 0.00 0.00 55.06 54.75 3ggs s HIS 86 Cb -0.21 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.16 3ggs s HIS 86 CO 0.22 0.48 1.60 1.98 -0.85 0.00 0.00 174.74 178.16 3ggs h MET 87 N 3.21 0.34 -0.01 1.40 4.05 -1.80 -2.88 114.93 119.24 3ggs h MET 87 Ca -0.47 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 3ggs h MET 87 Cb 1.20 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3ggs h MET 87 CO 0.50 0.43 0.18 0.10 0.23 0.00 0.00 176.91 178.35 3ggs h TYR 88 N 0.17 0.00 -0.01 1.39 -0.00 -1.86 0.38 116.97 117.05 3ggs h TYR 88 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.80 3ggs h TYR 88 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.97 3ggs h TYR 88 CO 0.00 0.00 -0.00 0.39 -0.00 0.00 0.00 178.16 178.55 3ggs n GLU 89 N -3.02 1.20 -0.46 0.10 1.02 -1.09 -4.80 120.64 113.59 3ggs n GLU 89 Ca -0.02 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 3ggs n GLU 89 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.07 0.73 3.73 0.62 0.00 0.13 -5.04 105.19 106.43 3ggs n GLY 90 Ca 0.22 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 3.58 0.43 1.61 2.02 -1.22 -5.06 117.35 116.70 3ggs s TYR 91 Ca 0.00 1.14 -0.25 0.00 -0.37 0.00 0.00 57.07 57.59 3ggs s TYR 91 Cb 0.00 -2.70 -0.08 0.00 -0.40 0.00 0.00 41.96 38.78 3ggs s TYR 91 CO 0.00 0.16 1.31 -1.25 -1.57 0.00 0.00 175.55 174.20 3ggs s PRO 92 N 0.57 3.86 0.49 -1.71 0.05 -1.26 -4.43 135.00 132.57 3ggs s PRO 92 Ca 0.33 2.16 0.30 0.00 0.05 0.00 0.00 61.00 63.84 3ggs s PRO 92 Cb -0.17 -2.68 1.39 0.00 0.05 0.00 0.00 34.50 33.09 3ggs s PRO 92 CO 0.16 -0.59 1.78 -0.07 0.05 0.00 0.00 177.00 178.33 3ggs h LEU 93 N 2.50 0.17 -1.61 -3.56 3.38 -1.97 0.25 115.31 114.47 3ggs h LEU 93 Ca -0.50 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 3ggs h LEU 93 Cb 1.25 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3ggs h LEU 93 CO 0.62 0.02 -0.17 4.11 0.09 0.00 0.00 178.44 183.10 3ggs h TRP 94 N 0.14 0.00 0.09 1.13 5.08 -1.90 -1.12 115.95 119.38 3ggs h TRP 94 Ca 0.60 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 60.43 3ggs h TRP 94 Cb 2.05 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 28.22 3ggs h TRP 94 CO -0.00 0.17 -0.62 0.87 -1.28 0.00 0.00 178.44 177.58 3ggs h LYS 95 N 0.00 0.20 -0.65 0.12 1.57 -0.90 -3.16 116.57 113.75 3ggs h LYS 95 Ca -0.00 -0.34 0.14 0.00 -1.87 0.00 0.00 60.65 58.58 3ggs h LYS 95 Cb 0.49 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 32.81 3ggs h LYS 95 CO 0.02 1.16 -0.04 0.28 -0.57 0.00 0.00 179.45 180.30 3ggs h VAL 96 N -0.58 0.43 -0.00 0.50 2.07 -0.94 -2.96 116.25 114.77 3ggs h VAL 96 Ca -0.12 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3ggs h VAL 96 Cb 1.45 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3ggs h VAL 96 CO 0.09 0.01 -0.39 0.35 0.02 0.00 0.00 177.57 177.65 3ggs n THR 97 N -5.34 0.00 -0.27 2.57 -2.24 -0.45 -4.31 114.28 104.24 3ggs n THR 97 Ca 0.09 -0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 3ggs n THR 97 Cb 0.37 0.42 0.16 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.78 -0.14 -0.76 4.78 3.57 -1.48 -0.89 116.94 122.81 3ggs h PHE 98 Ca 0.00 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3ggs h PHE 98 Cb 0.52 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 3ggs h PHE 98 CO 0.00 -0.29 0.50 -1.35 -2.23 0.00 0.00 178.31 174.94 3ggs h PRO 99 N 0.07 0.65 -0.50 6.41 0.11 -1.81 -2.40 132.00 134.52 3ggs h PRO 99 Ca 0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3ggs h PRO 99 Cb 0.75 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3ggs h PRO 99 CO -0.73 0.43 0.33 0.28 -0.21 0.00 0.00 178.00 178.09 3ggs h VAL 100 N 0.67 1.13 -0.45 3.15 2.07 -1.47 0.27 116.25 121.62 3ggs h VAL 100 Ca 0.35 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 3ggs h VAL 100 Cb 0.46 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3ggs h VAL 100 CO -0.13 0.13 0.13 0.03 0.02 0.00 0.00 177.57 177.75 3ggs h ARG 101 N 0.68 0.66 -0.43 1.57 3.08 -1.46 -2.27 114.38 116.21 3ggs h ARG 101 Ca 0.18 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3ggs h ARG 101 Cb -0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3ggs h ARG 101 CO -0.04 0.59 -0.24 0.28 -1.07 0.00 0.00 179.97 179.49 3ggs h VAL 102 N 0.65 1.27 -0.34 2.04 2.07 -0.96 -1.98 116.25 119.00 3ggs h VAL 102 Ca 0.15 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.31 3ggs h VAL 102 Cb 0.21 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3ggs h VAL 102 CO -0.01 0.47 0.14 -0.26 0.02 0.00 0.00 177.57 177.93 3ggs h PHE 103 N 0.76 0.25 -0.13 1.57 0.04 -0.67 0.47 116.94 119.24 3ggs h PHE 103 Ca 0.10 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.93 3ggs h PHE 103 Cb 0.79 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.83 3ggs h PHE 103 CO 0.05 0.12 -0.18 1.25 -0.60 0.00 0.00 178.31 178.95 3ggs h HIS 104 N 0.29 -0.46 0.00 -0.55 -0.00 -1.14 -0.50 115.15 112.80 3ggs h HIS 104 Ca 0.15 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 3ggs h HIS 104 Cb 0.10 0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 3ggs h HIS 104 CO -0.13 -0.25 -0.19 -0.07 -0.00 0.00 0.00 177.93 177.30 3ggs h LEU 105 N -0.22 0.00 -2.27 0.26 3.38 -0.86 0.11 115.31 115.70 3ggs h LEU 105 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ggs h LEU 105 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ggs h LEU 105 CO -0.26 0.19 -0.04 -0.07 0.09 0.00 0.00 178.44 178.35 3ggs h LEU 106 N 0.00 0.00 0.00 1.67 4.07 0.15 -3.47 115.31 117.74 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 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3ggs h LEU 106 CO 0.02 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 3ggs n GLY 107 N -1.15 1.13 3.76 0.83 0.00 0.38 -4.79 105.19 105.35 3ggs n GLY 107 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 2.84 -0.45 1.61 1.01 -0.71 -4.72 120.40 117.98 3ggs s VAL 108 Ca 0.00 0.78 0.05 0.00 0.00 0.00 0.00 61.98 62.81 3ggs s VAL 108 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3ggs s VAL 108 CO 0.00 0.16 0.43 -0.90 0.00 0.00 0.00 175.10 174.79 3ggs n ASP 109 N 1.45 0.81 -3.90 3.32 5.68 -0.02 -4.47 116.55 119.42 3ggs n ASP 109 Ca 0.02 -0.91 -0.17 0.00 -0.50 0.00 0.00 54.79 53.24 3ggs n ASP 109 Cb 0.42 0.52 -0.15 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.98 0.35 -0.16 2.12 2.01 -1.06 -0.49 115.64 117.43 3ggs s THR 110 Ca 0.04 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3ggs s THR 110 Cb 0.04 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.21 3ggs s THR 110 CO 0.14 0.14 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.78 3ggs s LEU 111 N 0.41 2.12 -0.12 4.42 2.96 0.22 -0.90 118.68 127.79 3ggs s LEU 111 Ca -0.04 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 3ggs s LEU 111 Cb -0.08 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3ggs s LEU 111 CO -0.00 0.05 0.04 0.68 -1.32 0.00 0.00 176.35 175.79 3ggs s VAL 112 N 1.01 4.62 -0.09 1.68 -7.23 0.27 -2.22 120.40 118.44 3ggs s VAL 112 Ca -0.02 -0.12 0.04 0.00 -1.81 0.00 0.00 61.98 60.07 3ggs s VAL 112 Cb -0.14 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 3ggs s VAL 112 CO -0.06 0.56 -0.23 0.68 -0.31 0.00 0.00 175.10 175.73 3ggs s VAL 113 N -0.45 2.18 0.10 1.32 -7.23 -0.68 -1.42 120.40 114.23 3ggs s VAL 113 Ca 0.09 -0.99 0.10 0.00 -1.81 0.00 0.00 61.98 59.37 3ggs s VAL 113 Cb -0.12 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 3ggs s VAL 113 CO 0.02 0.56 -0.25 0.42 -0.31 0.00 0.00 175.10 175.54 3ggs s THR 114 N 0.16 2.09 0.21 5.32 -4.23 -0.72 -1.05 115.64 117.43 3ggs s THR 114 Ca -0.13 -1.59 -0.17 0.00 -1.18 0.00 0.00 61.69 58.63 3ggs s THR 114 Cb -0.16 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.86 3ggs s THR 114 CO 0.07 0.15 0.53 0.54 -0.54 0.00 0.00 174.62 175.36 3ggs s ASN 115 N -1.75 -0.23 0.06 3.99 2.20 -0.80 -2.67 114.94 115.74 3ggs s ASN 115 Ca 0.12 -0.56 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 3ggs s ASN 115 Cb -0.10 0.59 -0.05 0.00 -2.00 0.00 0.00 41.25 39.69 3ggs s ASN 115 CO 0.04 -1.08 0.27 0.00 -2.94 0.00 0.00 177.10 173.39 3ggs s ALA 116 N -3.90 3.90 -0.00 3.54 0.00 -1.26 0.09 121.76 124.13 3ggs s ALA 116 Ca 0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 3ggs s ALA 116 Cb -0.01 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.16 3ggs s ALA 116 CO -0.00 0.73 0.37 0.00 0.00 0.00 0.00 175.76 176.85 3ggs s ALA 117 N -1.46 -0.92 0.17 0.00 0.00 0.67 -4.75 121.76 115.46 3ggs s ALA 117 Ca 0.33 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3ggs s ALA 117 Cb -0.13 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 3ggs s ALA 117 CO 0.22 -0.32 0.92 0.20 0.00 0.00 0.00 175.76 176.79 3ggs s GLY 118 N -1.50 3.03 -0.08 0.00 0.00 0.04 -1.21 107.32 107.60 3ggs s GLY 118 Ca -0.11 0.56 -0.28 0.00 0.00 0.00 0.00 44.72 44.89 3ggs s GLY 118 CO 0.03 1.27 0.91 -0.32 0.00 0.00 0.00 173.10 174.99 3ggs s GLY 119 N -0.61 2.51 0.08 0.20 0.00 0.07 -0.70 107.32 108.88 3ggs s GLY 119 Ca 0.43 0.31 0.22 0.00 0.00 0.00 0.00 44.72 45.68 3ggs s GLY 119 CO 0.30 1.67 0.81 1.04 0.00 0.00 0.00 173.10 176.92 3ggs n LEU 120 N 4.52 0.47 -4.54 0.66 4.77 -0.51 -1.95 117.00 120.41 3ggs n LEU 120 Ca 0.05 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.73 3ggs n LEU 120 Cb 0.50 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3ggs n LEU 120 CO 0.50 -0.07 0.55 0.21 -1.33 0.00 0.00 177.39 177.25 3ggs s ASN 121 N -4.77 6.42 0.12 -1.43 3.84 -0.95 -4.94 114.94 113.23 3ggs s ASN 121 Ca -0.03 -0.08 -0.03 0.00 0.21 0.00 0.00 52.86 52.94 3ggs s ASN 121 Cb 0.12 -2.38 0.22 0.00 -0.55 0.00 0.00 41.25 38.66 3ggs s ASN 121 CO 0.84 -0.88 0.66 -2.65 -2.79 0.00 0.00 177.10 172.29 3ggs n PRO 122 N 6.63 -0.04 -0.14 0.43 -0.02 -1.26 0.95 135.00 141.56 3ggs n PRO 122 Ca 0.02 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.26 3ggs n PRO 122 Cb 0.48 -1.00 0.44 0.00 -0.02 0.00 0.00 33.50 33.40 3ggs n PRO 122 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ggs h LYS 123 N 0.00 0.54 -6.78 -0.52 6.56 -2.00 -3.43 116.57 110.95 3ggs h LYS 123 Ca 0.21 -0.03 -0.52 0.00 -1.06 0.00 0.00 60.65 59.25 3ggs h LYS 123 Cb 0.35 -0.12 0.04 0.00 -0.57 0.00 0.00 32.23 31.93 3ggs h LYS 123 CO -0.43 0.36 0.60 -0.06 -2.06 0.00 0.00 179.45 177.86 3ggs s PHE 124 N -5.52 3.27 0.27 -1.35 0.40 0.27 -5.04 117.98 110.28 3ggs s PHE 124 Ca -0.09 1.41 0.12 0.00 -0.60 0.00 0.00 56.93 57.77 3ggs s PHE 124 Cb 0.20 -3.55 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 3ggs s PHE 124 CO 0.76 -1.52 -0.20 -1.21 0.70 0.00 0.00 175.22 173.75 3ggs s GLU 125 N -0.99 1.65 0.21 0.44 2.02 -1.26 -4.92 118.70 115.85 3ggs s GLU 125 Ca 0.51 -1.75 -0.32 0.00 0.02 0.00 0.00 54.97 53.43 3ggs s GLU 125 Cb -0.36 -1.73 -0.13 0.00 0.10 0.00 0.00 34.13 32.01 3ggs s GLU 125 CO 0.44 0.32 1.62 1.55 0.02 0.00 0.00 175.26 179.21 3ggs n VAL 126 N -0.56 0.30 0.00 2.63 3.14 -1.26 -1.71 118.33 120.87 3ggs n VAL 126 Ca -0.06 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 3ggs n VAL 126 Cb 0.60 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 3ggs n VAL 126 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ggs n GLY 127 N 3.24 3.06 3.61 7.55 0.00 0.31 -5.03 105.19 117.94 3ggs n GLY 127 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 0.60 -4.53 1.61 8.00 -0.70 -4.74 116.55 116.78 3ggs n ASP 128 Ca 0.00 0.76 -0.34 0.00 0.71 0.00 0.00 54.79 55.92 3ggs n ASP 128 Cb 0.00 -1.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.60 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 -1.60 4.10 -0.22 0.53 1.01 -1.26 -1.52 121.20 122.24 3ggs s ILE 129 Ca 0.76 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 3ggs s ILE 129 Cb -0.39 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3ggs s ILE 129 CO 0.48 0.49 0.04 -0.32 0.00 0.00 0.00 174.94 175.63 3ggs s MET 130 N 0.31 3.69 -0.15 2.79 1.75 0.69 -1.86 119.30 126.53 3ggs s MET 130 Ca -0.02 -0.47 -0.29 0.00 -1.25 0.00 0.00 55.69 53.65 3ggs s MET 130 Cb -0.14 -3.20 -0.03 0.00 2.84 0.00 0.00 34.83 34.30 3ggs s MET 130 CO 0.02 -0.03 1.49 -1.17 -0.65 0.00 0.00 175.02 174.69 3ggs s LEU 131 N 1.15 4.13 -0.33 4.11 0.20 0.35 -0.80 118.68 127.49 3ggs s LEU 131 Ca 0.04 1.82 -0.29 0.00 0.69 0.00 0.00 54.13 56.39 3ggs s LEU 131 Cb -0.14 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.07 3ggs s LEU 131 CO 0.02 -0.97 1.57 -0.63 -0.29 0.00 0.00 176.35 176.05 3ggs s ILE 132 N 4.19 3.75 -0.03 6.68 1.01 -0.53 -2.13 121.20 134.13 3ggs s ILE 132 Ca 0.65 0.79 0.05 0.00 0.00 0.00 0.00 60.65 62.15 3ggs s ILE 132 Cb -0.26 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.06 3ggs s ILE 132 CO 0.24 -0.50 0.70 -0.09 0.00 0.00 0.00 174.94 175.28 3ggs h ARG 133 N 11.20 0.10 -1.95 2.79 9.65 -1.65 -3.43 114.38 131.09 3ggs h ARG 133 Ca -0.31 -0.17 0.19 0.00 -1.10 0.00 0.00 59.98 58.60 3ggs h ARG 133 Cb 1.14 0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 29.63 3ggs h ARG 133 CO 1.04 0.80 0.63 0.34 2.80 0.00 0.00 179.97 185.58 3ggs s ASP 134 N -6.50 -0.22 0.23 -3.80 -1.08 -1.25 -4.56 116.67 99.49 3ggs s ASP 134 Ca -0.08 -0.09 0.03 0.00 -0.52 0.00 0.00 52.55 51.88 3ggs s ASP 134 Cb 0.08 0.30 -0.05 0.00 -1.46 0.00 0.00 42.92 41.79 3ggs s ASP 134 CO 0.82 -0.52 0.02 -1.38 0.52 0.00 0.00 175.17 174.63 3ggs s HIS 135 N -2.85 1.53 -0.14 -5.34 -3.43 -1.26 -1.59 115.29 102.21 3ggs s HIS 135 Ca 0.09 -0.98 0.00 0.00 -0.80 0.00 0.00 55.06 53.37 3ggs s HIS 135 Cb -0.00 -0.89 0.03 0.00 -1.43 0.00 0.00 32.58 30.28 3ggs s HIS 135 CO -0.05 -0.11 -0.12 0.42 -2.00 0.00 0.00 174.74 172.89 3ggs s ILE 136 N -3.50 1.40 -0.87 -5.38 1.01 -0.43 -4.93 121.20 108.50 3ggs s ILE 136 Ca 0.30 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 3ggs s ILE 136 Cb 0.06 -1.36 0.22 0.00 0.01 0.00 0.00 42.46 41.39 3ggs s ILE 136 CO 0.09 0.40 0.77 0.21 0.00 0.00 0.00 174.94 176.42 3ggs s ASN 137 N 1.55 6.24 0.05 3.58 2.47 -1.26 -1.93 114.94 125.64 3ggs s ASN 137 Ca 0.04 -3.33 -0.26 0.00 0.42 0.00 0.00 52.86 49.74 3ggs s ASN 137 Cb -0.13 -2.01 -0.17 0.00 -1.45 0.00 0.00 41.25 37.49 3ggs s ASN 137 CO -0.10 -0.31 1.50 -0.07 -3.72 0.00 0.00 177.10 174.40 3ggs h LEU 138 N 6.68 -0.22 -1.70 3.21 4.07 -1.95 -0.90 115.31 124.50 3ggs h LEU 138 Ca 0.12 -0.13 0.24 0.00 0.08 0.00 0.00 57.88 58.19 3ggs h LEU 138 Cb 0.90 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.64 3ggs h LEU 138 CO 0.84 -0.00 0.64 -0.65 -1.08 0.00 0.00 178.44 178.18 3ggs h PRO 139 N -0.44 0.22 0.21 1.13 0.11 -1.81 -2.11 132.00 129.31 3ggs h PRO 139 Ca -0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3ggs h PRO 139 Cb 0.34 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3ggs h PRO 139 CO 0.04 0.15 -0.17 0.78 -0.21 0.00 0.00 178.00 178.59 3ggs h GLY 140 N 0.23 -0.39 -0.19 -0.55 0.00 0.16 0.22 103.07 102.55 3ggs h GLY 140 Ca 0.48 0.19 0.26 0.00 0.00 0.00 0.00 47.33 48.26 3ggs h GLY 140 CO -0.12 -0.17 0.62 0.74 0.00 0.00 0.00 176.54 177.61 3ggs h PHE 141 N -0.39 0.91 -0.29 5.60 0.04 -0.63 -2.54 116.94 119.64 3ggs h PHE 141 Ca -0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3ggs h PHE 141 Cb 0.35 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3ggs h PHE 141 CO -0.12 0.04 0.00 0.43 -0.60 0.00 0.00 178.31 178.06 3ggs n SER 142 N -4.82 3.11 0.00 2.17 7.64 -1.06 -4.91 113.62 115.74 3ggs n SER 142 Ca 0.27 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.20 3ggs n SER 142 Cb 0.81 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 1.43 1.54 3.41 0.23 0.00 -0.96 -5.06 105.19 105.78 3ggs n GLY 143 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 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 3.66 -0.08 1.61 -1.52 0.74 -4.93 119.66 119.13 3ggs s GLN 144 Ca 0.00 -2.12 -0.04 0.00 -1.95 0.00 0.00 55.36 51.25 3ggs s GLN 144 Cb 0.00 -4.74 0.04 0.00 -0.22 0.00 0.00 33.01 28.09 3ggs s GLN 144 CO 0.00 -1.58 0.18 1.21 -0.25 0.00 0.00 175.29 174.85 3ggs s ASN 145 N 2.98 -0.08 0.44 5.90 3.84 -1.26 -1.29 114.94 125.47 3ggs s ASN 145 Ca 0.28 0.39 0.30 0.00 0.21 0.00 0.00 52.86 54.04 3ggs s ASN 145 Cb -0.07 0.29 1.52 0.00 -0.55 0.00 0.00 41.25 42.44 3ggs s ASN 145 CO -0.09 -0.17 1.92 1.55 -2.79 0.00 0.00 177.10 177.53 3ggs h PRO 146 N 7.36 0.00 -0.00 0.43 0.13 -1.90 -2.27 132.00 135.75 3ggs h PRO 146 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3ggs h PRO 146 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ggs h PRO 146 CO 0.37 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 3ggs n LEU 147 N -2.61 0.21 -4.76 1.56 4.32 -1.26 -4.71 117.00 109.74 3ggs n LEU 147 Ca -0.01 -0.07 -0.41 0.00 -0.02 0.00 0.00 56.01 55.50 3ggs n LEU 147 Cb 0.13 -0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.91 3ggs n LEU 147 CO 0.17 0.04 1.07 -0.60 -1.22 0.00 0.00 177.39 176.84 3ggs s ARG 148 N -2.00 4.26 0.00 3.23 3.00 -0.86 -4.73 118.95 121.85 3ggs s ARG 148 Ca 0.45 2.35 0.00 0.00 -1.00 0.00 0.00 55.73 57.53 3ggs s ARG 148 Cb 0.21 -3.05 0.00 0.00 0.00 0.00 0.00 34.95 32.11 3ggs s ARG 148 CO 0.35 -0.36 0.00 0.41 0.00 0.00 0.00 175.30 175.70 3ggs n GLY 149 N 1.13 -2.49 3.76 8.12 0.00 -1.26 -4.37 105.19 110.09 3ggs n GLY 149 Ca 0.02 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 3ggs n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ggs s PRO 150 N -0.63 4.15 0.34 1.61 0.04 -1.26 -4.97 135.00 134.28 3ggs s PRO 150 Ca 0.00 2.53 -0.21 0.00 0.04 0.00 0.00 61.00 63.36 3ggs s PRO 150 Cb 0.00 -3.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.43 3ggs s PRO 150 CO 0.00 -0.55 0.86 1.21 0.04 0.00 0.00 177.00 178.55 3ggs s ASN 151 N 0.22 7.02 -0.31 6.66 2.47 -1.26 -5.05 114.94 124.69 3ggs s ASN 151 Ca 0.59 1.58 -0.03 0.00 0.42 0.00 0.00 52.86 55.42 3ggs s ASN 151 Cb -0.46 -2.49 0.05 0.00 -1.45 0.00 0.00 41.25 36.89 3ggs s ASN 151 CO 0.53 -0.18 0.03 -0.62 -3.72 0.00 0.00 177.10 173.13 3ggs s ASP 152 N -1.96 5.00 0.35 -4.21 -1.08 -1.26 -4.98 116.67 108.53 3ggs s ASP 152 Ca 0.54 -1.23 0.25 0.00 -0.52 0.00 0.00 52.55 51.60 3ggs s ASP 152 Cb -0.13 -1.76 1.23 0.00 -1.46 0.00 0.00 42.92 40.80 3ggs s ASP 152 CO 0.18 -0.28 1.77 -0.08 0.52 0.00 0.00 175.17 177.29 3ggs h GLU 153 N 8.06 0.00 0.00 4.34 4.57 -1.96 0.88 114.58 130.47 3ggs h GLU 153 Ca -0.22 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 3ggs h GLU 153 Cb 1.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3ggs h GLU 153 CO 0.55 0.00 -0.06 0.00 -1.18 0.00 0.00 179.01 178.33 3ggs h ARG 154 N 0.00 0.00 0.01 1.92 3.08 -2.02 -3.25 114.38 114.12 3ggs h ARG 154 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.65 3ggs h ARG 154 Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 3ggs h ARG 154 CO 0.00 0.06 -2.30 1.19 -1.07 0.00 0.00 179.97 177.84 3ggs n PHE 155 N -3.27 0.26 -3.09 3.04 3.72 0.26 -5.10 117.46 113.27 3ggs n PHE 155 Ca -0.01 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3ggs n PHE 155 Cb 0.24 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.75 3ggs n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ggs n GLY 156 N 1.63 0.69 3.92 1.37 0.00 -0.92 -3.94 105.19 107.94 3ggs n GLY 156 Ca -0.47 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 1.70 5.66 0.10 1.61 1.01 -1.26 -3.81 116.67 121.69 3ggs s ASP 157 Ca 0.00 0.75 -0.31 0.00 0.71 0.00 0.00 52.55 53.70 3ggs s ASP 157 Cb 0.00 -1.77 -0.12 0.00 1.01 0.00 0.00 42.92 42.04 3ggs s ASP 157 CO 0.00 -1.02 1.61 0.03 0.21 0.00 0.00 175.17 176.00 3ggs h ARG 158 N -0.14 -0.68 -2.80 8.23 2.47 -1.96 -3.37 114.38 116.12 3ggs h ARG 158 Ca -0.45 0.05 -0.64 0.00 -1.26 0.00 0.00 59.98 57.67 3ggs h ARG 158 Cb 1.25 0.15 -0.40 0.00 -1.65 0.00 0.00 29.97 29.32 3ggs h ARG 158 CO 0.61 -0.45 -0.41 1.19 0.56 0.00 0.00 179.97 181.46 3ggs n PHE 159 N -5.46 3.52 -2.44 3.04 3.72 -1.26 -5.04 117.46 113.55 3ggs n PHE 159 Ca -0.09 -4.13 -0.40 0.00 -0.05 0.00 0.00 57.45 52.78 3ggs n PHE 159 Cb 0.36 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 38.13 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 -1.90 4.61 0.44 -1.08 0.04 -1.26 -5.02 135.00 130.83 3ggs s PRO 160 Ca 0.31 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 3ggs s PRO 160 Cb 0.03 -3.18 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 3ggs s PRO 160 CO -0.09 0.16 1.17 0.00 0.04 0.00 0.00 177.00 178.28 3ggs s ALA 161 N -1.10 3.02 0.00 8.56 0.00 -1.26 -4.97 121.76 126.01 3ggs s ALA 161 Ca 0.45 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3ggs s ALA 161 Cb -0.33 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3ggs s ALA 161 CO 0.42 -0.62 0.60 -1.33 0.00 0.00 0.00 175.76 174.83 3ggs n MET 162 N -0.34 0.30 0.20 0.00 2.81 -1.26 -4.75 117.12 114.09 3ggs n MET 162 Ca 0.06 -0.74 0.14 0.00 -1.81 0.00 0.00 57.70 55.35 3ggs n MET 162 Cb 0.48 -0.93 0.73 0.00 -0.71 0.00 0.00 33.22 32.78 3ggs n MET 162 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ggs h SER 163 N 0.00 0.00 0.00 7.83 4.64 -2.02 -2.50 113.55 121.50 3ggs h SER 163 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3ggs h SER 163 Cb 0.24 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.23 3ggs h SER 163 CO 0.00 0.00 -0.59 -0.90 -0.87 0.00 0.00 176.83 174.47 3ggs n ASP 164 N -2.48 1.53 0.21 4.97 3.85 -1.26 -4.86 116.55 118.51 3ggs n ASP 164 Ca -0.01 -3.30 0.07 0.00 -0.71 0.00 0.00 54.79 50.83 3ggs n ASP 164 Cb 0.08 -0.45 0.49 0.00 -1.35 0.00 0.00 41.12 39.88 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 0.88 1.31 -2.73 2.12 0.00 -1.77 -3.36 119.26 115.71 3ggs h ALA 165 Ca -0.06 -0.25 -0.74 0.00 0.00 0.00 0.00 54.91 53.86 3ggs h ALA 165 Cb 1.24 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.69 3ggs h ALA 165 CO 0.02 0.34 -0.21 0.71 0.00 0.00 0.00 179.25 180.11 3ggs s TYR 166 N -4.12 3.50 -0.22 0.00 2.02 -1.26 -4.25 117.35 113.02 3ggs s TYR 166 Ca -0.02 -2.00 -0.23 0.00 -0.37 0.00 0.00 57.07 54.45 3ggs s TYR 166 Cb 0.13 -3.58 -0.10 0.00 -0.40 0.00 0.00 41.96 38.02 3ggs s TYR 166 CO 0.67 -0.97 0.75 -3.47 -1.57 0.00 0.00 175.55 170.97 3ggs n ASP 167 N 4.38 0.53 -0.32 2.29 -0.08 -0.62 -4.84 116.55 117.88 3ggs n ASP 167 Ca 0.01 0.58 -0.00 0.00 -1.51 0.00 0.00 54.79 53.87 3ggs n ASP 167 Cb 0.42 -0.43 0.13 0.00 2.34 0.00 0.00 41.12 43.58 3ggs n ASP 167 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3ggs h ARG 168 N 2.34 1.03 -0.29 -0.67 2.43 -1.91 -2.88 114.38 114.43 3ggs h ARG 168 Ca -0.22 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.78 3ggs h ARG 168 Cb 0.67 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3ggs h ARG 168 CO 0.46 0.68 -0.24 1.15 -1.51 0.00 0.00 179.97 180.51 3ggs h THR 169 N 1.06 1.30 -0.00 0.20 2.02 -1.99 -2.27 112.91 113.23 3ggs h THR 169 Ca 0.37 -1.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 3ggs h THR 169 Cb 0.09 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3ggs h THR 169 CO -0.15 0.45 -0.53 0.24 0.37 0.00 0.00 175.52 175.90 3ggs h MET 170 N 0.42 0.01 -0.38 6.66 2.86 -1.93 -2.03 114.93 120.54 3ggs h MET 170 Ca 0.05 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 3ggs h MET 170 Cb 0.80 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3ggs h MET 170 CO 0.06 0.54 -0.37 0.00 1.06 0.00 0.00 176.91 178.20 3ggs h ARG 171 N 0.01 0.91 -0.23 1.72 3.08 -1.36 0.78 114.38 119.29 3ggs h ARG 171 Ca -0.00 -0.47 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 3ggs h ARG 171 Cb 0.95 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3ggs h ARG 171 CO 0.07 1.12 -0.16 1.96 -1.07 0.00 0.00 179.97 181.90 3ggs h GLN 172 N 0.75 0.39 0.16 0.04 4.20 -1.19 -2.31 115.11 117.14 3ggs h GLN 172 Ca 0.06 -0.11 -0.31 0.00 0.06 0.00 0.00 58.65 58.35 3ggs h GLN 172 Cb 0.96 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.71 3ggs h GLN 172 CO 0.09 0.54 -1.46 0.00 -0.67 0.00 0.00 178.83 177.33 3ggs h ARG 173 N 0.36 0.35 0.15 1.46 3.08 -1.22 -2.66 114.38 115.89 3ggs h ARG 173 Ca 0.07 -0.59 0.01 0.00 0.07 0.00 0.00 59.98 59.53 3ggs h ARG 173 Cb 0.49 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3ggs h ARG 173 CO 0.03 1.25 -0.20 0.00 -1.07 0.00 0.00 179.97 179.99 3ggs h ALA 174 N 0.39 -0.37 -0.68 0.04 0.00 -0.81 0.18 119.26 118.01 3ggs h ALA 174 Ca -0.23 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 54.79 3ggs h ALA 174 Cb 2.05 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 3ggs h ALA 174 CO 0.21 -0.74 0.46 -0.07 0.00 0.00 0.00 179.25 179.11 3ggs h LEU 175 N -0.40 0.26 0.01 0.00 3.38 -1.48 0.53 115.31 117.61 3ggs h LEU 175 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ggs h LEU 175 Cb 0.40 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ggs h LEU 175 CO -0.08 0.13 -0.00 -1.28 0.09 0.00 0.00 178.44 177.30 3ggs h SER 176 N 0.27 -0.01 -0.47 -0.43 0.87 -1.03 -3.24 113.55 109.52 3ggs h SER 176 Ca 0.33 -0.85 0.07 0.00 -1.23 0.00 0.00 61.79 60.11 3ggs h SER 176 Cb 0.90 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 3ggs h SER 176 CO -0.08 0.87 0.32 0.74 -0.53 0.00 0.00 176.83 178.15 3ggs h THR 177 N -0.90 0.95 -0.23 2.23 2.02 -0.28 -2.08 112.91 114.62 3ggs h THR 177 Ca -0.00 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 3ggs h THR 177 Cb 0.85 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3ggs h THR 177 CO 0.00 0.07 -0.09 -0.25 0.37 0.00 0.00 175.52 175.62 3ggs h TRP 178 N 0.37 0.38 -0.19 3.16 2.91 -0.97 -3.01 115.95 118.60 3ggs h TRP 178 Ca 0.21 -0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.12 3ggs h TRP 178 Cb 0.36 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 3ggs h TRP 178 CO -0.00 0.45 -0.16 0.87 -1.03 0.00 0.00 178.44 178.57 3ggs h LYS 179 N 0.35 0.31 0.00 2.65 1.57 -1.39 -2.39 116.57 117.66 3ggs h LYS 179 Ca 0.07 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3ggs h LYS 179 Cb 0.38 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3ggs h LYS 179 CO 0.02 0.48 -0.46 -0.56 -0.57 0.00 0.00 179.45 178.36 3ggs h GLN 180 N 0.29 0.00 -0.15 3.15 3.07 -1.60 -3.29 115.11 116.58 3ggs h GLN 180 Ca 0.05 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.84 3ggs h GLN 180 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 3ggs h GLN 180 CO 0.03 0.46 0.11 0.52 0.09 0.00 0.00 178.83 180.04 3ggs h MET 181 N 0.00 0.00 -3.44 0.06 2.86 -1.38 -3.46 114.93 109.57 3ggs h MET 181 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 3ggs h MET 181 Cb 1.10 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.82 3ggs h MET 181 CO 0.06 0.00 -0.37 0.41 1.06 0.00 0.00 176.91 178.07 3ggs n GLY 182 N -1.56 0.09 3.89 8.32 0.00 -1.24 -5.03 105.19 109.67 3ggs n GLY 182 Ca 0.01 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.59 3.47 0.19 1.61 0.41 -1.26 -5.00 118.70 112.53 3ggs s GLU 183 Ca 0.29 0.42 -0.01 0.00 -0.41 0.00 0.00 54.97 55.25 3ggs s GLU 183 Cb -0.13 -2.23 0.12 0.00 -1.78 0.00 0.00 34.13 30.12 3ggs s GLU 183 CO 0.35 -0.45 1.49 0.37 -0.49 0.00 0.00 175.26 176.54 3ggs h GLN 184 N -0.08 0.44 -6.31 1.61 5.75 -2.00 -3.44 115.11 111.07 3ggs h GLN 184 Ca -0.45 -0.31 -0.69 0.00 -0.15 0.00 0.00 58.65 57.05 3ggs h GLN 184 Cb 1.21 0.05 -0.22 0.00 1.07 0.00 0.00 27.48 29.59 3ggs h GLN 184 CO 0.62 0.92 -0.75 1.03 -2.65 0.00 0.00 178.83 178.00 3ggs s ARG 185 N -3.81 2.51 0.70 1.69 0.52 -1.26 -5.11 118.95 114.20 3ggs s ARG 185 Ca -0.06 -0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 54.31 3ggs s ARG 185 Cb 0.11 -2.41 0.02 0.00 0.52 0.00 0.00 34.95 33.20 3ggs s ARG 185 CO 0.83 0.62 1.13 -2.00 0.02 0.00 0.00 175.30 175.91 3ggs s GLU 186 N -0.86 2.46 -0.43 3.54 2.56 -1.26 -4.94 118.70 119.77 3ggs s GLU 186 Ca 0.12 1.47 -0.29 0.00 0.00 0.00 0.00 54.97 56.27 3ggs s GLU 186 Cb -0.11 -1.90 0.02 0.00 2.00 0.00 0.00 34.13 34.14 3ggs s GLU 186 CO 0.02 -1.53 1.21 -1.17 -0.56 0.00 0.00 175.26 173.23 3ggs s LEU 187 N -5.16 3.69 0.79 2.70 2.96 -1.26 -4.86 118.68 117.54 3ggs s LEU 187 Ca 0.68 0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 55.18 3ggs s LEU 187 Cb -0.22 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 42.99 3ggs s LEU 187 CO 0.45 -1.23 1.09 -1.10 -1.32 0.00 0.00 176.35 174.24 3ggs s GLN 188 N 4.43 2.10 -0.15 1.98 -1.52 -0.78 -4.82 119.66 120.90 3ggs s GLN 188 Ca 0.51 0.98 -0.12 0.00 -1.95 0.00 0.00 55.36 54.78 3ggs s GLN 188 Cb -0.10 -1.89 0.04 0.00 -0.22 0.00 0.00 33.01 30.84 3ggs s GLN 188 CO 0.29 -1.70 0.39 -2.00 -0.25 0.00 0.00 175.29 172.02 3ggs s GLU 189 N -4.97 0.44 0.00 2.91 2.12 -1.26 0.13 118.70 118.07 3ggs s GLU 189 Ca 0.61 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.54 3ggs s GLU 189 Cb -0.16 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.38 3ggs s GLU 189 CO 0.56 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 3ggs n GLY 190 N 3.22 -1.06 3.73 -1.50 0.00 -0.90 -4.91 105.19 103.77 3ggs n GLY 190 Ca -0.16 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 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 5.36 -0.13 2.61 2.01 -1.26 -1.66 115.64 119.57 3ggs s THR 191 Ca 0.00 0.36 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 3ggs s THR 191 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3ggs s THR 191 CO 0.00 0.42 0.72 -0.47 -0.69 0.00 0.00 174.62 174.60 3ggs s TYR 192 N 0.36 3.47 -0.19 4.92 5.04 -0.62 -1.16 117.35 129.18 3ggs s TYR 192 Ca 0.12 1.17 -0.08 0.00 -2.44 0.00 0.00 57.07 55.83 3ggs s TYR 192 Cb -0.12 -2.87 -0.04 0.00 0.35 0.00 0.00 41.96 39.28 3ggs s TYR 192 CO 0.01 -0.08 0.09 0.54 -1.34 0.00 0.00 175.55 174.76 3ggs s VAL 193 N 1.52 4.96 -0.33 3.14 0.11 0.44 -1.32 120.40 128.92 3ggs s VAL 193 Ca 0.35 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.31 3ggs s VAL 193 Cb -0.17 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.41 3ggs s VAL 193 CO 0.14 0.44 0.23 -0.32 -3.33 0.00 0.00 175.10 172.26 3ggs s MET 194 N 0.47 3.53 0.10 1.54 1.75 -0.81 -1.90 119.30 123.98 3ggs s MET 194 Ca 0.05 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 53.90 3ggs s MET 194 Cb -0.12 -3.78 -0.04 0.00 2.84 0.00 0.00 34.83 33.73 3ggs s MET 194 CO 0.00 -0.42 0.12 0.14 -0.65 0.00 0.00 175.02 174.22 3ggs s VAL 195 N 1.72 4.68 0.15 10.11 -7.23 -0.68 -3.44 120.40 125.70 3ggs s VAL 195 Ca 0.06 -0.80 0.28 0.00 -1.81 0.00 0.00 61.98 59.71 3ggs s VAL 195 Cb -0.17 -3.30 0.30 0.00 0.56 0.00 0.00 36.38 33.76 3ggs s VAL 195 CO 0.10 0.05 1.90 0.00 -0.31 0.00 0.00 175.10 176.85 3ggs h ALA 196 N 2.96 1.04 -0.94 1.32 0.00 -1.91 -3.37 119.26 118.37 3ggs h ALA 196 Ca -0.47 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3ggs h ALA 196 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ggs h ALA 196 CO 0.67 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.49 3ggs n GLY 197 N 0.04 0.36 0.08 0.00 0.00 -1.26 -3.81 105.19 100.60 3ggs n GLY 197 Ca 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3ggs n GLY 197 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ggs n PRO 198 N -0.45 0.47 -1.31 1.61 -0.04 -1.26 -4.77 135.00 129.25 3ggs n PRO 198 Ca 0.00 0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 3ggs n PRO 198 Cb 0.00 -1.73 0.08 0.00 -0.04 0.00 0.00 33.50 31.81 3ggs n PRO 198 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ggs n SER 199 N -2.38 -0.06 -4.95 3.54 3.41 -1.26 -5.02 113.62 106.89 3ggs n SER 199 Ca 0.01 0.64 -0.23 0.00 -0.26 0.00 0.00 58.87 59.03 3ggs n SER 199 Cb 0.50 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3ggs n SER 199 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ggs s PHE 200 N -1.86 3.28 0.60 7.33 0.40 -1.26 -5.06 117.98 121.40 3ggs s PHE 200 Ca 0.71 0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 57.04 3ggs s PHE 200 Cb -0.34 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 3ggs s PHE 200 CO 0.53 -0.19 1.32 -0.65 0.70 0.00 0.00 175.22 176.93 3ggs s GLN 201 N -4.45 2.82 0.56 0.44 1.11 -1.26 -5.05 119.66 113.83 3ggs s GLN 201 Ca 0.46 2.13 -0.04 0.00 0.01 0.00 0.00 55.36 57.92 3ggs s GLN 201 Cb -0.10 -2.02 0.01 0.00 -1.01 0.00 0.00 33.01 29.88 3ggs s GLN 201 CO 0.36 -1.41 0.85 0.95 0.01 0.00 0.00 175.29 176.05 3ggs s THR 202 N -1.36 3.73 0.09 -0.19 -4.23 -1.26 -4.89 115.64 107.53 3ggs s THR 202 Ca 0.78 -0.12 -0.32 0.00 -1.18 0.00 0.00 61.69 60.85 3ggs s THR 202 Cb -0.39 -3.46 -0.14 0.00 1.34 0.00 0.00 72.50 69.86 3ggs s THR 202 CO 0.43 -0.43 1.60 0.58 -0.54 0.00 0.00 174.62 176.25 3ggs h VAL 203 N -0.04 0.19 -0.95 2.29 2.07 -1.94 0.35 116.25 118.22 3ggs h VAL 203 Ca -0.45 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.28 3ggs h VAL 203 Cb 1.26 0.19 -0.18 0.00 -1.52 0.00 0.00 31.29 31.04 3ggs h VAL 203 CO 0.60 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 178.06 3ggs h ALA 204 N -0.41 0.82 -0.26 1.67 0.00 -1.94 0.23 119.26 119.37 3ggs h ALA 204 Ca -0.03 0.35 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3ggs h ALA 204 Cb 0.72 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3ggs h ALA 204 CO -0.08 -0.45 -0.11 0.93 0.00 0.00 0.00 179.25 179.54 3ggs h GLU 205 N 0.01 0.54 -0.85 0.00 5.08 -1.77 -2.28 114.58 115.31 3ggs h GLU 205 Ca 0.50 -0.23 0.16 0.00 -1.00 0.00 0.00 59.36 58.80 3ggs h GLU 205 Cb 0.88 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 3ggs h GLU 205 CO -0.93 0.78 0.56 0.00 -1.00 0.00 0.00 179.01 178.41 3ggs h ARG 207 N 0.51 0.00 0.31 0.00 3.08 -0.07 -1.67 114.38 116.54 3ggs h ARG 207 Ca 0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.47 3ggs h ARG 207 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3ggs h ARG 207 CO -0.17 0.36 -0.15 -0.39 -1.07 0.00 0.00 179.97 178.54 3ggs h VAL 208 N 0.00 0.06 -0.93 2.04 -1.51 -0.90 -1.61 116.25 113.40 3ggs h VAL 208 Ca -0.00 -0.72 0.23 0.00 -1.23 0.00 0.00 66.70 64.98 3ggs h VAL 208 Cb 0.74 0.10 -0.17 0.00 -2.13 0.00 0.00 31.29 29.82 3ggs h VAL 208 CO 0.05 0.02 -0.06 0.18 -1.23 0.00 0.00 177.57 176.52 3ggs n LEU 209 N -5.05 -0.18 0.22 4.19 4.32 -0.86 0.35 117.00 119.98 3ggs n LEU 209 Ca -0.06 1.58 -0.15 0.00 -0.02 0.00 0.00 56.01 57.36 3ggs n LEU 209 Cb 0.18 -0.54 -0.08 0.00 -1.62 0.00 0.00 43.42 41.36 3ggs n LEU 209 CO 0.14 -1.57 0.72 1.56 -1.22 0.00 0.00 177.39 177.01 3ggs h GLN 210 N 0.00 -0.55 -0.83 3.23 4.20 -1.27 -2.90 115.11 116.99 3ggs h GLN 210 Ca 0.52 0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.40 3ggs h GLN 210 Cb 1.00 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.85 3ggs h GLN 210 CO -0.90 -0.37 0.54 0.87 -0.67 0.00 0.00 178.83 178.31 3ggs h LYS 211 N -0.57 0.62 -0.03 1.46 1.57 0.92 0.20 116.57 120.74 3ggs h LYS 211 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3ggs h LYS 211 Cb 0.47 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3ggs h LYS 211 CO 0.04 0.41 0.00 1.28 -0.57 0.00 0.00 179.45 180.61 3ggs n LEU 212 N -4.53 0.03 0.00 2.94 4.32 0.63 -4.87 117.00 115.53 3ggs n LEU 212 Ca 0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 3ggs n LEU 212 Cb 0.45 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3ggs n LEU 212 CO 0.31 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 3ggs n GLY 213 N -0.00 1.54 3.74 -0.72 0.00 0.70 -5.00 105.19 105.46 3ggs n GLY 213 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.97 3.71 -0.17 4.61 0.00 -1.11 -4.72 121.76 121.10 3ggs s ALA 214 Ca 0.00 1.41 0.22 0.00 0.00 0.00 0.00 51.96 53.58 3ggs s ALA 214 Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 3ggs s ALA 214 CO 0.00 -0.81 0.87 -0.25 0.00 0.00 0.00 175.76 175.56 3ggs n ASP 215 N 2.87 0.64 -3.65 0.00 8.00 -0.31 -4.55 116.55 119.54 3ggs n ASP 215 Ca 0.10 0.25 -0.14 0.00 0.71 0.00 0.00 54.79 55.71 3ggs n ASP 215 Cb 0.39 0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 42.20 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 -3.33 -1.65 0.09 2.24 0.00 -0.80 -1.42 121.76 116.88 3ggs s ALA 216 Ca -0.03 1.89 0.06 0.00 0.00 0.00 0.00 51.96 53.89 3ggs s ALA 216 Cb 0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 3ggs s ALA 216 CO 0.82 -0.32 -0.09 0.54 0.00 0.00 0.00 175.76 176.71 3ggs s VAL 217 N 0.37 3.41 0.16 0.00 0.11 0.12 -0.42 120.40 124.15 3ggs s VAL 217 Ca -0.00 -1.19 -0.16 0.00 -2.93 0.00 0.00 61.98 57.70 3ggs s VAL 217 Cb -0.05 -2.58 0.06 0.00 -1.53 0.00 0.00 36.38 32.28 3ggs s VAL 217 CO 0.01 0.16 0.78 0.61 -3.33 0.00 0.00 175.10 173.32 3ggs n GLY 218 N 0.84 0.81 0.71 6.54 0.00 -0.80 -0.78 105.19 112.51 3ggs n GLY 218 Ca -0.14 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.54 1.69 -1.36 1.61 2.81 -1.26 -1.69 117.12 118.38 3ggs n MET 219 Ca -0.02 -3.34 -0.00 0.00 -1.81 0.00 0.00 57.70 52.53 3ggs n MET 219 Cb 0.45 -1.63 -0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.06 -0.02 0.00 7.83 3.41 -1.26 -4.56 113.62 117.96 3ggs n SER 220 Ca 0.20 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 3ggs n SER 220 Cb 0.72 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 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 -0.01 0.00 -0.19 6.66 -1.04 -1.26 -4.65 114.28 113.79 3ggs n THR 221 Ca -0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3ggs n THR 221 Cb 0.01 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.39 -0.54 12.58 2.07 -1.98 -0.50 116.25 128.26 3ggs h VAL 222 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3ggs h VAL 222 Cb 0.00 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 30.05 3ggs h VAL 222 CO 0.00 0.00 -0.23 -0.65 0.02 0.00 0.00 177.57 176.71 3ggs h PRO 223 N -0.02 -0.09 -0.37 1.57 0.11 -1.99 0.95 132.00 132.16 3ggs h PRO 223 Ca 0.28 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.44 3ggs h PRO 223 Cb 0.44 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 3ggs h PRO 223 CO -0.61 -0.06 0.14 0.93 -0.21 0.00 0.00 178.00 178.19 3ggs h GLU 224 N -0.09 0.30 0.02 1.05 3.07 -1.53 -2.42 114.58 114.98 3ggs h GLU 224 Ca 0.25 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3ggs h GLU 224 Cb 0.49 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3ggs h GLU 224 CO -0.61 0.20 -0.04 0.28 -1.40 0.00 0.00 179.01 177.44 3ggs h VAL 225 N 0.31 0.89 -0.52 3.13 2.07 -0.12 -0.27 116.25 121.73 3ggs h VAL 225 Ca 0.17 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.78 3ggs h VAL 225 Cb 0.13 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 3ggs h VAL 225 CO -0.16 0.00 0.11 0.40 0.02 0.00 0.00 177.57 177.94 3ggs h ILE 226 N -0.09 0.71 0.00 4.57 2.04 -0.68 -0.38 117.51 123.68 3ggs h ILE 226 Ca 0.01 -0.08 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 3ggs h ILE 226 Cb 0.10 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3ggs h ILE 226 CO -0.03 0.04 -0.68 -0.37 0.00 0.00 0.00 178.15 177.12 3ggs h VAL 227 N 0.24 1.37 0.04 1.67 -1.51 -1.19 -1.62 116.25 115.25 3ggs h VAL 227 Ca 0.26 -2.43 0.02 0.00 -1.23 0.00 0.00 66.70 63.32 3ggs h VAL 227 Cb 0.36 2.35 -0.03 0.00 -2.13 0.00 0.00 31.29 31.84 3ggs h VAL 227 CO -0.34 0.67 -0.15 0.00 -1.23 0.00 0.00 177.57 176.51 3ggs h ALA 228 N 1.32 -0.21 -0.63 5.19 0.00 -0.38 -1.69 119.26 122.85 3ggs h ALA 228 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ggs h ALA 228 Cb 1.30 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3ggs h ALA 228 CO 0.09 -0.66 0.18 0.00 0.00 0.00 0.00 179.25 178.86 3ggs h ARG 229 N -0.27 0.97 -0.95 0.00 2.47 -0.94 -0.76 114.38 114.90 3ggs h ARG 229 Ca 0.04 -0.20 0.15 0.00 -1.26 0.00 0.00 59.98 58.71 3ggs h ARG 229 Cb 0.32 -0.14 -0.09 0.00 -1.65 0.00 0.00 29.97 28.40 3ggs h ARG 229 CO -0.12 0.85 0.56 1.25 0.56 0.00 0.00 179.97 183.06 3ggs h HIS 230 N 0.93 0.99 0.00 3.04 2.76 -1.08 -0.87 115.15 120.92 3ggs h HIS 230 Ca 0.20 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3ggs h HIS 230 Cb 0.30 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3ggs h HIS 230 CO 0.02 0.29 0.00 0.00 -1.30 0.00 0.00 177.93 176.94 3ggs n GLY 232 N 1.32 0.56 3.79 0.00 0.00 -0.33 -4.96 105.19 105.55 3ggs n GLY 232 Ca 0.06 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 4.10 0.19 0.99 1.02 -0.43 -4.99 118.68 119.57 3ggs s LEU 233 Ca 0.00 1.97 -0.30 0.00 0.02 0.00 0.00 54.13 55.82 3ggs s LEU 233 Cb 0.00 -4.25 -0.08 0.00 0.02 0.00 0.00 46.19 41.88 3ggs s LEU 233 CO 0.00 -0.48 1.03 -0.60 0.02 0.00 0.00 176.35 176.32 3ggs s ARG 234 N -2.61 4.69 -0.02 1.70 3.52 0.35 -4.41 118.95 122.17 3ggs s ARG 234 Ca 0.59 1.61 0.03 0.00 -0.13 0.00 0.00 55.73 57.83 3ggs s ARG 234 Cb -0.20 -3.29 -0.00 0.00 -1.56 0.00 0.00 34.95 29.90 3ggs s ARG 234 CO 0.25 0.24 -0.12 0.08 -0.81 0.00 0.00 175.30 174.94 3ggs s VAL 235 N -0.56 0.98 0.21 7.11 1.01 -1.26 0.73 120.40 128.62 3ggs s VAL 235 Ca 0.46 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 3ggs s VAL 235 Cb -0.27 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3ggs s VAL 235 CO 0.34 0.29 0.43 0.72 0.00 0.00 0.00 175.10 176.88 3ggs s PHE 236 N -0.03 0.24 0.03 5.22 -0.12 -0.94 -1.59 117.98 120.78 3ggs s PHE 236 Ca 0.00 -0.60 -0.28 0.00 -0.05 0.00 0.00 56.93 56.00 3ggs s PHE 236 Cb -0.08 0.17 0.10 0.00 -0.63 0.00 0.00 43.02 42.59 3ggs s PHE 236 CO 0.00 -0.89 1.22 0.20 -0.05 0.00 0.00 175.22 175.70 3ggs s GLY 237 N -2.96 -0.27 0.01 1.99 0.00 -1.26 -1.68 107.32 103.14 3ggs s GLY 237 Ca 0.17 0.35 -0.01 0.00 0.00 0.00 0.00 44.72 45.24 3ggs s GLY 237 CO 0.03 1.66 0.01 -1.36 0.00 0.00 0.00 173.10 173.44 3ggs s PHE 238 N -2.40 0.12 -0.12 1.90 0.08 -0.21 -1.46 117.98 115.90 3ggs s PHE 238 Ca 0.18 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.97 3ggs s PHE 238 Cb 0.02 -0.10 -0.02 0.00 -0.57 0.00 0.00 43.02 42.35 3ggs s PHE 238 CO -0.01 -0.13 -0.08 -1.12 -0.10 0.00 0.00 175.22 173.78 3ggs s SER 239 N -0.88 4.51 -0.27 1.36 0.01 0.02 -1.90 113.70 116.56 3ggs s SER 239 Ca -0.10 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 56.83 3ggs s SER 239 Cb -0.06 -1.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 3ggs s SER 239 CO -0.00 0.24 0.52 -0.22 0.41 0.00 0.00 173.24 174.18 3ggs s LEU 240 N -0.05 4.08 -0.66 2.44 2.96 0.11 -0.22 118.68 127.34 3ggs s LEU 240 Ca -0.00 0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 54.10 3ggs s LEU 240 Cb -0.13 -2.66 0.03 0.00 0.50 0.00 0.00 46.19 43.92 3ggs s LEU 240 CO 0.03 -0.31 1.28 -0.63 -1.32 0.00 0.00 176.35 175.39 3ggs s ILE 241 N 2.33 3.83 -0.18 6.68 -1.09 -0.57 -0.24 121.20 131.96 3ggs s ILE 241 Ca 0.21 0.62 0.20 0.00 -2.23 0.00 0.00 60.65 59.45 3ggs s ILE 241 Cb -0.16 -4.77 -0.06 0.00 -1.58 0.00 0.00 42.46 35.90 3ggs s ILE 241 CO 0.10 -1.57 0.96 0.71 -1.23 0.00 0.00 174.94 173.91 3ggs h THR 242 N 6.14 0.25 -2.72 2.92 1.35 -1.49 0.91 112.91 120.28 3ggs h THR 242 Ca -0.27 -1.50 -0.05 0.00 -0.55 0.00 0.00 66.41 64.05 3ggs h THR 242 Cb 1.06 1.78 -0.15 0.00 -1.73 0.00 0.00 68.15 69.11 3ggs h THR 242 CO 1.23 0.14 0.12 1.51 -0.25 0.00 0.00 175.52 178.28 3ggs s ASP 243 N -5.60 -0.52 -0.24 5.36 -4.77 -1.25 -4.66 116.67 104.99 3ggs s ASP 243 Ca -0.01 0.21 -0.26 0.00 -3.30 0.00 0.00 52.55 49.18 3ggs s ASP 243 Cb 0.09 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.46 3ggs s ASP 243 CO 0.80 -0.78 0.91 -0.54 0.70 0.00 0.00 175.17 176.25 3ggs s LYS 244 N -2.68 4.21 0.42 2.11 1.02 -1.26 -0.75 119.74 122.82 3ggs s LYS 244 Ca -0.04 1.09 -0.25 0.00 0.02 0.00 0.00 55.97 56.80 3ggs s LYS 244 Cb -0.00 -3.64 -0.08 0.00 -0.52 0.00 0.00 37.83 33.58 3ggs s LYS 244 CO -0.03 -0.56 1.20 0.14 -0.92 0.00 0.00 175.35 175.18 3ggs s VAL 245 N 2.98 2.98 -0.27 3.17 -7.23 -0.82 -4.89 120.40 116.31 3ggs s VAL 245 Ca 0.38 0.81 -0.27 0.00 -1.81 0.00 0.00 61.98 61.09 3ggs s VAL 245 Cb -0.15 -3.44 0.01 0.00 0.56 0.00 0.00 36.38 33.35 3ggs s VAL 245 CO 0.07 0.06 0.95 -0.63 -0.31 0.00 0.00 175.10 175.23 3ggs s ILE 246 N -1.41 4.70 -0.51 -0.62 -1.09 -1.26 -4.92 121.20 116.09 3ggs s ILE 246 Ca 0.59 1.68 0.16 0.00 -2.23 0.00 0.00 60.65 60.85 3ggs s ILE 246 Cb -0.32 -4.25 0.69 0.00 -1.58 0.00 0.00 42.46 37.00 3ggs s ILE 246 CO 0.40 -0.24 1.61 1.15 -1.23 0.00 0.00 174.94 176.63 3ggs n MET 247 N 6.35 3.98 -3.80 2.79 0.00 -1.26 -4.53 117.12 120.64 3ggs n MET 247 Ca 0.09 -2.95 -0.05 0.00 0.00 0.00 0.00 57.70 54.79 3ggs n MET 247 Cb 0.47 -2.00 -0.01 0.00 0.00 0.00 0.00 33.22 31.68 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 -1.13 -0.16 0.05 3.17 1.47 -1.26 -4.86 116.67 113.96 3ggs s ASP 248 Ca 0.49 -0.54 0.00 0.00 1.18 0.00 0.00 52.55 53.68 3ggs s ASP 248 Cb 0.36 0.57 -0.26 0.00 -0.34 0.00 0.00 42.92 43.25 3ggs s ASP 248 CO 0.16 -1.07 1.04 1.88 0.68 0.00 0.00 175.17 177.87 3ggs h TYR 249 N 2.00 0.32 -0.18 2.11 0.05 -1.99 -2.58 116.97 116.70 3ggs h TYR 249 Ca -0.24 -0.23 0.05 0.00 0.05 0.00 0.00 58.73 58.36 3ggs h TYR 249 Cb 1.23 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.90 3ggs h TYR 249 CO 0.59 1.22 -0.21 1.49 -1.05 0.00 0.00 178.16 180.20 3ggs h GLU 250 N 0.05 -0.23 0.00 4.88 4.81 -2.01 -1.77 114.58 120.31 3ggs h GLU 250 Ca -0.15 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3ggs h GLU 250 Cb 1.94 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.37 3ggs h GLU 250 CO 0.16 -0.15 0.00 0.77 -0.73 0.00 0.00 179.01 179.06 3ggs h SER 251 N -0.24 0.00 -0.12 1.04 0.02 -1.98 -3.07 113.55 109.21 3ggs h SER 251 Ca 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3ggs h SER 251 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3ggs h SER 251 CO -0.31 0.00 0.04 0.25 -1.14 0.00 0.00 176.83 175.66 3ggs h LEU 252 N 0.00 0.17 -1.61 5.07 5.85 -0.91 -2.92 115.31 120.96 3ggs h LEU 252 Ca 0.00 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3ggs h LEU 252 Cb 0.60 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ggs h LEU 252 CO 0.00 0.32 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.06 3ggs h GLU 253 N 0.01 0.21 0.00 1.25 3.07 -1.37 -2.86 114.58 114.89 3ggs h GLU 253 Ca 0.04 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3ggs h GLU 253 Cb 0.20 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3ggs h GLU 253 CO -0.00 0.26 0.00 1.63 -1.40 0.00 0.00 179.01 179.50 3ggs n LYS 254 N -4.38 0.51 -1.70 2.33 5.02 -1.11 -4.83 118.16 114.00 3ggs n LYS 254 Ca -0.01 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 3ggs n LYS 254 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 3ggs n LYS 254 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ggs n ALA 255 N -1.18 2.09 -1.17 7.82 0.00 -1.08 -4.90 120.51 122.08 3ggs n ALA 255 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3ggs n ALA 255 Cb 0.16 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.19 3ggs n ALA 255 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ggs n ASN 256 N 3.04 0.00 -3.15 0.00 3.02 -1.26 -4.97 115.26 111.94 3ggs n ASN 256 Ca 0.14 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 3ggs n ASN 256 Cb 0.33 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3ggs n ASN 256 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ggs n HIS 257 N -0.27 2.21 -4.98 3.10 1.44 -1.26 -4.95 115.22 110.51 3ggs n HIS 257 Ca 0.00 -2.58 -0.28 0.00 -2.01 0.00 0.00 57.72 52.85 3ggs n HIS 257 Cb 0.00 -1.78 -0.15 0.00 0.12 0.00 0.00 29.99 28.18 3ggs n HIS 257 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 3ggs s GLU 258 N -0.85 1.74 -0.23 -1.40 2.12 -1.26 -5.10 118.70 113.73 3ggs s GLU 258 Ca 0.58 -0.90 -0.09 0.00 0.36 0.00 0.00 54.97 54.91 3ggs s GLU 258 Cb 0.24 -1.76 0.09 0.00 0.26 0.00 0.00 34.13 32.96 3ggs s GLU 258 CO -0.12 0.47 0.51 -1.83 -0.54 0.00 0.00 175.26 173.75 3ggs s GLU 259 N -0.82 0.45 -0.84 4.30 -1.05 -1.26 -5.08 118.70 114.40 3ggs s GLU 259 Ca 0.09 1.10 -0.26 0.00 -0.15 0.00 0.00 54.97 55.75 3ggs s GLU 259 Cb -0.09 0.34 -0.13 0.00 -0.44 0.00 0.00 34.13 33.81 3ggs s GLU 259 CO 0.00 -0.20 2.31 0.08 0.95 0.00 0.00 175.26 178.40 3ggs s VAL 260 N 2.26 3.08 0.79 1.83 1.01 -1.26 -4.90 120.40 123.20 3ggs s VAL 260 Ca -0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 3ggs s VAL 260 Cb -0.10 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.07 3ggs s VAL 260 CO -0.15 -0.17 1.16 -0.22 0.00 0.00 0.00 175.10 175.72 3ggs s LEU 261 N 14.32 2.59 0.87 3.92 0.20 -1.26 -5.05 118.68 134.27 3ggs s LEU 261 Ca 0.88 0.87 -0.12 0.00 0.69 0.00 0.00 54.13 56.46 3ggs s LEU 261 Cb -0.11 -3.44 0.11 0.00 -0.43 0.00 0.00 46.19 42.33 3ggs s LEU 261 CO 0.08 -1.78 1.10 0.00 -0.29 0.00 0.00 176.35 175.46 3ggs s ALA 262 N -3.52 1.80 -0.34 5.97 0.00 -1.26 -4.80 121.76 119.62 3ggs s ALA 262 Ca 0.61 -0.24 -0.41 0.00 0.00 0.00 0.00 51.96 51.92 3ggs s ALA 262 Cb -0.11 -3.12 -0.16 0.00 0.00 0.00 0.00 23.12 19.72 3ggs s ALA 262 CO 0.50 -2.14 1.75 0.00 0.00 0.00 0.00 175.76 175.87 3ggs n ALA 263 N -3.71 -0.34 -1.56 0.00 0.00 -1.26 -4.80 120.51 108.83 3ggs n ALA 263 Ca 0.07 0.38 -0.57 0.00 0.00 0.00 0.00 53.44 53.31 3ggs n ALA 263 Cb 0.57 -2.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.76 3ggs n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ggs n GLY 264 N 4.38 0.06 0.35 0.00 0.00 -1.26 -4.69 105.19 104.02 3ggs n GLY 264 Ca 0.29 0.77 0.12 0.00 0.00 0.00 0.00 46.02 47.20 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 3.88 0.32 -0.15 1.61 1.57 -1.97 0.88 116.57 122.72 3ggs h LYS 265 Ca -0.49 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.07 3ggs h LYS 265 Cb 1.39 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3ggs h LYS 265 CO 0.73 0.21 -0.69 1.96 -0.57 0.00 0.00 179.45 181.09 3ggs h GLN 266 N 0.33 0.63 -0.33 3.15 4.20 -1.99 -2.08 115.11 119.01 3ggs h GLN 266 Ca 0.24 -0.48 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 3ggs h GLN 266 Cb 0.52 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3ggs h GLN 266 CO -0.06 1.10 0.10 0.00 -0.67 0.00 0.00 178.83 179.30 3ggs h ALA 267 N 0.77 0.44 -0.90 3.87 0.00 -1.32 -1.50 119.26 120.62 3ggs h ALA 267 Ca -0.03 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3ggs h ALA 267 Cb 1.29 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3ggs h ALA 267 CO 0.13 0.09 0.58 0.00 0.00 0.00 0.00 179.25 180.05 3ggs h ALA 268 N 0.93 1.19 -0.16 0.00 0.00 -0.95 -2.48 119.26 117.79 3ggs h ALA 268 Ca 0.11 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ggs h ALA 268 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ggs h ALA 268 CO -0.00 0.43 -0.53 0.37 0.00 0.00 0.00 179.25 179.51 3ggs h GLN 269 N 1.12 0.45 -0.22 0.00 5.75 -1.16 -0.66 115.11 120.39 3ggs h GLN 269 Ca 0.36 -0.28 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3ggs h GLN 269 Cb 0.02 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3ggs h GLN 269 CO -0.12 0.87 0.12 -0.22 -2.65 0.00 0.00 178.83 176.83 3ggs h LYS 270 N 0.35 0.24 -0.37 1.69 3.64 -1.01 -1.92 116.57 119.19 3ggs h LYS 270 Ca 0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ggs h LYS 270 Cb 1.05 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3ggs h LYS 270 CO 0.09 0.16 0.14 1.25 -2.27 0.00 0.00 179.45 178.82 3ggs h LEU 271 N 0.25 0.52 -1.13 5.20 6.46 -1.14 -1.46 115.31 123.99 3ggs h LEU 271 Ca 0.09 -0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.71 3ggs h LEU 271 Cb 0.01 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.75 3ggs h LEU 271 CO -0.05 0.56 0.59 -0.33 -0.62 0.00 0.00 178.44 178.59 3ggs h GLU 272 N 0.45 1.05 0.00 1.25 5.08 -1.00 -0.64 114.58 120.77 3ggs h GLU 272 Ca 0.12 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3ggs h GLU 272 Cb 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3ggs h GLU 272 CO -0.01 0.70 -0.52 -0.56 -1.00 0.00 0.00 179.01 177.62 3ggs h GLN 273 N 1.09 0.00 -0.07 2.33 3.07 -1.15 -2.45 115.11 117.93 3ggs h GLN 273 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.07 3ggs h GLN 273 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.66 3ggs h GLN 273 CO -0.13 0.36 -0.11 0.35 0.09 0.00 0.00 178.83 179.39 3ggs h PHE 274 N 0.00 0.25 -0.61 0.06 3.57 -0.43 -2.04 116.94 117.76 3ggs h PHE 274 Ca -0.02 -0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.47 3ggs h PHE 274 Cb 1.31 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 3ggs h PHE 274 CO 0.00 0.69 0.28 0.28 -2.23 0.00 0.00 178.31 177.33 3ggs h VAL 275 N -0.25 0.86 -0.33 1.41 2.07 -1.20 -1.75 116.25 117.06 3ggs h VAL 275 Ca 0.01 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3ggs h VAL 275 Cb 0.66 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3ggs h VAL 275 CO 0.03 0.09 0.14 0.28 0.02 0.00 0.00 177.57 178.13 3ggs h SER 276 N 0.50 0.19 0.21 0.57 0.02 -1.40 -2.57 113.55 111.07 3ggs h SER 276 Ca 0.29 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3ggs h SER 276 Cb 0.29 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3ggs h SER 276 CO -0.24 0.15 -0.28 -0.29 -1.14 0.00 0.00 176.83 175.03 3ggs h ILE 277 N 0.30 1.23 0.00 3.27 2.10 -1.00 -2.63 117.51 120.77 3ggs h ILE 277 Ca 0.14 -1.06 0.00 0.00 1.08 0.00 0.00 64.86 65.02 3ggs h ILE 277 Cb 0.08 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 3ggs h ILE 277 CO -0.12 0.31 0.00 0.18 -1.08 0.00 0.00 178.15 177.44 3ggs n LEU 278 N -4.17 0.73 0.25 2.19 4.77 -0.69 -2.28 117.00 117.80 3ggs n LEU 278 Ca -0.02 0.66 0.18 0.00 -0.03 0.00 0.00 56.01 56.80 3ggs n LEU 278 Cb 0.35 -0.53 0.88 0.00 -2.33 0.00 0.00 43.42 41.79 3ggs n LEU 278 CO 0.39 -0.51 1.15 0.24 -1.33 0.00 0.00 177.39 177.33 3ggs h MET 279 N 0.00 0.00 0.00 3.23 2.86 -1.40 0.28 114.93 119.90 3ggs h MET 279 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3ggs h MET 279 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3ggs h MET 279 CO 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 176.91 177.93 3ggs h ALA 280 N 1.64 1.05 -0.01 6.32 0.00 -1.67 -3.31 119.26 123.30 3ggs h ALA 280 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ggs h ALA 280 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ggs h ALA 280 CO -0.00 0.04 -0.26 0.43 0.00 0.00 0.00 179.25 179.46 3ggs n SER 281 N -3.21 1.09 -4.73 0.00 7.64 0.99 -4.93 113.62 110.47 3ggs n SER 281 Ca -0.01 -1.05 -0.41 0.00 1.01 0.00 0.00 58.87 58.41 3ggs n SER 281 Cb 0.23 0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 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 -1.49 3.30 0.54 0.44 1.01 -1.18 -4.98 121.20 118.83 3ggs s ILE 282 Ca 0.08 1.05 -0.22 0.00 0.00 0.00 0.00 60.65 61.56 3ggs s ILE 282 Cb 0.08 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 3ggs s ILE 282 CO 0.29 0.15 1.32 -2.65 0.00 0.00 0.00 174.94 174.04 3ggs n PRO 283 N 2.81 1.64 -2.39 2.79 -0.02 -1.26 -5.00 135.00 133.58 3ggs n PRO 283 Ca 0.07 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 3ggs n PRO 283 Cb 0.43 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3ggs n PRO 283 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ggs s LEU 284 N -3.21 3.62 0.05 2.45 1.43 -1.26 -5.00 118.68 116.77 3ggs s LEU 284 Ca 0.71 1.57 -0.33 0.00 -1.03 0.00 0.00 54.13 55.05 3ggs s LEU 284 Cb -0.42 -4.51 -0.18 0.00 0.03 0.00 0.00 46.19 41.10 3ggs s LEU 284 CO 0.50 -0.60 1.50 1.55 0.23 0.00 0.00 176.35 179.53 3ggs h PRO 285 N 0.90 -1.14 0.00 1.29 0.14 -2.00 -3.55 132.00 127.64 3ggs h PRO 285 Ca -0.47 0.08 0.00 0.00 0.14 0.00 0.00 66.00 65.75 3ggs h PRO 285 Cb 1.19 0.26 0.00 0.00 0.14 0.00 0.00 31.00 32.59 3ggs h PRO 285 CO 0.61 -0.76 0.00 -0.25 0.14 0.00 0.00 178.00 177.74