#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 0.34 -3.83 -2.82 5.02 -1.26 -5.06 118.16 110.55 2jgq n LYS 3 Ca 0.00 -2.13 -0.31 0.00 -2.02 0.00 0.00 58.31 53.84 2jgq n LYS 3 Cb 0.00 -0.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.61 2jgq n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jgq s ILE 4 N -1.99 5.31 -0.08 -0.18 1.01 -0.59 -4.84 121.20 119.85 2jgq s ILE 4 Ca 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 2jgq s ILE 4 Cb -0.03 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.86 2jgq s ILE 4 CO 0.31 0.12 0.10 0.00 0.00 0.00 0.00 174.94 175.47 2jgq s ALA 5 N -1.55 0.12 -0.08 9.38 0.00 -0.60 -0.41 121.76 128.62 2jgq s ALA 5 Ca 0.37 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.59 2jgq s ALA 5 Cb -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2jgq s ALA 5 CO 0.26 -0.66 -0.21 -1.64 0.00 0.00 0.00 175.76 173.51 2jgq s MET 6 N 2.21 2.51 -0.26 0.00 -1.94 0.45 -0.94 119.30 121.34 2jgq s MET 6 Ca 0.04 -0.74 -0.11 0.00 -1.71 0.00 0.00 55.69 53.17 2jgq s MET 6 Cb -0.13 -1.98 -0.05 0.00 2.01 0.00 0.00 34.83 34.68 2jgq s MET 6 CO -0.05 0.18 0.17 0.00 -0.01 0.00 0.00 175.02 175.31 2jgq s ALA 7 N 0.32 3.56 -0.39 3.03 0.00 0.87 0.79 121.76 129.93 2jgq s ALA 7 Ca -0.14 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 2jgq s ALA 7 Cb -0.16 -2.39 0.06 0.00 0.00 0.00 0.00 23.12 20.63 2jgq s ALA 7 CO 0.06 -0.37 0.20 1.21 0.00 0.00 0.00 175.76 176.86 2jgq s ASN 8 N 1.41 5.54 0.35 0.00 2.47 0.40 0.02 114.94 125.14 2jgq s ASN 8 Ca 0.07 -1.33 0.26 0.00 0.42 0.00 0.00 52.86 52.29 2jgq s ASN 8 Cb -0.15 -1.95 0.87 0.00 -1.45 0.00 0.00 41.25 38.58 2jgq s ASN 8 CO 0.08 -0.45 1.77 -0.26 -3.72 0.00 0.00 177.10 174.52 2jgq h PHE 9 N 8.34 0.00 0.00 0.43 0.04 -1.72 -3.39 116.94 120.64 2jgq h PHE 9 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 2jgq h PHE 9 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2jgq h PHE 9 CO 0.60 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.94 2jgq n LYS 10 N -2.63 0.00 -2.10 1.51 5.02 -1.26 -2.03 118.16 116.67 2jgq n LYS 10 Ca 0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2jgq n LYS 10 Cb 0.37 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.40 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 2.30 4.65 -0.00 4.39 2.88 -1.26 -4.21 113.62 122.37 2jgq n SER 11 Ca 0.00 -3.61 0.06 0.00 -1.33 0.00 0.00 58.87 53.99 2jgq n SER 11 Cb 0.00 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 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 -0.69 3.11 -2.70 -1.46 0.00 -0.86 -5.00 120.51 112.91 2jgq n ALA 12 Ca 0.41 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 53.13 2jgq n ALA 12 Cb 0.94 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 2jgq n ALA 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jgq s MET 13 N -2.53 4.26 0.66 0.00 -1.94 -1.26 -5.06 119.30 113.43 2jgq s MET 13 Ca 0.00 0.29 -0.16 0.00 -1.71 0.00 0.00 55.69 54.11 2jgq s MET 13 Cb 0.09 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.46 2jgq s MET 13 CO 0.53 0.09 1.18 -2.14 -0.01 0.00 0.00 175.02 174.68 2jgq s PRO 14 N 0.87 2.60 0.15 2.03 0.02 -1.26 -4.81 135.00 134.60 2jgq s PRO 14 Ca 0.22 1.69 -0.17 0.00 0.02 0.00 0.00 61.00 62.76 2jgq s PRO 14 Cb -0.14 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.53 2jgq s PRO 14 CO 0.08 -1.47 1.73 0.82 -0.33 0.00 0.00 177.00 177.83 2jgq h ILE 15 N 0.22 0.83 -0.49 2.83 5.03 -1.96 -1.26 117.51 122.70 2jgq h ILE 15 Ca -0.48 -0.06 -0.06 0.00 -0.12 0.00 0.00 64.86 64.14 2jgq h ILE 15 Cb 1.28 0.65 -0.02 0.00 -3.03 0.00 0.00 36.82 35.70 2jgq h ILE 15 CO 0.53 0.03 0.09 2.19 -0.68 0.00 0.00 178.15 180.31 2jgq h PHE 16 N 0.17 0.85 -0.90 1.37 -5.15 -1.95 -2.14 116.94 109.18 2jgq h PHE 16 Ca 0.15 -0.11 -0.01 0.00 -0.20 0.00 0.00 57.97 57.80 2jgq h PHE 16 Cb 0.18 -0.24 -0.04 0.00 0.22 0.00 0.00 35.95 36.07 2jgq h PHE 16 CO -0.19 0.78 0.52 -0.22 -2.00 0.00 0.00 178.31 177.20 2jgq h LYS 17 N 0.68 1.24 -0.24 6.09 3.64 -1.87 -2.23 116.57 123.88 2jgq h LYS 17 Ca 0.15 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2jgq h LYS 17 Cb 0.38 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2jgq h LYS 17 CO 0.01 0.89 0.04 1.03 -2.27 0.00 0.00 179.45 179.14 2jgq h SER 18 N 1.26 0.39 -0.59 4.20 0.87 -1.05 -1.52 113.55 117.10 2jgq h SER 18 Ca 0.32 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2jgq h SER 18 Cb -0.02 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 2jgq h SER 18 CO -0.06 0.55 0.37 0.45 -0.53 0.00 0.00 176.83 177.62 2jgq h HIS 19 N 0.21 0.70 -0.32 2.24 3.86 -1.10 -1.56 115.15 119.18 2jgq h HIS 19 Ca 0.07 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2jgq h HIS 19 Cb 0.33 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2jgq h HIS 19 CO 0.02 0.41 0.04 0.00 0.86 0.00 0.00 177.93 179.26 2jgq h ALA 20 N 1.25 0.43 -0.49 2.45 0.00 -1.39 -2.56 119.26 118.95 2jgq h ALA 20 Ca 0.23 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2jgq h ALA 20 Cb -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 2jgq h ALA 20 CO -0.09 0.13 -0.35 -0.92 0.00 0.00 0.00 179.25 178.03 2jgq h TYR 21 N 0.36 -0.97 -0.03 0.00 -0.00 -0.81 0.21 116.97 115.73 2jgq h TYR 21 Ca 0.10 0.07 0.02 0.00 -0.00 0.00 0.00 58.73 58.92 2jgq h TYR 21 Cb 0.37 0.50 -0.03 0.00 -0.00 0.00 0.00 36.73 37.56 2jgq h TYR 21 CO 0.03 -0.39 -0.12 -0.07 -0.00 0.00 0.00 178.16 177.61 2jgq h LEU 22 N -0.22 -0.36 -0.42 2.82 3.38 -1.17 0.38 115.31 119.73 2jgq h LEU 22 Ca 0.19 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2jgq h LEU 22 Cb 0.55 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2jgq h LEU 22 CO -0.61 -0.17 0.22 0.11 0.09 0.00 0.00 178.44 178.08 2jgq h LYS 23 N -0.19 0.44 0.06 1.13 1.57 -0.90 -0.54 116.57 118.14 2jgq h LYS 23 Ca 0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jgq h LYS 23 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jgq h LYS 23 CO -0.14 0.29 -0.03 0.93 -0.57 0.00 0.00 179.45 179.93 2jgq h GLU 24 N 0.45 -0.08 -0.48 3.15 5.08 -0.36 -2.43 114.58 119.92 2jgq h GLU 24 Ca 0.17 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2jgq h GLU 24 Cb 0.06 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 2jgq h GLU 24 CO -0.11 -0.04 0.16 1.25 -1.00 0.00 0.00 179.01 179.27 2jgq h LEU 25 N -0.09 0.14 -1.69 1.33 5.85 -0.69 -0.30 115.31 119.86 2jgq h LEU 25 Ca -0.01 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.91 2jgq h LEU 25 Cb 0.07 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2jgq h LEU 25 CO 0.01 0.11 0.44 -0.08 -0.34 0.00 0.00 178.44 178.58 2jgq h GLU 26 N 0.32 0.31 0.04 1.25 4.57 -0.79 -0.57 114.58 119.72 2jgq h GLU 26 Ca 0.23 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 58.14 2jgq h GLU 26 Cb 0.26 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2jgq h GLU 26 CO -0.25 0.21 -1.25 0.87 -1.18 0.00 0.00 179.01 177.40 2jgq h LYS 27 N 0.32 0.08 0.00 1.92 1.57 -0.64 -3.34 116.57 116.49 2jgq h LYS 27 Ca 0.31 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 2jgq h LYS 27 Cb 0.77 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2jgq h LYS 27 CO -0.08 0.96 -0.86 1.15 -0.57 0.00 0.00 179.45 180.05 2jgq h THR 28 N 0.02 1.59 -2.08 -0.16 2.02 -0.12 -3.46 112.91 110.72 2jgq h THR 28 Ca -0.12 -2.87 -0.43 0.00 0.77 0.00 0.00 66.41 63.76 2jgq h THR 28 Cb 1.88 2.56 0.03 0.00 -1.74 0.00 0.00 68.15 70.89 2jgq h THR 28 CO 0.14 0.82 -0.14 -0.76 0.37 0.00 0.00 175.52 175.95 2jgq s LEU 29 N -7.12 3.48 0.48 2.58 1.43 -0.32 -5.10 118.68 114.12 2jgq s LEU 29 Ca -0.00 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2jgq s LEU 29 Cb 0.11 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2jgq s LEU 29 CO 0.80 -0.93 0.02 -0.54 0.23 0.00 0.00 176.35 175.93 2jgq s LYS 30 N -4.56 2.12 0.37 1.70 -0.14 -1.26 -4.92 119.74 113.05 2jgq s LYS 30 Ca 0.55 -2.33 0.10 0.00 -1.36 0.00 0.00 55.97 52.93 2jgq s LYS 30 Cb -0.10 -1.40 0.85 0.00 -1.68 0.00 0.00 37.83 35.50 2jgq s LYS 30 CO 0.36 -0.34 1.90 -1.35 -0.76 0.00 0.00 175.35 175.16 2jgq h PRO 31 N 1.48 0.63 0.00 -1.68 0.11 -1.88 -1.57 132.00 129.09 2jgq h PRO 31 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jgq h PRO 31 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jgq h PRO 31 CO 0.73 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 2jgq n GLN 32 N -4.53 0.07 0.01 1.05 0.00 -1.26 -1.31 117.38 111.41 2jgq n GLN 32 Ca 0.16 0.28 0.11 0.00 0.00 0.00 0.00 57.00 57.54 2jgq n GLN 32 Cb 0.44 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.21 2jgq n GLN 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2jgq n HIS 33 N -1.37 0.15 -0.26 2.61 8.25 -0.59 -4.55 115.22 119.47 2jgq n HIS 33 Ca 0.03 0.04 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2jgq n HIS 33 Cb 0.07 -0.31 0.01 0.00 1.12 0.00 0.00 29.99 30.88 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 -1.05 -0.53 4.41 3.57 -0.88 0.69 116.94 123.15 2jgq h PHE 34 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2jgq h PHE 34 Cb 0.64 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2jgq h PHE 34 CO 0.00 -0.39 0.00 -0.40 -2.23 0.00 0.00 178.31 175.29 2jgq n ASP 35 N -5.44 2.94 -0.06 0.41 5.68 -1.26 -3.04 116.55 115.78 2jgq n ASP 35 Ca 0.05 -2.03 -0.08 0.00 -0.50 0.00 0.00 54.79 52.24 2jgq n ASP 35 Cb 0.36 -0.37 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 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 1.05 1.31 -4.67 0.11 5.12 -0.26 -4.98 116.66 114.35 2jgq n ARG 36 Ca 0.18 0.04 -0.33 0.00 -1.93 0.00 0.00 57.85 55.81 2jgq n ARG 36 Cb 0.47 -1.29 -0.13 0.00 -1.16 0.00 0.00 32.46 30.35 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 -2.28 3.34 0.04 1.55 1.01 0.07 -1.55 120.40 122.59 2jgq s VAL 37 Ca -0.12 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2jgq s VAL 37 Cb 0.04 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2jgq s VAL 37 CO 0.40 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.46 2jgq s PHE 38 N 0.18 1.78 -0.06 5.22 0.08 -0.11 -0.61 117.98 124.45 2jgq s PHE 38 Ca -0.06 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.63 2jgq s PHE 38 Cb -0.15 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 2jgq s PHE 38 CO 0.04 0.09 -0.06 0.08 -0.10 0.00 0.00 175.22 175.27 2jgq s VAL 39 N -0.80 0.72 -0.61 -0.44 1.01 -0.01 -0.09 120.40 120.18 2jgq s VAL 39 Ca 0.07 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2jgq s VAL 39 Cb -0.09 -0.74 0.15 0.00 0.00 0.00 0.00 36.38 35.71 2jgq s VAL 39 CO 0.02 0.28 0.38 -0.36 0.00 0.00 0.00 175.10 175.41 2jgq s PHE 40 N 1.12 3.38 0.75 5.22 0.08 0.10 -1.79 117.98 126.85 2jgq s PHE 40 Ca -0.07 -3.26 -0.07 0.00 0.12 0.00 0.00 56.93 53.65 2jgq s PHE 40 Cb -0.14 -2.77 0.09 0.00 -0.57 0.00 0.00 43.02 39.63 2jgq s PHE 40 CO -0.01 -0.65 1.06 -1.25 -0.10 0.00 0.00 175.22 174.28 2jgq s PRO 41 N -0.87 1.89 0.83 0.24 0.04 -1.25 -2.13 135.00 133.75 2jgq s PRO 41 Ca 0.21 -0.38 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 2jgq s PRO 41 Cb -0.15 -2.14 0.09 0.00 0.04 0.00 0.00 34.50 32.34 2jgq s PRO 41 CO -0.08 -1.45 1.13 0.16 0.04 0.00 0.00 177.00 176.80 2jgq s ASP 42 N -4.60 4.22 0.39 6.66 1.47 -1.26 -4.21 116.67 119.33 2jgq s ASP 42 Ca 0.63 1.03 0.17 0.00 1.18 0.00 0.00 52.55 55.56 2jgq s ASP 42 Cb -0.09 -1.65 1.06 0.00 -0.34 0.00 0.00 42.92 41.90 2jgq s ASP 42 CO 0.46 -2.11 1.78 -0.26 0.68 0.00 0.00 175.17 175.72 2jgq h PHE 43 N -1.19 0.69 0.16 2.11 0.04 -1.97 -1.47 116.94 115.30 2jgq h PHE 43 Ca -0.48 0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.04 2jgq h PHE 43 Cb 1.31 -0.20 0.03 0.00 2.20 0.00 0.00 35.95 39.28 2jgq h PHE 43 CO 0.37 0.09 -1.18 0.74 -0.60 0.00 0.00 178.31 177.72 2jgq h PHE 44 N 0.43 0.89 0.00 -0.55 0.04 -1.99 -3.34 116.94 112.42 2jgq h PHE 44 Ca 0.58 -0.59 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2jgq h PHE 44 Cb 1.40 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.49 2jgq h PHE 44 CO -0.00 1.45 0.00 0.78 -0.60 0.00 0.00 178.31 179.93 2jgq h GLY 45 N 0.08 0.00 -0.87 -1.45 0.00 -1.59 -3.45 103.07 95.78 2jgq h GLY 45 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.70 2jgq h GLY 45 CO 0.22 0.00 0.38 0.48 0.00 0.00 0.00 176.54 177.63 2jgq s LEU 46 N -5.06 2.42 0.12 3.11 0.05 -0.74 -3.90 118.68 114.68 2jgq s LEU 46 Ca 0.04 0.24 -0.12 0.00 0.05 0.00 0.00 54.13 54.33 2jgq s LEU 46 Cb 0.09 -2.16 0.01 0.00 -2.05 0.00 0.00 46.19 42.09 2jgq s LEU 46 CO 0.46 -3.08 0.31 -0.76 -0.55 0.00 0.00 176.35 172.73 2jgq s LEU 47 N -6.10 0.86 0.36 1.48 1.43 -1.26 -4.93 118.68 110.51 2jgq s LEU 47 Ca 0.75 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 53.06 2jgq s LEU 47 Cb -0.03 1.45 -0.13 0.00 0.03 0.00 0.00 46.19 47.51 2jgq s LEU 47 CO 0.54 -0.83 0.74 -2.65 0.23 0.00 0.00 176.35 174.39 2jgq n PRO 48 N -0.17 0.84 -2.54 1.29 -0.02 -1.26 -4.76 135.00 128.38 2jgq n PRO 48 Ca -0.14 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 2jgq n PRO 48 Cb 0.63 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.81 6.30 0.00 2.55 2.47 0.37 -4.60 114.94 121.21 2jgq s ASN 49 Ca 0.62 -0.95 0.01 0.00 0.42 0.00 0.00 52.86 52.96 2jgq s ASN 49 Cb -0.66 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 36.58 2jgq s ASN 49 CO 0.58 -1.70 0.56 -1.54 -3.72 0.00 0.00 177.10 171.29 2jgq n SER 50 N 9.26 1.15 -4.72 -4.21 3.41 -1.26 -4.85 113.62 112.40 2jgq n SER 50 Ca 0.19 -1.11 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 2jgq n SER 50 Cb 0.50 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.14 3.48 -0.66 7.33 0.08 -1.26 -4.93 117.98 121.87 2jgq s PHE 51 Ca 0.01 1.38 0.05 0.00 0.12 0.00 0.00 56.93 58.50 2jgq s PHE 51 Cb 0.01 -3.37 0.04 0.00 -0.57 0.00 0.00 43.02 39.12 2jgq s PHE 51 CO 0.01 -1.07 0.65 1.28 -0.10 0.00 0.00 175.22 176.00 2jgq n LEU 52 N 3.68 1.41 -0.41 -0.37 4.77 -1.26 -4.60 117.00 120.22 2jgq n LEU 52 Ca 0.08 -0.98 0.07 0.00 -0.03 0.00 0.00 56.01 55.14 2jgq n LEU 52 Cb 0.47 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2jgq n LEU 52 CO 0.55 0.30 0.34 1.41 -1.33 0.00 0.00 177.39 178.65 2jgq n HIS 53 N 0.25 0.00 -3.59 -1.77 8.25 -1.26 -4.42 115.22 112.68 2jgq n HIS 53 Ca 0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.41 2jgq n HIS 53 Cb 0.13 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.40 -0.33 -0.22 4.41 -0.12 -1.26 -2.48 117.98 116.58 2jgq s PHE 54 Ca 0.13 0.08 -0.11 0.00 -0.05 0.00 0.00 56.93 56.98 2jgq s PHE 54 Cb 0.11 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 43.05 2jgq s PHE 54 CO 0.26 -0.81 0.17 0.99 -0.05 0.00 0.00 175.22 175.77 2jgq s THR 55 N -3.48 5.37 -0.19 -4.49 2.01 0.22 -4.83 115.64 110.24 2jgq s THR 55 Ca 0.06 0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.16 2jgq s THR 55 Cb -0.02 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2jgq s THR 55 CO -0.05 0.38 0.30 -0.22 -0.69 0.00 0.00 174.62 174.34 2jgq s LEU 56 N 0.78 4.18 0.23 4.42 2.96 -1.26 -0.83 118.68 129.16 2jgq s LEU 56 Ca 0.09 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2jgq s LEU 56 Cb -0.13 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2jgq s LEU 56 CO 0.02 0.03 0.13 -0.83 -1.32 0.00 0.00 176.35 174.38 2jgq s GLY 57 N 0.81 1.62 0.20 7.98 0.00 -0.74 -4.36 107.32 112.84 2jgq s GLY 57 Ca 0.15 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 43.18 2jgq s GLY 57 CO 0.05 -1.48 -0.01 -1.34 0.00 0.00 0.00 173.10 170.32 2jgq s VAL 58 N -3.96 3.58 -0.77 1.40 -7.23 -0.80 -3.84 120.40 108.77 2jgq s VAL 58 Ca 0.38 -1.59 0.27 0.00 -1.81 0.00 0.00 61.98 59.23 2jgq s VAL 58 Cb 0.07 -2.82 0.28 0.00 0.56 0.00 0.00 36.38 34.46 2jgq s VAL 58 CO 0.14 -0.18 1.80 0.00 -0.31 0.00 0.00 175.10 176.55 2jgq n GLN 59 N -0.31 0.21 -3.64 4.82 6.02 -1.26 -2.03 117.38 121.19 2jgq n GLN 59 Ca -0.09 0.18 -0.01 0.00 -0.01 0.00 0.00 57.00 57.07 2jgq n GLN 59 Cb 0.56 -1.75 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 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 -4.25 -0.13 -0.16 1.08 2.47 -1.26 -4.41 114.94 108.27 2jgq s ASN 60 Ca 0.11 -0.18 -0.33 0.00 0.42 0.00 0.00 52.86 52.88 2jgq s ASN 60 Cb 0.13 0.27 0.14 0.00 -1.45 0.00 0.00 41.25 40.34 2jgq s ASN 60 CO 0.58 -0.48 1.15 0.00 -3.72 0.00 0.00 177.10 174.62 2jgq s ALA 61 N -2.72 -2.02 -0.07 1.71 0.00 -1.26 -4.94 121.76 112.45 2jgq s ALA 61 Ca 0.12 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 53.46 2jgq s ALA 61 Cb 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2jgq s ALA 61 CO -0.03 -0.55 0.37 -0.47 0.00 0.00 0.00 175.76 175.09 2jgq s TYR 62 N -2.27 3.61 -0.39 0.00 5.04 0.78 -4.97 117.35 119.15 2jgq s TYR 62 Ca 0.07 0.84 -0.04 0.00 -2.44 0.00 0.00 57.07 55.51 2jgq s TYR 62 Cb -0.01 -2.33 -0.09 0.00 0.35 0.00 0.00 41.96 39.88 2jgq s TYR 62 CO -0.05 0.46 2.04 -0.35 -1.34 0.00 0.00 175.55 176.31 2jgq n PRO 63 N 2.62 1.42 -3.87 4.97 -0.04 -1.26 -4.25 135.00 134.58 2jgq n PRO 63 Ca -0.13 -0.91 -0.10 0.00 -0.04 0.00 0.00 63.50 62.33 2jgq n PRO 63 Cb 0.52 -2.06 -0.09 0.00 -0.04 0.00 0.00 33.50 31.84 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 2.73 0.66 0.15 0.54 1.81 -1.26 -4.96 118.95 118.61 2jgq s ARG 64 Ca 0.35 -0.66 -0.16 0.00 -1.72 0.00 0.00 55.73 53.54 2jgq s ARG 64 Cb 0.13 0.27 0.01 0.00 -0.45 0.00 0.00 34.95 34.91 2jgq s ARG 64 CO -0.01 -0.18 1.75 -0.44 -0.68 0.00 0.00 175.30 175.74 2jgq h ASP 65 N 3.53 0.53 0.00 0.23 3.45 -1.95 -2.00 116.42 120.21 2jgq h ASP 65 Ca -0.32 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.05 2jgq h ASP 65 Cb 1.19 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 2jgq h ASP 65 CO 0.49 0.46 0.00 0.00 -1.57 0.00 0.00 179.24 178.62 2jgq n GLY 67 N -0.12 0.80 3.24 0.00 0.00 -1.26 -4.99 105.19 102.87 2jgq n GLY 67 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.89 4.10 -3.38 4.61 0.00 -1.26 -4.75 120.51 118.95 2jgq n ALA 68 Ca 0.00 -3.75 -0.26 0.00 0.00 0.00 0.00 53.44 49.43 2jgq n ALA 68 Cb 0.00 -3.58 -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 8.02 1.03 -1.69 0.00 3.72 -1.26 -5.10 117.46 122.19 2jgq n PHE 69 Ca 0.50 -3.76 -0.59 0.00 -0.05 0.00 0.00 57.45 53.55 2jgq n PHE 69 Cb 0.43 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.62 0.20 -0.15 4.37 -1.04 -1.26 -1.07 114.28 116.94 2jgq n THR 70 Ca 0.25 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 2jgq n THR 70 Cb 0.47 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 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 3.79 1.80 3.96 3.41 0.00 -1.26 -5.03 105.19 111.86 2jgq n GLY 71 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.31 3.45 -0.11 1.61 0.41 -0.23 -5.11 118.70 118.41 2jgq s GLU 72 Ca 0.00 -0.64 -0.01 0.00 -0.41 0.00 0.00 54.97 53.91 2jgq s GLU 72 Cb 0.00 -2.88 -0.03 0.00 -1.78 0.00 0.00 34.13 29.45 2jgq s GLU 72 CO 0.00 0.41 -0.06 0.42 -0.49 0.00 0.00 175.26 175.54 2jgq s ILE 73 N -1.96 3.72 0.40 -1.63 -1.09 -1.26 -4.96 121.20 114.43 2jgq s ILE 73 Ca 0.35 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.40 2jgq s ILE 73 Cb -0.10 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 2jgq s ILE 73 CO 0.30 0.55 0.15 0.42 -1.23 0.00 0.00 174.94 175.13 2jgq s THR 74 N -0.25 2.36 0.41 2.92 -4.23 -1.26 -0.16 115.64 115.43 2jgq s THR 74 Ca 0.04 -1.74 0.09 0.00 -1.18 0.00 0.00 61.69 58.90 2jgq s THR 74 Cb -0.13 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.02 2jgq s THR 74 CO 0.03 -0.03 2.03 0.77 -0.54 0.00 0.00 174.62 176.88 2jgq h SER 75 N 1.49 0.46 -0.79 3.99 4.64 -1.38 -2.71 113.55 119.24 2jgq h SER 75 Ca -0.43 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2jgq h SER 75 Cb 1.25 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 2jgq h SER 75 CO 0.70 0.32 0.44 0.11 -0.87 0.00 0.00 176.83 177.53 2jgq h LYS 76 N 0.53 1.11 -0.31 4.77 1.79 -1.57 -0.49 116.57 122.41 2jgq h LYS 76 Ca 0.19 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2jgq h LYS 76 Cb 0.12 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 2jgq h LYS 76 CO -0.05 0.81 0.18 0.45 -1.08 0.00 0.00 179.45 179.76 2jgq h HIS 77 N 1.12 0.34 -0.53 -1.35 3.86 -1.72 0.27 115.15 117.13 2jgq h HIS 77 Ca 0.28 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.47 2jgq h HIS 77 Cb 0.02 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 2jgq h HIS 77 CO 0.01 0.20 0.18 -0.07 0.86 0.00 0.00 177.93 179.11 2jgq h LEU 78 N 0.37 0.72 -0.86 2.43 3.38 -1.41 -1.01 115.31 118.94 2jgq h LEU 78 Ca 0.12 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2jgq h LEU 78 Cb -0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2jgq h LEU 78 CO -0.05 0.68 -0.03 -0.08 0.09 0.00 0.00 178.44 179.05 2jgq h GLU 79 N 0.77 0.82 -0.35 1.13 4.81 -0.53 0.18 114.58 121.41 2jgq h GLU 79 Ca 0.18 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2jgq h GLU 79 Cb 0.21 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2jgq h GLU 79 CO -0.01 0.84 -0.14 1.49 -0.73 0.00 0.00 179.01 180.47 2jgq h GLU 80 N 0.76 0.63 -0.01 1.92 4.81 0.15 -2.05 114.58 120.79 2jgq h GLU 80 Ca 0.14 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2jgq h GLU 80 Cb 0.50 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2jgq h GLU 80 CO 0.03 0.74 -0.05 1.28 -0.73 0.00 0.00 179.01 180.27 2jgq n LEU 81 N -4.17 0.77 -2.45 1.64 4.77 -0.49 -4.92 117.00 112.15 2jgq n LEU 81 Ca 0.01 -0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.60 2jgq n LEU 81 Cb 0.35 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2jgq n LEU 81 CO 0.42 0.13 -0.08 0.29 -1.33 0.00 0.00 177.39 176.82 2jgq n LYS 82 N -0.53 -3.29 -3.98 3.23 4.01 0.01 -0.48 118.16 117.13 2jgq n LYS 82 Ca 0.18 0.83 -0.35 0.00 -0.51 0.00 0.00 58.31 58.46 2jgq n LYS 82 Cb 0.27 -5.41 -0.08 0.00 -0.51 0.00 0.00 35.03 29.29 2jgq n LYS 82 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2jgq s ILE 83 N -3.03 5.00 -0.18 -0.18 1.09 0.41 -4.66 121.20 119.64 2jgq s ILE 83 Ca 0.17 0.03 0.22 0.00 -1.10 0.00 0.00 60.65 59.97 2jgq s ILE 83 Cb -0.08 -3.22 0.45 0.00 -1.06 0.00 0.00 42.46 38.56 2jgq s ILE 83 CO 0.21 0.52 1.16 0.00 -0.10 0.00 0.00 174.94 176.73 2jgq n HIS 84 N 2.96 0.53 -4.13 3.97 1.44 -1.26 -4.27 115.22 114.46 2jgq n HIS 84 Ca -0.18 -1.56 -0.17 0.00 -2.01 0.00 0.00 57.72 53.81 2jgq n HIS 84 Cb 0.53 -0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.49 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 -2.18 0.40 -0.02 0.61 2.01 -1.26 -1.21 115.64 113.99 2jgq s THR 85 Ca 0.26 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 2jgq s THR 85 Cb 0.34 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.49 2jgq s THR 85 CO -0.08 0.14 0.23 -0.22 -0.69 0.00 0.00 174.62 174.00 2jgq s LEU 86 N 0.25 1.18 0.01 4.42 2.96 -0.70 -1.91 118.68 124.89 2jgq s LEU 86 Ca -0.03 0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.75 2jgq s LEU 86 Cb -0.06 0.96 -0.06 0.00 0.50 0.00 0.00 46.19 47.52 2jgq s LEU 86 CO -0.00 -0.36 0.46 -0.76 -1.32 0.00 0.00 176.35 174.37 2jgq s LEU 87 N -1.12 4.47 -0.01 -0.68 1.43 -0.86 -1.46 118.68 120.45 2jgq s LEU 87 Ca -0.12 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2jgq s LEU 87 Cb -0.06 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2jgq s LEU 87 CO 0.03 0.28 0.01 -0.63 0.23 0.00 0.00 176.35 176.26 2jgq s ILE 88 N -0.90 0.00 -0.00 -0.59 1.09 -0.79 -4.33 121.20 115.67 2jgq s ILE 88 Ca 0.26 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.91 2jgq s ILE 88 Cb -0.17 -0.08 0.00 0.00 -1.06 0.00 0.00 42.46 41.14 2jgq s ILE 88 CO 0.15 0.06 0.00 0.61 -0.10 0.00 0.00 174.94 175.66 2jgq n GLY 89 N 3.73 0.45 3.66 6.18 0.00 -1.26 -0.93 105.19 117.02 2jgq n GLY 89 Ca -0.21 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 1.80 -0.35 1.61 -0.00 -1.26 -4.51 115.22 109.51 2jgq n HIS 90 Ca -0.00 0.55 0.16 0.00 0.46 0.00 0.00 57.72 58.89 2jgq n HIS 90 Cb 0.00 -2.33 0.36 0.00 -0.12 0.00 0.00 29.99 27.90 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 2.03 0.72 -0.49 0.26 0.87 -1.94 -1.14 113.55 113.86 2jgq h SER 91 Ca -0.45 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 2jgq h SER 91 Cb 1.31 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 2jgq h SER 91 CO 0.60 0.18 0.22 -0.33 -0.53 0.00 0.00 176.83 176.97 2jgq h GLU 92 N 0.66 0.76 0.07 2.24 5.08 -1.99 -1.79 114.58 119.60 2jgq h GLU 92 Ca 0.62 -0.11 -0.27 0.00 -1.00 0.00 0.00 59.36 58.61 2jgq h GLU 92 Cb 1.09 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.21 2jgq h GLU 92 CO -0.43 0.61 -1.12 0.00 -1.00 0.00 0.00 179.01 177.08 2jgq h ARG 93 N 0.75 0.49 -0.75 2.33 3.08 -1.57 -0.66 114.38 118.06 2jgq h ARG 93 Ca 0.18 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 2jgq h ARG 93 Cb 0.13 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2jgq h ARG 93 CO -0.02 1.25 0.45 0.00 -1.07 0.00 0.00 179.97 180.57 2jgq h ARG 94 N 0.24 1.01 0.00 0.04 3.08 -1.18 -2.06 114.38 115.51 2jgq h ARG 94 Ca -0.13 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2jgq h ARG 94 Cb 1.78 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.62 2jgq h ARG 94 CO 0.20 0.72 -0.15 1.15 -1.07 0.00 0.00 179.97 180.82 2jgq h THR 95 N 1.02 0.00 -0.18 2.04 2.02 -1.37 -3.00 112.91 113.44 2jgq h THR 95 Ca 0.27 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2jgq h THR 95 Cb -0.03 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 2jgq h THR 95 CO -0.05 0.00 -0.24 -0.07 0.37 0.00 0.00 175.52 175.53 2jgq h LEU 96 N -0.42 0.32 -2.93 2.58 3.38 -1.29 -3.04 115.31 113.90 2jgq h LEU 96 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jgq h LEU 96 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jgq h LEU 96 CO 0.00 0.57 0.00 0.18 0.09 0.00 0.00 178.44 179.28 2jgq n LEU 97 N -4.15 3.30 -4.06 1.67 4.77 -1.06 -5.01 117.00 112.45 2jgq n LEU 97 Ca -0.01 -2.16 -0.45 0.00 -0.03 0.00 0.00 56.01 53.36 2jgq n LEU 97 Cb 0.37 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2jgq n LEU 97 CO 0.40 0.76 -0.17 0.29 -1.33 0.00 0.00 177.39 177.34 2jgq n LYS 98 N 0.57 -0.35 -3.05 3.23 5.02 -0.85 -4.91 118.16 117.82 2jgq n LYS 98 Ca 0.15 0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 56.11 2jgq n LYS 98 Cb 0.54 -2.68 -0.06 0.00 -0.02 0.00 0.00 35.03 32.81 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 -7.34 3.26 0.93 1.97 2.02 -0.83 -4.99 118.70 113.72 2jgq s GLU 99 Ca 0.48 -0.47 -0.12 0.00 0.02 0.00 0.00 54.97 54.88 2jgq s GLU 99 Cb -0.26 -4.01 0.15 0.00 0.10 0.00 0.00 34.13 30.11 2jgq s GLU 99 CO 0.97 -1.18 1.12 -1.54 0.02 0.00 0.00 175.26 174.64 2jgq s SER 100 N 2.39 3.26 0.28 -0.19 1.04 -1.26 -4.52 113.70 114.70 2jgq s SER 100 Ca 0.23 1.08 -0.03 0.00 0.48 0.00 0.00 55.95 57.70 2jgq s SER 100 Cb -0.15 -1.70 0.38 0.00 0.10 0.00 0.00 66.02 64.65 2jgq s SER 100 CO 0.17 -2.72 1.94 -0.65 0.98 0.00 0.00 173.24 172.97 2jgq h PRO 101 N -1.61 1.18 -0.63 4.02 0.11 -1.99 -1.37 132.00 131.72 2jgq h PRO 101 Ca -0.52 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.47 2jgq h PRO 101 Cb 1.33 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2jgq h PRO 101 CO 0.60 0.78 0.20 0.66 -0.21 0.00 0.00 178.00 180.03 2jgq h SER 102 N 1.21 0.91 -0.52 -2.05 4.64 -1.99 0.09 113.55 115.85 2jgq h SER 102 Ca 0.35 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2jgq h SER 102 Cb -0.09 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 2jgq h SER 102 CO -0.09 0.87 0.15 0.15 -0.87 0.00 0.00 176.83 177.04 2jgq h PHE 103 N 0.89 0.85 -0.42 4.77 3.57 -1.81 -0.45 116.94 124.35 2jgq h PHE 103 Ca 0.20 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2jgq h PHE 103 Cb 0.28 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2jgq h PHE 103 CO 0.02 0.74 0.01 -0.07 -2.23 0.00 0.00 178.31 176.77 2jgq h LEU 104 N 0.71 0.63 -0.74 0.59 3.38 -0.97 -1.64 115.31 117.27 2jgq h LEU 104 Ca 0.16 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2jgq h LEU 104 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jgq h LEU 104 CO -0.00 0.70 -0.25 0.50 0.09 0.00 0.00 178.44 179.48 2jgq h LYS 105 N 0.63 0.70 -0.93 1.13 3.64 -0.54 -0.69 116.57 120.50 2jgq h LYS 105 Ca 0.13 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2jgq h LYS 105 Cb 0.39 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 2jgq h LYS 105 CO 0.01 0.88 0.55 0.93 -2.27 0.00 0.00 179.45 179.55 2jgq h GLU 106 N 0.61 1.28 -0.20 1.90 5.08 -0.33 -1.19 114.58 121.72 2jgq h GLU 106 Ca 0.08 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2jgq h GLU 106 Cb 0.74 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jgq h GLU 106 CO 0.06 0.90 -0.22 0.87 -1.00 0.00 0.00 179.01 179.62 2jgq h LYS 107 N 1.29 0.51 0.40 2.33 1.57 -0.88 -2.26 116.57 119.54 2jgq h LYS 107 Ca 0.33 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2jgq h LYS 107 Cb -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jgq h LYS 107 CO -0.06 0.86 -0.26 0.35 -0.57 0.00 0.00 179.45 179.77 2jgq h PHE 108 N 0.19 -0.68 -0.62 -1.35 3.57 -0.90 -0.70 116.94 116.45 2jgq h PHE 108 Ca 0.03 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2jgq h PHE 108 Cb 0.78 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 2jgq h PHE 108 CO 0.08 -0.40 0.31 -0.44 -2.23 0.00 0.00 178.31 175.63 2jgq h ASP 109 N -0.64 0.42 0.37 0.41 3.32 -1.28 0.99 116.42 120.00 2jgq h ASP 109 Ca -0.04 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2jgq h ASP 109 Cb 0.53 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2jgq h ASP 109 CO 0.04 0.27 -0.18 0.15 -1.72 0.00 0.00 179.24 177.80 2jgq h PHE 110 N 0.56 -0.46 0.00 4.55 3.57 -1.18 -1.84 116.94 122.15 2jgq h PHE 110 Ca 0.29 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2jgq h PHE 110 Cb 0.25 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2jgq h PHE 110 CO -0.11 -0.18 -0.21 0.74 -2.23 0.00 0.00 178.31 176.33 2jgq h PHE 111 N -0.68 0.00 -0.42 0.41 0.04 -1.03 -1.78 116.94 113.48 2jgq h PHE 111 Ca -0.05 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 2jgq h PHE 111 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2jgq h PHE 111 CO -0.01 0.21 -0.20 -0.22 -0.60 0.00 0.00 178.31 177.49 2jgq h LYS 112 N 0.00 0.87 0.00 1.51 3.64 -0.74 -0.96 116.57 120.89 2jgq h LYS 112 Ca -0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2jgq h LYS 112 Cb 0.65 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2jgq h LYS 112 CO 0.03 1.02 0.00 0.66 -2.27 0.00 0.00 179.45 178.89 2jgq h SER 113 N 0.69 0.00 -0.52 4.20 4.64 -0.45 0.13 113.55 122.25 2jgq h SER 113 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2jgq h SER 113 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2jgq h SER 113 CO 0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 2jgq n LYS 114 N -2.77 2.37 -1.89 4.77 4.76 -0.89 -4.94 118.16 119.57 2jgq n LYS 114 Ca -0.00 -2.11 -0.18 0.00 -2.87 0.00 0.00 58.31 53.14 2jgq n LYS 114 Cb 0.18 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.84 2jgq n LYS 114 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2jgq n ASN 115 N 1.24 -5.29 -4.76 4.39 5.03 0.47 -4.98 115.26 111.36 2jgq n ASN 115 Ca 0.20 0.25 -0.33 0.00 0.87 0.00 0.00 54.58 55.57 2jgq n ASN 115 Cb 0.52 -4.39 0.05 0.00 -1.02 0.00 0.00 39.78 34.94 2jgq n ASN 115 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2jgq s PHE 116 N -2.79 2.53 -0.21 3.10 0.40 -0.42 -4.98 117.98 115.62 2jgq s PHE 116 Ca 0.00 1.56 -0.22 0.00 -0.60 0.00 0.00 56.93 57.67 2jgq s PHE 116 Cb 0.00 -3.21 -0.02 0.00 0.51 0.00 0.00 43.02 40.30 2jgq s PHE 116 CO 0.00 -1.82 0.69 0.21 0.70 0.00 0.00 175.22 175.00 2jgq s LYS 117 N -4.06 4.20 -0.20 0.44 2.20 -0.35 -4.78 119.74 117.20 2jgq s LYS 117 Ca 0.68 0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 56.97 2jgq s LYS 117 Cb -0.22 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 2jgq s LYS 117 CO 0.42 -0.32 -0.02 0.42 -0.36 0.00 0.00 175.35 175.48 2jgq s ILE 118 N 2.19 3.74 -0.63 5.43 1.01 -0.49 -1.72 121.20 130.73 2jgq s ILE 118 Ca 0.31 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 2jgq s ILE 118 Cb -0.16 -2.68 0.16 0.00 0.01 0.00 0.00 42.46 39.79 2jgq s ILE 118 CO 0.10 0.44 0.57 -0.69 0.00 0.00 0.00 174.94 175.35 2jgq s VAL 119 N 1.05 5.12 -0.20 2.92 1.01 -0.54 -0.39 120.40 129.36 2jgq s VAL 119 Ca 0.01 -1.95 -0.21 0.00 0.00 0.00 0.00 61.98 59.83 2jgq s VAL 119 Cb -0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2jgq s VAL 119 CO 0.01 -0.91 0.66 -0.47 0.00 0.00 0.00 175.10 174.39 2jgq s TYR 120 N 0.98 3.36 -0.03 5.22 5.04 0.79 -1.89 117.35 130.83 2jgq s TYR 120 Ca 0.09 0.95 -0.12 0.00 -2.44 0.00 0.00 57.07 55.56 2jgq s TYR 120 Cb -0.22 -2.84 -0.05 0.00 0.35 0.00 0.00 41.96 39.20 2jgq s TYR 120 CO -0.02 -0.21 0.32 0.00 -1.34 0.00 0.00 175.55 174.30 2jgq s ILE 122 N -1.10 0.12 0.00 0.00 -0.00 -0.59 -4.66 121.20 114.98 2jgq s ILE 122 Ca 0.22 -1.82 0.00 0.00 -0.00 0.00 0.00 60.65 59.05 2jgq s ILE 122 Cb -0.15 -1.90 0.00 0.00 -0.00 0.00 0.00 42.46 40.41 2jgq s ILE 122 CO 0.11 -0.56 0.00 0.61 -0.00 0.00 0.00 174.94 175.10 2jgq n GLY 123 N -0.07 2.87 3.85 6.27 0.00 -1.26 -0.58 105.19 116.28 2jgq n GLY 123 Ca -0.08 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.81 2.87 0.62 1.61 1.03 -1.26 -4.66 118.70 117.11 2jgq s GLU 124 Ca 0.00 -1.14 -0.10 0.00 0.03 0.00 0.00 54.97 53.76 2jgq s GLU 124 Cb 0.00 -2.55 -0.02 0.00 -0.80 0.00 0.00 34.13 30.75 2jgq s GLU 124 CO 0.00 0.26 1.01 -1.21 -1.33 0.00 0.00 175.26 173.99 2jgq s GLU 125 N -3.92 3.35 0.30 -4.83 0.41 -1.26 -1.57 118.70 111.18 2jgq s GLU 125 Ca 0.37 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 2jgq s GLU 125 Cb -0.07 -2.11 0.51 0.00 -1.78 0.00 0.00 34.13 30.68 2jgq s GLU 125 CO 0.26 -0.66 1.91 1.25 -0.49 0.00 0.00 175.26 177.53 2jgq h LEU 126 N -0.33 0.92 -0.73 1.80 5.85 -1.97 -2.31 115.31 118.54 2jgq h LEU 126 Ca -0.45 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2jgq h LEU 126 Cb 1.21 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 2jgq h LEU 126 CO 0.62 0.60 0.43 0.71 -0.34 0.00 0.00 178.44 180.46 2jgq h THR 127 N 1.05 1.01 -0.23 1.05 1.35 -1.98 0.04 112.91 115.19 2jgq h THR 127 Ca 0.39 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.96 2jgq h THR 127 Cb 0.17 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.72 2jgq h THR 127 CO -0.14 0.15 0.11 0.74 -0.25 0.00 0.00 175.52 176.12 2jgq h THR 128 N 0.81 1.15 -0.78 6.82 2.02 -1.81 -2.36 112.91 118.77 2jgq h THR 128 Ca 0.32 -0.44 0.14 0.00 0.77 0.00 0.00 66.41 67.20 2jgq h THR 128 Cb 0.15 1.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.48 2jgq h THR 128 CO -0.17 0.15 0.35 -0.09 0.37 0.00 0.00 175.52 176.13 2jgq h ARG 129 N 0.24 0.50 0.00 6.66 9.65 -0.98 -0.05 114.38 130.39 2jgq h ARG 129 Ca 0.08 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2jgq h ARG 129 Cb 0.14 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2jgq h ARG 129 CO -0.01 0.33 0.00 0.39 2.80 0.00 0.00 179.97 183.48 2jgq n GLU 130 N -4.95 0.08 0.02 0.20 1.02 -0.08 -2.73 120.64 114.22 2jgq n GLU 130 Ca 0.15 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.70 2jgq n GLU 130 Cb 0.40 -1.64 0.41 0.00 -0.02 0.00 0.00 31.44 30.59 2jgq n GLU 130 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jgq n LYS 131 N -1.80 0.08 0.00 3.49 4.76 -0.03 -5.04 118.16 119.62 2jgq n LYS 131 Ca 0.04 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2jgq n LYS 131 Cb 0.22 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2jgq n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jgq n GLY 132 N 1.45 1.52 0.14 0.72 0.00 -1.10 -4.70 105.19 103.21 2jgq n GLY 132 Ca 0.06 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 2jgq n GLY 132 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jgq h PHE 133 N 0.00 0.39 -0.72 1.61 0.04 -1.91 -2.81 116.94 113.54 2jgq h PHE 133 Ca 0.00 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.79 2jgq h PHE 133 Cb 0.00 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 2jgq h PHE 133 CO 0.00 0.37 0.44 0.87 -0.60 0.00 0.00 178.31 179.39 2jgq h LYS 134 N 0.30 0.81 -0.81 1.51 1.57 -1.97 -1.00 116.57 116.98 2jgq h LYS 134 Ca 0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2jgq h LYS 134 Cb 0.13 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2jgq h LYS 134 CO -0.01 0.53 0.38 0.00 -0.57 0.00 0.00 179.45 179.78 2jgq h ALA 135 N 1.33 1.15 -0.17 3.86 0.00 -1.82 -0.37 119.26 123.25 2jgq h ALA 135 Ca 0.31 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2jgq h ALA 135 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jgq h ALA 135 CO -0.14 0.64 -0.32 0.28 0.00 0.00 0.00 179.25 179.71 2jgq h VAL 136 N 1.15 1.35 -0.35 0.00 2.07 -1.20 -1.62 116.25 117.64 2jgq h VAL 136 Ca 0.28 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2jgq h VAL 136 Cb 0.12 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2jgq h VAL 136 CO -0.03 0.47 0.23 0.11 0.02 0.00 0.00 177.57 178.37 2jgq h LYS 137 N 0.16 0.47 -0.09 1.57 1.57 -1.03 -0.65 116.57 118.58 2jgq h LYS 137 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jgq h LYS 137 Cb 0.91 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2jgq h LYS 137 CO 0.07 0.31 0.05 0.93 -0.57 0.00 0.00 179.45 180.24 2jgq h GLU 138 N 0.48 0.12 0.40 3.15 4.39 -1.06 0.31 114.58 122.36 2jgq h GLU 138 Ca 0.13 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2jgq h GLU 138 Cb -0.05 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2jgq h GLU 138 CO -0.03 0.13 -0.22 0.35 -1.16 0.00 0.00 179.01 178.08 2jgq h PHE 139 N 0.07 -0.59 -0.60 4.33 3.04 -1.11 -0.85 116.94 121.24 2jgq h PHE 139 Ca 0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2jgq h PHE 139 Cb 0.05 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 2jgq h PHE 139 CO -0.05 -0.35 0.38 -0.07 -2.02 0.00 0.00 178.31 176.19 2jgq h LEU 140 N -0.58 0.71 -1.65 0.59 3.38 -1.09 -1.94 115.31 114.73 2jgq h LEU 140 Ca -0.05 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2jgq h LEU 140 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2jgq h LEU 140 CO 0.06 0.53 -0.20 0.77 0.09 0.00 0.00 178.44 179.69 2jgq h SER 141 N 0.81 0.00 0.28 -0.43 4.64 -0.82 -1.60 113.55 116.44 2jgq h SER 141 Ca 0.22 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 2jgq h SER 141 Cb -0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2jgq h SER 141 CO -0.04 0.20 -0.62 -0.08 -0.87 0.00 0.00 176.83 175.41 2jgq h GLU 142 N 0.00 0.33 -0.23 4.77 4.81 -0.46 -2.75 114.58 121.05 2jgq h GLU 142 Ca -0.00 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 2jgq h GLU 142 Cb 0.39 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2jgq h GLU 142 CO 0.03 0.85 -0.41 1.96 -0.73 0.00 0.00 179.01 180.71 2jgq h GLN 143 N 0.24 0.54 0.00 1.92 4.20 -0.59 -2.94 115.11 118.47 2jgq h GLN 143 Ca -0.01 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2jgq h GLN 143 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 2jgq h GLN 143 CO 0.10 0.85 0.00 -0.07 -0.67 0.00 0.00 178.83 179.05 2jgq h LEU 144 N 0.44 0.00 -1.65 1.46 3.38 -1.27 -2.97 115.31 114.70 2jgq h LEU 144 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2jgq h LEU 144 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2jgq h LEU 144 CO 0.08 0.00 -0.15 -0.33 0.09 0.00 0.00 178.44 178.13 2jgq h GLU 145 N 0.00 0.00 0.00 1.13 4.39 -1.30 -2.94 114.58 115.87 2jgq h GLU 145 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jgq h GLU 145 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2jgq h GLU 145 CO 0.00 0.15 0.00 -0.97 -1.16 0.00 0.00 179.01 177.03 2jgq h ASN 146 N 0.00 0.00 -4.32 1.42 -1.24 -1.63 -3.46 115.58 106.35 2jgq h ASN 146 Ca -0.00 0.00 -0.43 0.00 0.71 0.00 0.00 56.30 56.57 2jgq h ASN 146 Cb 0.48 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.44 2jgq h ASN 146 CO 0.02 0.00 -0.34 2.30 -1.29 0.00 0.00 177.43 178.12 2jgq n ILE 147 N -2.61 0.00 -3.37 2.57 -5.35 -1.11 -4.73 119.36 104.77 2jgq n ILE 147 Ca 0.01 -1.69 -0.45 0.00 -0.27 0.00 0.00 62.75 60.35 2jgq n ILE 147 Cb 0.21 0.46 -0.06 0.00 -1.74 0.00 0.00 39.64 38.52 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 -2.89 6.11 0.00 7.28 -1.08 -1.26 -4.93 116.67 119.90 2jgq s ASP 148 Ca 0.07 -1.88 0.08 0.00 -0.52 0.00 0.00 52.55 50.30 2jgq s ASP 148 Cb 0.00 -2.16 0.36 0.00 -1.46 0.00 0.00 42.92 39.66 2jgq s ASP 148 CO 0.05 -0.80 1.25 0.18 0.52 0.00 0.00 175.17 176.36 2jgq n LEU 149 N 5.09 0.00 -0.83 -1.34 4.77 -1.26 -2.46 117.00 120.96 2jgq n LEU 149 Ca -0.11 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.45 2jgq n LEU 149 Cb 0.41 -0.48 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 2jgq n LEU 149 CO 0.50 -0.34 0.58 0.59 -1.33 0.00 0.00 177.39 177.40 2jgq n ASN 150 N -1.48 2.77 -4.63 -1.43 5.03 -1.26 -4.24 115.26 110.02 2jgq n ASN 150 Ca 0.02 -1.85 -0.43 0.00 0.87 0.00 0.00 54.58 53.20 2jgq n ASN 150 Cb 0.09 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 2jgq n ASN 150 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2jgq s TYR 151 N -1.58 1.70 0.67 3.10 5.04 -1.03 -4.86 117.35 120.39 2jgq s TYR 151 Ca 0.25 0.34 0.37 0.00 -2.44 0.00 0.00 57.07 55.59 2jgq s TYR 151 Cb 0.17 -4.03 2.01 0.00 0.35 0.00 0.00 41.96 40.46 2jgq s TYR 151 CO 0.25 -3.74 2.14 -1.00 -1.34 0.00 0.00 175.55 171.85 2jgq h PRO 152 N 11.85 0.00 -1.01 4.97 0.13 -1.91 -2.26 132.00 143.77 2jgq h PRO 152 Ca -0.39 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.23 2jgq h PRO 152 Cb 1.19 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.03 2jgq h PRO 152 CO 0.98 0.00 0.65 -1.71 -0.23 0.00 0.00 178.00 177.69 2jgq n ASN 153 N -3.00 4.12 -4.86 1.44 4.05 -1.26 -4.94 115.26 110.80 2jgq n ASN 153 Ca -0.02 -3.55 -0.37 0.00 0.45 0.00 0.00 54.58 51.08 2jgq n ASN 153 Cb 0.24 -0.84 -0.06 0.00 1.23 0.00 0.00 39.78 40.35 2jgq n ASN 153 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2jgq s LEU 154 N -3.19 4.42 -0.05 1.20 2.96 -0.85 -1.40 118.68 121.77 2jgq s LEU 154 Ca 0.55 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 2jgq s LEU 154 Cb 0.46 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.93 2jgq s LEU 154 CO 0.09 0.38 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.74 2jgq s VAL 155 N -1.04 0.80 -0.17 1.68 1.01 0.48 -4.11 120.40 119.04 2jgq s VAL 155 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 2jgq s VAL 155 Cb -0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2jgq s VAL 155 CO 0.07 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 2jgq s VAL 156 N 0.82 4.10 -0.26 2.92 1.01 -0.67 -0.15 120.40 128.17 2jgq s VAL 156 Ca -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2jgq s VAL 156 Cb -0.15 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.44 2jgq s VAL 156 CO 0.01 0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.56 2jgq s ALA 157 N 0.46 2.78 -0.32 5.51 0.00 -0.37 -0.45 121.76 129.37 2jgq s ALA 157 Ca -0.02 -1.48 -0.18 0.00 0.00 0.00 0.00 51.96 50.28 2jgq s ALA 157 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2jgq s ALA 157 CO 0.02 -0.87 0.50 -0.47 0.00 0.00 0.00 175.76 174.95 2jgq s TYR 158 N 1.35 3.20 -0.34 0.00 5.04 0.51 -1.54 117.35 125.58 2jgq s TYR 158 Ca 0.00 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 2jgq s TYR 158 Cb -0.17 -2.85 0.11 0.00 0.35 0.00 0.00 41.96 39.40 2jgq s TYR 158 CO -0.03 -0.46 0.12 -1.21 -1.34 0.00 0.00 175.55 172.63 2jgq s GLU 159 N 2.35 0.92 0.20 4.97 2.02 0.25 -1.12 118.70 128.30 2jgq s GLU 159 Ca 0.19 -1.36 -0.32 0.00 0.02 0.00 0.00 54.97 53.50 2jgq s GLU 159 Cb -0.15 -2.22 -0.13 0.00 0.10 0.00 0.00 34.13 31.73 2jgq s GLU 159 CO 0.12 -1.01 1.66 -0.35 0.02 0.00 0.00 175.26 175.70 2jgq n PRO 160 N 4.53 2.57 -0.21 0.39 -0.04 -1.26 -4.17 135.00 136.81 2jgq n PRO 160 Ca 0.01 0.92 0.14 0.00 -0.04 0.00 0.00 63.50 64.53 2jgq n PRO 160 Cb 0.41 -2.74 0.45 0.00 -0.04 0.00 0.00 33.50 31.58 2jgq n PRO 160 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jgq h ILE 161 N 3.68 0.82 0.00 0.52 1.08 -1.55 0.19 117.51 122.24 2jgq h ILE 161 Ca -0.44 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2jgq h ILE 161 Cb 1.22 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2jgq h ILE 161 CO 0.92 0.10 0.00 -2.67 -0.69 0.00 0.00 178.15 175.80 2jgq n TRP 162 N -4.51 0.00 0.35 1.37 4.27 -1.26 -2.69 117.44 114.98 2jgq n TRP 162 Ca 0.15 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.80 2jgq n TRP 162 Cb 0.49 -0.12 -0.02 0.00 -1.36 0.00 0.00 31.31 30.30 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 -1.12 2.81 -2.67 -1.67 0.00 0.05 -4.73 120.51 113.18 2jgq n ALA 163 Ca 0.12 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2jgq n ALA 163 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.37 4.77 -0.71 0.00 1.01 -1.09 -2.05 121.20 121.75 2jgq s ILE 164 Ca 0.05 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.60 2jgq s ILE 164 Cb 0.06 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2jgq s ILE 164 CO 0.24 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2jgq n GLY 165 N 3.33 0.26 3.92 6.18 0.00 -1.26 -4.95 105.19 112.67 2jgq n GLY 165 Ca 0.09 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2jgq n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jgq s THR 166 N -2.37 2.34 0.00 2.61 2.01 -1.24 -5.06 115.64 113.93 2jgq s THR 166 Ca 0.00 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.70 2jgq s THR 166 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.87 2jgq s THR 166 CO 0.00 0.00 0.00 1.17 -0.69 0.00 0.00 174.62 175.10 2jgq n LYS 167 N -1.74 0.00 -0.40 4.92 4.81 -1.26 -4.75 118.16 119.75 2jgq n LYS 167 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2jgq n LYS 167 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 2jgq n LYS 167 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jgq n SER 169 N 0.00 -3.05 -4.76 3.14 2.88 -1.26 -5.72 113.62 104.85 2jgq n SER 169 Ca 0.00 0.19 -0.40 0.00 -1.33 0.00 0.00 58.87 57.34 2jgq n SER 169 Cb 0.00 -0.35 0.02 0.00 -0.75 0.00 0.00 64.21 63.13 2jgq n SER 169 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jgq s ALA 170 N -0.84 3.20 0.74 -1.46 0.00 -1.26 -4.99 121.76 117.16 2jgq s ALA 170 Ca 0.00 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 2jgq s ALA 170 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.59 2jgq s ALA 170 CO 0.00 -1.15 1.09 -1.54 0.00 0.00 0.00 175.76 174.16 2jgq s SER 171 N -0.59 4.76 0.31 0.00 1.04 -1.26 -4.82 113.70 113.14 2jgq s SER 171 Ca 0.61 1.80 0.02 0.00 0.48 0.00 0.00 55.95 58.87 2jgq s SER 171 Cb -0.42 -2.52 0.52 0.00 0.10 0.00 0.00 66.02 63.70 2jgq s SER 171 CO 0.54 -1.86 1.84 -0.07 0.98 0.00 0.00 173.24 174.67 2jgq h LEU 172 N -0.91 0.57 -0.60 2.42 3.38 -1.98 0.89 115.31 119.08 2jgq h LEU 172 Ca -0.44 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 2jgq h LEU 172 Cb 1.23 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2jgq h LEU 172 CO 0.53 0.64 0.27 -0.33 0.09 0.00 0.00 178.44 179.63 2jgq h GLU 173 N 0.58 0.87 0.03 1.13 3.07 -1.99 0.22 114.58 118.50 2jgq h GLU 173 Ca 0.12 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2jgq h GLU 173 Cb 0.36 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2jgq h GLU 173 CO 0.01 0.72 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.89 2jgq h ASP 174 N 0.82 -0.04 -0.69 1.42 3.45 -1.67 -2.07 116.42 117.65 2jgq h ASP 174 Ca 0.20 -0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.52 2jgq h ASP 174 Cb 0.15 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 2jgq h ASP 174 CO -0.02 0.04 0.14 0.40 -1.57 0.00 0.00 179.24 178.23 2jgq h ILE 175 N -0.12 1.26 -0.12 0.35 2.04 -0.63 -0.59 117.51 119.70 2jgq h ILE 175 Ca -0.00 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2jgq h ILE 175 Cb 0.10 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2jgq h ILE 175 CO 0.01 0.39 0.07 0.22 0.00 0.00 0.00 178.15 178.83 2jgq h TYR 176 N 1.05 0.17 -0.10 1.37 3.20 -0.48 -1.50 116.97 120.69 2jgq h TYR 176 Ca 0.21 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2jgq h TYR 176 Cb 0.41 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2jgq h TYR 176 CO 0.03 0.19 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.45 2jgq h LEU 177 N 0.10 0.36 0.05 2.82 3.38 -1.31 -1.92 115.31 118.80 2jgq h LEU 177 Ca 0.04 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 2jgq h LEU 177 Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jgq h LEU 177 CO -0.01 0.87 -0.03 0.74 0.09 0.00 0.00 178.44 180.11 2jgq h THR 178 N -0.13 1.05 -0.01 0.22 2.02 -1.15 -1.88 112.91 113.04 2jgq h THR 178 Ca -0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2jgq h THR 178 Cb 0.82 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2jgq h THR 178 CO 0.05 0.09 -0.13 0.45 0.37 0.00 0.00 175.52 176.34 2jgq h HIS 179 N -0.22 0.01 -0.50 3.16 3.86 -1.38 -0.94 115.15 119.13 2jgq h HIS 179 Ca -0.01 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 2jgq h HIS 179 Cb 0.20 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2jgq h HIS 179 CO -0.02 0.14 -0.02 0.78 0.86 0.00 0.00 177.93 179.67 2jgq h GLY 180 N 0.42 0.92 0.55 2.45 0.00 -0.91 -0.53 103.07 105.97 2jgq h GLY 180 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 2jgq h GLY 180 CO 0.02 0.60 -0.12 -2.75 0.00 0.00 0.00 176.54 174.28 2jgq h PHE 181 N 0.79 0.21 -0.96 5.60 3.57 -0.57 -3.23 116.94 122.36 2jgq h PHE 181 Ca 0.15 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.68 2jgq h PHE 181 Cb 0.50 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 2jgq h PHE 181 CO 0.03 0.72 0.61 -0.07 -2.23 0.00 0.00 178.31 177.37 2jgq h LEU 182 N -0.36 0.86 -2.90 0.59 3.38 -1.01 0.95 115.31 116.83 2jgq h LEU 182 Ca -0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jgq h LEU 182 Cb 0.72 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jgq h LEU 182 CO 0.03 0.48 -0.00 0.11 0.09 0.00 0.00 178.44 179.14 2jgq h LYS 183 N 0.94 0.00 0.00 1.13 1.79 -1.11 0.24 116.57 119.55 2jgq h LYS 183 Ca 0.46 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.84 2jgq h LYS 183 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2jgq h LYS 183 CO -0.22 0.00 -0.50 1.96 -1.08 0.00 0.00 179.45 179.61 2jgq h GLN 184 N 0.00 0.00 0.00 3.15 4.20 -0.86 -3.35 115.11 118.26 2jgq h GLN 184 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 2jgq h GLN 184 Cb 0.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 2jgq h GLN 184 CO 0.00 0.37 -2.14 -0.89 -0.67 0.00 0.00 178.83 175.50 2jgq n ILE 185 N -3.16 1.39 -2.80 2.54 2.08 -0.08 -5.00 119.36 114.33 2jgq n ILE 185 Ca 0.01 -0.82 -0.28 0.00 0.56 0.00 0.00 62.75 62.23 2jgq n ILE 185 Cb 0.70 -0.62 -0.01 0.00 -0.75 0.00 0.00 39.64 38.96 2jgq n ILE 185 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2jgq s LEU 186 N -5.63 3.74 0.36 1.39 1.43 -0.32 -5.04 118.68 114.61 2jgq s LEU 186 Ca -0.08 0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 2jgq s LEU 186 Cb 0.07 -3.84 -0.11 0.00 0.03 0.00 0.00 46.19 42.35 2jgq s LEU 186 CO 0.83 -0.48 1.42 0.21 0.23 0.00 0.00 176.35 178.55 2jgq s ASN 187 N -3.81 6.51 0.62 2.29 3.84 -1.26 -4.86 114.94 118.27 2jgq s ASN 187 Ca 0.47 2.91 0.39 0.00 0.21 0.00 0.00 52.86 56.84 2jgq s ASN 187 Cb -0.10 -2.66 2.07 0.00 -0.55 0.00 0.00 41.25 40.00 2jgq s ASN 187 CO 0.40 -0.74 2.26 0.06 -2.79 0.00 0.00 177.10 176.29 2jgq h GLN 188 N 3.15 0.00 0.00 0.43 -0.00 -1.95 -1.87 115.11 114.86 2jgq h GLN 188 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 2jgq h GLN 188 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 2jgq h GLN 188 CO 0.65 0.02 -0.36 1.63 -0.00 0.00 0.00 178.83 180.76 2jgq n LYS 189 N -3.27 0.03 -2.56 0.06 5.02 -1.26 -4.86 118.16 111.32 2jgq n LYS 189 Ca -0.02 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 2jgq n LYS 189 Cb 0.13 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 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 -3.02 4.50 0.25 -0.18 2.01 -0.71 -5.00 115.64 113.50 2jgq s THR 190 Ca 0.11 1.80 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 2jgq s THR 190 Cb 0.17 -4.16 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 2jgq s THR 190 CO 0.65 -0.06 1.34 -2.84 -0.69 0.00 0.00 174.62 173.02 2jgq s PRO 191 N 2.61 4.35 -0.28 4.92 0.02 -1.26 -4.89 135.00 140.47 2jgq s PRO 191 Ca 0.51 2.17 -0.00 0.00 0.02 0.00 0.00 61.00 63.69 2jgq s PRO 191 Cb -0.20 -3.13 0.05 0.00 0.02 0.00 0.00 34.50 31.24 2jgq s PRO 191 CO 0.16 -0.27 -0.04 -1.17 -0.33 0.00 0.00 177.00 175.35 2jgq s LEU 192 N -0.70 3.72 0.10 -5.54 2.96 -1.26 -1.68 118.68 116.29 2jgq s LEU 192 Ca 0.55 -1.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.13 2jgq s LEU 192 Cb -0.39 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 2jgq s LEU 192 CO 0.44 -0.23 0.29 -0.76 -1.32 0.00 0.00 176.35 174.77 2jgq s LEU 193 N 1.20 4.31 -0.10 -0.68 1.43 0.41 -0.92 118.68 124.33 2jgq s LEU 193 Ca -0.06 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2jgq s LEU 193 Cb -0.20 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 2jgq s LEU 193 CO -0.03 0.11 0.02 -0.47 0.23 0.00 0.00 176.35 176.22 2jgq s TYR 194 N -1.59 3.23 0.02 0.29 5.04 -0.62 -0.36 117.35 123.36 2jgq s TYR 194 Ca 0.38 0.22 -0.04 0.00 -2.44 0.00 0.00 57.07 55.20 2jgq s TYR 194 Cb -0.12 -1.83 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 2jgq s TYR 194 CO 0.26 0.48 0.05 0.20 -1.34 0.00 0.00 175.55 175.20 2jgq s GLY 195 N -0.81 0.20 0.00 8.97 0.00 -0.27 -1.74 107.32 113.67 2jgq s GLY 195 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2jgq s GLY 195 CO 0.02 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.09 2jgq n GLY 196 N 1.16 1.58 2.21 0.20 0.00 -1.26 -4.02 105.19 105.06 2jgq n GLY 196 Ca -0.21 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.56 -4.74 1.61 7.64 -0.87 -4.28 113.62 109.41 2jgq n SER 197 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2jgq n SER 197 Cb 0.00 -2.77 -0.04 0.00 -1.01 0.00 0.00 64.21 60.39 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 -2.53 3.56 0.30 0.44 1.01 -1.26 -4.74 120.40 117.18 2jgq s VAL 198 Ca 0.00 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 2jgq s VAL 198 Cb 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2jgq s VAL 198 CO 0.00 0.25 0.36 0.54 0.00 0.00 0.00 175.10 176.25 2jgq s ASN 199 N -0.14 0.87 0.64 3.32 2.20 -1.26 -4.36 114.94 116.21 2jgq s ASN 199 Ca 0.50 -1.48 0.38 0.00 -0.94 0.00 0.00 52.86 51.33 2jgq s ASN 199 Cb -0.32 0.58 2.18 0.00 -2.00 0.00 0.00 41.25 41.68 2jgq s ASN 199 CO 0.38 -1.14 2.32 0.71 -2.94 0.00 0.00 177.10 176.44 2jgq h THR 200 N 2.22 0.22 0.22 0.54 1.35 -1.94 -1.47 112.91 114.06 2jgq h THR 200 Ca -0.28 -0.01 -0.32 0.00 -0.55 0.00 0.00 66.41 65.25 2jgq h THR 200 Cb 1.24 1.01 0.03 0.00 -1.73 0.00 0.00 68.15 68.70 2jgq h THR 200 CO 0.40 0.00 -1.45 1.56 -0.25 0.00 0.00 175.52 175.79 2jgq h GLN 201 N 0.00 0.46 -0.02 4.72 1.08 -1.98 -3.39 115.11 115.99 2jgq h GLN 201 Ca -0.00 -0.79 0.00 0.00 -1.45 0.00 0.00 58.65 56.41 2jgq h GLN 201 Cb 0.01 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2jgq h GLN 201 CO 0.00 1.38 -0.09 0.27 -0.95 0.00 0.00 178.83 179.44 2jgq n ASN 202 N -3.76 2.41 0.24 1.46 0.23 -1.12 -4.71 115.26 110.00 2jgq n ASN 202 Ca -0.19 -1.70 -0.12 0.00 -0.53 0.00 0.00 54.58 52.03 2jgq n ASN 202 Cb 1.05 0.11 -0.06 0.00 -2.08 0.00 0.00 39.78 38.79 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 3.63 -1.08 -0.80 -2.53 0.00 -1.46 -2.04 119.26 114.98 2jgq h ALA 203 Ca 0.00 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.96 2jgq h ALA 203 Cb 0.76 0.51 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2jgq h ALA 203 CO 0.00 -1.07 0.09 -0.22 0.00 0.00 0.00 179.25 178.04 2jgq h LYS 204 N -0.73 0.14 -0.11 0.00 3.64 -1.85 0.97 116.57 118.63 2jgq h LYS 204 Ca -0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jgq h LYS 204 Cb 0.60 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2jgq h LYS 204 CO 0.01 0.09 0.07 0.93 -2.27 0.00 0.00 179.45 178.28 2jgq h GLU 205 N 0.14 0.15 -0.90 1.90 5.08 -1.85 -2.27 114.58 116.84 2jgq h GLU 205 Ca 0.46 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.89 2jgq h GLU 205 Cb 0.86 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 2jgq h GLU 205 CO -0.66 0.15 0.55 0.82 -1.00 0.00 0.00 179.01 178.87 2jgq h ILE 206 N 0.11 1.00 0.00 3.13 2.04 -0.25 -0.44 117.51 123.10 2jgq h ILE 206 Ca 0.04 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2jgq h ILE 206 Cb 0.04 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 2jgq h ILE 206 CO -0.01 0.18 0.00 0.18 0.00 0.00 0.00 178.15 178.50 2jgq n LEU 207 N -4.63 0.23 0.05 1.44 4.77 0.14 -2.68 117.00 116.31 2jgq n LEU 207 Ca 0.14 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.82 2jgq n LEU 207 Cb 0.23 -0.53 0.51 0.00 -2.33 0.00 0.00 43.42 41.30 2jgq n LEU 207 CO 0.30 -0.39 0.91 0.61 -1.33 0.00 0.00 177.39 177.49 2jgq n GLY 208 N -0.13 -1.58 3.67 -0.72 0.00 -0.17 -4.76 105.19 101.49 2jgq n GLY 208 Ca 0.03 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2jgq n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgq s ILE 209 N -3.05 4.75 0.52 -0.61 1.09 -1.09 -4.94 121.20 117.88 2jgq s ILE 209 Ca 0.12 1.94 0.24 0.00 -1.10 0.00 0.00 60.65 61.85 2jgq s ILE 209 Cb 0.16 -4.27 0.38 0.00 -1.06 0.00 0.00 42.46 37.67 2jgq s ILE 209 CO 0.57 -0.08 2.00 0.44 -0.10 0.00 0.00 174.94 177.77 2jgq h ASP 210 N 7.34 0.04 -0.24 3.58 3.32 -1.91 -0.36 116.42 128.19 2jgq h ASP 210 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2jgq h ASP 210 Cb 1.10 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2jgq h ASP 210 CO 0.91 0.02 0.00 -1.54 -1.72 0.00 0.00 179.24 176.91 2jgq n SER 211 N -4.40 2.05 -4.17 6.45 3.41 -1.26 -4.65 113.62 111.06 2jgq n SER 211 Ca 0.09 -2.16 -0.36 0.00 -0.26 0.00 0.00 58.87 56.18 2jgq n SER 211 Cb 0.55 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.64 3.27 -1.61 -3.33 1.01 -0.15 -4.85 120.40 113.11 2jgq s VAL 212 Ca 0.19 -1.65 0.27 0.00 0.00 0.00 0.00 61.98 60.78 2jgq s VAL 212 Cb 0.12 -3.05 0.27 0.00 0.00 0.00 0.00 36.38 33.72 2jgq s VAL 212 CO 0.09 -0.39 1.61 0.47 0.00 0.00 0.00 175.10 176.88 2jgq n ASP 213 N 4.64 0.82 0.00 3.32 10.43 -0.10 -4.85 116.55 130.82 2jgq n ASP 213 Ca -0.08 -0.71 0.00 0.00 2.57 0.00 0.00 54.79 56.57 2jgq n ASP 213 Cb 0.43 0.10 0.00 0.00 1.84 0.00 0.00 41.12 43.48 2jgq n ASP 213 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2jgq n GLY 214 N 1.35 -1.40 3.07 0.44 0.00 -1.23 -1.54 105.19 105.89 2jgq n GLY 214 Ca 0.12 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 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 2.21 -0.30 0.99 1.43 0.45 -1.59 118.68 121.88 2jgq s LEU 215 Ca 0.00 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2jgq s LEU 215 Cb 0.00 -0.28 0.06 0.00 0.03 0.00 0.00 46.19 46.00 2jgq s LEU 215 CO 0.00 -0.12 -0.01 -0.22 0.23 0.00 0.00 176.35 176.23 2jgq s LEU 216 N -1.34 3.95 -0.24 1.79 2.96 -0.71 -0.41 118.68 124.67 2jgq s LEU 216 Ca -0.06 -1.42 -0.07 0.00 -0.22 0.00 0.00 54.13 52.36 2jgq s LEU 216 Cb -0.09 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2jgq s LEU 216 CO 0.01 -0.27 0.05 -0.63 -1.32 0.00 0.00 176.35 174.19 2jgq s ILE 217 N 1.18 4.18 0.00 6.68 1.01 0.24 -4.05 121.20 130.43 2jgq s ILE 217 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2jgq s ILE 217 Cb -0.20 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2jgq s ILE 217 CO -0.03 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2jgq n GLY 218 N 4.90 0.71 0.32 6.18 0.00 -1.26 -0.45 105.19 115.58 2jgq n GLY 218 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 2jgq n GLY 218 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jgq h SER 219 N 0.00 -0.98 -0.07 1.61 0.87 -1.90 -2.24 113.55 110.83 2jgq h SER 219 Ca 0.00 0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2jgq h SER 219 Cb 0.00 0.51 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2jgq h SER 219 CO 0.00 -0.28 0.06 0.00 -0.53 0.00 0.00 176.83 176.07 2jgq h ALA 220 N 1.15 1.86 0.00 6.23 0.00 -1.89 -2.71 119.26 123.90 2jgq h ALA 220 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jgq h ALA 220 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jgq h ALA 220 CO -0.65 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 177.38 2jgq n SER 221 N -4.21 0.00 0.00 0.00 3.41 -0.84 -3.75 113.62 108.23 2jgq n SER 221 Ca -0.01 0.03 0.07 0.00 -0.26 0.00 0.00 58.87 58.70 2jgq n SER 221 Cb 0.16 -0.34 0.44 0.00 -0.26 0.00 0.00 64.21 64.21 2jgq n SER 221 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2jgq n TRP 222 N -1.34 0.00 -4.03 7.33 8.01 -1.02 -4.20 117.44 122.18 2jgq n TRP 222 Ca 0.12 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 56.00 2jgq n TRP 222 Cb 0.25 -0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.40 2jgq n TRP 222 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 2jgq s GLU 223 N -2.01 1.90 0.27 -0.99 2.56 -1.25 -5.02 118.70 114.17 2jgq s GLU 223 Ca 0.22 -1.46 -0.04 0.00 0.00 0.00 0.00 54.97 53.69 2jgq s GLU 223 Cb 0.10 -2.93 0.55 0.00 2.00 0.00 0.00 34.13 33.85 2jgq s GLU 223 CO 0.17 -0.69 1.46 -0.11 -0.56 0.00 0.00 175.26 175.52 2jgq n LEU 224 N 4.42 -0.24 -0.37 2.70 7.94 -1.26 -0.13 117.00 130.05 2jgq n LEU 224 Ca -0.08 1.60 -0.01 0.00 -1.11 0.00 0.00 56.01 56.40 2jgq n LEU 224 Cb 0.42 -0.52 0.13 0.00 0.53 0.00 0.00 43.42 43.97 2jgq n LEU 224 CO 0.21 -1.57 1.29 -0.33 -1.11 0.00 0.00 177.39 175.88 2jgq h GLU 225 N 0.00 1.29 -0.10 1.96 4.39 -1.95 0.11 114.58 120.27 2jgq h GLU 225 Ca 0.50 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 2jgq h GLU 225 Cb 0.88 -0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2jgq h GLU 225 CO -0.93 0.85 0.06 -0.91 -1.16 0.00 0.00 179.01 176.92 2jgq h ASN 226 N 1.33 0.12 -0.27 1.42 -0.26 -0.81 -0.77 115.58 116.33 2jgq h ASN 226 Ca 0.37 -0.05 0.02 0.00 -0.56 0.00 0.00 56.30 56.09 2jgq h ASN 226 Cb -0.11 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.09 2jgq h ASN 226 CO -0.09 0.14 0.11 0.15 -1.06 0.00 0.00 177.43 176.67 2jgq h PHE 227 N 0.09 0.20 -0.68 1.19 -0.00 -0.98 -0.99 116.94 115.76 2jgq h PHE 227 Ca 0.04 0.01 0.12 0.00 -0.00 0.00 0.00 57.97 58.14 2jgq h PHE 227 Cb 0.04 -0.05 -0.09 0.00 -0.00 0.00 0.00 35.95 35.85 2jgq h PHE 227 CO -0.06 0.10 0.24 0.87 -0.00 0.00 0.00 178.31 179.46 2jgq h LYS 228 N 0.24 0.38 -0.55 1.11 1.57 -0.48 0.63 116.57 119.47 2jgq h LYS 228 Ca 0.12 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2jgq h LYS 228 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2jgq h LYS 228 CO -0.10 0.25 0.23 1.15 -0.57 0.00 0.00 179.45 180.40 2jgq h THR 229 N 0.39 1.22 -0.72 -0.16 2.02 -0.50 -2.55 112.91 112.61 2jgq h THR 229 Ca 0.36 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 2jgq h THR 229 Cb 0.53 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2jgq h THR 229 CO -0.38 0.26 0.36 0.40 0.37 0.00 0.00 175.52 176.53 2jgq h ILE 230 N 0.75 1.23 -0.71 3.11 2.04 0.11 -1.95 117.51 122.09 2jgq h ILE 230 Ca 0.19 -0.63 0.10 0.00 1.00 0.00 0.00 64.86 65.51 2jgq h ILE 230 Cb 0.19 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 2jgq h ILE 230 CO -0.02 0.27 0.47 0.40 0.00 0.00 0.00 178.15 179.27 2jgq h ILE 231 N 1.00 0.93 0.00 -0.67 2.04 -0.64 -0.72 117.51 119.45 2jgq h ILE 231 Ca 0.25 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2jgq h ILE 231 Cb 0.09 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2jgq h ILE 231 CO -0.03 0.11 0.00 0.77 0.00 0.00 0.00 178.15 179.00 2jgq h SER 232 N 0.60 0.00 0.54 1.72 4.64 -0.94 -1.93 113.55 118.18 2jgq h SER 232 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2jgq h SER 232 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2jgq h SER 232 CO -0.11 0.00 -0.60 0.49 -0.87 0.00 0.00 176.83 175.74 2jgq n PHE 233 N -2.65 0.13 0.00 4.77 3.72 -0.28 -5.13 117.46 118.02 2jgq n PHE 233 Ca -0.00 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2jgq n PHE 233 Cb 0.18 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 2jgq n PHE 233 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99