#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgq n LYS 3 N 0.00 1.15 -4.76 -2.82 3.00 -0.83 -4.78 118.16 109.12 2jgq n LYS 3 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 2jgq n LYS 3 Cb 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 35.03 34.81 2jgq n LYS 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2jgq s ILE 4 N 0.00 3.08 -0.04 3.15 1.01 -0.95 -4.82 121.20 122.63 2jgq s ILE 4 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2jgq s ILE 4 Cb 0.00 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.24 2jgq s ILE 4 CO 0.00 0.49 0.02 0.00 0.00 0.00 0.00 174.94 175.45 2jgq s ALA 5 N -0.83 0.38 -0.05 9.38 0.00 -0.69 -0.30 121.76 129.65 2jgq s ALA 5 Ca 0.13 0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.25 2jgq s ALA 5 Cb -0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2jgq s ALA 5 CO 0.03 -0.32 -0.24 -1.64 0.00 0.00 0.00 175.76 173.59 2jgq s MET 6 N 1.66 2.42 -0.16 0.00 -1.94 0.71 -1.10 119.30 120.90 2jgq s MET 6 Ca -0.01 -0.86 -0.07 0.00 -1.71 0.00 0.00 55.69 53.05 2jgq s MET 6 Cb -0.13 -2.06 -0.04 0.00 2.01 0.00 0.00 34.83 34.61 2jgq s MET 6 CO -0.03 0.36 0.06 0.00 -0.01 0.00 0.00 175.02 175.40 2jgq s ALA 7 N -0.13 3.45 -0.33 3.03 0.00 0.21 0.68 121.76 128.66 2jgq s ALA 7 Ca -0.04 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2jgq s ALA 7 Cb -0.13 -1.86 0.08 0.00 0.00 0.00 0.00 23.12 21.21 2jgq s ALA 7 CO 0.03 0.30 0.04 1.21 0.00 0.00 0.00 175.76 177.35 2jgq s ASN 8 N -0.02 4.84 0.32 0.00 2.47 0.09 -0.10 114.94 122.54 2jgq s ASN 8 Ca 0.06 -1.80 0.26 0.00 0.42 0.00 0.00 52.86 51.80 2jgq s ASN 8 Cb -0.12 -1.67 0.99 0.00 -1.45 0.00 0.00 41.25 39.00 2jgq s ASN 8 CO 0.01 -0.35 1.77 -0.26 -3.72 0.00 0.00 177.10 174.55 2jgq h PHE 9 N 7.82 0.00 0.00 0.43 -1.00 -1.68 -3.41 116.94 119.10 2jgq h PHE 9 Ca -0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2jgq h PHE 9 Cb 1.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2jgq h PHE 9 CO 0.55 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.88 2jgq n LYS 10 N -2.47 0.00 -2.04 1.51 5.02 -1.26 -1.98 118.16 116.94 2jgq n LYS 10 Ca 0.03 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2jgq n LYS 10 Cb 0.30 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.33 2jgq n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jgq n SER 11 N 1.20 4.97 -0.03 4.39 2.88 -1.26 -4.08 113.62 121.68 2jgq n SER 11 Ca 0.00 -3.75 0.06 0.00 -1.33 0.00 0.00 58.87 53.85 2jgq n SER 11 Cb 0.00 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 2jgq n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jgq n ALA 12 N -0.70 3.48 -2.82 -1.46 0.00 -0.84 -5.01 120.51 113.17 2jgq n ALA 12 Ca 0.44 -0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 2jgq n ALA 12 Cb 0.94 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2jgq n ALA 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2jgq s MET 13 N -2.06 3.51 0.69 0.00 0.00 -1.26 -5.09 119.30 115.09 2jgq s MET 13 Ca 0.05 -0.43 -0.17 0.00 0.00 0.00 0.00 55.69 55.15 2jgq s MET 13 Cb 0.09 -2.96 0.01 0.00 0.00 0.00 0.00 34.83 31.98 2jgq s MET 13 CO 0.47 0.42 1.27 -2.14 0.00 0.00 0.00 175.02 175.05 2jgq s PRO 14 N -0.11 2.31 0.10 4.11 0.02 -1.26 -4.80 135.00 135.37 2jgq s PRO 14 Ca 0.04 1.99 -0.24 0.00 0.02 0.00 0.00 61.00 62.81 2jgq s PRO 14 Cb -0.13 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.44 2jgq s PRO 14 CO 0.02 -1.76 1.71 0.82 -0.33 0.00 0.00 177.00 177.45 2jgq h ILE 15 N 0.18 0.80 -0.98 2.83 2.04 -1.96 -1.48 117.51 118.94 2jgq h ILE 15 Ca -0.50 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.37 2jgq h ILE 15 Cb 1.33 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 2jgq h ILE 15 CO 0.51 0.00 0.64 2.19 0.00 0.00 0.00 178.15 181.49 2jgq h PHE 16 N -0.19 1.25 -0.29 1.37 -5.15 -1.95 -2.12 116.94 109.86 2jgq h PHE 16 Ca 0.01 0.02 -0.03 0.00 -0.20 0.00 0.00 57.97 57.77 2jgq h PHE 16 Cb 0.19 -0.42 -0.01 0.00 0.22 0.00 0.00 35.95 35.93 2jgq h PHE 16 CO -0.11 0.79 0.06 -0.22 -2.00 0.00 0.00 178.31 176.84 2jgq h LYS 17 N 1.33 0.46 -0.34 6.09 3.64 -1.88 -2.43 116.57 123.45 2jgq h LYS 17 Ca 0.36 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2jgq h LYS 17 Cb -0.13 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 2jgq h LYS 17 CO -0.07 0.55 0.06 1.03 -2.27 0.00 0.00 179.45 178.74 2jgq h SER 18 N 0.29 -0.01 -0.40 4.20 0.87 -0.90 0.37 113.55 117.98 2jgq h SER 18 Ca 0.09 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2jgq h SER 18 Cb 0.30 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 2jgq h SER 18 CO 0.00 0.03 0.19 0.45 -0.53 0.00 0.00 176.83 176.98 2jgq h HIS 19 N 0.17 0.35 -0.30 2.24 3.86 -1.30 -1.46 115.15 118.71 2jgq h HIS 19 Ca 0.16 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2jgq h HIS 19 Cb 0.18 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2jgq h HIS 19 CO -0.19 0.18 -0.09 0.00 0.86 0.00 0.00 177.93 178.69 2jgq h ALA 20 N 1.21 1.29 0.12 2.45 0.00 -1.06 -2.51 119.26 120.76 2jgq h ALA 20 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jgq h ALA 20 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jgq h ALA 20 CO -0.13 0.47 -0.06 -0.92 0.00 0.00 0.00 179.25 178.62 2jgq h TYR 21 N 0.46 -0.15 -0.46 0.00 -0.00 -0.27 -1.28 116.97 115.27 2jgq h TYR 21 Ca 0.09 -0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.85 2jgq h TYR 21 Cb 0.44 0.05 -0.03 0.00 -0.00 0.00 0.00 36.73 37.19 2jgq h TYR 21 CO 0.01 -0.02 0.25 -0.07 -0.00 0.00 0.00 178.16 178.34 2jgq h LEU 22 N -0.25 0.39 -0.27 2.82 3.38 -1.12 0.01 115.31 120.27 2jgq h LEU 22 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jgq h LEU 22 Cb 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jgq h LEU 22 CO 0.03 0.27 0.07 0.11 0.09 0.00 0.00 178.44 179.01 2jgq h LYS 23 N 0.50 0.42 -0.75 1.13 1.57 -1.36 -1.93 116.57 116.15 2jgq h LYS 23 Ca 0.19 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2jgq h LYS 23 Cb 0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2jgq h LYS 23 CO -0.11 0.50 0.32 1.49 -0.57 0.00 0.00 179.45 181.08 2jgq h GLU 24 N 0.26 1.11 -0.75 3.15 4.57 -1.03 -2.36 114.58 119.54 2jgq h GLU 24 Ca 0.08 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 2jgq h GLU 24 Cb 0.26 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2jgq h GLU 24 CO -0.00 0.89 0.31 1.25 -1.18 0.00 0.00 179.01 180.28 2jgq h LEU 25 N 1.08 1.01 -1.03 1.64 5.85 -0.87 -1.77 115.31 121.21 2jgq h LEU 25 Ca 0.25 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2jgq h LEU 25 Cb 0.18 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2jgq h LEU 25 CO -0.03 0.89 0.49 -0.08 -0.34 0.00 0.00 178.44 179.37 2jgq h GLU 26 N 1.08 1.16 -0.08 1.25 4.57 -0.89 -0.87 114.58 120.79 2jgq h GLU 26 Ca 0.25 -0.12 -0.14 0.00 -1.18 0.00 0.00 59.36 58.18 2jgq h GLU 26 Cb 0.18 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2jgq h GLU 26 CO -0.02 0.83 -0.56 0.87 -1.18 0.00 0.00 179.01 178.95 2jgq h LYS 27 N 1.17 0.23 0.01 1.92 1.57 -0.94 -3.32 116.57 117.22 2jgq h LYS 27 Ca 0.30 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2jgq h LYS 27 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2jgq h LYS 27 CO -0.05 0.73 -0.22 1.15 -0.57 0.00 0.00 179.45 180.49 2jgq h THR 28 N 0.18 1.59 -4.45 -0.16 2.02 -0.87 -3.47 112.91 107.76 2jgq h THR 28 Ca -0.00 -2.04 -0.47 0.00 0.77 0.00 0.00 66.41 64.68 2jgq h THR 28 Cb 1.04 2.91 0.11 0.00 -1.74 0.00 0.00 68.15 70.47 2jgq h THR 28 CO 0.09 0.55 0.40 -0.76 0.37 0.00 0.00 175.52 176.17 2jgq s LEU 29 N -8.44 2.56 0.42 2.58 1.43 -0.38 -5.11 118.68 111.75 2jgq s LEU 29 Ca -0.16 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 2jgq s LEU 29 Cb -0.00 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2jgq s LEU 29 CO 0.73 -2.03 0.05 -0.54 0.23 0.00 0.00 176.35 174.79 2jgq s LYS 30 N -5.61 1.96 0.54 1.70 -0.14 -1.26 -4.90 119.74 112.02 2jgq s LYS 30 Ca 0.64 -2.18 0.28 0.00 -1.36 0.00 0.00 55.97 53.35 2jgq s LYS 30 Cb -0.10 -1.18 1.44 0.00 -1.68 0.00 0.00 37.83 36.31 2jgq s LYS 30 CO 0.49 -0.29 1.95 -1.35 -0.76 0.00 0.00 175.35 175.40 2jgq h PRO 31 N 1.72 0.00 0.00 -1.68 0.11 -1.88 -0.37 132.00 129.89 2jgq h PRO 31 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 2jgq h PRO 31 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jgq h PRO 31 CO 0.70 0.00 -0.03 -0.56 -0.21 0.00 0.00 178.00 177.90 2jgq h GLN 32 N 0.00 0.00 0.00 1.05 3.07 -1.91 -1.83 115.11 115.48 2jgq h GLN 32 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 2jgq h GLN 32 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 2jgq h GLN 32 CO -0.00 0.03 -0.43 0.72 0.09 0.00 0.00 178.83 179.24 2jgq n HIS 33 N -3.50 0.16 -0.28 0.06 8.25 -0.15 -4.55 115.22 115.21 2jgq n HIS 33 Ca -0.02 0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 2jgq n HIS 33 Cb 0.14 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 30.75 2jgq n HIS 33 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2jgq h PHE 34 N 0.00 -1.71 -0.47 4.41 3.57 -1.30 -0.13 116.94 121.31 2jgq h PHE 34 Ca 0.00 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2jgq h PHE 34 Cb 0.57 0.84 0.00 0.00 2.79 0.00 0.00 35.95 40.15 2jgq h PHE 34 CO 0.00 -0.43 0.00 -0.40 -2.23 0.00 0.00 178.31 175.25 2jgq n ASP 35 N -5.33 3.65 -0.04 0.41 5.68 -1.26 -2.83 116.55 116.83 2jgq n ASP 35 Ca 0.00 -2.35 -0.04 0.00 -0.50 0.00 0.00 54.79 51.90 2jgq n ASP 35 Cb 0.31 -0.50 -0.06 0.00 -1.14 0.00 0.00 41.12 39.72 2jgq n ASP 35 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2jgq n ARG 36 N 0.73 2.48 -4.69 0.11 5.12 -0.51 -5.00 116.66 114.90 2jgq n ARG 36 Ca 0.19 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.78 2jgq n ARG 36 Cb 0.70 -1.21 -0.13 0.00 -1.16 0.00 0.00 32.46 30.66 2jgq n ARG 36 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jgq s VAL 37 N -2.20 3.31 0.01 1.55 1.01 -0.18 -1.70 120.40 122.20 2jgq s VAL 37 Ca -0.05 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2jgq s VAL 37 Cb 0.03 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2jgq s VAL 37 CO 0.33 0.53 -0.18 -0.36 0.00 0.00 0.00 175.10 175.42 2jgq s PHE 38 N 0.16 1.57 -0.05 5.22 0.08 -0.26 -0.98 117.98 123.72 2jgq s PHE 38 Ca -0.05 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2jgq s PHE 38 Cb -0.15 -0.97 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2jgq s PHE 38 CO 0.04 0.02 -0.06 0.08 -0.10 0.00 0.00 175.22 175.21 2jgq s VAL 39 N -0.59 0.64 -0.63 -0.44 1.01 -0.67 0.64 120.40 120.35 2jgq s VAL 39 Ca 0.06 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2jgq s VAL 39 Cb -0.07 -0.65 0.15 0.00 0.00 0.00 0.00 36.38 35.81 2jgq s VAL 39 CO 0.00 0.25 0.40 -0.36 0.00 0.00 0.00 175.10 175.40 2jgq s PHE 40 N 0.95 3.42 0.71 5.22 0.08 0.86 -1.48 117.98 127.74 2jgq s PHE 40 Ca -0.10 -3.27 -0.11 0.00 0.12 0.00 0.00 56.93 53.56 2jgq s PHE 40 Cb -0.14 -2.76 0.02 0.00 -0.57 0.00 0.00 43.02 39.57 2jgq s PHE 40 CO 0.00 -0.63 1.10 -1.25 -0.10 0.00 0.00 175.22 174.34 2jgq s PRO 41 N -0.98 2.72 0.94 0.24 0.04 -1.24 -1.91 135.00 134.80 2jgq s PRO 41 Ca 0.22 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 2jgq s PRO 41 Cb -0.13 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.53 2jgq s PRO 41 CO -0.10 -1.10 1.11 0.16 0.04 0.00 0.00 177.00 177.12 2jgq s ASP 42 N -4.39 3.24 0.42 6.66 1.47 -1.26 -4.33 116.67 118.48 2jgq s ASP 42 Ca 0.58 1.10 0.18 0.00 1.18 0.00 0.00 52.55 55.60 2jgq s ASP 42 Cb -0.11 -1.73 1.11 0.00 -0.34 0.00 0.00 42.92 41.85 2jgq s ASP 42 CO 0.51 -2.74 1.84 -0.26 0.68 0.00 0.00 175.17 175.20 2jgq h PHE 43 N -1.62 0.54 0.21 2.11 0.04 -1.97 -1.98 116.94 114.27 2jgq h PHE 43 Ca -0.52 0.02 -0.29 0.00 2.80 0.00 0.00 57.97 59.98 2jgq h PHE 43 Cb 1.32 -0.16 0.03 0.00 2.20 0.00 0.00 35.95 39.34 2jgq h PHE 43 CO 0.31 0.12 -1.29 0.74 -0.60 0.00 0.00 178.31 177.60 2jgq h PHE 44 N 0.39 0.81 0.00 -0.55 0.04 -1.99 -3.35 116.94 112.28 2jgq h PHE 44 Ca 0.49 -0.59 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2jgq h PHE 44 Cb 1.26 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2jgq h PHE 44 CO -0.00 1.49 0.00 0.41 -0.60 0.00 0.00 178.31 179.61 2jgq n GLY 45 N 1.72 -0.90 3.97 -1.45 0.00 -0.77 -4.82 105.19 102.94 2jgq n GLY 45 Ca -0.17 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 2jgq n GLY 45 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jgq s LEU 46 N -2.92 2.89 0.15 0.99 0.05 -1.07 -3.68 118.68 115.09 2jgq s LEU 46 Ca 0.07 -0.15 -0.06 0.00 0.05 0.00 0.00 54.13 54.04 2jgq s LEU 46 Cb 0.09 -2.11 -0.02 0.00 -2.05 0.00 0.00 46.19 42.10 2jgq s LEU 46 CO 0.23 -2.12 0.20 -0.76 -0.55 0.00 0.00 176.35 173.34 2jgq s LEU 47 N -5.38 1.27 0.25 1.48 1.43 -1.26 -4.93 118.68 111.54 2jgq s LEU 47 Ca 0.68 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 2jgq s LEU 47 Cb -0.05 0.88 -0.14 0.00 0.03 0.00 0.00 46.19 46.91 2jgq s LEU 47 CO 0.47 -0.83 1.21 -2.65 0.23 0.00 0.00 176.35 174.78 2jgq n PRO 48 N -0.16 1.59 -2.36 1.29 -0.02 -1.26 -4.80 135.00 129.28 2jgq n PRO 48 Ca -0.07 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 2jgq n PRO 48 Cb 0.63 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 2jgq n PRO 48 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2jgq s ASN 49 N -0.12 5.97 -0.05 2.55 2.47 0.12 -4.63 114.94 121.25 2jgq s ASN 49 Ca 0.65 -1.20 0.09 0.00 0.42 0.00 0.00 52.86 52.83 2jgq s ASN 49 Cb -0.71 -2.57 0.21 0.00 -1.45 0.00 0.00 41.25 36.73 2jgq s ASN 49 CO 0.55 -2.00 1.15 -1.54 -3.72 0.00 0.00 177.10 171.55 2jgq n SER 50 N 10.90 2.56 -4.71 -4.21 3.41 -1.26 -4.85 113.62 115.46 2jgq n SER 50 Ca 0.36 -2.39 -0.42 0.00 -0.26 0.00 0.00 58.87 56.17 2jgq n SER 50 Cb 0.49 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2jgq n SER 50 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jgq s PHE 51 N -1.68 3.61 -0.88 7.33 0.08 -1.26 -4.94 117.98 120.24 2jgq s PHE 51 Ca 0.19 1.62 0.09 0.00 0.12 0.00 0.00 56.93 58.95 2jgq s PHE 51 Cb 0.14 -3.18 0.01 0.00 -0.57 0.00 0.00 43.02 39.42 2jgq s PHE 51 CO 0.06 -0.26 0.63 1.28 -0.10 0.00 0.00 175.22 176.82 2jgq n LEU 52 N 3.92 1.24 -0.48 -0.37 4.77 -1.26 -4.60 117.00 120.23 2jgq n LEU 52 Ca 0.07 -0.80 0.05 0.00 -0.03 0.00 0.00 56.01 55.29 2jgq n LEU 52 Cb 0.50 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.68 2jgq n LEU 52 CO 0.53 0.25 0.51 1.41 -1.33 0.00 0.00 177.39 178.76 2jgq n HIS 53 N -0.15 0.21 -3.54 -1.77 8.25 -1.26 -4.39 115.22 112.57 2jgq n HIS 53 Ca 0.04 -0.26 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 2jgq n HIS 53 Cb 0.20 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 2jgq n HIS 53 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2jgq s PHE 54 N -0.91 -0.28 -0.19 4.41 -0.12 -1.26 -3.23 117.98 116.40 2jgq s PHE 54 Ca 0.16 0.21 -0.13 0.00 -0.05 0.00 0.00 56.93 57.11 2jgq s PHE 54 Cb 0.09 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.96 2jgq s PHE 54 CO 0.13 -0.41 0.28 0.99 -0.05 0.00 0.00 175.22 176.16 2jgq s THR 55 N -2.70 5.30 -0.10 -4.49 2.01 -0.16 -4.81 115.64 110.69 2jgq s THR 55 Ca 0.06 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 2jgq s THR 55 Cb -0.01 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2jgq s THR 55 CO -0.07 0.35 0.42 -0.22 -0.69 0.00 0.00 174.62 174.41 2jgq s LEU 56 N 0.80 4.31 0.16 4.42 2.96 -1.26 -1.66 118.68 128.41 2jgq s LEU 56 Ca 0.15 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.82 2jgq s LEU 56 Cb -0.13 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2jgq s LEU 56 CO 0.05 0.09 0.09 -0.83 -1.32 0.00 0.00 176.35 174.43 2jgq s GLY 57 N 0.23 1.16 0.17 7.98 0.00 -0.55 -4.37 107.32 111.93 2jgq s GLY 57 Ca 0.23 -1.55 0.07 0.00 0.00 0.00 0.00 44.72 43.47 2jgq s GLY 57 CO 0.09 -1.37 0.01 -1.34 0.00 0.00 0.00 173.10 170.50 2jgq s VAL 58 N -4.09 3.83 -0.77 1.40 -7.23 -0.78 -3.72 120.40 109.04 2jgq s VAL 58 Ca 0.30 -1.35 0.26 0.00 -1.81 0.00 0.00 61.98 59.38 2jgq s VAL 58 Cb 0.07 -2.92 0.27 0.00 0.56 0.00 0.00 36.38 34.37 2jgq s VAL 58 CO 0.06 -0.09 1.80 0.00 -0.31 0.00 0.00 175.10 176.56 2jgq n GLN 59 N -0.08 0.21 -3.60 4.82 6.02 -1.26 -2.07 117.38 121.41 2jgq n GLN 59 Ca -0.10 0.19 0.01 0.00 -0.01 0.00 0.00 57.00 57.09 2jgq n GLN 59 Cb 0.55 -1.75 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 2jgq n GLN 59 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jgq s ASN 60 N -4.21 -0.05 -0.19 1.08 2.47 -1.26 -4.50 114.94 108.29 2jgq s ASN 60 Ca 0.11 -0.08 -0.34 0.00 0.42 0.00 0.00 52.86 52.97 2jgq s ASN 60 Cb 0.13 0.11 0.14 0.00 -1.45 0.00 0.00 41.25 40.18 2jgq s ASN 60 CO 0.57 -0.20 1.20 0.00 -3.72 0.00 0.00 177.10 174.95 2jgq s ALA 61 N -2.29 -2.06 -0.07 1.71 0.00 -1.26 -4.95 121.76 112.84 2jgq s ALA 61 Ca 0.14 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.56 2jgq s ALA 61 Cb 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2jgq s ALA 61 CO -0.05 -0.56 0.34 -0.47 0.00 0.00 0.00 175.76 175.03 2jgq s TYR 62 N -2.28 3.62 -0.91 0.00 5.04 -0.09 -4.98 117.35 117.75 2jgq s TYR 62 Ca 0.09 0.81 -0.08 0.00 -2.44 0.00 0.00 57.07 55.45 2jgq s TYR 62 Cb -0.01 -2.27 -0.06 0.00 0.35 0.00 0.00 41.96 39.97 2jgq s TYR 62 CO -0.05 0.52 2.09 -0.35 -1.34 0.00 0.00 175.55 176.42 2jgq n PRO 63 N 2.44 2.03 -3.68 4.97 -0.04 -1.26 -4.19 135.00 135.27 2jgq n PRO 63 Ca -0.14 -1.51 -0.12 0.00 -0.04 0.00 0.00 63.50 61.69 2jgq n PRO 63 Cb 0.53 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 2jgq n PRO 63 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jgq s ARG 64 N 3.59 0.94 0.24 0.54 1.81 -1.26 -4.99 118.95 119.82 2jgq s ARG 64 Ca 0.42 -0.48 0.01 0.00 -1.72 0.00 0.00 55.73 53.95 2jgq s ARG 64 Cb 0.11 0.41 0.28 0.00 -0.45 0.00 0.00 34.95 35.30 2jgq s ARG 64 CO -0.02 -0.33 1.62 -0.44 -0.68 0.00 0.00 175.30 175.45 2jgq h ASP 65 N 2.88 0.48 0.00 0.23 3.32 -1.95 -1.06 116.42 120.33 2jgq h ASP 65 Ca -0.32 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2jgq h ASP 65 Cb 1.22 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2jgq h ASP 65 CO 0.45 0.85 0.00 0.00 -1.72 0.00 0.00 179.24 178.82 2jgq n GLY 67 N -0.26 0.38 3.06 0.00 0.00 -1.26 -4.98 105.19 102.13 2jgq n GLY 67 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2jgq n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgq n ALA 68 N -0.70 4.21 -3.42 4.61 0.00 -1.26 -4.73 120.51 119.23 2jgq n ALA 68 Ca 0.00 -3.63 -0.26 0.00 0.00 0.00 0.00 53.44 49.55 2jgq n ALA 68 Cb 0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 15.79 2jgq n ALA 68 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jgq n PHE 69 N 7.69 0.73 -1.64 0.00 3.72 -1.26 -5.10 117.46 121.60 2jgq n PHE 69 Ca 0.50 -3.70 -0.52 0.00 -0.05 0.00 0.00 57.45 53.68 2jgq n PHE 69 Cb 0.41 -0.22 -0.06 0.00 -0.94 0.00 0.00 39.48 38.67 2jgq n PHE 69 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2jgq n THR 70 N 1.88 0.11 -0.01 4.37 -1.04 -1.26 -1.46 114.28 116.87 2jgq n THR 70 Ca 0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2jgq n THR 70 Cb 0.46 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 2jgq n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jgq n GLY 71 N 3.17 1.85 3.94 3.41 0.00 -1.26 -5.04 105.19 111.26 2jgq n GLY 71 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 2jgq n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jgq s GLU 72 N -0.38 3.33 -0.04 1.61 0.41 -0.54 -5.12 118.70 117.97 2jgq s GLU 72 Ca 0.00 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 53.77 2jgq s GLU 72 Cb 0.00 -2.82 -0.03 0.00 -1.78 0.00 0.00 34.13 29.50 2jgq s GLU 72 CO 0.00 0.43 -0.11 0.42 -0.49 0.00 0.00 175.26 175.51 2jgq s ILE 73 N -2.00 3.32 0.45 -1.63 1.09 -1.26 -4.98 121.20 116.18 2jgq s ILE 73 Ca 0.34 -0.69 0.04 0.00 -1.10 0.00 0.00 60.65 59.24 2jgq s ILE 73 Cb -0.09 -2.34 -0.05 0.00 -1.06 0.00 0.00 42.46 38.92 2jgq s ILE 73 CO 0.28 0.55 0.02 0.42 -0.10 0.00 0.00 174.94 176.11 2jgq s THR 74 N -0.80 1.48 0.22 2.92 -4.23 -1.26 -0.91 115.64 113.05 2jgq s THR 74 Ca 0.13 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.48 2jgq s THR 74 Cb -0.11 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.39 2jgq s THR 74 CO 0.02 0.00 1.58 -1.28 -0.54 0.00 0.00 174.62 174.40 2jgq h SER 75 N 1.62 -1.03 -0.51 3.99 0.87 -1.25 -1.54 113.55 115.70 2jgq h SER 75 Ca -0.43 0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.41 2jgq h SER 75 Cb 1.28 0.58 -0.03 0.00 -0.44 0.00 0.00 62.40 63.78 2jgq h SER 75 CO 0.76 -0.28 0.34 0.11 -0.53 0.00 0.00 176.83 177.22 2jgq h LYS 76 N -0.06 0.54 -0.75 2.24 1.57 -1.50 -1.80 116.57 116.81 2jgq h LYS 76 Ca 0.32 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2jgq h LYS 76 Cb 0.57 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 2jgq h LYS 76 CO -0.80 0.36 0.41 0.45 -0.57 0.00 0.00 179.45 179.30 2jgq h HIS 77 N 0.56 1.03 0.00 -1.35 3.86 -1.52 -1.93 115.15 115.80 2jgq h HIS 77 Ca 0.21 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 2jgq h HIS 77 Cb 0.12 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2jgq h HIS 77 CO -0.00 0.73 -0.53 -0.07 0.86 0.00 0.00 177.93 178.92 2jgq h LEU 78 N 1.04 0.00 -0.54 2.43 3.38 -1.27 -2.82 115.31 117.53 2jgq h LEU 78 Ca 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 2jgq h LEU 78 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2jgq h LEU 78 CO -0.04 0.53 -0.24 -0.08 0.09 0.00 0.00 178.44 178.70 2jgq h GLU 79 N 0.00 0.93 -0.66 1.13 4.81 -0.87 0.41 114.58 120.33 2jgq h GLU 79 Ca -0.01 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 2jgq h GLU 79 Cb 0.94 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 2jgq h GLU 79 CO 0.07 1.06 0.19 0.93 -0.73 0.00 0.00 179.01 180.53 2jgq h GLU 80 N 0.80 1.01 -0.00 1.92 5.08 -1.18 -1.47 114.58 120.73 2jgq h GLU 80 Ca 0.10 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jgq h GLU 80 Cb 0.80 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2jgq h GLU 80 CO 0.07 0.88 -0.09 1.28 -1.00 0.00 0.00 179.01 180.14 2jgq n LEU 81 N -4.26 0.49 -3.52 1.33 4.77 -1.07 -4.92 117.00 109.82 2jgq n LEU 81 Ca 0.05 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 2jgq n LEU 81 Cb 0.22 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 2jgq n LEU 81 CO 0.41 0.09 0.15 0.29 -1.33 0.00 0.00 177.39 176.99 2jgq n LYS 82 N -0.89 -6.96 -4.37 3.23 5.02 0.33 -0.70 118.16 113.82 2jgq n LYS 82 Ca 0.16 0.82 -0.34 0.00 -2.02 0.00 0.00 58.31 56.93 2jgq n LYS 82 Cb 0.27 -5.82 -0.13 0.00 -0.02 0.00 0.00 35.03 29.32 2jgq n LYS 82 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jgq s ILE 83 N -3.36 3.64 -0.16 -0.18 1.01 0.12 -4.65 121.20 117.61 2jgq s ILE 83 Ca 0.22 -0.44 0.23 0.00 0.00 0.00 0.00 60.65 60.66 2jgq s ILE 83 Cb -0.10 -2.60 0.47 0.00 0.01 0.00 0.00 42.46 40.25 2jgq s ILE 83 CO 0.74 0.48 1.14 0.00 0.00 0.00 0.00 174.94 177.30 2jgq n HIS 84 N 3.81 0.84 -4.25 3.97 1.44 -1.26 -4.40 115.22 115.37 2jgq n HIS 84 Ca -0.18 -1.51 -0.20 0.00 -2.01 0.00 0.00 57.72 53.82 2jgq n HIS 84 Cb 0.52 -0.21 -0.16 0.00 0.12 0.00 0.00 29.99 30.26 2jgq n HIS 84 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2jgq s THR 85 N -2.44 0.63 -0.03 0.61 2.01 -1.26 -0.56 115.64 114.60 2jgq s THR 85 Ca 0.32 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 2jgq s THR 85 Cb 0.35 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 72.26 2jgq s THR 85 CO -0.08 0.24 0.24 -0.22 -0.69 0.00 0.00 174.62 174.11 2jgq s LEU 86 N 0.72 1.11 0.04 4.42 2.96 -0.67 -1.87 118.68 125.39 2jgq s LEU 86 Ca -0.10 0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.77 2jgq s LEU 86 Cb -0.13 0.99 -0.06 0.00 0.50 0.00 0.00 46.19 47.49 2jgq s LEU 86 CO 0.01 -0.34 0.42 -0.76 -1.32 0.00 0.00 176.35 174.35 2jgq s LEU 87 N -1.02 4.43 -0.04 -0.68 1.43 -0.88 -1.44 118.68 120.48 2jgq s LEU 87 Ca -0.11 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 2jgq s LEU 87 Cb -0.05 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.43 2jgq s LEU 87 CO 0.02 0.26 0.10 -0.63 0.23 0.00 0.00 176.35 176.33 2jgq s ILE 88 N -1.21 -0.03 0.00 -0.59 1.01 -0.77 -4.32 121.20 115.29 2jgq s ILE 88 Ca 0.28 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2jgq s ILE 88 Cb -0.16 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.15 2jgq s ILE 88 CO 0.15 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2jgq n GLY 89 N 3.66 0.45 3.76 6.18 0.00 -1.26 -1.45 105.19 116.54 2jgq n GLY 89 Ca -0.20 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 2jgq n GLY 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jgq n HIS 90 N -2.96 2.92 -0.27 1.61 -0.00 -1.26 -4.44 115.22 110.82 2jgq n HIS 90 Ca 0.00 0.37 0.06 0.00 0.46 0.00 0.00 57.72 58.61 2jgq n HIS 90 Cb 0.00 -2.56 0.17 0.00 -0.12 0.00 0.00 29.99 27.48 2jgq n HIS 90 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2jgq h SER 91 N 3.66 -0.40 -0.63 0.26 0.87 -1.94 -0.40 113.55 114.97 2jgq h SER 91 Ca -0.49 0.21 0.15 0.00 -1.23 0.00 0.00 61.79 60.42 2jgq h SER 91 Cb 1.24 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 63.54 2jgq h SER 91 CO 0.70 -0.21 0.44 -0.33 -0.53 0.00 0.00 176.83 176.90 2jgq h GLU 92 N 0.08 0.21 0.11 2.24 5.08 -2.00 -1.94 114.58 118.37 2jgq h GLU 92 Ca 0.43 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.49 2jgq h GLU 92 Cb 0.77 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2jgq h GLU 92 CO -0.71 0.14 -1.46 0.00 -1.00 0.00 0.00 179.01 175.98 2jgq h ARG 93 N 0.22 0.23 -0.65 2.33 3.08 -1.43 -2.28 114.38 115.87 2jgq h ARG 93 Ca 0.30 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2jgq h ARG 93 Cb 0.89 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 2jgq h ARG 93 CO -0.06 1.10 0.31 0.00 -1.07 0.00 0.00 179.97 180.25 2jgq h ARG 94 N 0.06 0.94 0.00 0.04 3.08 -0.98 -2.06 114.38 115.47 2jgq h ARG 94 Ca -0.21 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2jgq h ARG 94 Cb 1.99 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.88 2jgq h ARG 94 CO 0.16 0.76 -0.41 1.79 -1.07 0.00 0.00 179.97 181.20 2jgq h THR 95 N 0.91 0.00 -0.69 2.04 1.35 -1.51 -2.72 112.91 112.29 2jgq h THR 95 Ca 0.22 -0.85 -0.05 0.00 -0.55 0.00 0.00 66.41 65.18 2jgq h THR 95 Cb 0.13 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.52 2jgq h THR 95 CO -0.03 0.00 0.22 -0.07 -0.25 0.00 0.00 175.52 175.40 2jgq h LEU 96 N -0.85 1.00 -2.01 3.87 3.38 -1.58 -2.93 115.31 116.19 2jgq h LEU 96 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jgq h LEU 96 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jgq h LEU 96 CO 0.00 0.94 0.00 0.18 0.09 0.00 0.00 178.44 179.65 2jgq n LEU 97 N -4.32 3.02 -3.77 1.67 7.99 -0.87 -4.99 117.00 115.73 2jgq n LEU 97 Ca 0.05 -1.25 -0.25 0.00 -0.01 0.00 0.00 56.01 54.56 2jgq n LEU 97 Cb 0.22 -0.18 0.02 0.00 -0.11 0.00 0.00 43.42 43.36 2jgq n LEU 97 CO 0.41 0.62 -0.13 0.29 -1.51 0.00 0.00 177.39 177.08 2jgq n LYS 98 N 1.23 -3.43 -2.98 3.23 5.02 -0.83 -4.93 118.16 115.48 2jgq n LYS 98 Ca 0.18 0.51 -0.43 0.00 -2.02 0.00 0.00 58.31 56.55 2jgq n LYS 98 Cb 0.55 -4.73 -0.05 0.00 -0.02 0.00 0.00 35.03 30.77 2jgq n LYS 98 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jgq s GLU 99 N -6.13 3.36 0.76 1.97 2.02 -0.96 -4.99 118.70 114.74 2jgq s GLU 99 Ca 0.12 -0.20 -0.11 0.00 0.02 0.00 0.00 54.97 54.80 2jgq s GLU 99 Cb -0.04 -3.96 0.05 0.00 0.10 0.00 0.00 34.13 30.28 2jgq s GLU 99 CO 0.85 -1.15 1.08 -1.54 0.02 0.00 0.00 175.26 174.52 2jgq s SER 100 N 2.23 4.78 0.26 -0.19 1.04 -1.26 -4.55 113.70 116.00 2jgq s SER 100 Ca 0.28 1.54 -0.03 0.00 0.48 0.00 0.00 55.95 58.22 2jgq s SER 100 Cb -0.13 -2.32 0.41 0.00 0.10 0.00 0.00 66.02 64.08 2jgq s SER 100 CO 0.21 -1.82 1.85 -0.65 0.98 0.00 0.00 173.24 173.81 2jgq h PRO 101 N -0.98 0.98 -0.13 4.02 0.11 -1.99 0.46 132.00 134.47 2jgq h PRO 101 Ca -0.45 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2jgq h PRO 101 Cb 1.24 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2jgq h PRO 101 CO 0.56 0.65 -0.23 0.66 -0.21 0.00 0.00 178.00 179.43 2jgq h SER 102 N 1.01 0.22 -0.16 -2.05 4.64 -1.97 0.12 113.55 115.36 2jgq h SER 102 Ca 0.42 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.49 2jgq h SER 102 Cb 0.27 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2jgq h SER 102 CO -0.21 0.47 -0.63 0.15 -0.87 0.00 0.00 176.83 175.74 2jgq h PHE 103 N 0.21 0.94 -0.69 4.77 3.57 -1.57 -1.89 116.94 122.28 2jgq h PHE 103 Ca 0.04 -0.40 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 2jgq h PHE 103 Cb 0.53 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2jgq h PHE 103 CO 0.01 1.21 0.24 -0.07 -2.23 0.00 0.00 178.31 177.47 2jgq h LEU 104 N 0.40 0.97 -0.98 0.59 3.38 -0.53 -1.81 115.31 117.33 2jgq h LEU 104 Ca -0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2jgq h LEU 104 Cb 1.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2jgq h LEU 104 CO 0.13 0.89 -0.08 0.50 0.09 0.00 0.00 178.44 179.97 2jgq h LYS 105 N 1.02 0.65 -0.48 1.13 3.64 -0.69 0.11 116.57 121.95 2jgq h LYS 105 Ca 0.23 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jgq h LYS 105 Cb 0.25 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2jgq h LYS 105 CO -0.01 0.72 0.23 1.49 -2.27 0.00 0.00 179.45 179.61 2jgq h GLU 106 N 0.60 0.69 -0.61 1.90 4.81 -0.66 -0.49 114.58 120.81 2jgq h GLU 106 Ca 0.11 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2jgq h GLU 106 Cb 0.50 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2jgq h GLU 106 CO 0.03 0.58 0.01 0.87 -0.73 0.00 0.00 179.01 179.77 2jgq h LYS 107 N 0.63 1.07 0.49 1.92 1.57 -0.90 -1.74 116.57 119.60 2jgq h LYS 107 Ca 0.16 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2jgq h LYS 107 Cb 0.11 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2jgq h LYS 107 CO -0.02 1.03 -0.24 0.35 -0.57 0.00 0.00 179.45 180.01 2jgq h PHE 108 N 0.98 -0.61 -0.91 -1.35 3.57 -0.69 -1.88 116.94 116.05 2jgq h PHE 108 Ca 0.18 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2jgq h PHE 108 Cb 0.54 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 2jgq h PHE 108 CO 0.04 -0.32 0.60 -0.44 -2.23 0.00 0.00 178.31 175.96 2jgq h ASP 109 N -0.79 1.02 0.34 0.41 3.32 -1.09 0.13 116.42 119.76 2jgq h ASP 109 Ca -0.07 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2jgq h ASP 109 Cb 0.56 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jgq h ASP 109 CO 0.11 0.72 -0.16 0.15 -1.72 0.00 0.00 179.24 178.34 2jgq h PHE 110 N 1.20 -0.42 0.00 4.55 3.57 -1.25 -2.49 116.94 122.09 2jgq h PHE 110 Ca 0.34 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2jgq h PHE 110 Cb -0.08 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2jgq h PHE 110 CO -0.00 -0.14 0.00 0.74 -2.23 0.00 0.00 178.31 176.68 2jgq h PHE 111 N -0.66 0.00 -0.06 0.41 0.04 -1.23 -2.92 116.94 112.52 2jgq h PHE 111 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2jgq h PHE 111 Cb 0.47 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 2jgq h PHE 111 CO -0.00 0.00 0.00 -0.22 -0.60 0.00 0.00 178.31 177.49 2jgq h LYS 112 N 0.00 0.10 -0.68 1.51 3.64 -0.64 -1.85 116.57 118.65 2jgq h LYS 112 Ca 0.00 -0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.52 2jgq h LYS 112 Cb 0.62 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2jgq h LYS 112 CO 0.00 0.37 0.48 0.77 -2.27 0.00 0.00 179.45 178.79 2jgq h SER 113 N -0.18 0.13 -0.46 4.20 0.02 -1.25 0.66 113.55 116.67 2jgq h SER 113 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2jgq h SER 113 Cb 0.32 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2jgq h SER 113 CO 0.00 0.07 0.00 0.29 -1.14 0.00 0.00 176.83 176.05 2jgq n LYS 114 N -4.39 2.60 -2.17 3.45 5.02 -1.00 -4.93 118.16 116.73 2jgq n LYS 114 Ca 0.13 -1.89 -0.20 0.00 -2.02 0.00 0.00 58.31 54.33 2jgq n LYS 114 Cb 0.65 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2jgq n LYS 114 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jgq n ASN 115 N 0.79 -5.64 -4.77 4.39 3.02 0.22 -4.97 115.26 108.30 2jgq n ASN 115 Ca 0.17 0.12 -0.36 0.00 -0.03 0.00 0.00 54.58 54.48 2jgq n ASN 115 Cb 0.56 -4.73 -0.01 0.00 -0.61 0.00 0.00 39.78 34.99 2jgq n ASN 115 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jgq s PHE 116 N -2.93 2.83 -0.16 3.10 0.40 -0.73 -4.97 117.98 115.52 2jgq s PHE 116 Ca 0.00 1.54 -0.28 0.00 -0.60 0.00 0.00 56.93 57.60 2jgq s PHE 116 Cb 0.00 -3.33 -0.01 0.00 0.51 0.00 0.00 43.02 40.19 2jgq s PHE 116 CO 0.00 -1.46 0.94 0.21 0.70 0.00 0.00 175.22 175.61 2jgq s LYS 117 N -2.90 4.33 -0.15 0.44 2.20 0.27 -4.80 119.74 119.14 2jgq s LYS 117 Ca 0.66 1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 57.46 2jgq s LYS 117 Cb -0.26 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 2jgq s LYS 117 CO 0.31 -0.39 -0.02 0.42 -0.36 0.00 0.00 175.35 175.31 2jgq s ILE 118 N 2.35 4.07 -0.62 5.43 -1.09 -0.17 -1.67 121.20 129.50 2jgq s ILE 118 Ca 0.43 -0.30 -0.05 0.00 -2.23 0.00 0.00 60.65 58.50 2jgq s ILE 118 Cb -0.17 -2.79 0.16 0.00 -1.58 0.00 0.00 42.46 38.09 2jgq s ILE 118 CO 0.13 0.50 0.46 -0.69 -1.23 0.00 0.00 174.94 174.10 2jgq s VAL 119 N 0.26 4.03 -0.24 2.92 1.01 -0.52 0.32 120.40 128.18 2jgq s VAL 119 Ca -0.02 -2.66 -0.25 0.00 0.00 0.00 0.00 61.98 59.05 2jgq s VAL 119 Cb -0.14 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2jgq s VAL 119 CO 0.02 -0.87 0.84 -0.47 0.00 0.00 0.00 175.10 174.62 2jgq s TYR 120 N 0.25 3.31 0.00 5.22 5.04 0.61 -1.85 117.35 129.94 2jgq s TYR 120 Ca 0.15 1.14 -0.11 0.00 -2.44 0.00 0.00 57.07 55.82 2jgq s TYR 120 Cb -0.20 -3.07 -0.05 0.00 0.35 0.00 0.00 41.96 39.00 2jgq s TYR 120 CO -0.04 -0.41 0.33 0.00 -1.34 0.00 0.00 175.55 174.09 2jgq s ILE 122 N -1.20 0.07 0.00 0.00 -4.36 -0.69 -4.64 121.20 110.39 2jgq s ILE 122 Ca 0.25 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 2jgq s ILE 122 Cb -0.14 -0.50 0.00 0.00 1.25 0.00 0.00 42.46 43.06 2jgq s ILE 122 CO 0.14 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.59 2jgq n GLY 123 N 1.37 1.51 3.94 6.27 0.00 -1.26 -0.34 105.19 116.68 2jgq n GLY 123 Ca -0.22 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 2jgq n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jgq s GLU 124 N -1.37 3.50 0.74 1.61 1.03 -1.26 -4.57 118.70 118.38 2jgq s GLU 124 Ca 0.00 -0.37 -0.11 0.00 0.03 0.00 0.00 54.97 54.53 2jgq s GLU 124 Cb 0.00 -2.73 0.04 0.00 -0.80 0.00 0.00 34.13 30.63 2jgq s GLU 124 CO 0.00 0.25 1.08 -1.21 -1.33 0.00 0.00 175.26 174.05 2jgq s GLU 125 N -3.97 2.53 0.29 -4.83 0.41 -1.26 -2.32 118.70 109.56 2jgq s GLU 125 Ca 0.39 1.01 -0.02 0.00 -0.41 0.00 0.00 54.97 55.94 2jgq s GLU 125 Cb -0.10 -1.94 0.42 0.00 -1.78 0.00 0.00 34.13 30.73 2jgq s GLU 125 CO 0.33 -1.40 1.94 1.25 -0.49 0.00 0.00 175.26 176.89 2jgq h LEU 126 N -0.94 0.93 -1.05 1.80 5.85 -1.96 -2.10 115.31 117.84 2jgq h LEU 126 Ca -0.44 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.32 2jgq h LEU 126 Cb 1.23 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 2jgq h LEU 126 CO 0.55 0.71 0.63 0.00 -0.34 0.00 0.00 178.44 179.99 2jgq h THR 127 N 1.08 1.02 -0.30 1.05 1.03 -1.99 0.12 112.91 114.92 2jgq h THR 127 Ca 0.28 -0.37 -0.13 0.00 -0.01 0.00 0.00 66.41 66.18 2jgq h THR 127 Cb -0.05 -0.15 -0.00 0.00 -1.07 0.00 0.00 68.15 66.88 2jgq h THR 127 CO -0.05 0.20 -0.33 0.74 -0.01 0.00 0.00 175.52 176.07 2jgq h THR 128 N 1.07 1.30 -0.51 0.00 2.02 -1.76 -2.80 112.91 112.22 2jgq h THR 128 Ca 0.45 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 2jgq h THR 128 Cb 0.30 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2jgq h THR 128 CO -0.20 0.48 0.19 -0.09 0.37 0.00 0.00 175.52 176.28 2jgq h ARG 129 N 0.50 0.74 -0.22 6.66 9.65 -0.87 -2.72 114.38 128.11 2jgq h ARG 129 Ca 0.04 -0.11 0.05 0.00 -1.10 0.00 0.00 59.98 58.86 2jgq h ARG 129 Cb 0.91 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.31 2jgq h ARG 129 CO 0.08 0.62 -0.07 0.93 2.80 0.00 0.00 179.97 184.33 2jgq h GLU 130 N 0.73 -0.02 0.06 0.20 4.39 -0.53 -3.03 114.58 116.37 2jgq h GLU 130 Ca 0.17 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.89 2jgq h GLU 130 Cb 0.17 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2jgq h GLU 130 CO -0.01 -0.02 -0.44 0.87 -1.16 0.00 0.00 179.01 178.25 2jgq h LYS 131 N -0.02 -0.57 0.00 2.33 1.57 -1.29 -3.48 116.57 115.10 2jgq h LYS 131 Ca 0.11 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2jgq h LYS 131 Cb 0.19 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2jgq h LYS 131 CO -0.24 -0.38 0.00 0.41 -0.57 0.00 0.00 179.45 178.67 2jgq n GLY 132 N -1.39 2.61 0.39 3.86 0.00 -1.15 -4.94 105.19 104.58 2jgq n GLY 132 Ca -0.07 -0.94 0.18 0.00 0.00 0.00 0.00 46.02 45.19 2jgq n GLY 132 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jgq h PHE 133 N 0.00 0.65 -0.13 1.61 -0.00 -1.88 0.54 116.94 117.73 2jgq h PHE 133 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 57.94 2jgq h PHE 133 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 35.95 35.74 2jgq h PHE 133 CO 0.00 0.17 -0.15 -0.22 -0.00 0.00 0.00 178.31 178.11 2jgq h LYS 134 N 0.48 0.20 -0.08 1.11 3.64 -1.95 -0.79 116.57 119.19 2jgq h LYS 134 Ca 0.49 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 2jgq h LYS 134 Cb 1.12 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2jgq h LYS 134 CO -0.21 0.36 -0.02 0.00 -2.27 0.00 0.00 179.45 177.31 2jgq h ALA 135 N 1.66 0.10 -0.67 5.00 0.00 -0.22 -2.63 119.26 122.51 2jgq h ALA 135 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2jgq h ALA 135 Cb 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jgq h ALA 135 CO 0.02 -0.18 0.16 -0.39 0.00 0.00 0.00 179.25 178.86 2jgq h VAL 136 N -0.19 1.26 -0.81 0.00 -1.51 -1.13 -1.27 116.25 112.59 2jgq h VAL 136 Ca 0.02 -0.96 0.05 0.00 -1.23 0.00 0.00 66.70 64.58 2jgq h VAL 136 Cb 0.41 0.60 -0.05 0.00 -2.13 0.00 0.00 31.29 30.12 2jgq h VAL 136 CO 0.01 0.36 0.51 0.11 -1.23 0.00 0.00 177.57 177.33 2jgq h LYS 137 N 1.00 0.93 -0.29 5.19 1.57 -1.15 0.35 116.57 124.18 2jgq h LYS 137 Ca 0.21 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.74 2jgq h LYS 137 Cb 0.37 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jgq h LYS 137 CO 0.00 0.62 -0.56 0.93 -0.57 0.00 0.00 179.45 179.88 2jgq h GLU 138 N 0.96 0.88 -0.20 3.15 5.08 -1.23 -1.82 114.58 121.40 2jgq h GLU 138 Ca 0.34 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2jgq h GLU 138 Cb 0.09 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2jgq h GLU 138 CO -0.14 1.20 0.03 0.35 -1.00 0.00 0.00 179.01 179.44 2jgq h PHE 139 N 0.67 0.35 -0.67 4.33 3.57 -0.63 -2.45 116.94 122.11 2jgq h PHE 139 Ca 0.01 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2jgq h PHE 139 Cb 1.17 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 2jgq h PHE 139 CO 0.07 0.48 0.38 -0.07 -2.23 0.00 0.00 178.31 176.95 2jgq h LEU 140 N 0.12 0.83 -0.52 0.59 3.38 -0.35 -2.54 115.31 116.83 2jgq h LEU 140 Ca 0.06 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2jgq h LEU 140 Cb 0.32 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2jgq h LEU 140 CO 0.00 0.67 0.21 0.28 0.09 0.00 0.00 178.44 179.70 2jgq h SER 141 N 0.92 0.25 -0.55 -0.43 0.02 -1.20 -0.69 113.55 111.88 2jgq h SER 141 Ca 0.24 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2jgq h SER 141 Cb 0.01 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2jgq h SER 141 CO -0.04 0.17 0.31 -0.08 -1.14 0.00 0.00 176.83 176.06 2jgq h GLU 142 N 0.41 0.77 -0.22 3.45 4.81 -1.11 0.11 114.58 122.80 2jgq h GLU 142 Ca 0.24 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 2jgq h GLU 142 Cb 0.23 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2jgq h GLU 142 CO -0.22 0.57 -0.40 1.96 -0.73 0.00 0.00 179.01 180.19 2jgq h GLN 143 N 0.78 0.51 0.00 1.92 4.20 -0.80 -2.74 115.11 118.98 2jgq h GLN 143 Ca 0.20 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2jgq h GLN 143 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2jgq h GLN 143 CO -0.03 0.83 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.62 2jgq h LEU 144 N 0.43 0.00 -2.82 1.46 3.38 -0.44 -3.01 115.31 114.30 2jgq h LEU 144 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jgq h LEU 144 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2jgq h LEU 144 CO 0.07 0.27 0.04 -0.08 0.09 0.00 0.00 178.44 178.84 2jgq h GLU 145 N 0.00 0.00 -0.00 1.13 4.57 -0.49 -2.86 114.58 116.93 2jgq h GLU 145 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jgq h GLU 145 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2jgq h GLU 145 CO 0.03 0.00 -0.01 -1.71 -1.18 0.00 0.00 179.01 176.14 2jgq n ASN 146 N -3.14 0.07 -2.46 1.04 5.15 -1.14 -4.94 115.26 109.84 2jgq n ASN 146 Ca -0.03 -0.53 -0.13 0.00 -0.60 0.00 0.00 54.58 53.29 2jgq n ASN 146 Cb 0.11 -0.15 -0.05 0.00 -0.53 0.00 0.00 39.78 39.16 2jgq n ASN 146 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2jgq n ILE 147 N -1.12 0.00 -3.27 -1.44 -5.35 -1.08 -4.68 119.36 102.42 2jgq n ILE 147 Ca 0.18 -1.58 -0.45 0.00 -0.27 0.00 0.00 62.75 60.63 2jgq n ILE 147 Cb 0.20 0.80 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 2jgq n ILE 147 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jgq s ASP 148 N -2.53 6.18 0.37 7.28 2.15 -1.26 -4.93 116.67 123.93 2jgq s ASP 148 Ca 0.26 -1.39 0.27 0.00 0.43 0.00 0.00 52.55 52.12 2jgq s ASP 148 Cb 0.01 -2.23 1.30 0.00 -0.30 0.00 0.00 42.92 41.69 2jgq s ASP 148 CO 0.18 -0.84 1.81 -0.07 -0.17 0.00 0.00 175.17 176.08 2jgq h LEU 149 N 9.22 0.00 -0.73 -1.34 3.38 -1.98 -2.50 115.31 121.36 2jgq h LEU 149 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jgq h LEU 149 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jgq h LEU 149 CO 0.98 0.00 -0.19 0.59 0.09 0.00 0.00 178.44 179.91 2jgq n ASN 150 N -2.45 1.32 -4.62 -0.43 5.03 -1.26 -4.41 115.26 108.45 2jgq n ASN 150 Ca -0.00 -1.16 -0.50 0.00 0.87 0.00 0.00 54.58 53.79 2jgq n ASN 150 Cb 0.13 0.12 -0.06 0.00 -1.02 0.00 0.00 39.78 38.95 2jgq n ASN 150 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jgq n TYR 151 N -0.28 2.06 -0.12 3.10 9.36 -0.95 -4.83 117.16 125.50 2jgq n TYR 151 Ca 0.14 0.15 0.21 0.00 3.32 0.00 0.00 57.90 61.73 2jgq n TYR 151 Cb 0.37 -2.60 0.64 0.00 -0.63 0.00 0.00 39.34 37.12 2jgq n TYR 151 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2jgq h PRO 152 N 10.24 0.13 -0.91 2.98 0.11 -1.92 -2.48 132.00 140.16 2jgq h PRO 152 Ca -0.42 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.20 2jgq h PRO 152 Cb 1.29 -0.03 -0.28 0.00 0.11 0.00 0.00 31.00 32.09 2jgq h PRO 152 CO 0.97 0.09 0.56 -1.71 -0.21 0.00 0.00 178.00 177.70 2jgq n ASN 153 N -4.39 3.78 -4.86 -2.05 2.85 -1.26 -4.98 115.26 104.35 2jgq n ASN 153 Ca 0.14 -3.65 -0.36 0.00 -0.11 0.00 0.00 54.58 50.61 2jgq n ASN 153 Cb 0.71 -0.82 -0.06 0.00 1.24 0.00 0.00 39.78 40.85 2jgq n ASN 153 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2jgq s LEU 154 N -3.32 4.38 -0.04 1.20 2.96 -0.93 -1.00 118.68 121.92 2jgq s LEU 154 Ca 0.56 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 2jgq s LEU 154 Cb 0.47 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 44.33 2jgq s LEU 154 CO 0.09 0.22 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.62 2jgq s VAL 155 N -1.31 0.40 -0.13 1.68 1.01 0.15 -4.20 120.40 118.00 2jgq s VAL 155 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 2jgq s VAL 155 Cb -0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2jgq s VAL 155 CO 0.16 0.20 0.04 -0.69 0.00 0.00 0.00 175.10 174.81 2jgq s VAL 156 N 1.07 4.60 -0.26 2.92 1.01 -0.64 -0.28 120.40 128.82 2jgq s VAL 156 Ca -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2jgq s VAL 156 Cb -0.14 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.30 2jgq s VAL 156 CO -0.01 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.54 2jgq s ALA 157 N -0.39 2.59 -0.28 5.51 0.00 0.16 -0.30 121.76 129.06 2jgq s ALA 157 Ca 0.08 -1.74 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 2jgq s ALA 157 Cb -0.12 -1.61 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 2jgq s ALA 157 CO 0.02 -1.16 0.80 -0.47 0.00 0.00 0.00 175.76 174.94 2jgq s TYR 158 N 1.13 3.25 -0.34 0.00 5.04 0.36 -1.70 117.35 125.08 2jgq s TYR 158 Ca -0.08 0.94 -0.01 0.00 -2.44 0.00 0.00 57.07 55.49 2jgq s TYR 158 Cb -0.20 -3.14 0.12 0.00 0.35 0.00 0.00 41.96 39.09 2jgq s TYR 158 CO -0.05 -0.49 0.17 -2.00 -1.34 0.00 0.00 175.55 171.84 2jgq s GLU 159 N 2.90 0.64 -0.22 4.97 2.12 0.53 -1.78 118.70 127.87 2jgq s GLU 159 Ca 0.33 -1.20 -0.35 0.00 0.36 0.00 0.00 54.97 54.11 2jgq s GLU 159 Cb -0.15 -1.62 -0.12 0.00 0.26 0.00 0.00 34.13 32.51 2jgq s GLU 159 CO 0.10 -1.10 1.98 -2.30 -0.54 0.00 0.00 175.26 173.40 2jgq n PRO 160 N 4.43 1.62 -0.34 4.30 -0.02 -1.25 -4.16 135.00 139.57 2jgq n PRO 160 Ca 0.04 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 2jgq n PRO 160 Cb 0.39 -2.53 0.33 0.00 -0.02 0.00 0.00 33.50 31.67 2jgq n PRO 160 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2jgq h ILE 161 N 6.07 0.60 0.00 4.25 1.08 -1.71 0.33 117.51 128.13 2jgq h ILE 161 Ca -0.41 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2jgq h ILE 161 Cb 1.29 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2jgq h ILE 161 CO 0.97 0.11 0.00 -2.67 -0.69 0.00 0.00 178.15 175.88 2jgq n TRP 162 N -4.87 0.00 0.35 1.37 4.27 -1.26 -2.33 117.44 114.97 2jgq n TRP 162 Ca 0.24 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.90 2jgq n TRP 162 Cb 0.64 -0.24 0.06 0.00 -1.36 0.00 0.00 31.31 30.40 2jgq n TRP 162 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgq n ALA 163 N -1.24 2.44 -2.62 -1.67 0.00 0.11 -4.92 120.51 112.61 2jgq n ALA 163 Ca 0.09 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2jgq n ALA 163 Cb 0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 2jgq n ALA 163 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jgq s ILE 164 N -0.89 4.59 0.00 0.00 1.01 -0.98 -2.36 121.20 122.57 2jgq s ILE 164 Ca 0.14 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.17 2jgq s ILE 164 Cb 0.09 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2jgq s ILE 164 CO 0.13 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.22 2jgq n GLY 165 N 4.17 0.58 0.00 6.18 0.00 -1.26 -4.96 105.19 109.90 2jgq n GLY 165 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2jgq n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jgq n THR 166 N -3.48 0.00 0.00 2.61 -2.24 -1.26 -5.06 114.28 104.85 2jgq n THR 166 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jgq n THR 166 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2jgq n THR 166 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jgq n LYS 167 N 0.00 0.00 -4.64 -0.78 4.76 -1.26 -4.76 118.16 111.47 2jgq n LYS 167 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 2jgq n LYS 167 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 2jgq n LYS 167 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jgq s SER 169 N 0.00 4.20 0.56 4.39 0.15 -1.26 -5.73 113.70 116.02 2jgq s SER 169 Ca 0.00 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.21 2jgq s SER 169 Cb 0.00 -0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 63.39 2jgq s SER 169 CO 0.00 0.29 1.22 0.00 1.20 0.00 0.00 173.24 175.95 2jgq s ALA 170 N -0.90 2.67 0.64 5.45 0.00 -1.26 -4.98 121.76 123.38 2jgq s ALA 170 Ca 0.15 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 2jgq s ALA 170 Cb -0.11 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2jgq s ALA 170 CO 0.05 -1.09 1.11 -1.54 0.00 0.00 0.00 175.76 174.29 2jgq s SER 171 N -1.47 5.22 0.44 0.00 1.04 -1.26 -4.87 113.70 112.80 2jgq s SER 171 Ca 0.74 2.02 0.10 0.00 0.48 0.00 0.00 55.95 59.29 2jgq s SER 171 Cb -0.31 -2.55 0.98 0.00 0.10 0.00 0.00 66.02 64.24 2jgq s SER 171 CO 0.35 -1.55 2.08 -0.07 0.98 0.00 0.00 173.24 175.02 2jgq h LEU 172 N 0.21 0.34 0.21 2.42 3.38 -1.99 -1.66 115.31 118.23 2jgq h LEU 172 Ca -0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2jgq h LEU 172 Cb 1.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2jgq h LEU 172 CO 0.55 0.24 -0.10 -0.33 0.09 0.00 0.00 178.44 178.89 2jgq h GLU 173 N 0.40 -0.28 -0.12 1.13 3.07 -1.99 0.11 114.58 116.90 2jgq h GLU 173 Ca 0.12 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.95 2jgq h GLU 173 Cb 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2jgq h GLU 173 CO -0.03 -0.08 -0.15 -0.44 -1.40 0.00 0.00 179.01 176.91 2jgq h ASP 174 N -0.42 0.18 -0.11 1.42 3.32 -1.82 -0.67 116.42 118.32 2jgq h ASP 174 Ca -0.03 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 2jgq h ASP 174 Cb 0.32 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2jgq h ASP 174 CO 0.05 0.36 -0.20 0.40 -1.72 0.00 0.00 179.24 178.12 2jgq h ILE 175 N 0.18 1.39 -0.59 0.35 2.04 -1.13 0.77 117.51 120.52 2jgq h ILE 175 Ca 0.04 -1.47 0.05 0.00 1.00 0.00 0.00 64.86 64.48 2jgq h ILE 175 Cb 0.39 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 2jgq h ILE 175 CO 0.02 0.42 0.32 0.22 0.00 0.00 0.00 178.15 179.13 2jgq h TYR 176 N -0.11 0.58 0.10 1.37 3.20 -0.45 0.46 116.97 122.11 2jgq h TYR 176 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jgq h TYR 176 Cb 0.78 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2jgq h TYR 176 CO 0.11 0.28 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.79 2jgq h LEU 177 N 0.60 -0.11 -0.78 2.82 3.38 -1.11 -0.97 115.31 119.14 2jgq h LEU 177 Ca 0.26 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2jgq h LEU 177 Cb 0.16 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2jgq h LEU 177 CO -0.17 0.48 0.45 0.74 0.09 0.00 0.00 178.44 180.02 2jgq h THR 178 N -0.78 1.23 -0.38 0.22 2.02 -0.81 -0.04 112.91 114.37 2jgq h THR 178 Ca -0.01 -0.54 -0.15 0.00 0.77 0.00 0.00 66.41 66.48 2jgq h THR 178 Cb 0.57 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2jgq h THR 178 CO 0.02 0.25 -0.35 0.45 0.37 0.00 0.00 175.52 176.26 2jgq h HIS 179 N 1.08 1.03 -0.77 3.16 3.86 -1.01 -1.04 115.15 121.46 2jgq h HIS 179 Ca 0.28 -0.29 0.10 0.00 -1.16 0.00 0.00 60.37 59.29 2jgq h HIS 179 Cb 0.00 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.18 2jgq h HIS 179 CO -0.00 1.09 0.41 0.78 0.86 0.00 0.00 177.93 181.07 2jgq h GLY 180 N 0.86 1.17 0.76 2.45 0.00 -0.48 0.14 103.07 107.97 2jgq h GLY 180 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2jgq h GLY 180 CO 0.08 0.09 0.00 -2.75 0.00 0.00 0.00 176.54 173.96 2jgq h PHE 181 N 0.69 0.21 -0.48 5.60 3.57 -0.74 -3.05 116.94 122.74 2jgq h PHE 181 Ca 0.38 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.88 2jgq h PHE 181 Cb 0.38 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2jgq h PHE 181 CO -0.09 0.44 0.32 -0.07 -2.23 0.00 0.00 178.31 176.68 2jgq h LEU 182 N -0.08 0.43 -0.17 0.59 3.38 -0.40 0.32 115.31 119.38 2jgq h LEU 182 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jgq h LEU 182 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jgq h LEU 182 CO 0.01 0.29 0.00 0.29 0.09 0.00 0.00 178.44 179.12 2jgq n LYS 183 N -4.48 0.04 0.09 1.13 4.76 0.42 -1.69 118.16 118.45 2jgq n LYS 183 Ca 0.06 0.30 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 2jgq n LYS 183 Cb 0.18 -1.59 0.15 0.00 -1.84 0.00 0.00 35.03 31.93 2jgq n LYS 183 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2jgq h GLN 184 N 0.00 0.00 0.00 1.97 4.20 -0.94 -3.38 115.11 116.96 2jgq h GLN 184 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2jgq h GLN 184 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2jgq h GLN 184 CO 0.00 0.00 -1.22 0.44 -0.67 0.00 0.00 178.83 177.38 2jgq n ILE 185 N -2.38 0.13 -2.03 2.54 -0.00 -1.06 -5.05 119.36 111.52 2jgq n ILE 185 Ca 0.03 -0.13 -0.33 0.00 -0.00 0.00 0.00 62.75 62.32 2jgq n ILE 185 Cb 0.48 -0.28 0.01 0.00 -0.00 0.00 0.00 39.64 39.84 2jgq n ILE 185 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 2jgq s LEU 186 N -3.81 3.49 0.30 7.28 1.43 -0.68 -4.99 118.68 121.71 2jgq s LEU 186 Ca -0.02 1.82 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 2jgq s LEU 186 Cb 0.02 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 2jgq s LEU 186 CO 0.16 -1.19 1.38 0.21 0.23 0.00 0.00 176.35 177.14 2jgq s ASN 187 N -2.78 6.68 0.40 2.29 3.84 -1.26 -4.88 114.94 119.23 2jgq s ASN 187 Ca 0.64 2.71 0.17 0.00 0.21 0.00 0.00 52.86 56.58 2jgq s ASN 187 Cb -0.16 -2.64 1.06 0.00 -0.55 0.00 0.00 41.25 38.96 2jgq s ASN 187 CO 0.37 -0.64 1.82 -0.61 -2.79 0.00 0.00 177.10 175.25 2jgq h GLN 188 N 4.09 0.43 -0.01 0.43 4.15 -1.94 -1.34 115.11 120.92 2jgq h GLN 188 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2jgq h GLN 188 Cb 1.22 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2jgq h GLN 188 CO 0.71 0.28 -0.07 1.63 -1.93 0.00 0.00 178.83 179.45 2jgq n LYS 189 N -4.56 0.97 -2.64 1.69 5.02 -1.26 -4.86 118.16 112.51 2jgq n LYS 189 Ca 0.21 -0.35 -0.43 0.00 -2.02 0.00 0.00 58.31 55.73 2jgq n LYS 189 Cb 0.74 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 2jgq n LYS 189 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jgq s THR 190 N -2.27 4.67 0.11 -0.18 2.01 -0.51 -4.99 115.64 114.49 2jgq s THR 190 Ca 0.35 1.97 -0.31 0.00 0.31 0.00 0.00 61.69 64.01 2jgq s THR 190 Cb 0.21 -4.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 2jgq s THR 190 CO 0.42 -0.07 1.49 -2.84 -0.69 0.00 0.00 174.62 172.93 2jgq s PRO 191 N 2.52 4.26 -0.30 4.92 0.02 -1.26 -4.90 135.00 140.27 2jgq s PRO 191 Ca 0.48 2.20 -0.03 0.00 0.02 0.00 0.00 61.00 63.66 2jgq s PRO 191 Cb -0.18 -3.31 0.04 0.00 0.02 0.00 0.00 34.50 31.08 2jgq s PRO 191 CO 0.14 -0.55 0.02 -1.17 -0.33 0.00 0.00 177.00 175.10 2jgq s LEU 192 N 1.49 3.86 0.32 -5.54 2.96 -1.26 -1.63 118.68 118.88 2jgq s LEU 192 Ca 0.68 -1.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 2jgq s LEU 192 Cb -0.39 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2jgq s LEU 192 CO 0.30 -0.25 0.48 -0.76 -1.32 0.00 0.00 176.35 174.81 2jgq s LEU 193 N 1.32 4.09 -0.04 -0.68 1.43 0.59 -0.38 118.68 125.02 2jgq s LEU 193 Ca -0.03 0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2jgq s LEU 193 Cb -0.19 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 2jgq s LEU 193 CO -0.00 -0.27 -0.24 -0.47 0.23 0.00 0.00 176.35 175.59 2jgq s TYR 194 N -2.20 2.40 0.04 0.29 5.04 0.03 -0.49 117.35 122.47 2jgq s TYR 194 Ca 0.39 -0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 54.41 2jgq s TYR 194 Cb -0.09 -1.55 0.01 0.00 0.35 0.00 0.00 41.96 40.67 2jgq s TYR 194 CO 0.33 -0.08 0.20 0.20 -1.34 0.00 0.00 175.55 174.86 2jgq s GLY 195 N -0.46 0.02 0.00 8.97 0.00 -0.73 -0.55 107.32 114.56 2jgq s GLY 195 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2jgq s GLY 195 CO 0.01 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.29 2jgq n GLY 196 N 0.69 1.58 2.30 0.20 0.00 -1.25 -3.97 105.19 104.73 2jgq n GLY 196 Ca -0.19 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 2jgq n GLY 196 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jgq n SER 197 N 0.00 -4.32 -4.72 1.61 7.64 -1.00 -4.33 113.62 108.50 2jgq n SER 197 Ca 0.00 -0.03 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 2jgq n SER 197 Cb 0.00 -3.46 -0.03 0.00 -1.01 0.00 0.00 64.21 59.71 2jgq n SER 197 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jgq s VAL 198 N -2.73 4.04 0.25 0.44 1.01 -1.26 -4.61 120.40 117.54 2jgq s VAL 198 Ca 0.02 1.56 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 2jgq s VAL 198 Cb -0.01 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2jgq s VAL 198 CO 0.03 0.18 0.33 0.54 0.00 0.00 0.00 175.10 176.17 2jgq s ASN 199 N 0.63 0.28 0.60 3.32 6.03 -1.26 -4.47 114.94 120.06 2jgq s ASN 199 Ca 0.55 -1.26 0.29 0.00 -1.03 0.00 0.00 52.86 51.41 2jgq s ASN 199 Cb -0.29 0.51 1.52 0.00 -3.03 0.00 0.00 41.25 39.97 2jgq s ASN 199 CO 0.31 -1.04 1.93 0.71 -2.03 0.00 0.00 177.10 176.99 2jgq h THR 200 N 2.37 0.35 0.10 0.54 1.35 -1.94 0.45 112.91 116.13 2jgq h THR 200 Ca -0.30 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.29 2jgq h THR 200 Cb 1.25 0.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2jgq h THR 200 CO 0.43 0.00 -1.18 1.56 -0.25 0.00 0.00 175.52 176.08 2jgq h GLN 201 N 0.00 0.37 -0.00 4.72 1.08 -1.98 -3.37 115.11 115.93 2jgq h GLN 201 Ca 0.17 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 2jgq h GLN 201 Cb 1.00 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2jgq h GLN 201 CO -0.00 1.22 -0.45 0.27 -0.95 0.00 0.00 178.83 178.92 2jgq n ASN 202 N -3.64 0.97 -0.04 1.46 0.23 -0.86 -4.71 115.26 108.68 2jgq n ASN 202 Ca -0.09 -0.99 -0.11 0.00 -0.53 0.00 0.00 54.58 52.86 2jgq n ASN 202 Cb 0.97 0.76 -0.05 0.00 -2.08 0.00 0.00 39.78 39.38 2jgq n ASN 202 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jgq h ALA 203 N 2.01 -0.50 -0.63 -2.53 0.00 -1.09 -1.82 119.26 114.70 2jgq h ALA 203 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2jgq h ALA 203 Cb 0.37 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 2jgq h ALA 203 CO 0.00 -0.88 0.28 -0.22 0.00 0.00 0.00 179.25 178.43 2jgq h LYS 204 N -0.43 0.49 -0.28 0.00 3.64 -1.84 -1.13 116.57 117.01 2jgq h LYS 204 Ca 0.10 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2jgq h LYS 204 Cb 0.60 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2jgq h LYS 204 CO -0.44 0.32 -0.02 0.93 -2.27 0.00 0.00 179.45 177.97 2jgq h GLU 205 N 0.50 0.51 -0.21 1.90 5.08 -1.80 -2.00 114.58 118.55 2jgq h GLU 205 Ca 0.31 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2jgq h GLU 205 Cb 0.33 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2jgq h GLU 205 CO -0.27 0.67 -0.05 0.82 -1.00 0.00 0.00 179.01 179.19 2jgq h ILE 206 N 0.29 0.80 0.00 3.13 1.08 -1.02 0.03 117.51 121.82 2jgq h ILE 206 Ca 0.08 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2jgq h ILE 206 Cb 0.46 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 2jgq h ILE 206 CO 0.02 0.00 0.01 -0.07 -0.69 0.00 0.00 178.15 177.42 2jgq h LEU 207 N 0.01 0.00 -0.51 1.44 3.38 -1.06 -1.79 115.31 116.77 2jgq h LEU 207 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jgq h LEU 207 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jgq h LEU 207 CO -0.21 0.00 0.00 1.23 0.09 0.00 0.00 178.44 179.55 2jgq h GLY 208 N 0.00 0.00 -4.51 0.83 0.00 -0.21 -3.38 103.07 95.80 2jgq h GLY 208 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2jgq h GLY 208 CO 0.00 0.00 0.49 -0.42 0.00 0.00 0.00 176.54 176.61 2jgq s ILE 209 N -3.30 4.53 0.42 2.60 1.01 -0.68 -4.95 121.20 120.83 2jgq s ILE 209 Ca 0.06 1.81 0.09 0.00 0.00 0.00 0.00 60.65 62.61 2jgq s ILE 209 Cb 0.10 -4.16 0.28 0.00 0.01 0.00 0.00 42.46 38.68 2jgq s ILE 209 CO 0.53 0.11 2.05 0.44 0.00 0.00 0.00 174.94 178.07 2jgq h ASP 210 N 6.91 0.43 -0.17 3.58 3.32 -1.89 -1.90 116.42 126.70 2jgq h ASP 210 Ca -0.39 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2jgq h ASP 210 Cb 1.20 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2jgq h ASP 210 CO 0.80 0.30 0.00 -1.54 -1.72 0.00 0.00 179.24 177.08 2jgq n SER 211 N -4.48 1.06 -4.33 6.45 3.41 -1.26 -4.67 113.62 109.81 2jgq n SER 211 Ca 0.04 -1.85 -0.38 0.00 -0.26 0.00 0.00 58.87 56.41 2jgq n SER 211 Cb 0.12 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 2jgq n SER 211 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jgq s VAL 212 N -1.78 4.10 -0.59 -3.33 1.01 -0.71 -4.84 120.40 114.25 2jgq s VAL 212 Ca 0.20 -0.91 0.24 0.00 0.00 0.00 0.00 61.98 61.51 2jgq s VAL 212 Cb 0.10 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2jgq s VAL 212 CO 0.15 -0.12 1.22 0.44 0.00 0.00 0.00 175.10 176.79 2jgq h ASP 213 N 8.29 0.00 0.00 3.32 3.45 -0.98 -0.90 116.42 129.60 2jgq h ASP 213 Ca -0.26 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 56.97 2jgq h ASP 213 Cb 1.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 2jgq h ASP 213 CO 0.62 0.12 0.00 0.61 -1.57 0.00 0.00 179.24 179.02 2jgq n GLY 214 N 1.33 -1.23 3.11 2.75 0.00 -1.22 -1.45 105.19 108.48 2jgq n GLY 214 Ca 0.03 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 2jgq n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jgq s LEU 215 N 0.00 2.19 -0.33 0.99 1.43 0.59 -0.79 118.68 122.76 2jgq s LEU 215 Ca 0.00 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2jgq s LEU 215 Cb 0.00 -0.45 0.06 0.00 0.03 0.00 0.00 46.19 45.83 2jgq s LEU 215 CO 0.00 -0.04 0.06 -0.22 0.23 0.00 0.00 176.35 176.38 2jgq s LEU 216 N -1.23 4.23 -0.24 1.79 2.96 0.28 -0.21 118.68 126.26 2jgq s LEU 216 Ca -0.02 -1.41 -0.08 0.00 -0.22 0.00 0.00 54.13 52.41 2jgq s LEU 216 Cb -0.08 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2jgq s LEU 216 CO 0.01 -0.33 0.10 -0.63 -1.32 0.00 0.00 176.35 174.18 2jgq s ILE 217 N 1.25 4.64 0.00 6.68 1.01 0.21 -3.96 121.20 131.04 2jgq s ILE 217 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.57 2jgq s ILE 217 Cb -0.20 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2jgq s ILE 217 CO -0.01 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2jgq n GLY 218 N 4.68 0.66 0.38 6.18 0.00 -1.26 -0.73 105.19 115.10 2jgq n GLY 218 Ca -0.16 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.12 2jgq n GLY 218 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgq h SER 219 N 0.00 0.46 0.76 1.61 4.64 -1.91 0.12 113.55 119.23 2jgq h SER 219 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2jgq h SER 219 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2jgq h SER 219 CO 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 2jgq h ALA 220 N 1.73 1.00 0.00 5.18 0.00 -1.88 -2.57 119.26 122.72 2jgq h ALA 220 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 2jgq h ALA 220 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2jgq h ALA 220 CO -0.48 0.00 -0.36 -1.13 0.00 0.00 0.00 179.25 177.28 2jgq n SER 221 N -2.77 0.48 0.24 0.00 3.41 0.42 -3.85 113.62 111.55 2jgq n SER 221 Ca 0.01 0.13 0.17 0.00 -0.26 0.00 0.00 58.87 58.91 2jgq n SER 221 Cb 0.24 -0.07 0.85 0.00 -0.26 0.00 0.00 64.21 64.97 2jgq n SER 221 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2jgq h TRP 222 N 0.00 0.00 -3.62 7.33 6.55 -1.52 -3.36 115.95 121.33 2jgq h TRP 222 Ca 0.00 0.00 -0.68 0.00 0.95 0.00 0.00 58.89 59.16 2jgq h TRP 222 Cb 0.60 0.00 -0.27 0.00 -0.86 0.00 0.00 29.16 28.63 2jgq h TRP 222 CO 0.00 0.00 -0.62 -1.21 -1.05 0.00 0.00 178.44 175.56 2jgq s GLU 223 N -3.78 2.97 0.28 0.49 0.41 -1.25 -5.00 118.70 112.81 2jgq s GLU 223 Ca -0.03 -0.94 0.01 0.00 -0.41 0.00 0.00 54.97 53.60 2jgq s GLU 223 Cb 0.10 -3.39 0.65 0.00 -1.78 0.00 0.00 34.13 29.71 2jgq s GLU 223 CO 0.33 -0.50 1.69 1.25 -0.49 0.00 0.00 175.26 177.54 2jgq h LEU 224 N 8.23 0.22 -1.42 1.80 5.85 -1.90 -0.24 115.31 127.85 2jgq h LEU 224 Ca -0.29 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2jgq h LEU 224 Cb 1.11 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2jgq h LEU 224 CO 0.60 -0.02 0.32 -0.33 -0.34 0.00 0.00 178.44 178.67 2jgq h GLU 225 N 0.36 0.71 -0.50 1.25 4.39 -1.94 -0.32 114.58 118.52 2jgq h GLU 225 Ca 0.52 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 60.09 2jgq h GLU 225 Cb 0.96 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2jgq h GLU 225 CO -0.53 0.49 0.01 -0.91 -1.16 0.00 0.00 179.01 176.91 2jgq h ASN 226 N 0.72 0.86 -0.53 1.42 2.35 -1.30 -1.87 115.58 117.23 2jgq h ASN 226 Ca 0.19 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 2jgq h ASN 226 Cb -0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2jgq h ASN 226 CO -0.04 0.95 0.14 0.15 -1.65 0.00 0.00 177.43 176.99 2jgq h PHE 227 N 0.75 0.87 -0.67 1.19 3.57 -0.95 -2.09 116.94 119.60 2jgq h PHE 227 Ca 0.14 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2jgq h PHE 227 Cb 0.51 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2jgq h PHE 227 CO 0.04 0.76 0.21 0.87 -2.23 0.00 0.00 178.31 177.95 2jgq h LYS 228 N 0.73 1.04 -0.13 1.11 1.57 -0.97 -1.32 116.57 118.59 2jgq h LYS 228 Ca 0.17 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2jgq h LYS 228 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2jgq h LYS 228 CO -0.00 0.89 0.06 1.15 -0.57 0.00 0.00 179.45 180.97 2jgq h THR 229 N 1.00 1.15 0.00 -0.16 2.02 -1.11 -2.26 112.91 113.53 2jgq h THR 229 Ca 0.22 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2jgq h THR 229 Cb 0.29 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2jgq h THR 229 CO -0.01 0.13 -0.08 0.40 0.37 0.00 0.00 175.52 176.34 2jgq h ILE 230 N 0.07 1.01 -0.37 3.11 2.04 -1.16 -1.83 117.51 120.38 2jgq h ILE 230 Ca 0.04 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2jgq h ILE 230 Cb 0.16 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2jgq h ILE 230 CO -0.00 0.08 -0.07 0.40 0.00 0.00 0.00 178.15 178.55 2jgq h ILE 231 N 0.00 1.23 0.00 -0.67 2.04 -0.67 -2.34 117.51 117.11 2jgq h ILE 231 Ca -0.00 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2jgq h ILE 231 Cb 0.14 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2jgq h ILE 231 CO 0.01 0.34 0.00 -1.54 0.00 0.00 0.00 178.15 176.96 2jgq n SER 232 N -4.21 0.26 0.03 1.72 3.41 -0.69 -2.03 113.62 112.11 2jgq n SER 232 Ca 0.01 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2jgq n SER 232 Cb 0.31 -0.62 0.31 0.00 -0.26 0.00 0.00 64.21 63.95 2jgq n SER 232 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jgq n PHE 233 N -1.79 0.26 0.66 7.33 0.99 -0.88 -5.14 117.46 118.89 2jgq n PHE 233 Ca 0.03 0.07 0.05 0.00 -0.00 0.00 0.00 57.45 57.61 2jgq n PHE 233 Cb 0.20 -0.48 0.31 0.00 -1.00 0.00 0.00 39.48 38.51 2jgq n PHE 233 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04