#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jal s GLY 2 N 0.00 -0.64 0.38 3.03 0.00 -1.26 -5.16 107.32 103.68 1jal s GLY 2 Ca 0.00 2.19 -0.23 0.00 0.00 0.00 0.00 44.72 46.68 1jal s GLY 2 CO 0.00 2.79 0.95 -1.36 0.00 0.00 0.00 173.10 175.48 1jal s PHE 3 N 2.57 3.47 -0.02 1.90 0.08 -1.26 -5.05 117.98 119.68 1jal s PHE 3 Ca -0.06 1.69 0.03 0.00 0.12 0.00 0.00 56.93 58.71 1jal s PHE 3 Cb -0.11 -2.88 -0.00 0.00 -0.57 0.00 0.00 43.02 39.46 1jal s PHE 3 CO -0.18 0.03 -0.11 0.15 -0.10 0.00 0.00 175.22 175.01 1jal s LYS 4 N -2.69 1.04 -0.27 0.44 1.02 -1.26 -4.27 119.74 113.76 1jal s LYS 4 Ca 0.57 -0.39 -0.11 0.00 0.02 0.00 0.00 55.97 56.06 1jal s LYS 4 Cb -0.13 -0.98 -0.05 0.00 -0.52 0.00 0.00 37.83 36.15 1jal s LYS 4 CO 0.18 0.19 0.18 0.00 -0.92 0.00 0.00 175.35 174.98 1jal s GLY 6 N 1.53 2.76 -0.22 0.00 0.00 0.20 -1.66 107.32 109.93 1jal s GLY 6 Ca 0.07 0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.96 1jal s GLY 6 CO 0.09 1.11 0.10 -0.42 0.00 0.00 0.00 173.10 173.98 1jal s ILE 7 N 0.12 4.85 0.08 0.90 -1.09 0.56 -0.65 121.20 125.96 1jal s ILE 7 Ca 0.38 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1jal s ILE 7 Cb -0.20 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1jal s ILE 7 CO 0.22 0.38 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.53 1jal s VAL 8 N 0.97 0.77 0.00 2.92 1.01 0.42 -1.54 120.40 124.94 1jal s VAL 8 Ca 0.05 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1jal s VAL 8 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1jal s VAL 8 CO 0.03 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1jal n GLY 9 N 0.80 3.98 3.40 4.51 0.00 -1.26 0.15 105.19 116.76 1jal n GLY 9 Ca -0.18 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1jal n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jal n LEU 10 N 0.00 -2.07 0.00 0.99 4.77 -1.26 -4.94 117.00 114.49 1jal n LEU 10 Ca 0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1jal n LEU 10 Cb 0.00 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1jal n LEU 10 CO 0.00 -3.32 0.02 -2.65 -1.33 0.00 0.00 177.39 170.11 1jal n PRO 11 N -4.22 0.00 -2.46 3.23 -0.02 -1.26 -3.73 135.00 126.54 1jal n PRO 11 Ca 0.02 0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.23 1jal n PRO 11 Cb 0.57 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 1jal n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jal n ASN 12 N -0.30 5.24 -0.00 2.55 4.13 -1.26 -4.80 115.26 120.82 1jal n ASN 12 Ca 0.00 -3.73 0.04 0.00 1.68 0.00 0.00 54.58 52.57 1jal n ASN 12 Cb 0.00 -0.60 -0.07 0.00 -1.54 0.00 0.00 39.78 37.57 1jal n ASN 12 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1jal n VAL 13 N -0.44 0.01 0.00 2.41 0.31 -1.24 -4.94 118.33 114.43 1jal n VAL 13 Ca 0.41 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1jal n VAL 13 Cb 0.54 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 1jal n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jal n GLY 14 N 1.99 1.34 0.17 2.92 0.00 -1.26 -4.21 105.19 106.15 1jal n GLY 14 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1jal n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jal h LYS 15 N 0.00 -0.23 -0.54 1.61 3.64 -1.89 -1.14 116.57 118.02 1jal h LYS 15 Ca 0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1jal h LYS 15 Cb 0.00 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1jal h LYS 15 CO 0.00 -0.15 0.18 0.77 -2.27 0.00 0.00 179.45 177.98 1jal h SER 16 N -0.24 0.17 0.61 4.20 0.02 -1.94 -0.34 113.55 116.02 1jal h SER 16 Ca 0.03 0.07 -0.26 0.00 -0.84 0.00 0.00 61.79 60.80 1jal h SER 16 Cb 0.28 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1jal h SER 16 CO -0.10 0.12 -1.55 0.00 -1.14 0.00 0.00 176.83 174.16 1jal h THR 17 N 0.36 0.89 0.20 -2.27 1.03 -1.88 -0.13 112.91 111.10 1jal h THR 17 Ca 0.26 -2.66 -0.01 0.00 -0.01 0.00 0.00 66.41 63.99 1jal h THR 17 Cb 0.31 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.80 1jal h THR 17 CO -0.28 0.51 -0.09 -0.07 -0.01 0.00 0.00 175.52 175.58 1jal h LEU 18 N 0.00 -0.22 -1.04 0.00 3.38 -1.18 -2.86 115.31 113.38 1jal h LEU 18 Ca -0.23 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1jal h LEU 18 Cb 1.90 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 1jal h LEU 18 CO 0.08 -0.10 -0.11 0.15 0.09 0.00 0.00 178.44 178.54 1jal h PHE 19 N -0.33 0.60 -0.46 1.13 3.57 -0.90 -1.04 116.94 119.51 1jal h PHE 19 Ca -0.03 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.27 1jal h PHE 19 Cb 0.25 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1jal h PHE 19 CO -0.05 0.65 -0.16 -0.91 -2.23 0.00 0.00 178.31 175.62 1jal h ASN 20 N 0.51 0.88 0.71 0.41 -0.26 -1.10 -2.89 115.58 113.85 1jal h ASN 20 Ca 0.09 -0.30 -0.14 0.00 -0.56 0.00 0.00 56.30 55.40 1jal h ASN 20 Cb 0.50 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1jal h ASN 20 CO 0.03 1.03 -0.65 0.00 -1.06 0.00 0.00 177.43 176.78 1jal h ALA 21 N 1.04 0.88 0.00 -0.83 0.00 -1.22 -0.56 119.26 118.57 1jal h ALA 21 Ca 0.12 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jal h ALA 21 Cb 0.68 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jal h ALA 21 CO 0.05 0.81 -0.01 -0.07 0.00 0.00 0.00 179.25 180.03 1jal h LEU 22 N 0.00 0.00 0.00 0.00 3.38 -1.05 -3.09 115.31 114.55 1jal h LEU 22 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1jal h LEU 22 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1jal h LEU 22 CO 0.08 0.01 -1.83 0.41 0.09 0.00 0.00 178.44 177.21 1jal n THR 23 N -4.22 0.31 0.44 0.22 -1.04 -0.49 -3.29 114.28 106.21 1jal n THR 23 Ca -0.03 -0.45 0.13 0.00 -2.04 0.00 0.00 64.05 61.66 1jal n THR 23 Cb 0.10 -0.09 0.42 0.00 -1.82 0.00 0.00 70.33 68.93 1jal n THR 23 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1jal h LYS 24 N 0.00 0.00 0.00 -2.82 1.79 -1.21 -3.48 116.57 110.85 1jal h LYS 24 Ca -0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1jal h LYS 24 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1jal h LYS 24 CO 0.01 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 1jal n ALA 25 N -1.88 0.00 -0.07 3.86 0.00 -1.17 -5.11 120.51 116.13 1jal n ALA 25 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1jal n ALA 25 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 1jal n ALA 25 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jal h THR 41 N 0.00 0.09 0.00 0.00 2.02 -1.96 -3.44 112.91 109.62 1jal h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jal h THR 41 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1jal h THR 41 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1jal n GLY 42 N -1.42 -0.69 3.72 2.16 0.00 -1.26 -4.69 105.19 103.01 1jal n GLY 42 Ca -0.03 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1jal n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jal s VAL 43 N -2.45 3.96 0.16 1.61 1.01 -1.26 -1.47 120.40 121.96 1jal s VAL 43 Ca 0.15 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1jal s VAL 43 Cb 0.10 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1jal s VAL 43 CO 0.20 0.13 -0.02 0.68 0.00 0.00 0.00 175.10 176.10 1jal s VAL 44 N 0.86 0.75 0.67 2.92 -7.23 0.42 -4.96 120.40 113.83 1jal s VAL 44 Ca 0.58 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.61 1jal s VAL 44 Cb -0.30 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1jal s VAL 44 CO 0.30 -0.56 1.14 -2.84 -0.31 0.00 0.00 175.10 172.84 1jal s PRO 45 N -3.88 2.62 -0.55 4.82 0.02 -1.26 -0.62 135.00 136.15 1jal s PRO 45 Ca 0.22 1.51 -0.18 0.00 0.02 0.00 0.00 61.00 62.57 1jal s PRO 45 Cb 0.06 -1.92 0.09 0.00 0.02 0.00 0.00 34.50 32.75 1jal s PRO 45 CO 0.03 -1.41 0.62 -1.64 -0.33 0.00 0.00 177.00 174.27 1jal s MET 46 N -4.00 3.05 -0.08 5.54 -1.94 0.77 -4.67 119.30 117.97 1jal s MET 46 Ca 0.69 -1.27 -0.32 0.00 -1.71 0.00 0.00 55.69 53.09 1jal s MET 46 Cb -0.23 -4.21 -0.10 0.00 2.01 0.00 0.00 34.83 32.30 1jal s MET 46 CO 0.42 -1.38 2.00 -0.35 -0.01 0.00 0.00 175.02 175.70 1jal n PRO 47 N 6.02 2.33 -3.25 2.03 -0.04 -1.26 -4.57 135.00 136.27 1jal n PRO 47 Ca -0.10 0.82 -0.03 0.00 -0.04 0.00 0.00 63.50 64.15 1jal n PRO 47 Cb 0.43 -2.88 -0.04 0.00 -0.04 0.00 0.00 33.50 30.97 1jal n PRO 47 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1jal s ASP 48 N 5.19 -0.51 0.37 3.54 -1.08 -1.26 -4.90 116.67 118.03 1jal s ASP 48 Ca 0.94 0.18 0.26 0.00 -0.52 0.00 0.00 52.55 53.41 1jal s ASP 48 Cb -0.54 1.56 1.32 0.00 -1.46 0.00 0.00 42.92 43.80 1jal s ASP 48 CO 0.45 -0.31 1.79 -0.65 0.52 0.00 0.00 175.17 176.97 1jal h PRO 49 N 8.09 0.00 0.00 4.34 0.11 -2.02 -1.67 132.00 140.85 1jal h PRO 49 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1jal h PRO 49 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jal h PRO 49 CO 0.24 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.03 1jal h ARG 50 N 0.00 0.00 0.76 1.05 3.08 -1.99 -2.44 114.38 114.84 1jal h ARG 50 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1jal h ARG 50 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1jal h ARG 50 CO 0.00 0.00 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.47 1jal h LEU 51 N 0.00 -0.86 -0.10 3.04 3.38 -1.72 -0.16 115.31 118.88 1jal h LEU 51 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1jal h LEU 51 Cb 0.42 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1jal h LEU 51 CO 0.00 -0.60 -0.07 0.44 0.09 0.00 0.00 178.44 178.30 1jal h ASP 52 N -1.05 -0.23 -0.21 -0.43 5.19 -1.71 0.25 116.42 118.23 1jal h ASP 52 Ca -0.10 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1jal h ASP 52 Cb 0.79 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.38 1jal h ASP 52 CO 0.17 -0.10 -0.08 0.00 -3.12 0.00 0.00 179.24 176.11 1jal h ALA 53 N 1.01 0.11 -0.10 3.45 0.00 -1.46 0.29 119.26 122.55 1jal h ALA 53 Ca 0.07 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jal h ALA 53 Cb 0.18 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jal h ALA 53 CO -0.15 -0.50 0.08 -0.07 0.00 0.00 0.00 179.25 178.61 1jal h LEU 54 N -0.04 0.00 -0.13 0.00 3.38 -0.60 -3.11 115.31 114.82 1jal h LEU 54 Ca 0.11 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 1jal h LEU 54 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jal h LEU 54 CO -0.24 0.00 -0.72 0.00 0.09 0.00 0.00 178.44 177.57 1jal h ALA 55 N 1.94 0.26 -0.02 1.53 0.00 0.31 -2.89 119.26 120.39 1jal h ALA 55 Ca 0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 1jal h ALA 55 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jal h ALA 55 CO -0.00 0.60 -0.67 1.49 0.00 0.00 0.00 179.25 180.67 1jal h GLU 56 N 0.42 0.09 0.00 0.00 4.57 -1.32 0.52 114.58 118.87 1jal h GLU 56 Ca -0.05 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1jal h GLU 56 Cb 1.36 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1jal h GLU 56 CO 0.15 0.73 0.00 0.82 -1.18 0.00 0.00 179.01 179.53 1jal h ILE 57 N 0.06 0.00 0.00 2.32 2.04 -1.50 -3.35 117.51 117.08 1jal h ILE 57 Ca -0.01 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1jal h ILE 57 Cb 1.19 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1jal h ILE 57 CO 0.09 0.00 -0.96 0.52 0.00 0.00 0.00 178.15 177.81 1jal n VAL 58 N -3.03 0.00 -3.01 1.67 0.31 -0.68 -4.79 118.33 108.81 1jal n VAL 58 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.17 1jal n VAL 58 Cb 0.19 -0.65 0.02 0.00 -0.91 0.00 0.00 33.84 32.49 1jal n VAL 58 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1jal n LYS 59 N -2.27 -2.28 -4.00 5.55 4.76 0.18 -4.64 118.16 115.46 1jal n LYS 59 Ca 0.00 1.96 -0.30 0.00 -2.87 0.00 0.00 58.31 57.10 1jal n LYS 59 Cb 0.48 -4.82 -0.05 0.00 -1.84 0.00 0.00 35.03 28.79 1jal n LYS 59 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1jal s PRO 60 N -2.57 3.12 0.33 1.97 0.04 -1.26 -4.61 135.00 132.01 1jal s PRO 60 Ca 0.28 -0.61 0.04 0.00 0.04 0.00 0.00 61.00 60.75 1jal s PRO 60 Cb -0.06 -2.85 0.65 0.00 0.04 0.00 0.00 34.50 32.28 1jal s PRO 60 CO 0.80 0.57 1.92 1.49 0.04 0.00 0.00 177.00 181.82 1jal h GLU 61 N 3.09 0.86 -3.09 4.56 4.22 -1.28 -3.45 114.58 119.48 1jal h GLU 61 Ca -0.46 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1jal h GLU 61 Cb 1.17 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1jal h GLU 61 CO 0.70 0.57 0.21 -0.98 -2.18 0.00 0.00 179.01 177.32 1jal s ARG 62 N -5.79 2.00 -0.02 1.92 1.70 0.69 -4.95 118.95 114.51 1jal s ARG 62 Ca -0.11 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 1jal s ARG 62 Cb 0.20 0.60 0.02 0.00 -0.57 0.00 0.00 34.95 35.20 1jal s ARG 62 CO 0.79 -0.92 0.01 0.96 -1.08 0.00 0.00 175.30 175.05 1jal s ILE 63 N -3.09 0.08 -0.17 4.99 -4.36 -1.26 -0.65 121.20 116.73 1jal s ILE 63 Ca 0.15 0.09 0.01 0.00 -0.26 0.00 0.00 60.65 60.64 1jal s ILE 63 Cb -0.05 -0.16 0.02 0.00 1.25 0.00 0.00 42.46 43.52 1jal s ILE 63 CO 0.10 0.10 -0.20 -0.76 0.24 0.00 0.00 174.94 174.41 1jal s LEU 64 N 0.76 2.13 0.76 0.37 1.43 0.08 -4.97 118.68 119.24 1jal s LEU 64 Ca -0.07 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1jal s LEU 64 Cb -0.10 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.69 1jal s LEU 64 CO -0.02 0.01 1.08 -2.16 0.23 0.00 0.00 176.35 175.49 1jal s PRO 65 N 1.22 2.40 0.00 1.29 0.04 -1.26 -2.17 135.00 136.52 1jal s PRO 65 Ca 0.03 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1jal s PRO 65 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jal s PRO 65 CO -0.11 -1.44 0.00 -2.37 0.04 0.00 0.00 177.00 173.11 1jal n THR 66 N -3.34 0.00 -4.28 1.26 5.66 -1.21 -4.79 114.28 107.58 1jal n THR 66 Ca 0.07 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.88 1jal n THR 66 Cb 0.55 -1.45 -0.08 0.00 -1.55 0.00 0.00 70.33 67.80 1jal n THR 66 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1jal s THR 67 N 0.37 0.02 0.13 1.09 -4.23 -1.26 -0.17 115.64 111.59 1jal s THR 67 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 1jal s THR 67 Cb 0.00 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1jal s THR 67 CO 0.00 0.00 0.46 0.00 -0.54 0.00 0.00 174.62 174.54 1jal s MET 68 N -3.51 1.12 -0.13 3.99 0.23 0.21 -4.77 119.30 116.44 1jal s MET 68 Ca 0.40 -0.61 0.02 0.00 -1.03 0.00 0.00 55.69 54.48 1jal s MET 68 Cb 0.03 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.84 1jal s MET 68 CO 0.26 -0.45 -0.20 -1.21 -2.03 0.00 0.00 175.02 171.39 1jal s GLU 69 N -3.69 2.82 0.16 3.16 2.02 -1.26 -0.43 118.70 121.47 1jal s GLU 69 Ca 0.02 -0.78 0.08 0.00 0.02 0.00 0.00 54.97 54.31 1jal s GLU 69 Cb 0.01 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 1jal s GLU 69 CO -0.12 -0.04 -0.04 -0.06 0.02 0.00 0.00 175.26 175.02 1jal s PHE 70 N 0.89 2.77 -0.07 1.61 0.08 -0.54 -0.98 117.98 121.74 1jal s PHE 70 Ca -0.06 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1jal s PHE 70 Cb -0.15 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 1jal s PHE 70 CO -0.03 0.50 -0.07 0.08 -0.10 0.00 0.00 175.22 175.61 1jal s VAL 71 N -1.64 0.80 -0.14 -0.44 1.01 -0.66 -4.30 120.40 115.03 1jal s VAL 71 Ca 0.26 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1jal s VAL 71 Cb -0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1jal s VAL 71 CO 0.17 0.30 1.26 -0.62 0.00 0.00 0.00 175.10 176.20 1jal s ASP 72 N 1.14 6.96 -0.95 3.32 2.15 -1.26 -0.32 116.67 127.70 1jal s ASP 72 Ca -0.07 1.72 -0.02 0.00 0.43 0.00 0.00 52.55 54.61 1jal s ASP 72 Cb -0.14 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.20 1jal s ASP 72 CO -0.01 -0.73 1.06 -0.38 -0.17 0.00 0.00 175.17 174.93 1jal n ILE 73 N 5.24 3.90 -2.94 4.11 -0.00 -0.59 -4.89 119.36 124.18 1jal n ILE 73 Ca 0.13 -5.44 -0.21 0.00 -0.00 0.00 0.00 62.75 57.24 1jal n ILE 73 Cb 0.45 -2.27 0.02 0.00 -0.00 0.00 0.00 39.64 37.84 1jal n ILE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jal s ALA 74 N -2.02 4.03 0.00 -1.39 0.00 -1.26 -4.75 121.76 116.36 1jal s ALA 74 Ca 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1jal s ALA 74 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1jal s ALA 74 CO -0.02 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1jal n GLY 75 N -2.06 0.90 3.52 0.00 0.00 -1.26 -4.55 105.19 101.74 1jal n GLY 75 Ca 0.05 -2.32 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1jal n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jal n LEU 76 N 0.00 1.12 0.21 0.99 4.77 -1.26 -4.52 117.00 118.31 1jal n LEU 76 Ca 0.00 -1.81 0.09 0.00 -0.03 0.00 0.00 56.01 54.26 1jal n LEU 76 Cb 0.00 -0.88 0.37 0.00 -2.33 0.00 0.00 43.42 40.58 1jal n LEU 76 CO 0.00 -2.51 0.75 0.58 -1.33 0.00 0.00 177.39 174.89 1jal h VAL 77 N 5.52 0.53 -3.38 4.08 2.07 -1.94 -3.37 116.25 119.76 1jal h VAL 77 Ca 0.18 -1.27 -0.72 0.00 0.82 0.00 0.00 66.70 65.71 1jal h VAL 77 Cb 0.79 1.89 -0.29 0.00 -1.52 0.00 0.00 31.29 32.16 1jal h VAL 77 CO 1.73 0.24 -0.43 0.00 0.02 0.00 0.00 177.57 179.12 1jal s ALA 78 N -3.49 3.34 -0.34 1.67 0.00 -1.26 -4.90 121.76 116.77 1jal s ALA 78 Ca 0.02 -2.33 0.01 0.00 0.00 0.00 0.00 51.96 49.66 1jal s ALA 78 Cb 0.09 -2.73 0.30 0.00 0.00 0.00 0.00 23.12 20.78 1jal s ALA 78 CO 0.65 -1.77 1.30 0.41 0.00 0.00 0.00 175.76 176.35 1jal n GLY 79 N 4.91 -1.50 3.70 0.00 0.00 -1.26 -5.04 105.19 106.01 1jal n GLY 79 Ca -0.09 0.88 -0.42 0.00 0.00 0.00 0.00 46.02 46.39 1jal n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jal s ALA 80 N 0.10 3.71 -0.08 4.61 0.00 -1.26 -4.68 121.76 124.18 1jal s ALA 80 Ca 0.24 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 1jal s ALA 80 Cb 0.25 -3.66 0.07 0.00 0.00 0.00 0.00 23.12 19.79 1jal s ALA 80 CO -0.14 -0.94 0.71 -1.54 0.00 0.00 0.00 175.76 173.85 1jal s SER 81 N 1.82 -0.64 -0.13 0.00 1.04 -1.26 -5.12 113.70 109.41 1jal s SER 81 Ca 0.72 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.90 1jal s SER 81 Cb -0.41 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1jal s SER 81 CO 0.32 -0.56 -0.15 -0.54 0.98 0.00 0.00 173.24 173.28 1jal s LYS 82 N -1.06 3.30 0.00 4.02 3.01 -1.26 -5.03 119.74 122.73 1jal s LYS 82 Ca -0.09 -0.73 0.00 0.00 -1.01 0.00 0.00 55.97 54.14 1jal s LYS 82 Cb -0.00 -2.58 0.00 0.00 -1.01 0.00 0.00 37.83 34.24 1jal s LYS 82 CO 0.09 0.17 0.00 0.41 0.51 0.00 0.00 175.35 176.53 1jal n GLY 83 N 3.63 -1.50 0.08 -3.33 0.00 -1.26 -5.01 105.19 97.80 1jal n GLY 83 Ca -0.18 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.81 1jal n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jal n GLU 84 N -0.16 2.26 -3.23 1.61 0.00 -1.26 -4.51 120.64 115.35 1jal n GLU 84 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 57.16 55.58 1jal n GLU 84 Cb 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 31.44 30.34 1jal n GLU 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1jal s GLY 85 N -0.83 0.35 0.05 8.31 0.00 -1.26 -4.74 107.32 109.20 1jal s GLY 85 Ca 0.03 -1.66 -0.09 0.00 0.00 0.00 0.00 44.72 43.00 1jal s GLY 85 CO 0.02 2.61 0.49 1.04 0.00 0.00 0.00 173.10 177.27 1jal n LEU 86 N 3.18 -0.30 -3.98 0.66 7.99 -1.26 0.34 117.00 123.62 1jal n LEU 86 Ca 0.23 0.56 -0.31 0.00 -0.01 0.00 0.00 56.01 56.47 1jal n LEU 86 Cb 0.49 -0.09 -0.11 0.00 -0.11 0.00 0.00 43.42 43.60 1jal n LEU 86 CO 0.06 -0.44 0.03 -0.83 -1.51 0.00 0.00 177.39 174.70 1jal s GLY 87 N -2.56 2.82 0.42 -0.72 0.00 -1.26 -4.81 107.32 101.21 1jal s GLY 87 Ca -0.03 -3.66 0.09 0.00 0.00 0.00 0.00 44.72 41.12 1jal s GLY 87 CO 0.18 1.09 0.76 -2.01 0.00 0.00 0.00 173.10 173.12 1jal n ASN 88 N 2.48 0.00 -0.03 1.64 5.15 1.03 0.36 115.26 125.88 1jal n ASN 88 Ca 0.16 0.41 -0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1jal n ASN 88 Cb 0.35 -0.08 -0.10 0.00 -0.53 0.00 0.00 39.78 39.42 1jal n ASN 88 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1jal n LYS 89 N -2.19 1.28 -0.22 1.20 4.81 -1.26 -2.94 118.16 118.84 1jal n LYS 89 Ca 0.08 -0.06 -0.07 0.00 -0.87 0.00 0.00 58.31 57.39 1jal n LYS 89 Cb 0.84 -1.30 0.04 0.00 0.02 0.00 0.00 35.03 34.62 1jal n LYS 89 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1jal h PHE 90 N 0.00 0.93 0.00 5.64 3.04 0.61 -2.89 116.94 124.28 1jal h PHE 90 Ca -0.17 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.72 1jal h PHE 90 Cb 1.19 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1jal h PHE 90 CO 0.00 0.72 -0.64 1.28 -2.02 0.00 0.00 178.31 177.65 1jal n LEU 91 N -4.46 0.63 0.05 0.59 4.77 0.32 -1.76 117.00 117.13 1jal n LEU 91 Ca 0.04 -0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.75 1jal n LEU 91 Cb 0.15 -0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 1jal n LEU 91 CO 0.39 0.15 -0.37 0.00 -1.33 0.00 0.00 177.39 176.23 1jal h ALA 92 N 2.97 0.36 0.39 -1.18 0.00 -1.60 -2.94 119.26 117.26 1jal h ALA 92 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 54.91 53.72 1jal h ALA 92 Cb 0.51 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1jal h ALA 92 CO 0.00 1.23 -0.19 -0.91 0.00 0.00 0.00 179.25 179.38 1jal h ASN 93 N 0.05 -0.44 -0.50 0.00 -0.26 -1.49 -2.50 115.58 110.44 1jal h ASN 93 Ca -0.25 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.36 1jal h ASN 93 Cb 2.00 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 39.35 1jal h ASN 93 CO 0.14 -0.01 0.31 -0.29 -1.06 0.00 0.00 177.43 176.51 1jal h ILE 94 N -0.98 1.15 0.00 2.81 2.10 -1.54 -0.12 117.51 120.94 1jal h ILE 94 Ca -0.05 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1jal h ILE 94 Cb 0.53 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1jal h ILE 94 CO 0.09 0.16 0.00 0.54 -1.08 0.00 0.00 178.15 177.86 1jal n ARG 95 N -4.42 0.02 0.07 2.19 1.74 -1.11 -0.83 116.66 114.31 1jal n ARG 95 Ca 0.05 0.41 0.11 0.00 -0.77 0.00 0.00 57.85 57.65 1jal n ARG 95 Cb 0.08 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1jal n ARG 95 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jal n GLU 96 N -1.57 0.52 -3.06 5.56 1.02 -0.06 -4.94 120.64 118.12 1jal n GLU 96 Ca 0.01 0.05 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 1jal n GLU 96 Cb 0.08 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1jal n GLU 96 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jal s THR 97 N -3.33 4.33 -0.71 2.62 -4.23 -0.01 -4.84 115.64 109.45 1jal s THR 97 Ca -0.00 -0.44 0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1jal s THR 97 Cb 0.11 -3.60 0.12 0.00 1.34 0.00 0.00 72.50 70.48 1jal s THR 97 CO 0.80 -0.42 0.95 0.47 -0.54 0.00 0.00 174.62 175.87 1jal n ASP 98 N -2.02 2.09 -3.62 3.99 9.92 -0.12 -4.97 116.55 121.83 1jal n ASP 98 Ca -0.00 -1.66 -0.13 0.00 -0.53 0.00 0.00 54.79 52.47 1jal n ASP 98 Cb 0.57 -0.07 -0.06 0.00 -0.64 0.00 0.00 41.12 40.92 1jal n ASP 98 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jal s ALA 99 N -0.80 -1.15 -0.10 2.24 0.00 -1.15 -4.25 121.76 116.55 1jal s ALA 99 Ca 0.11 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.55 1jal s ALA 99 Cb 0.07 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1jal s ALA 99 CO 0.09 -0.48 -0.22 0.42 0.00 0.00 0.00 175.76 175.57 1jal s ILE 100 N -2.47 1.96 -0.33 0.00 1.01 0.11 0.60 121.20 122.08 1jal s ILE 100 Ca -0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1jal s ILE 100 Cb -0.01 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1jal s ILE 100 CO -0.02 0.54 0.17 -0.83 0.00 0.00 0.00 174.94 174.80 1jal s GLY 101 N 0.44 1.89 -0.57 6.18 0.00 0.17 -0.89 107.32 114.54 1jal s GLY 101 Ca -0.17 -1.45 -0.17 0.00 0.00 0.00 0.00 44.72 42.92 1jal s GLY 101 CO 0.07 0.73 0.61 -1.58 0.00 0.00 0.00 173.10 172.93 1jal s HIS 102 N 1.61 3.13 -0.26 1.90 2.46 0.29 -0.44 115.29 123.99 1jal s HIS 102 Ca 0.04 -1.14 -0.29 0.00 0.47 0.00 0.00 55.06 54.15 1jal s HIS 102 Cb -0.17 -3.91 -0.01 0.00 -0.13 0.00 0.00 32.58 28.35 1jal s HIS 102 CO 0.07 -1.16 1.48 0.08 -2.47 0.00 0.00 174.74 172.73 1jal s VAL 103 N 2.13 3.89 -0.14 0.89 1.01 0.12 -0.83 120.40 127.48 1jal s VAL 103 Ca 0.08 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 1jal s VAL 103 Cb -0.27 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1jal s VAL 103 CO 0.04 -0.38 -0.13 0.54 0.00 0.00 0.00 175.10 175.18 1jal s VAL 104 N 4.84 3.04 0.25 2.92 0.11 -0.85 -4.43 120.40 126.27 1jal s VAL 104 Ca 0.65 -0.66 -0.31 0.00 -2.93 0.00 0.00 61.98 58.72 1jal s VAL 104 Cb -0.21 -2.28 -0.12 0.00 -1.53 0.00 0.00 36.38 32.24 1jal s VAL 104 CO 0.27 0.52 1.67 -0.60 -3.33 0.00 0.00 175.10 173.62 1jal s ARG 105 N 0.43 4.12 -0.32 1.54 3.52 -1.26 -2.64 118.95 124.34 1jal s ARG 105 Ca -0.10 2.60 0.09 0.00 -0.13 0.00 0.00 55.73 58.20 1jal s ARG 105 Cb -0.16 -3.05 0.46 0.00 -1.56 0.00 0.00 34.95 30.64 1jal s ARG 105 CO 0.05 -0.70 1.15 0.00 -0.81 0.00 0.00 175.30 174.98 1jal n PHE 107 N -0.61 -0.12 -3.34 0.00 1.16 -1.26 -4.55 117.46 108.74 1jal n PHE 107 Ca 0.36 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.49 1jal n PHE 107 Cb 0.87 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.74 1jal n PHE 107 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1jal s GLU 108 N -0.44 4.21 0.00 3.97 2.56 -1.26 -5.09 118.70 122.64 1jal s GLU 108 Ca 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 54.97 51.75 1jal s GLU 108 Cb 0.00 -4.56 0.00 0.00 2.00 0.00 0.00 34.13 31.57 1jal s GLU 108 CO 0.00 -1.24 0.00 -0.11 -0.56 0.00 0.00 175.26 173.35 1jal n LEU 122 N 2.72 0.17 -0.05 2.70 7.94 -1.26 -5.23 117.00 123.98 1jal n LEU 122 Ca 0.24 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.03 1jal n LEU 122 Cb 0.39 -0.43 -0.15 0.00 0.53 0.00 0.00 43.42 43.77 1jal n LEU 122 CO 0.47 -0.08 -0.82 0.47 -1.11 0.00 0.00 177.39 176.31 1jal n ASP 123 N 0.00 0.79 0.35 1.96 9.92 -1.26 -3.85 116.55 124.46 1jal n ASP 123 Ca 0.00 0.22 -0.15 0.00 -0.53 0.00 0.00 54.79 54.33 1jal n ASP 123 Cb 0.00 0.18 -0.07 0.00 -0.64 0.00 0.00 41.12 40.59 1jal n ASP 123 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1jal h ASP 124 N 0.01 -0.78 -0.61 -2.24 5.19 -2.00 -1.96 116.42 114.02 1jal h ASP 124 Ca -0.41 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.07 1jal h ASP 124 Cb 2.09 0.20 -0.07 0.00 0.18 0.00 0.00 39.33 41.73 1jal h ASP 124 CO 0.05 -0.40 -0.36 -0.38 -3.12 0.00 0.00 179.24 175.03 1jal n ILE 125 N -5.39 -0.42 0.04 0.35 5.41 -1.26 0.84 119.36 118.93 1jal n ILE 125 Ca -0.12 1.63 0.19 0.00 1.00 0.00 0.00 62.75 65.44 1jal n ILE 125 Cb 0.37 -2.02 0.69 0.00 -0.71 0.00 0.00 39.64 37.97 1jal n ILE 125 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1jal h ASP 126 N 0.00 0.00 -0.34 4.38 3.32 -1.65 0.93 116.42 123.05 1jal h ASP 126 Ca 0.10 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1jal h ASP 126 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1jal h ASP 126 CO -0.58 0.00 -0.41 0.74 -1.72 0.00 0.00 179.24 177.28 1jal h THR 127 N 0.00 1.27 0.39 0.35 2.02 0.12 -1.89 112.91 115.18 1jal h THR 127 Ca 0.22 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1jal h THR 127 Cb 0.87 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1jal h THR 127 CO -0.00 0.53 -0.19 0.40 0.37 0.00 0.00 175.52 176.63 1jal h ILE 128 N 0.73 0.00 -0.98 3.11 1.08 -0.57 -3.28 117.51 117.59 1jal h ILE 128 Ca 0.05 -0.60 0.22 0.00 -0.39 0.00 0.00 64.86 64.14 1jal h ILE 128 Cb 1.00 0.00 -0.19 0.00 -3.07 0.00 0.00 36.82 34.56 1jal h ILE 128 CO 0.10 0.00 -0.16 0.78 -0.69 0.00 0.00 178.15 178.17 1jal h ASN 129 N -1.12 -0.78 0.71 1.72 2.35 -0.93 0.28 115.58 117.80 1jal h ASN 129 Ca -0.05 0.29 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1jal h ASN 129 Cb 0.40 0.57 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1jal h ASN 129 CO 0.09 -0.33 -0.53 0.71 -1.65 0.00 0.00 177.43 175.71 1jal h THR 130 N 0.00 1.24 -0.36 2.81 1.35 -1.47 0.08 112.91 116.56 1jal h THR 130 Ca 0.51 -1.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 1jal h THR 130 Cb 0.87 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 1jal h THR 130 CO -0.99 0.52 0.20 -0.33 -0.25 0.00 0.00 175.52 174.68 1jal h GLU 131 N 0.00 0.50 -0.69 4.72 4.39 -1.02 -1.13 114.58 121.35 1jal h GLU 131 Ca -0.01 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1jal h GLU 131 Cb 1.03 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 1jal h GLU 131 CO 0.07 0.40 0.43 -0.07 -1.16 0.00 0.00 179.01 178.68 1jal h LEU 132 N 0.46 0.82 -1.36 1.33 3.38 -0.98 -2.65 115.31 116.32 1jal h LEU 132 Ca 0.13 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1jal h LEU 132 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1jal h LEU 132 CO -0.02 0.63 -0.32 0.00 0.09 0.00 0.00 178.44 178.82 1jal h ALA 133 N 1.23 1.45 -0.33 1.53 0.00 -0.74 -1.39 119.26 121.00 1jal h ALA 133 Ca 0.25 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1jal h ALA 133 Cb -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jal h ALA 133 CO -0.05 0.40 -0.42 1.25 0.00 0.00 0.00 179.25 180.43 1jal h LEU 134 N 0.00 0.94 -0.45 0.00 5.85 -0.86 0.54 115.31 121.33 1jal h LEU 134 Ca -0.00 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1jal h LEU 134 Cb 0.57 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1jal h LEU 134 CO 0.04 1.25 0.15 0.00 -0.34 0.00 0.00 178.44 179.55 1jal h ALA 135 N 0.72 0.59 -0.69 1.25 0.00 -1.35 -2.21 119.26 117.57 1jal h ALA 135 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1jal h ALA 135 Cb 1.02 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1jal h ALA 135 CO 0.10 0.22 0.42 -0.44 0.00 0.00 0.00 179.25 179.55 1jal h ASP 136 N 0.58 0.68 -0.82 0.00 3.32 -0.96 -1.47 116.42 117.75 1jal h ASP 136 Ca 0.15 0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.35 1jal h ASP 136 Cb 0.24 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.56 1jal h ASP 136 CO -0.01 0.46 0.40 0.25 -1.72 0.00 0.00 179.24 178.63 1jal h LEU 137 N 0.81 0.46 0.13 1.55 5.85 0.20 0.31 115.31 124.63 1jal h LEU 137 Ca 0.28 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1jal h LEU 137 Cb 0.06 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1jal h LEU 137 CO -0.12 0.19 -0.06 0.44 -0.34 0.00 0.00 178.44 178.54 1jal h ASP 138 N 0.57 -0.15 -0.78 1.25 3.32 -0.66 0.38 116.42 120.36 1jal h ASP 138 Ca 0.45 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.42 1jal h ASP 138 Cb 0.66 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1jal h ASP 138 CO -0.38 0.02 0.51 0.28 -1.72 0.00 0.00 179.24 177.96 1jal h SER 139 N -0.31 0.84 0.00 6.45 0.02 -1.07 -2.24 113.55 117.24 1jal h SER 139 Ca -0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1jal h SER 139 Cb 0.25 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1jal h SER 139 CO 0.03 0.59 -0.00 0.00 -1.14 0.00 0.00 176.83 176.31 1jal h GLU 141 N -0.51 0.13 -0.76 0.00 5.08 -0.84 -0.31 114.58 117.38 1jal h GLU 141 Ca -0.00 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1jal h GLU 141 Cb 0.51 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1jal h GLU 141 CO 0.00 0.08 0.40 0.00 -1.00 0.00 0.00 179.01 178.49 1jal h ARG 142 N 0.13 0.64 -0.25 2.33 3.08 -1.40 -1.12 114.38 117.80 1jal h ARG 142 Ca 0.07 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1jal h ARG 142 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1jal h ARG 142 CO -0.07 0.43 -0.25 0.00 -1.07 0.00 0.00 179.97 179.01 1jal h ALA 143 N 1.45 1.11 -0.31 0.04 0.00 -0.59 -2.93 119.26 118.03 1jal h ALA 143 Ca 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jal h ALA 143 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jal h ALA 143 CO -0.27 0.56 0.20 0.82 0.00 0.00 0.00 179.25 180.55 1jal h ILE 144 N 0.42 1.07 -0.34 0.00 2.04 0.19 -1.39 117.51 119.50 1jal h ILE 144 Ca 0.06 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1jal h ILE 144 Cb 0.67 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1jal h ILE 144 CO 0.05 0.07 -0.30 -0.61 0.00 0.00 0.00 178.15 177.37 1jal h GLN 145 N 0.41 -0.25 0.00 2.37 4.15 -1.28 0.79 115.11 121.30 1jal h GLN 145 Ca 0.11 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1jal h GLN 145 Cb -0.04 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1jal h GLN 145 CO -0.03 -0.16 -0.21 0.00 -1.93 0.00 0.00 178.83 176.50 1jal h ARG 146 N -0.26 0.00 0.10 1.69 3.08 -1.32 -2.06 114.38 115.61 1jal h ARG 146 Ca 0.16 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.89 1jal h ARG 146 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1jal h ARG 146 CO -0.49 0.21 -1.71 -0.07 -1.07 0.00 0.00 179.97 176.84 1jal h LEU 147 N 0.00 0.34 -0.15 3.04 3.38 -0.37 -2.82 115.31 118.72 1jal h LEU 147 Ca -0.00 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 57.14 1jal h LEU 147 Cb 0.40 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1jal h LEU 147 CO 0.03 1.73 -0.09 1.67 0.09 0.00 0.00 178.44 181.87 1jal n GLN 148 N -3.78 -0.07 -0.22 1.13 7.27 0.27 0.65 117.38 122.62 1jal n GLN 148 Ca -0.30 0.96 0.16 0.00 0.07 0.00 0.00 57.00 57.89 1jal n GLN 148 Cb 0.94 -1.44 0.47 0.00 2.41 0.00 0.00 30.24 32.63 1jal n GLN 148 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1jal h LYS 149 N 0.00 0.48 0.00 3.69 3.64 -1.46 -1.20 116.57 121.72 1jal h LYS 149 Ca 0.02 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1jal h LYS 149 Cb 0.06 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1jal h LYS 149 CO -0.14 0.32 -1.06 -0.09 -2.27 0.00 0.00 179.45 176.20 1jal h ARG 150 N 0.49 0.00 0.00 1.90 2.43 -0.95 -3.30 114.38 114.95 1jal h ARG 150 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1jal h ARG 150 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1jal h ARG 150 CO -0.16 0.55 -0.52 0.00 -1.51 0.00 0.00 179.97 178.33 1jal n ALA 151 N -2.35 3.11 0.17 2.80 0.00 0.21 -2.41 120.51 122.04 1jal n ALA 151 Ca -0.05 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.17 1jal n ALA 151 Cb 0.86 -1.18 0.22 0.00 0.00 0.00 0.00 19.45 19.35 1jal n ALA 151 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jal h LYS 152 N 0.00 0.00 -1.20 0.00 3.11 -1.32 -3.30 116.57 113.87 1jal h LYS 152 Ca 0.00 0.00 -0.66 0.00 -2.81 0.00 0.00 60.65 57.18 1jal h LYS 152 Cb 0.63 0.00 -0.33 0.00 -1.00 0.00 0.00 32.23 31.53 1jal h LYS 152 CO 0.00 0.40 0.43 0.41 -2.81 0.00 0.00 179.45 177.88 1jal n GLY 153 N 0.69 5.93 2.74 5.01 0.00 -1.24 -4.92 105.19 113.40 1jal n GLY 153 Ca 0.01 -2.46 -0.19 0.00 0.00 0.00 0.00 46.02 43.38 1jal n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jal n GLY 154 N -0.76 -0.33 3.75 -0.02 0.00 -1.24 -5.02 105.19 101.57 1jal n GLY 154 Ca 0.55 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 1jal n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jal s ASP 155 N -2.68 7.34 -0.20 1.61 2.15 -1.01 -5.01 116.67 118.87 1jal s ASP 155 Ca 0.22 1.60 -0.16 0.00 0.43 0.00 0.00 52.55 54.64 1jal s ASP 155 Cb -0.10 -2.50 -0.11 0.00 -0.30 0.00 0.00 42.92 39.91 1jal s ASP 155 CO 0.27 0.08 -0.09 1.17 -0.17 0.00 0.00 175.17 176.43 1jal n LYS 156 N 2.30 0.53 0.27 4.34 3.00 -1.26 -4.02 118.16 123.31 1jal n LYS 156 Ca -0.03 0.45 0.11 0.00 -0.00 0.00 0.00 58.31 58.84 1jal n LYS 156 Cb 0.49 -1.64 0.72 0.00 0.00 0.00 0.00 35.03 34.61 1jal n LYS 156 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1jal h GLU 157 N -1.00 0.00 -0.06 1.64 -0.00 -1.98 1.52 114.58 114.71 1jal h GLU 157 Ca -0.26 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.01 1jal h GLU 157 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.82 1jal h GLU 157 CO -0.16 0.07 -0.37 0.00 -0.00 0.00 0.00 179.01 178.55 1jal h ALA 158 N 1.93 1.27 -0.49 1.06 0.00 -1.94 -3.14 119.26 117.95 1jal h ALA 158 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1jal h ALA 158 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jal h ALA 158 CO 0.01 0.52 0.09 -0.22 0.00 0.00 0.00 179.25 179.65 1jal h LYS 159 N 0.11 0.81 0.49 0.00 3.64 0.20 0.34 116.57 122.16 1jal h LYS 159 Ca 0.01 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1jal h LYS 159 Cb 0.71 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1jal h LYS 159 CO 0.05 0.80 -0.46 0.35 -2.27 0.00 0.00 179.45 177.93 1jal h PHE 160 N 0.69 -1.27 -0.76 1.91 3.57 -1.60 -2.23 116.94 117.26 1jal h PHE 160 Ca 0.15 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1jal h PHE 160 Cb 0.38 0.49 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 1jal h PHE 160 CO 0.03 -0.62 0.41 1.49 -2.23 0.00 0.00 178.31 177.38 1jal h GLU 161 N -0.94 0.67 0.29 1.11 4.81 -1.32 0.11 114.58 119.31 1jal h GLU 161 Ca -0.06 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1jal h GLU 161 Cb 0.81 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1jal h GLU 161 CO -0.04 0.45 -0.47 1.25 -0.73 0.00 0.00 179.01 179.47 1jal h LEU 162 N 0.69 -1.36 -0.90 1.64 6.46 -0.42 -0.90 115.31 120.52 1jal h LEU 162 Ca 0.36 0.13 0.19 0.00 -0.12 0.00 0.00 57.88 58.44 1jal h LEU 162 Cb 0.35 0.48 -0.17 0.00 -0.73 0.00 0.00 40.66 40.58 1jal h LEU 162 CO -0.25 -0.56 -0.20 0.77 -0.62 0.00 0.00 178.44 177.59 1jal h SER 163 N -0.80 -0.79 -0.71 1.25 4.64 -0.21 0.32 113.55 117.25 1jal h SER 163 Ca -0.03 0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1jal h SER 163 Cb 0.74 0.54 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1jal h SER 163 CO -0.16 -0.30 0.31 0.58 -0.87 0.00 0.00 176.83 176.40 1jal h VAL 164 N 0.01 1.24 0.00 0.95 2.07 -0.69 -1.26 116.25 118.57 1jal h VAL 164 Ca 0.44 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1jal h VAL 164 Cb 0.70 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1jal h VAL 164 CO -0.91 0.30 -0.29 0.24 0.02 0.00 0.00 177.57 176.92 1jal h MET 165 N 1.04 0.00 -0.20 1.57 2.07 0.62 -2.93 114.93 117.10 1jal h MET 165 Ca 0.25 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.84 1jal h MET 165 Cb 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 1jal h MET 165 CO -0.03 0.29 -0.03 0.93 1.07 0.00 0.00 176.91 179.15 1jal h GLU 166 N 0.00 0.38 -0.72 1.72 4.39 0.69 -2.46 114.58 118.57 1jal h GLU 166 Ca -0.00 -0.13 0.11 0.00 0.34 0.00 0.00 59.36 59.67 1jal h GLU 166 Cb 0.58 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 1jal h GLU 166 CO 0.04 0.61 0.33 0.87 -1.16 0.00 0.00 179.01 179.70 1jal h LYS 167 N 0.12 0.53 0.00 2.33 1.57 -1.32 -3.32 116.57 116.48 1jal h LYS 167 Ca 0.05 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.54 1jal h LYS 167 Cb 0.45 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1jal h LYS 167 CO 0.02 0.35 -1.47 -0.84 -0.57 0.00 0.00 179.45 176.94 1jal h ILE 168 N 0.54 1.15 0.00 1.86 3.07 -1.50 -3.39 117.51 119.24 1jal h ILE 168 Ca 0.37 -2.95 0.00 0.00 1.55 0.00 0.00 64.86 63.83 1jal h ILE 168 Cb 0.46 2.57 0.00 0.00 -0.27 0.00 0.00 36.82 39.58 1jal h ILE 168 CO -0.31 0.66 0.00 -0.11 -1.05 0.00 0.00 178.15 177.33 1jal n LEU 169 N -3.16 0.00 0.19 0.16 7.94 -0.93 -0.42 117.00 120.79 1jal n LEU 169 Ca -0.11 0.40 0.14 0.00 -1.11 0.00 0.00 56.01 55.32 1jal n LEU 169 Cb 1.01 -0.18 0.43 0.00 0.53 0.00 0.00 43.42 45.21 1jal n LEU 169 CO 0.46 -0.18 0.89 1.55 -1.11 0.00 0.00 177.39 178.99 1jal h PRO 170 N 0.00 0.00 0.24 1.96 0.13 -1.79 0.44 132.00 132.98 1jal h PRO 170 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1jal h PRO 170 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1jal h PRO 170 CO 0.00 0.00 -0.11 0.28 -0.23 0.00 0.00 178.00 177.94 1jal h VAL 171 N 0.00 0.83 -0.28 1.56 2.07 -0.94 -1.70 116.25 117.78 1jal h VAL 171 Ca 0.00 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1jal h VAL 171 Cb 0.69 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1jal h VAL 171 CO 0.00 0.11 -0.02 -0.07 0.02 0.00 0.00 177.57 177.61 1jal h LEU 172 N -0.58 -0.14 -1.56 2.57 3.38 0.41 0.14 115.31 119.54 1jal h LEU 172 Ca -0.03 0.07 0.24 0.00 0.09 0.00 0.00 57.88 58.25 1jal h LEU 172 Cb 0.42 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1jal h LEU 172 CO 0.05 -0.04 0.65 -0.33 0.09 0.00 0.00 178.44 178.86 1jal h GLU 173 N 0.06 0.31 -0.75 1.13 5.08 -0.17 0.66 114.58 120.90 1jal h GLU 173 Ca 0.13 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1jal h GLU 173 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1jal h GLU 173 CO -0.24 0.20 0.04 0.09 -1.00 0.00 0.00 179.01 178.11 1jal n ASN 174 N -4.49 4.14 -1.08 1.42 4.13 -0.54 -4.86 115.26 113.97 1jal n ASN 174 Ca 0.22 -2.67 -0.14 0.00 1.68 0.00 0.00 54.58 53.67 1jal n ASN 174 Cb 0.84 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 38.38 1jal n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jal n ALA 175 N 0.33 -0.21 -1.94 5.41 0.00 0.23 -5.00 120.51 119.33 1jal n ALA 175 Ca 0.21 0.23 -0.26 0.00 0.00 0.00 0.00 53.44 53.62 1jal n ALA 175 Cb 0.93 -1.55 0.09 0.00 0.00 0.00 0.00 19.45 18.91 1jal n ALA 175 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jal s GLY 176 N -2.85 1.71 -0.17 0.00 0.00 0.39 -4.65 107.32 101.75 1jal s GLY 176 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.60 1jal s GLY 176 CO 0.00 -0.58 0.11 1.06 0.00 0.00 0.00 173.10 173.69 1jal s MET 177 N -5.30 3.91 0.43 2.90 -1.94 -1.26 -4.33 119.30 113.70 1jal s MET 177 Ca 0.62 -0.24 0.10 0.00 -1.71 0.00 0.00 55.69 54.45 1jal s MET 177 Cb -0.09 -3.28 0.95 0.00 2.01 0.00 0.00 34.83 34.41 1jal s MET 177 CO 0.46 0.42 2.06 0.82 -0.01 0.00 0.00 175.02 178.76 1jal h ILE 178 N 4.55 1.05 0.00 2.53 2.04 -1.95 -1.15 117.51 124.58 1jal h ILE 178 Ca -0.43 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1jal h ILE 178 Cb 1.17 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1jal h ILE 178 CO 0.69 0.08 0.11 -2.11 0.00 0.00 0.00 178.15 176.92 1jal n ARG 179 N -4.48 0.06 0.00 2.37 1.85 -0.44 -1.24 116.66 114.78 1jal n ARG 179 Ca 0.03 0.51 0.05 0.00 -1.00 0.00 0.00 57.85 57.45 1jal n ARG 179 Cb 0.12 -1.81 0.03 0.00 -1.05 0.00 0.00 32.46 29.76 1jal n ARG 179 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1jal n SER 180 N -1.80 1.73 -4.69 2.89 3.41 -0.44 -4.77 113.62 109.95 1jal n SER 180 Ca -0.01 -1.37 -0.41 0.00 -0.26 0.00 0.00 58.87 56.82 1jal n SER 180 Cb 0.12 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1jal n SER 180 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jal s VAL 181 N -0.93 4.89 -0.80 -3.33 1.01 -0.38 -4.95 120.40 115.91 1jal s VAL 181 Ca 0.11 1.76 -0.05 0.00 0.00 0.00 0.00 61.98 63.80 1jal s VAL 181 Cb 0.08 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 1jal s VAL 181 CO 0.15 0.09 2.08 0.61 0.00 0.00 0.00 175.10 178.03 1jal n GLY 182 N 3.21 2.97 3.77 4.51 0.00 -1.26 -4.90 105.19 113.49 1jal n GLY 182 Ca 0.05 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1jal n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jal s LEU 183 N 0.08 4.42 0.36 0.99 1.02 -1.26 -5.05 118.68 119.24 1jal s LEU 183 Ca 0.38 2.69 0.07 0.00 0.02 0.00 0.00 54.13 57.29 1jal s LEU 183 Cb 0.11 -3.66 -0.00 0.00 0.02 0.00 0.00 46.19 42.65 1jal s LEU 183 CO -0.03 -0.55 0.50 1.51 0.02 0.00 0.00 176.35 177.81 1jal s ASP 184 N -0.49 5.86 0.10 2.29 1.47 -1.26 -4.79 116.67 119.85 1jal s ASP 184 Ca 0.49 -0.27 -0.34 0.00 1.18 0.00 0.00 52.55 53.62 1jal s ASP 184 Cb -0.40 -1.04 -0.14 0.00 -0.34 0.00 0.00 42.92 41.00 1jal s ASP 184 CO 0.53 -0.54 1.58 0.50 0.68 0.00 0.00 175.17 177.91 1jal h LYS 185 N 0.81 -0.81 -1.00 2.11 3.11 -1.98 0.81 116.57 119.62 1jal h LYS 185 Ca -0.44 0.06 0.29 0.00 -2.81 0.00 0.00 60.65 57.75 1jal h LYS 185 Cb 1.26 0.18 -0.04 0.00 -1.00 0.00 0.00 32.23 32.64 1jal h LYS 185 CO 0.50 -0.54 1.14 1.05 -2.81 0.00 0.00 179.45 178.79 1jal h GLU 186 N -0.84 0.00 0.01 1.90 9.09 -1.98 0.49 114.58 123.25 1jal h GLU 186 Ca -0.03 0.00 -0.40 0.00 0.05 0.00 0.00 59.36 58.99 1jal h GLU 186 Cb 0.78 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.82 1jal h GLU 186 CO -0.15 0.00 -2.42 0.39 0.05 0.00 0.00 179.01 176.88 1jal n GLU 187 N -3.33 0.65 0.08 1.06 1.02 0.24 -2.74 120.64 117.63 1jal n GLU 187 Ca 0.22 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 1jal n GLU 187 Cb 1.45 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 31.25 1jal n GLU 187 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1jal h LEU 188 N -0.14 -0.13 -0.77 -4.62 3.38 0.78 -2.03 115.31 111.79 1jal h LEU 188 Ca -0.58 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.42 1jal h LEU 188 Cb 1.87 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 42.53 1jal h LEU 188 CO -0.12 0.02 -0.29 1.67 0.09 0.00 0.00 178.44 179.81 1jal n GLN 189 N -5.10 -0.17 0.00 1.13 0.00 0.16 -1.23 117.38 112.17 1jal n GLN 189 Ca -0.08 1.18 0.13 0.00 -0.00 0.00 0.00 57.00 58.22 1jal n GLN 189 Cb 0.13 -1.75 0.64 0.00 0.00 0.00 0.00 30.24 29.26 1jal n GLN 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jal n ALA 190 N -3.61 2.28 0.11 1.69 0.00 -0.79 -2.46 120.51 117.74 1jal n ALA 190 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1jal n ALA 190 Cb 0.31 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.37 1jal n ALA 190 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1jal n ILE 191 N -1.29 0.22 -0.23 0.00 -5.35 -0.36 -4.67 119.36 107.68 1jal n ILE 191 Ca 0.12 -0.61 0.16 0.00 -0.27 0.00 0.00 62.75 62.15 1jal n ILE 191 Cb 0.20 0.95 0.46 0.00 -1.74 0.00 0.00 39.64 39.52 1jal n ILE 191 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1jal h LYS 192 N 0.72 0.49 -0.97 6.28 3.64 -0.93 -1.45 116.57 124.36 1jal h LYS 192 Ca 0.00 -0.03 0.26 0.00 -1.27 0.00 0.00 60.65 59.61 1jal h LYS 192 Cb 0.25 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1jal h LYS 192 CO 0.00 0.33 0.67 1.03 -2.27 0.00 0.00 179.45 179.21 1jal h SER 193 N 0.51 0.18 0.14 4.20 0.87 -1.83 -2.60 113.55 115.02 1jal h SER 193 Ca 0.44 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1jal h SER 193 Cb 0.93 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1jal h SER 193 CO -0.18 0.06 -0.22 -1.22 -0.53 0.00 0.00 176.83 174.74 1jal n TYR 194 N -4.38 0.00 -3.85 2.24 4.01 -0.54 -4.95 117.16 109.68 1jal n TYR 194 Ca 0.21 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.68 1jal n TYR 194 Cb 0.93 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.91 1jal n TYR 194 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1jal n ASN 195 N -0.30 -3.69 -4.69 7.72 5.15 -0.98 -4.86 115.26 113.61 1jal n ASN 195 Ca 0.13 -0.79 -0.43 0.00 -0.60 0.00 0.00 54.58 52.89 1jal n ASN 195 Cb 0.38 -3.94 -0.03 0.00 -0.53 0.00 0.00 39.78 35.66 1jal n ASN 195 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jal n PHE 196 N -4.57 2.56 0.01 1.20 3.72 -1.26 -4.89 117.46 114.23 1jal n PHE 196 Ca -0.06 -0.06 0.03 0.00 -0.05 0.00 0.00 57.45 57.31 1jal n PHE 196 Cb 0.57 -2.69 0.41 0.00 -0.94 0.00 0.00 39.48 36.83 1jal n PHE 196 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1jal h LEU 197 N 8.10 0.45 -0.94 4.37 3.38 -1.89 -2.95 115.31 125.83 1jal h LEU 197 Ca -0.46 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1jal h LEU 197 Cb 1.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jal h LEU 197 CO 0.94 0.37 0.00 0.35 0.09 0.00 0.00 178.44 180.19 1jal n THR 198 N -4.43 0.03 0.83 0.22 -2.24 -1.26 -2.74 114.28 104.69 1jal n THR 198 Ca 0.02 -0.25 0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1jal n THR 198 Cb 0.10 0.43 0.08 0.00 -2.10 0.00 0.00 70.33 68.85 1jal n THR 198 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jal n LEU 199 N 0.14 0.66 -4.67 3.22 4.77 -1.12 -1.32 117.00 118.68 1jal n LEU 199 Ca 0.19 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1jal n LEU 199 Cb 0.34 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1jal n LEU 199 CO 0.16 0.12 1.22 -0.54 -1.33 0.00 0.00 177.39 177.02 1jal s LYS 200 N -3.08 4.23 0.26 3.23 1.02 -1.11 -4.86 119.74 119.45 1jal s LYS 200 Ca 0.08 2.02 -0.27 0.00 0.02 0.00 0.00 55.97 57.82 1jal s LYS 200 Cb 0.16 -3.75 -0.16 0.00 -0.52 0.00 0.00 37.83 33.56 1jal s LYS 200 CO 0.77 -0.71 0.58 -2.30 -0.92 0.00 0.00 175.35 172.78 1jal n PRO 201 N 6.21 0.36 -3.84 -1.68 -0.02 -1.26 -4.54 135.00 130.23 1jal n PRO 201 Ca 0.15 0.13 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 1jal n PRO 201 Cb 0.43 -1.24 -0.14 0.00 -0.02 0.00 0.00 33.50 32.53 1jal n PRO 201 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jal s THR 202 N -1.13 -0.01 0.07 3.45 2.01 -1.26 0.04 115.64 118.80 1jal s THR 202 Ca 0.62 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.73 1jal s THR 202 Cb -0.81 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1jal s THR 202 CO 0.58 0.02 -0.17 0.00 -0.69 0.00 0.00 174.62 174.36 1jal s MET 203 N 0.27 0.99 -0.21 4.92 0.23 -0.07 -4.35 119.30 121.08 1jal s MET 203 Ca -0.02 -0.95 -0.12 0.00 -1.03 0.00 0.00 55.69 53.57 1jal s MET 203 Cb -0.03 -1.07 -0.05 0.00 -1.53 0.00 0.00 34.83 32.15 1jal s MET 203 CO -0.01 0.25 0.21 0.71 -2.03 0.00 0.00 175.02 174.15 1jal s TYR 204 N -1.08 3.38 -0.44 3.16 2.02 -0.75 -0.55 117.35 123.10 1jal s TYR 204 Ca 0.02 0.38 -0.22 0.00 -0.37 0.00 0.00 57.07 56.88 1jal s TYR 204 Cb -0.09 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.21 1jal s TYR 204 CO 0.02 0.16 0.73 0.42 -1.57 0.00 0.00 175.55 175.31 1jal s ILE 205 N 0.75 4.72 -0.51 2.71 1.01 -0.01 0.03 121.20 129.91 1jal s ILE 205 Ca 0.11 0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.93 1jal s ILE 205 Cb -0.13 -4.26 0.07 0.00 0.01 0.00 0.00 42.46 38.15 1jal s ILE 205 CO 0.03 -0.64 0.57 0.00 0.00 0.00 0.00 174.94 174.90 1jal s ALA 206 N 3.09 3.44 -0.58 9.38 0.00 0.12 -2.01 121.76 135.20 1jal s ALA 206 Ca 0.27 -1.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.07 1jal s ALA 206 Cb -0.13 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1jal s ALA 206 CO 0.21 -1.97 1.95 1.21 0.00 0.00 0.00 175.76 177.16 1jal s ASN 207 N 2.78 5.16 0.39 0.00 3.84 -1.08 -1.18 114.94 124.84 1jal s ASN 207 Ca 0.12 0.51 0.08 0.00 0.21 0.00 0.00 52.86 53.78 1jal s ASN 207 Cb -0.21 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 37.95 1jal s ASN 207 CO 0.10 -2.43 0.38 0.68 -2.79 0.00 0.00 177.10 173.04 1jal s VAL 208 N 9.50 2.98 0.62 -5.21 -7.23 -0.92 -0.23 120.40 119.90 1jal s VAL 208 Ca 0.73 -1.30 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1jal s VAL 208 Cb -0.14 -3.06 0.05 0.00 0.56 0.00 0.00 36.38 33.79 1jal s VAL 208 CO 0.22 -0.05 0.88 0.20 -0.31 0.00 0.00 175.10 176.04 1jal s ASN 209 N -4.12 5.05 0.54 4.85 0.01 -1.26 -3.98 114.94 116.03 1jal s ASN 209 Ca 0.47 0.14 0.38 0.00 -0.71 0.00 0.00 52.86 53.14 1jal s ASN 209 Cb -0.05 -0.90 1.57 0.00 0.41 0.00 0.00 41.25 42.28 1jal s ASN 209 CO 0.28 -1.36 1.76 -0.33 -1.51 0.00 0.00 177.10 175.94 1jal h GLU 210 N -0.21 0.02 -0.03 -0.60 5.08 -1.99 0.80 114.58 117.64 1jal h GLU 210 Ca -0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1jal h GLU 210 Cb 1.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1jal h GLU 210 CO 0.54 0.01 0.00 -0.40 -1.00 0.00 0.00 179.01 178.16 1jal n ASP 211 N -4.16 2.83 -2.37 1.42 5.68 -1.26 -4.84 116.55 113.85 1jal n ASP 211 Ca 0.29 -1.91 -0.35 0.00 -0.50 0.00 0.00 54.79 52.32 1jal n ASP 211 Cb 1.38 -0.01 0.07 0.00 -1.14 0.00 0.00 41.12 41.43 1jal n ASP 211 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jal n GLY 212 N 1.23 5.88 0.55 6.12 0.00 0.28 -4.27 105.19 114.97 1jal n GLY 212 Ca 0.13 -2.35 0.10 0.00 0.00 0.00 0.00 46.02 43.90 1jal n GLY 212 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jal n PHE 213 N -0.87 0.00 0.00 1.61 3.01 -1.26 -4.49 117.46 115.45 1jal n PHE 213 Ca 0.61 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.07 1jal n PHE 213 Cb 0.64 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 1jal n PHE 213 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1jal n GLU 214 N 0.19 0.00 -0.21 -1.08 0.00 -1.26 -4.85 120.64 113.44 1jal n GLU 214 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.45 1jal n GLU 214 Cb 0.46 -0.06 0.35 0.00 0.00 0.00 0.00 31.44 32.19 1jal n GLU 214 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1jal n ASN 215 N -2.47 0.18 -4.67 -1.84 5.15 -1.26 -4.77 115.26 105.58 1jal n ASN 215 Ca 0.00 0.92 -0.42 0.00 -0.60 0.00 0.00 54.58 54.48 1jal n ASN 215 Cb 0.03 -0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 1jal n ASN 215 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1jal s ASN 216 N -4.64 7.05 0.04 1.20 3.84 -1.26 -4.95 114.94 116.22 1jal s ASN 216 Ca -0.05 1.30 -0.18 0.00 0.21 0.00 0.00 52.86 54.14 1jal s ASN 216 Cb 0.19 -2.50 -0.16 0.00 -0.55 0.00 0.00 41.25 38.23 1jal s ASN 216 CO 0.46 -0.52 1.27 1.55 -2.79 0.00 0.00 177.10 177.06 1jal h PRO 217 N 7.37 0.50 0.03 0.43 0.13 -1.93 -2.65 132.00 135.87 1jal h PRO 217 Ca -0.25 -0.36 0.02 0.00 -0.87 0.00 0.00 66.00 64.54 1jal h PRO 217 Cb 1.10 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1jal h PRO 217 CO 0.89 0.98 -0.46 1.88 -0.23 0.00 0.00 178.00 181.06 1jal h TYR 218 N 0.10 -1.36 -0.96 1.56 -1.99 -1.92 -2.13 116.97 110.27 1jal h TYR 218 Ca -0.01 0.04 0.23 0.00 2.00 0.00 0.00 58.73 60.99 1jal h TYR 218 Cb 1.01 0.59 -0.12 0.00 2.00 0.00 0.00 36.73 40.20 1jal h TYR 218 CO 0.11 -0.50 0.53 1.25 -0.00 0.00 0.00 178.16 179.54 1jal h LEU 219 N -0.60 0.57 -1.14 3.88 5.85 -1.83 0.22 115.31 122.26 1jal h LEU 219 Ca 0.01 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1jal h LEU 219 Cb 0.63 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1jal h LEU 219 CO -0.29 0.08 0.59 0.44 -0.34 0.00 0.00 178.44 178.92 1jal h ASP 220 N 0.53 0.93 1.47 1.25 3.32 -1.03 -2.68 116.42 120.21 1jal h ASP 220 Ca 0.61 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.57 1jal h ASP 220 Cb 1.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1jal h ASP 220 CO -0.48 0.61 -0.41 -0.09 -1.72 0.00 0.00 179.24 177.15 1jal h ARG 221 N 1.07 0.00 0.06 3.56 2.43 0.05 -2.54 114.38 119.01 1jal h ARG 221 Ca 0.38 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.36 1jal h ARG 221 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1jal h ARG 221 CO -0.13 0.41 -0.98 0.28 -1.51 0.00 0.00 179.97 178.04 1jal h VAL 222 N 0.00 1.23 -0.22 0.20 2.07 -1.13 -1.00 116.25 117.40 1jal h VAL 222 Ca -0.00 -2.35 0.06 0.00 0.82 0.00 0.00 66.70 65.23 1jal h VAL 222 Cb 1.26 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1jal h VAL 222 CO 0.05 0.58 0.20 0.03 0.02 0.00 0.00 177.57 178.46 1jal h ARG 223 N -0.65 0.00 0.98 1.57 3.08 -1.64 0.85 114.38 118.58 1jal h ARG 223 Ca -0.23 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 1jal h ARG 223 Cb 1.46 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.51 1jal h ARG 223 CO -0.01 0.00 -0.47 1.49 -1.07 0.00 0.00 179.97 179.91 1jal h GLU 224 N 0.00 -1.27 0.00 0.04 4.81 -1.35 -0.61 114.58 116.20 1jal h GLU 224 Ca 0.10 0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1jal h GLU 224 Cb 0.51 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1jal h GLU 224 CO -0.00 -0.85 0.00 -0.89 -0.73 0.00 0.00 179.01 176.54 1jal n ILE 225 N -5.63 0.00 0.00 2.32 5.41 -0.39 -3.23 119.36 117.84 1jal n ILE 225 Ca -0.16 1.36 0.00 0.00 1.00 0.00 0.00 62.75 64.95 1jal n ILE 225 Cb 0.52 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 1jal n ILE 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jal n ALA 226 N -1.60 0.00 0.48 -1.39 0.00 0.29 -1.27 120.51 117.02 1jal n ALA 226 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1jal n ALA 226 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 1jal n ALA 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jal n ALA 227 N -0.51 1.69 -0.01 0.00 0.00 -0.24 0.17 120.51 121.62 1jal n ALA 227 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1jal n ALA 227 Cb 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.04 1jal n ALA 227 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jal n LYS 228 N -1.80 0.45 0.18 0.00 4.81 -0.39 -3.71 118.16 117.70 1jal n LYS 228 Ca 0.03 -0.12 0.15 0.00 -0.87 0.00 0.00 58.31 57.51 1jal n LYS 228 Cb 0.20 -1.31 0.76 0.00 0.02 0.00 0.00 35.03 34.70 1jal n LYS 228 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jal h GLU 229 N 0.00 0.00 0.00 1.64 4.57 0.45 -3.46 114.58 117.78 1jal h GLU 229 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1jal h GLU 229 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1jal h GLU 229 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 1jal n GLY 230 N -1.48 0.58 3.92 1.92 0.00 0.44 -5.01 105.19 105.56 1jal n GLY 230 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1jal n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jal s ALA 231 N -2.28 3.63 0.58 4.61 0.00 -0.08 -4.94 121.76 123.28 1jal s ALA 231 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 1jal s ALA 231 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1jal s ALA 231 CO 0.00 0.11 1.02 0.08 0.00 0.00 0.00 175.76 176.97 1jal s VAL 232 N -2.21 4.35 -0.06 0.00 1.01 -1.26 -4.50 120.40 117.73 1jal s VAL 232 Ca 0.43 0.99 -0.03 0.00 0.00 0.00 0.00 61.98 63.38 1jal s VAL 232 Cb -0.10 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1jal s VAL 232 CO 0.33 -0.78 0.13 -0.69 0.00 0.00 0.00 175.10 174.10 1jal s VAL 233 N -2.77 -0.12 -0.51 2.92 1.01 -1.26 -1.81 120.40 117.87 1jal s VAL 233 Ca 0.59 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 1jal s VAL 233 Cb -0.12 -0.23 0.13 0.00 0.00 0.00 0.00 36.38 36.16 1jal s VAL 233 CO 0.41 0.11 0.32 -0.69 0.00 0.00 0.00 175.10 175.24 1jal s VAL 234 N 1.59 3.50 -0.28 2.92 1.01 0.10 -4.94 120.40 124.32 1jal s VAL 234 Ca -0.04 -2.46 -0.38 0.00 0.00 0.00 0.00 61.98 59.10 1jal s VAL 234 Cb -0.12 -3.35 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 1jal s VAL 234 CO -0.05 -0.78 1.92 -0.81 0.00 0.00 0.00 175.10 175.37 1jal n PRO 235 N 4.10 1.25 -3.84 2.72 -0.04 -1.26 0.14 135.00 138.07 1jal n PRO 235 Ca 0.02 0.43 -0.11 0.00 -0.04 0.00 0.00 63.50 63.80 1jal n PRO 235 Cb 0.40 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.50 1jal n PRO 235 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jal s VAL 236 N 4.86 0.10 -0.32 0.52 -7.23 -0.33 -4.92 120.40 113.08 1jal s VAL 236 Ca 1.02 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 60.29 1jal s VAL 236 Cb -0.96 -0.84 0.03 0.00 0.56 0.00 0.00 36.38 35.17 1jal s VAL 236 CO 0.59 -0.46 0.09 0.00 -0.31 0.00 0.00 175.10 175.01 1jal h ALA 238 N 8.21 -0.74 0.04 0.00 0.00 -1.92 -1.52 119.26 123.32 1jal h ALA 238 Ca -0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jal h ALA 238 Cb 1.10 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1jal h ALA 238 CO 0.60 -0.90 -0.02 0.00 0.00 0.00 0.00 179.25 178.93 1jal h ALA 239 N -0.57 -0.05 -0.20 0.00 0.00 -1.95 -1.53 119.26 114.96 1jal h ALA 239 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1jal h ALA 239 Cb 0.48 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1jal h ALA 239 CO -0.34 -0.50 -0.54 0.82 0.00 0.00 0.00 179.25 178.69 1jal h ILE 240 N -0.12 0.01 -0.77 0.00 2.04 -1.94 -1.36 117.51 115.37 1jal h ILE 240 Ca -0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 1jal h ILE 240 Cb 0.11 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1jal h ILE 240 CO 0.01 0.00 0.69 -0.33 0.00 0.00 0.00 178.15 178.52 1jal h GLU 241 N -0.54 0.00 -0.00 2.37 4.39 -0.29 0.76 114.58 121.27 1jal h GLU 241 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1jal h GLU 241 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1jal h GLU 241 CO -0.47 0.00 -0.63 0.45 -1.16 0.00 0.00 179.01 177.19 1jal n SER 242 N -3.85 0.86 -0.09 1.42 2.88 -0.57 -2.61 113.62 111.66 1jal n SER 242 Ca 0.16 -0.68 -0.13 0.00 -1.33 0.00 0.00 58.87 56.89 1jal n SER 242 Cb 0.96 0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 64.87 1jal n SER 242 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1jal n GLU 243 N -1.27 0.50 -0.16 -1.46 4.07 0.26 -3.73 120.64 118.85 1jal n GLU 243 Ca 0.06 0.53 0.15 0.00 -0.06 0.00 0.00 57.16 57.84 1jal n GLU 243 Cb 0.35 -1.70 0.28 0.00 -0.06 0.00 0.00 31.44 30.31 1jal n GLU 243 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1jal n ILE 244 N -4.52 -0.19 -0.03 6.31 5.41 -0.80 -1.01 119.36 124.53 1jal n ILE 244 Ca -0.19 0.94 -0.11 0.00 1.00 0.00 0.00 62.75 64.38 1jal n ILE 244 Cb 0.46 -1.52 -0.05 0.00 -0.71 0.00 0.00 39.64 37.82 1jal n ILE 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jal h ALA 245 N 0.91 0.18 -1.80 -1.39 0.00 -1.58 -3.31 119.26 112.26 1jal h ALA 245 Ca 0.40 -0.06 -0.80 0.00 0.00 0.00 0.00 54.91 54.45 1jal h ALA 245 Cb 1.08 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.52 1jal h ALA 245 CO -0.34 -0.28 0.75 0.39 0.00 0.00 0.00 179.25 179.77 1jal n GLU 246 N -4.93 4.57 -3.72 0.00 1.02 -0.18 -4.93 120.64 112.47 1jal n GLU 246 Ca -0.05 -4.59 -0.12 0.00 -0.02 0.00 0.00 57.16 52.38 1jal n GLU 246 Cb 0.08 -2.49 -0.12 0.00 -0.02 0.00 0.00 31.44 28.89 1jal n GLU 246 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jal s LEU 247 N -3.12 0.33 0.60 -4.62 1.43 -1.25 -5.04 118.68 107.02 1jal s LEU 247 Ca 0.33 0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 53.86 1jal s LEU 247 Cb 0.09 0.89 -0.03 0.00 0.03 0.00 0.00 46.19 47.17 1jal s LEU 247 CO 0.05 -0.17 1.25 -1.81 0.23 0.00 0.00 176.35 175.90 1jal s ASP 248 N 1.21 5.03 0.00 2.29 1.01 -1.26 -4.59 116.67 120.36 1jal s ASP 248 Ca -0.09 2.50 0.07 0.00 0.71 0.00 0.00 52.55 55.74 1jal s ASP 248 Cb -0.09 -2.61 0.39 0.00 1.01 0.00 0.00 42.92 41.61 1jal s ASP 248 CO -0.09 -1.71 1.06 0.47 0.21 0.00 0.00 175.17 175.11 1jal n ASP 249 N -1.62 0.00 -0.02 0.27 9.92 -1.26 -1.73 116.55 122.12 1jal n ASP 249 Ca 0.14 0.10 0.03 0.00 -0.53 0.00 0.00 54.79 54.53 1jal n ASP 249 Cb 0.49 -0.23 -0.09 0.00 -0.64 0.00 0.00 41.12 40.65 1jal n ASP 249 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jal n GLU 250 N -1.23 0.89 -0.01 -1.24 -0.58 -1.26 -3.47 120.64 113.74 1jal n GLU 250 Ca 0.04 -0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.77 1jal n GLU 250 Cb 0.05 -1.27 0.39 0.00 -0.57 0.00 0.00 31.44 30.04 1jal n GLU 250 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1jal n GLU 251 N -2.04 1.04 -0.07 3.49 0.28 -0.70 -3.27 120.64 119.36 1jal n GLU 251 Ca -0.06 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.16 56.73 1jal n GLU 251 Cb 0.45 -1.22 -0.13 0.00 1.43 0.00 0.00 31.44 31.98 1jal n GLU 251 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1jal h LYS 252 N 0.10 0.00 -0.95 3.44 3.64 -1.61 -3.30 116.57 117.90 1jal h LYS 252 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jal h LYS 252 Cb 0.02 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1jal h LYS 252 CO 0.00 1.00 0.60 0.28 -2.27 0.00 0.00 179.45 179.06 1jal h VAL 253 N -1.00 1.25 0.00 2.00 2.07 -1.66 0.76 116.25 119.68 1jal h VAL 253 Ca -0.03 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jal h VAL 253 Cb 1.03 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1jal h VAL 253 CO -0.02 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 1jal n GLU 254 N -4.40 0.59 -0.08 1.57 1.02 -1.20 -2.29 120.64 115.86 1jal n GLU 254 Ca 0.11 0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 1jal n GLU 254 Cb 0.03 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 1jal n GLU 254 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jal n PHE 255 N -1.05 0.00 1.05 -0.32 7.35 0.16 -3.95 117.46 120.70 1jal n PHE 255 Ca 0.15 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.97 1jal n PHE 255 Cb 0.09 -0.69 0.63 0.00 0.35 0.00 0.00 39.48 39.85 1jal n PHE 255 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1jal n LEU 256 N -2.73 0.00 -0.00 -2.13 4.77 -0.58 -3.83 117.00 112.49 1jal n LEU 256 Ca -0.27 0.46 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jal n LEU 256 Cb 0.91 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1jal n LEU 256 CO 0.25 -0.02 0.02 -0.61 -1.33 0.00 0.00 177.39 175.71 1jal h GLN 257 N 0.00 -0.01 -0.91 3.23 5.75 -1.63 -3.11 115.11 118.43 1jal h GLN 257 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jal h GLN 257 Cb 0.44 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1jal h GLN 257 CO 0.00 -0.01 0.00 -0.25 -2.65 0.00 0.00 178.83 175.92 1jal n ASP 258 N -2.43 0.27 0.00 -0.69 8.00 -1.25 -2.77 116.55 117.68 1jal n ASP 258 Ca -0.00 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.22 1jal n ASP 258 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1jal n ASP 258 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jal n LEU 259 N 0.65 0.13 0.00 0.64 -0.00 -1.25 -5.08 117.00 112.09 1jal n LEU 259 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jal n LEU 259 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1jal n LEU 259 CO 0.00 -0.27 0.00 0.61 -0.00 0.00 0.00 177.39 177.73 1jal n GLY 260 N 2.02 3.02 3.92 -3.96 0.00 -1.12 -5.09 105.19 103.98 1jal n GLY 260 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1jal n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jal s ILE 261 N -0.15 5.02 0.09 -0.61 -4.36 -1.20 -5.01 121.20 114.98 1jal s ILE 261 Ca 0.00 -0.06 -0.18 0.00 -0.26 0.00 0.00 60.65 60.15 1jal s ILE 261 Cb 0.00 -3.80 -0.08 0.00 1.25 0.00 0.00 42.46 39.83 1jal s ILE 261 CO 0.00 -0.52 1.52 -0.33 0.24 0.00 0.00 174.94 175.85 1jal h GLU 262 N 1.06 0.46 -2.85 0.37 3.07 -2.01 -3.41 114.58 111.28 1jal h GLU 262 Ca -0.48 -0.15 -0.11 0.00 -0.50 0.00 0.00 59.36 58.12 1jal h GLU 262 Cb 1.20 -0.04 -0.21 0.00 -0.84 0.00 0.00 28.75 28.87 1jal h GLU 262 CO 0.64 0.63 -0.21 -1.83 -1.40 0.00 0.00 179.01 176.84 1jal s GLU 263 N -4.97 0.69 0.49 2.33 -1.05 -1.26 -4.97 118.70 109.96 1jal s GLU 263 Ca -0.14 -0.01 -0.21 0.00 -0.15 0.00 0.00 54.97 54.46 1jal s GLU 263 Cb 0.08 0.31 -0.09 0.00 -0.44 0.00 0.00 34.13 33.99 1jal s GLU 263 CO 0.75 -0.18 0.85 -0.35 0.95 0.00 0.00 175.26 177.27 1jal n PRO 264 N 1.48 0.98 0.20 -4.83 -0.04 -1.26 -4.87 135.00 126.66 1jal n PRO 264 Ca -0.20 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 1jal n PRO 264 Cb 0.56 -1.94 0.41 0.00 -0.04 0.00 0.00 33.50 32.50 1jal n PRO 264 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1jal h GLY 265 N 0.93 0.00 -1.06 0.55 0.00 -1.97 -1.96 103.07 99.57 1jal h GLY 265 Ca -0.45 0.00 0.43 0.00 0.00 0.00 0.00 47.33 47.31 1jal h GLY 265 CO 0.53 0.00 0.89 -2.00 0.00 0.00 0.00 176.54 175.96 1jal h LEU 266 N 0.00 0.22 -2.06 3.11 5.85 -1.95 0.13 115.31 120.62 1jal h LEU 266 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1jal h LEU 266 Cb 0.72 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1jal h LEU 266 CO 0.00 -0.13 -0.02 0.78 -0.34 0.00 0.00 178.44 178.73 1jal h ASN 267 N 0.10 0.00 0.33 1.25 2.35 -1.69 -1.41 115.58 116.50 1jal h ASN 267 Ca 0.79 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 56.22 1jal h ASN 267 Cb 2.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.94 1jal h ASN 267 CO -0.34 0.02 -1.64 0.03 -1.65 0.00 0.00 177.43 173.86 1jal h ARG 268 N 0.00 0.33 -0.28 0.81 3.08 -0.96 -2.13 114.38 115.23 1jal h ARG 268 Ca -0.00 -0.56 0.03 0.00 0.07 0.00 0.00 59.98 59.52 1jal h ARG 268 Cb 0.31 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1jal h ARG 268 CO 0.00 1.21 0.09 0.28 -1.07 0.00 0.00 179.97 180.48 1jal h VAL 269 N 0.09 0.91 -0.34 2.04 2.07 -1.35 -2.19 116.25 117.48 1jal h VAL 269 Ca -0.29 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1jal h VAL 269 Cb 2.06 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 1jal h VAL 269 CO 0.17 0.04 0.16 0.40 0.02 0.00 0.00 177.57 178.36 1jal h ILE 270 N 0.21 0.97 -0.93 4.57 2.04 -1.27 0.11 117.51 123.21 1jal h ILE 270 Ca 0.13 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1jal h ILE 270 Cb 0.10 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1jal h ILE 270 CO -0.14 0.06 0.61 0.03 0.00 0.00 0.00 178.15 178.71 1jal h ARG 271 N 0.33 1.17 -0.02 2.37 3.08 -1.37 -1.76 114.38 118.18 1jal h ARG 271 Ca 0.15 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1jal h ARG 271 Cb 0.07 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 29.86 1jal h ARG 271 CO -0.11 0.77 -0.33 0.00 -1.07 0.00 0.00 179.97 179.23 1jal h ALA 272 N 1.44 0.07 -0.92 0.04 0.00 -0.71 0.18 119.26 119.36 1jal h ALA 272 Ca 0.36 -0.47 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1jal h ALA 272 Cb -0.06 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 1jal h ALA 272 CO -0.10 0.15 -0.34 0.41 0.00 0.00 0.00 179.25 179.38 1jal n GLY 273 N 0.93 -1.84 0.08 0.00 0.00 0.33 0.17 105.19 104.86 1jal n GLY 273 Ca -0.09 1.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.84 1jal n GLY 273 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jal h TYR 274 N 0.00 0.16 -0.51 1.61 3.20 -0.82 0.12 116.97 120.73 1jal h TYR 274 Ca 0.34 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1jal h TYR 274 Cb 0.57 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1jal h TYR 274 CO -0.79 0.14 0.23 0.00 -1.64 0.00 0.00 178.16 176.10 1jal h ALA 275 N 1.01 0.66 -0.86 1.82 0.00 -0.39 -2.57 119.26 118.93 1jal h ALA 275 Ca 0.04 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1jal h ALA 275 Cb 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1jal h ALA 275 CO -0.01 0.25 0.58 1.25 0.00 0.00 0.00 179.25 181.32 1jal h LEU 276 N 0.69 0.33 0.00 0.00 5.85 0.22 0.29 115.31 122.69 1jal h LEU 276 Ca 0.17 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jal h LEU 276 Cb 0.16 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1jal h LEU 276 CO -0.02 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.40 1jal n LEU 277 N -4.47 0.00 -2.34 2.25 4.77 -0.01 -4.86 117.00 112.34 1jal n LEU 277 Ca 0.18 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.35 1jal n LEU 277 Cb 0.70 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1jal n LEU 277 CO 0.32 -0.01 0.08 -3.20 -1.33 0.00 0.00 177.39 173.26 1jal n ASN 278 N -1.30 -2.64 -4.26 -1.43 5.15 0.10 -4.96 115.26 105.92 1jal n ASN 278 Ca 0.13 -0.34 -0.30 0.00 -0.60 0.00 0.00 54.58 53.47 1jal n ASN 278 Cb 0.24 -3.11 -0.16 0.00 -0.53 0.00 0.00 39.78 36.22 1jal n ASN 278 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jal s LEU 279 N -4.49 2.04 0.04 1.20 1.43 -1.04 -1.49 118.68 116.37 1jal s LEU 279 Ca 0.08 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1jal s LEU 279 Cb -0.04 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1jal s LEU 279 CO 0.41 0.27 -0.13 0.00 0.23 0.00 0.00 176.35 177.13 1jal s GLN 280 N -0.38 0.89 0.07 1.70 -2.07 0.18 -4.48 119.66 115.56 1jal s GLN 280 Ca 0.04 -0.72 -0.25 0.00 -1.82 0.00 0.00 55.36 52.61 1jal s GLN 280 Cb -0.11 -0.88 -0.06 0.00 -1.09 0.00 0.00 33.01 30.87 1jal s GLN 280 CO 0.01 0.22 0.77 0.99 -1.32 0.00 0.00 175.29 175.95 1jal s THR 281 N -0.84 4.66 0.36 3.63 2.01 -1.26 0.34 115.64 124.55 1jal s THR 281 Ca 0.01 1.64 0.00 0.00 0.31 0.00 0.00 61.69 63.65 1jal s THR 281 Cb -0.08 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1jal s THR 281 CO 0.01 0.40 0.03 0.00 -0.69 0.00 0.00 174.62 174.37 1jal n TYR 282 N 2.55 0.68 -4.10 4.92 0.18 0.14 -0.74 117.16 120.79 1jal n TYR 282 Ca -0.03 -1.76 -0.16 0.00 1.88 0.00 0.00 57.90 57.83 1jal n TYR 282 Cb 0.50 -0.24 -0.15 0.00 -0.38 0.00 0.00 39.34 39.07 1jal n TYR 282 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1jal s PHE 283 N -2.26 0.41 0.01 -3.48 0.08 0.70 -1.02 117.98 112.41 1jal s PHE 283 Ca 0.02 -0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.00 1jal s PHE 283 Cb -0.00 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 1jal s PHE 283 CO 0.01 -0.03 0.07 0.95 -0.10 0.00 0.00 175.22 176.12 1jal s THR 284 N 0.08 4.63 0.02 0.64 -4.23 -0.42 -0.70 115.64 115.65 1jal s THR 284 Ca -0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1jal s THR 284 Cb -0.04 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1jal s THR 284 CO -0.00 0.33 -0.03 0.00 -0.54 0.00 0.00 174.62 174.38 1jal s ALA 285 N -1.20 0.15 0.00 3.99 0.00 -1.26 -1.05 121.76 122.39 1jal s ALA 285 Ca 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1jal s ALA 285 Cb -0.12 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1jal s ALA 285 CO 0.14 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1jal n GLY 286 N 1.93 0.49 2.83 0.00 0.00 -0.89 -4.97 105.19 104.58 1jal n GLY 286 Ca -0.21 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1jal n GLY 286 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jal n VAL 287 N 6.57 0.00 0.70 1.61 0.24 -1.26 -1.84 118.33 124.35 1jal n VAL 287 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.41 1jal n VAL 287 Cb 0.00 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.49 1jal n VAL 287 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jal n LYS 288 N 0.09 2.04 -3.54 7.34 4.76 -1.26 -2.69 118.16 124.90 1jal n LYS 288 Ca 0.00 -1.87 -0.00 0.00 -2.87 0.00 0.00 58.31 53.57 1jal n LYS 288 Cb 0.00 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 31.73 1jal n LYS 288 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1jal s GLU 289 N -1.65 0.44 -0.14 1.97 2.12 -0.77 -0.22 118.70 120.46 1jal s GLU 289 Ca 0.27 1.07 -0.12 0.00 0.36 0.00 0.00 54.97 56.56 1jal s GLU 289 Cb 0.18 0.60 -0.05 0.00 0.26 0.00 0.00 34.13 35.13 1jal s GLU 289 CO 0.27 -0.15 0.25 0.08 -0.54 0.00 0.00 175.26 175.17 1jal s VAL 290 N 2.55 5.32 -0.05 3.70 1.01 0.17 -2.10 120.40 131.01 1jal s VAL 290 Ca -0.05 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 1jal s VAL 290 Cb -0.08 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1jal s VAL 290 CO -0.18 0.46 0.08 -0.60 0.00 0.00 0.00 175.10 174.87 1jal s ARG 291 N -0.02 -0.02 -0.17 2.72 3.52 -0.22 -0.74 118.95 124.01 1jal s ARG 291 Ca 0.16 0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 55.86 1jal s ARG 291 Cb -0.13 -0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 32.90 1jal s ARG 291 CO 0.04 -0.26 0.92 0.00 -0.81 0.00 0.00 175.30 175.19 1jal s ALA 292 N 1.79 3.53 0.10 6.12 0.00 -0.92 -1.30 121.76 131.07 1jal s ALA 292 Ca -0.01 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.15 1jal s ALA 292 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1jal s ALA 292 CO -0.04 -0.74 0.02 -1.58 0.00 0.00 0.00 175.76 173.42 1jal s TRP 293 N 2.37 3.02 -0.15 0.00 0.52 -0.18 -3.32 118.94 121.19 1jal s TRP 293 Ca 0.42 -0.02 -0.04 0.00 0.02 0.00 0.00 56.10 56.48 1jal s TRP 293 Cb -0.17 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 1jal s TRP 293 CO 0.12 0.49 -0.01 0.99 0.02 0.00 0.00 176.95 178.57 1jal s THR 294 N -1.36 4.19 0.05 2.01 2.01 -1.26 -0.68 115.64 120.59 1jal s THR 294 Ca 0.27 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1jal s THR 294 Cb -0.12 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1jal s THR 294 CO 0.19 0.51 -0.04 0.54 -0.69 0.00 0.00 174.62 175.12 1jal s VAL 295 N 0.12 0.33 0.28 3.82 0.11 0.15 -4.98 120.40 120.24 1jal s VAL 295 Ca 0.01 -1.46 -0.30 0.00 -2.93 0.00 0.00 61.98 57.30 1jal s VAL 295 Cb -0.13 -1.05 -0.10 0.00 -1.53 0.00 0.00 36.38 33.57 1jal s VAL 295 CO 0.02 -0.73 1.43 -0.44 -3.33 0.00 0.00 175.10 172.05 1jal s SER 296 N -2.31 6.62 0.22 3.54 0.01 -1.26 0.47 113.70 120.98 1jal s SER 296 Ca -0.01 2.74 -0.31 0.00 1.31 0.00 0.00 55.95 59.68 1jal s SER 296 Cb -0.01 -2.63 -0.15 0.00 0.21 0.00 0.00 66.02 63.44 1jal s SER 296 CO -0.05 -0.71 1.03 0.52 0.41 0.00 0.00 173.24 174.45 1jal n VAL 297 N 1.83 1.41 -1.07 3.43 0.31 -0.56 -1.41 118.33 122.27 1jal n VAL 297 Ca 0.05 -0.35 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 1jal n VAL 297 Cb 0.40 -0.79 -0.01 0.00 -0.91 0.00 0.00 33.84 32.53 1jal n VAL 297 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jal n GLY 298 N 1.71 0.55 3.77 2.92 0.00 -1.26 -5.03 105.19 107.84 1jal n GLY 298 Ca 0.13 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1jal n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jal s ALA 299 N -1.90 3.33 1.00 4.61 0.00 -0.50 -4.85 121.76 123.45 1jal s ALA 299 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1jal s ALA 299 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1jal s ALA 299 CO 0.00 -0.78 0.00 0.25 0.00 0.00 0.00 175.76 175.23 1jal n THR 300 N 0.31 0.00 -0.07 0.00 -2.24 -1.26 -0.59 114.28 110.43 1jal n THR 300 Ca 0.03 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.65 1jal n THR 300 Cb 0.43 -1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 67.42 1jal n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jal h ALA 301 N -2.00 0.04 -0.69 6.98 0.00 -1.62 -2.61 119.26 119.35 1jal h ALA 301 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1jal h ALA 301 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1jal h ALA 301 CO 0.00 0.14 0.16 -1.00 0.00 0.00 0.00 179.25 178.55 1jal h PRO 302 N -0.96 1.11 -0.05 0.00 0.13 -1.88 0.18 132.00 130.53 1jal h PRO 302 Ca -0.07 -0.27 0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1jal h PRO 302 Cb 1.09 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.03 1jal h PRO 302 CO -0.02 0.99 -0.28 -0.22 -0.23 0.00 0.00 178.00 178.24 1jal h LYS 303 N 1.04 -0.38 -0.71 0.86 1.63 -1.91 0.95 116.57 118.05 1jal h LYS 303 Ca 0.22 0.03 0.15 0.00 -0.85 0.00 0.00 60.65 60.19 1jal h LYS 303 Cb 0.38 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 31.99 1jal h LYS 303 CO 0.00 -0.25 0.18 0.00 -3.45 0.00 0.00 179.45 175.94 1jal h ALA 304 N 0.44 0.92 -0.07 5.00 0.00 -1.26 -2.72 119.26 121.58 1jal h ALA 304 Ca 0.08 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1jal h ALA 304 Cb 0.50 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1jal h ALA 304 CO -0.27 -0.31 -0.56 0.00 0.00 0.00 0.00 179.25 178.10 1jal h ALA 305 N 1.57 0.93 0.00 0.00 0.00 -0.20 -2.58 119.26 118.97 1jal h ALA 305 Ca 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jal h ALA 305 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jal h ALA 305 CO -0.47 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1jal n ALA 306 N -2.46 1.56 -0.12 0.00 0.00 0.29 -0.62 120.51 119.15 1jal n ALA 306 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1jal n ALA 306 Cb 0.59 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 19.00 1jal n ALA 306 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jal h VAL 307 N 0.00 1.18 0.15 0.00 2.07 -1.46 -3.14 116.25 115.06 1jal h VAL 307 Ca 0.00 -0.49 -0.34 0.00 0.82 0.00 0.00 66.70 66.69 1jal h VAL 307 Cb 0.27 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1jal h VAL 307 CO 0.00 0.21 -1.75 0.40 0.02 0.00 0.00 177.57 176.45 1jal h ILE 308 N 0.81 0.92 -2.05 4.57 2.04 -1.04 -3.47 117.51 119.29 1jal h ILE 308 Ca 0.20 -2.55 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 1jal h ILE 308 Cb 0.05 2.70 -0.21 0.00 -0.74 0.00 0.00 36.82 38.62 1jal h ILE 308 CO -0.03 0.84 0.03 -2.28 0.00 0.00 0.00 178.15 176.71 1jal s HIS 309 N -2.58 -0.96 0.37 1.37 5.04 -1.03 -5.07 115.29 112.42 1jal s HIS 309 Ca -0.15 2.02 0.09 0.00 -1.54 0.00 0.00 55.06 55.48 1jal s HIS 309 Cb 0.06 0.51 0.71 0.00 0.04 0.00 0.00 32.58 33.90 1jal s HIS 309 CO 0.84 -0.47 1.86 1.79 -2.34 0.00 0.00 174.74 176.41 1jal h THR 310 N 4.75 1.22 -0.02 0.89 1.35 -1.87 -1.36 112.91 117.87 1jal h THR 310 Ca -0.30 -1.00 0.01 0.00 -0.55 0.00 0.00 66.41 64.56 1jal h THR 310 Cb 1.21 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1jal h THR 310 CO 0.14 0.30 0.05 0.44 -0.25 0.00 0.00 175.52 176.21 1jal h ASP 311 N 0.19 0.00 0.34 5.36 5.19 -1.95 -1.87 116.42 123.68 1jal h ASP 311 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1jal h ASP 311 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1jal h ASP 311 CO 0.03 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 176.64 1jal n PHE 312 N -3.44 0.60 0.12 4.55 3.72 -0.51 -1.17 117.46 121.33 1jal n PHE 312 Ca -0.02 0.27 -0.20 0.00 -0.05 0.00 0.00 57.45 57.45 1jal n PHE 312 Cb 0.13 -0.94 -0.15 0.00 -0.94 0.00 0.00 39.48 37.59 1jal n PHE 312 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1jal h GLU 313 N 0.00 0.38 0.00 -1.08 4.81 -1.55 -0.30 114.58 116.85 1jal h GLU 313 Ca 0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1jal h GLU 313 Cb 0.17 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1jal h GLU 313 CO 0.00 1.31 -0.54 1.63 -0.73 0.00 0.00 179.01 180.69 1jal n LYS 314 N -3.61 0.12 0.00 1.92 4.01 -1.02 -4.62 118.16 114.96 1jal n LYS 314 Ca -0.12 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1jal n LYS 314 Cb 1.06 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 34.00 1jal n LYS 314 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jal n GLY 315 N 1.43 0.75 3.56 0.72 0.00 -0.32 -5.00 105.19 106.33 1jal n GLY 315 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1jal n GLY 315 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jal n PHE 316 N -0.59 0.28 0.02 1.61 7.35 -0.13 -4.63 117.46 121.37 1jal n PHE 316 Ca 0.00 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1jal n PHE 316 Cb 0.01 -2.07 0.00 0.00 0.35 0.00 0.00 39.48 37.77 1jal n PHE 316 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1jal n ILE 317 N -1.64 0.19 -3.63 -2.13 5.41 -1.03 -5.00 119.36 111.53 1jal n ILE 317 Ca 0.13 0.06 -0.09 0.00 1.00 0.00 0.00 62.75 63.85 1jal n ILE 317 Cb 0.47 -1.16 -0.02 0.00 -0.71 0.00 0.00 39.64 38.22 1jal n ILE 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jal s ARG 318 N -2.00 1.45 0.06 0.38 3.03 -1.24 -4.78 118.95 115.85 1jal s ARG 318 Ca 0.00 -0.68 0.09 0.00 2.03 0.00 0.00 55.73 57.16 1jal s ARG 318 Cb 0.00 0.57 -0.03 0.00 -1.03 0.00 0.00 34.95 34.46 1jal s ARG 318 CO 0.00 -0.65 -0.24 0.00 -1.13 0.00 0.00 175.30 173.28 1jal s ALA 319 N -3.74 2.40 -0.39 7.88 0.00 -0.82 -1.85 121.76 125.24 1jal s ALA 319 Ca 0.06 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 1jal s ALA 319 Cb -0.03 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1jal s ALA 319 CO -0.03 0.55 0.22 -1.21 0.00 0.00 0.00 175.76 175.29 1jal s GLU 320 N -1.45 2.76 -0.18 0.00 2.02 0.06 0.14 118.70 122.06 1jal s GLU 320 Ca 0.13 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1jal s GLU 320 Cb -0.10 -3.75 0.01 0.00 0.10 0.00 0.00 34.13 30.39 1jal s GLU 320 CO 0.04 -0.77 -0.17 0.08 0.02 0.00 0.00 175.26 174.46 1jal s VAL 321 N 1.52 2.39 -0.11 2.63 1.01 -0.93 -1.55 120.40 125.36 1jal s VAL 321 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1jal s VAL 321 Cb -0.20 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1jal s VAL 321 CO 0.05 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 175.08 1jal s ILE 322 N 1.17 4.63 0.37 2.22 1.01 0.30 -2.75 121.20 128.16 1jal s ILE 322 Ca 0.02 -0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 1jal s ILE 322 Cb -0.14 -2.99 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 1jal s ILE 322 CO -0.07 0.58 1.26 0.00 0.00 0.00 0.00 174.94 176.70 1jal s ALA 323 N -0.64 3.33 0.00 9.38 0.00 -1.26 -1.01 121.76 131.57 1jal s ALA 323 Ca 0.11 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1jal s ALA 323 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1jal s ALA 323 CO 0.02 -0.64 0.74 0.98 0.00 0.00 0.00 175.76 176.87 1jal n TYR 324 N 0.44 0.00 -0.15 0.00 9.36 -1.19 -1.43 117.16 124.18 1jal n TYR 324 Ca 0.02 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.20 1jal n TYR 324 Cb 0.44 -0.29 -0.04 0.00 -0.63 0.00 0.00 39.34 38.82 1jal n TYR 324 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1jal n GLU 325 N -2.20 -0.16 -0.08 2.98 4.71 -1.26 0.22 120.64 124.84 1jal n GLU 325 Ca 0.00 0.64 -0.03 0.00 -0.01 0.00 0.00 57.16 57.76 1jal n GLU 325 Cb 0.00 -0.94 -0.02 0.00 -1.01 0.00 0.00 31.44 29.47 1jal n GLU 325 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1jal h ASP 326 N 0.00 -0.50 -0.97 1.62 3.32 -1.81 0.15 116.42 118.22 1jal h ASP 326 Ca 0.06 0.07 0.23 0.00 0.02 0.00 0.00 57.03 57.41 1jal h ASP 326 Cb 0.15 0.22 -0.12 0.00 0.22 0.00 0.00 39.33 39.80 1jal h ASP 326 CO -0.34 -0.07 0.55 0.15 -1.72 0.00 0.00 179.24 177.81 1jal h PHE 327 N -0.02 0.94 -0.31 4.55 3.04 0.39 1.59 116.94 127.12 1jal h PHE 327 Ca 0.03 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.87 1jal h PHE 327 Cb 0.11 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1jal h PHE 327 CO -0.88 0.08 -0.40 0.82 -2.02 0.00 0.00 178.31 175.91 1jal h ILE 328 N 0.58 1.29 0.07 1.41 1.08 -0.69 0.91 117.51 122.15 1jal h ILE 328 Ca 0.61 -1.57 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1jal h ILE 328 Cb 1.10 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1jal h ILE 328 CO -0.46 0.51 -0.03 -0.61 -0.69 0.00 0.00 178.15 176.87 1jal h GLN 329 N 0.61 -0.09 -0.00 2.37 4.15 0.51 -3.22 115.11 119.44 1jal h GLN 329 Ca 0.05 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1jal h GLN 329 Cb 0.95 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1jal h GLN 329 CO 0.09 0.36 0.00 1.19 -1.93 0.00 0.00 178.83 178.54 1jal n PHE 330 N -4.79 0.00 -2.79 3.99 3.72 -0.00 -4.94 117.46 112.65 1jal n PHE 330 Ca -0.06 -0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.24 1jal n PHE 330 Cb 0.24 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.83 1jal n PHE 330 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1jal n ASN 331 N -0.82 -2.63 0.00 4.37 2.85 -0.60 -4.06 115.26 114.38 1jal n ASN 331 Ca 0.15 -0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 1jal n ASN 331 Cb 0.07 -3.28 0.00 0.00 1.24 0.00 0.00 39.78 37.81 1jal n ASN 331 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jal n GLY 332 N -1.13 -0.12 0.04 8.20 0.00 0.21 -4.80 105.19 107.59 1jal n GLY 332 Ca -0.14 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.67 1jal n GLY 332 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jal n GLU 333 N 0.00 0.26 -0.23 1.61 2.13 -1.26 -3.11 120.64 120.04 1jal n GLU 333 Ca 0.00 0.34 0.04 0.00 0.66 0.00 0.00 57.16 58.20 1jal n GLU 333 Cb 0.00 -1.21 0.29 0.00 0.27 0.00 0.00 31.44 30.79 1jal n GLU 333 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1jal h ASN 334 N -0.56 0.78 0.20 4.31 4.21 -1.93 0.51 115.58 123.09 1jal h ASN 334 Ca 0.00 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1jal h ASN 334 Cb 0.35 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1jal h ASN 334 CO 0.00 0.52 -0.09 1.23 -1.29 0.00 0.00 177.43 177.80 1jal h GLY 335 N 0.90 0.00 1.27 2.83 0.00 -1.77 0.19 103.07 106.48 1jal h GLY 335 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1jal h GLY 335 CO -0.11 0.00 -0.69 0.00 0.00 0.00 0.00 176.54 175.74 1jal h ALA 336 N 1.91 0.64 0.00 3.60 0.00 -0.93 -3.22 119.26 121.26 1jal h ALA 336 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jal h ALA 336 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jal h ALA 336 CO 0.01 0.00 -0.44 1.17 0.00 0.00 0.00 179.25 179.99 1jal n LYS 337 N -2.65 0.28 0.04 0.00 4.81 0.43 0.40 118.16 121.47 1jal n LYS 337 Ca 0.02 0.12 -0.12 0.00 -0.87 0.00 0.00 58.31 57.45 1jal n LYS 337 Cb 0.52 -1.72 -0.14 0.00 0.02 0.00 0.00 35.03 33.72 1jal n LYS 337 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jal h GLU 338 N 0.00 0.13 0.00 1.64 4.81 -1.00 -2.98 114.58 117.18 1jal h GLU 338 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1jal h GLU 338 Cb 0.74 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1jal h GLU 338 CO 0.00 0.95 0.00 0.00 -0.73 0.00 0.00 179.01 179.23 1jal n ALA 339 N -2.56 2.41 -3.72 2.92 0.00 -1.21 -4.92 120.51 113.43 1jal n ALA 339 Ca -0.12 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1jal n ALA 339 Cb 1.02 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 19.34 1jal n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jal n GLY 340 N 0.48 -0.86 0.00 0.00 0.00 -1.01 -4.92 105.19 98.88 1jal n GLY 340 Ca 0.07 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.51 1jal n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jal n LYS 341 N -4.22 3.32 -1.66 1.61 4.76 0.16 -4.94 118.16 117.19 1jal n LYS 341 Ca -0.13 -0.02 -0.46 0.00 -2.87 0.00 0.00 58.31 54.83 1jal n LYS 341 Cb 0.61 -0.86 -0.04 0.00 -1.84 0.00 0.00 35.03 32.89 1jal n LYS 341 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1jal n TRP 342 N -1.33 2.22 -4.41 2.13 -0.00 -1.22 -4.58 117.44 110.24 1jal n TRP 342 Ca 0.00 0.31 -0.21 0.00 -0.00 0.00 0.00 57.50 57.59 1jal n TRP 342 Cb 0.08 -2.52 -0.13 0.00 -0.00 0.00 0.00 31.31 28.73 1jal n TRP 342 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 177.69 176.71 1jal s ARG 343 N 0.79 1.04 -0.02 5.87 3.03 -1.11 -4.98 118.95 123.57 1jal s ARG 343 Ca 0.78 -0.83 -0.30 0.00 2.03 0.00 0.00 55.73 57.41 1jal s ARG 343 Cb -0.70 -1.09 -0.04 0.00 -1.03 0.00 0.00 34.95 32.10 1jal s ARG 343 CO 0.39 0.27 1.18 -0.51 -1.13 0.00 0.00 175.30 175.50 1jal s LEU 344 N -1.21 4.31 0.22 -1.89 1.43 -1.26 -2.19 118.68 118.09 1jal s LEU 344 Ca 0.03 1.85 0.08 0.00 -1.03 0.00 0.00 54.13 55.05 1jal s LEU 344 Cb -0.08 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1jal s LEU 344 CO 0.02 -0.52 0.07 -1.61 0.23 0.00 0.00 176.35 174.54 1jal s GLU 345 N 1.81 2.59 0.00 1.70 0.41 0.12 -4.94 118.70 120.39 1jal s GLU 345 Ca 0.56 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 1jal s GLU 345 Cb -0.25 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 1jal s GLU 345 CO 0.24 0.42 0.00 0.41 -0.49 0.00 0.00 175.26 175.84 1jal n GLY 346 N -0.68 5.04 0.01 -1.39 0.00 -1.26 -1.95 105.19 104.96 1jal n GLY 346 Ca -0.08 -2.15 0.16 0.00 0.00 0.00 0.00 46.02 43.94 1jal n GLY 346 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jal n LYS 347 N -0.05 1.01 -0.05 1.61 2.85 -1.26 -0.74 118.16 121.53 1jal n LYS 347 Ca 0.00 -0.03 0.01 0.00 -1.05 0.00 0.00 58.31 57.24 1jal n LYS 347 Cb 0.00 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 32.72 1jal n LYS 347 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1jal n ASP 348 N -0.97 0.13 -4.62 -5.58 5.75 -1.26 -4.46 116.55 105.54 1jal n ASP 348 Ca 0.24 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.61 1jal n ASP 348 Cb 0.12 1.51 0.02 0.00 -1.03 0.00 0.00 41.12 41.74 1jal n ASP 348 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jal n TYR 349 N -2.47 1.23 -4.00 2.11 9.36 0.08 -4.79 117.16 118.68 1jal n TYR 349 Ca -0.17 0.52 -0.34 0.00 3.32 0.00 0.00 57.90 61.23 1jal n TYR 349 Cb 0.83 -2.23 -0.15 0.00 -0.63 0.00 0.00 39.34 37.16 1jal n TYR 349 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1jal s ILE 350 N -1.32 2.73 0.40 2.97 1.01 -1.26 -2.02 121.20 123.71 1jal s ILE 350 Ca 0.65 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 1jal s ILE 350 Cb -0.52 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.56 1jal s ILE 350 CO 0.55 0.33 1.03 0.68 0.00 0.00 0.00 174.94 177.53 1jal s VAL 351 N 1.34 3.85 0.17 2.92 -7.23 0.24 -4.99 120.40 116.70 1jal s VAL 351 Ca 0.02 1.37 0.11 0.00 -1.81 0.00 0.00 61.98 61.68 1jal s VAL 351 Cb -0.15 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1jal s VAL 351 CO -0.07 -0.03 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.36 1jal s GLN 352 N -2.58 1.45 0.02 4.82 -0.21 -1.26 -4.44 119.66 117.46 1jal s GLN 352 Ca 0.58 -1.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.35 1jal s GLN 352 Cb -0.20 -1.77 -0.08 0.00 1.00 0.00 0.00 33.01 31.97 1jal s GLN 352 CO 0.25 0.39 0.38 -3.47 -2.12 0.00 0.00 175.29 170.72 1jal n ASP 353 N 0.42 -0.11 -0.03 5.90 2.03 -1.26 -2.00 116.55 121.49 1jal n ASP 353 Ca -0.14 0.46 -0.00 0.00 0.52 0.00 0.00 54.79 55.63 1jal n ASP 353 Cb 0.55 -0.37 -0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1jal n ASP 353 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jal n GLY 354 N 0.64 0.34 3.70 0.27 0.00 0.08 -4.60 105.19 105.62 1jal n GLY 354 Ca 0.08 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1jal n GLY 354 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jal s ASP 355 N -2.05 6.64 -0.37 1.61 1.01 -0.85 -3.15 116.67 119.51 1jal s ASP 355 Ca 0.00 2.48 -0.28 0.00 0.71 0.00 0.00 52.55 55.46 1jal s ASP 355 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1jal s ASP 355 CO 0.00 -0.84 1.04 -0.69 0.21 0.00 0.00 175.17 174.89 1jal s VAL 356 N 2.06 4.47 0.21 -1.27 1.01 -0.18 -0.22 120.40 126.49 1jal s VAL 356 Ca 0.71 1.45 0.09 0.00 0.00 0.00 0.00 61.98 64.23 1jal s VAL 356 Cb -0.40 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.50 1jal s VAL 356 CO 0.31 -0.61 -0.16 -0.04 0.00 0.00 0.00 175.10 174.59 1jal s MET 357 N 3.77 1.40 -0.03 2.72 -1.94 0.12 -0.54 119.30 124.81 1jal s MET 357 Ca 0.44 -1.59 -0.00 0.00 -1.71 0.00 0.00 55.69 52.82 1jal s MET 357 Cb -0.11 -1.31 0.03 0.00 2.01 0.00 0.00 34.83 35.45 1jal s MET 357 CO 0.20 0.24 0.03 -1.58 -0.01 0.00 0.00 175.02 173.89 1jal s HIS 358 N -2.68 0.09 0.31 -0.03 5.65 -0.60 -4.40 115.29 113.64 1jal s HIS 358 Ca 0.23 0.12 0.03 0.00 0.25 0.00 0.00 55.06 55.69 1jal s HIS 358 Cb -0.03 -0.31 -0.03 0.00 -1.18 0.00 0.00 32.58 31.03 1jal s HIS 358 CO 0.09 -0.11 0.48 -0.06 -0.65 0.00 0.00 174.74 174.48 1jal s PHE 359 N 1.24 3.42 -0.02 3.88 0.08 -1.26 -0.76 117.98 124.55 1jal s PHE 359 Ca -0.07 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.14 1jal s PHE 359 Cb -0.13 -1.81 -0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1jal s PHE 359 CO -0.03 0.19 -0.10 1.03 -0.10 0.00 0.00 175.22 176.22 1jal s ARG 360 N -4.19 0.96 0.00 0.44 1.81 -0.77 -4.95 118.95 112.25 1jal s ARG 360 Ca 0.39 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.06 1jal s ARG 360 Cb -0.09 -0.90 0.00 0.00 -0.45 0.00 0.00 34.95 33.50 1jal s ARG 360 CO 0.33 0.15 0.18 1.97 -0.68 0.00 0.00 175.30 177.25 1jal n PHE 361 N 3.16 0.00 -3.99 -0.53 1.16 -1.26 -2.46 117.46 113.54 1jal n PHE 361 Ca -0.17 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.11 1jal n PHE 361 Cb 0.55 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.26 1jal n PHE 361 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1jal s ASN 362 N -0.14 3.54 0.00 5.98 3.84 -1.26 -4.90 114.94 122.00 1jal s ASN 362 Ca 0.00 -0.97 0.00 0.00 0.21 0.00 0.00 52.86 52.10 1jal s ASN 362 Cb 0.00 -1.24 0.00 0.00 -0.55 0.00 0.00 41.25 39.46 1jal s ASN 362 CO 0.00 -0.16 0.00 1.33 -2.79 0.00 0.00 177.10 175.48