#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqa n GLY 2 N 0.00 -0.31 3.71 3.03 0.00 -1.26 -5.16 105.19 105.20 2jqa n GLY 2 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 2jqa n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jqa s HIS 3 N -2.99 -0.19 -0.08 1.61 5.65 -1.26 -5.20 115.29 112.83 2jqa s HIS 3 Ca 0.00 -0.10 -0.30 0.00 0.25 0.00 0.00 55.06 54.91 2jqa s HIS 3 Cb 0.00 0.63 0.12 0.00 -1.18 0.00 0.00 32.58 32.14 2jqa s HIS 3 CO 0.00 -0.83 0.98 -0.08 -0.65 0.00 0.00 174.74 174.16 2jqa s THR 4 N -3.36 0.00 -0.17 0.89 -1.32 -1.26 -5.14 115.64 105.28 2jqa s THR 4 Ca 0.10 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.55 2jqa s THR 4 Cb -0.02 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2jqa s THR 4 CO 0.00 0.00 0.05 -0.04 -2.21 0.00 0.00 174.62 172.42 2jqa s MET 5 N -2.46 0.44 0.64 7.08 1.00 -1.26 -5.16 119.30 119.58 2jqa s MET 5 Ca 0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 55.69 55.42 2jqa s MET 5 Cb -0.01 -1.82 0.01 0.00 0.00 0.00 0.00 34.83 33.01 2jqa s MET 5 CO -0.06 -0.60 1.00 -1.25 0.00 0.00 0.00 175.02 174.12 2jqa s PRO 6 N 1.97 2.98 -0.00 2.03 0.04 -1.26 -5.12 135.00 135.63 2jqa s PRO 6 Ca 0.01 0.28 -0.19 0.00 0.04 0.00 0.00 61.00 61.14 2jqa s PRO 6 Cb -0.16 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.27 2jqa s PRO 6 CO -0.08 -0.82 0.41 0.00 0.04 0.00 0.00 177.00 176.55 2jqa s ALA 7 N -3.17 -1.04 -0.25 8.56 0.00 -1.26 -5.18 121.76 119.43 2jqa s ALA 7 Ca 0.56 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 2jqa s ALA 7 Cb -0.11 0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.28 2jqa s ALA 7 CO 0.49 -0.34 1.05 -1.58 0.00 0.00 0.00 175.76 175.38 2jqa s HIS 8 N -1.65 -0.42 -0.26 0.00 5.04 -1.26 -5.19 115.29 111.56 2jqa s HIS 8 Ca -0.11 0.95 -0.26 0.00 -1.54 0.00 0.00 55.06 54.11 2jqa s HIS 8 Cb -0.03 0.39 0.10 0.00 0.04 0.00 0.00 32.58 33.08 2jqa s HIS 8 CO 0.03 -0.24 0.87 -0.08 -2.34 0.00 0.00 174.74 172.98 2jqa s THR 9 N -0.12 0.00 0.08 0.89 -1.32 -1.26 -5.16 115.64 108.75 2jqa s THR 9 Ca 0.02 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.23 2jqa s THR 9 Cb -0.04 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 2jqa s THR 9 CO -0.05 0.00 0.87 -2.16 -2.21 0.00 0.00 174.62 171.07 2jqa s PRO 10 N 0.13 4.60 0.62 7.08 0.04 -1.26 -5.07 135.00 141.15 2jqa s PRO 10 Ca 0.01 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 2jqa s PRO 10 Cb -0.04 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2jqa s PRO 10 CO -0.02 0.25 1.05 -1.25 0.04 0.00 0.00 177.00 177.08 2jqa s PRO 11 N -0.04 3.23 -0.01 0.56 0.04 -1.26 -5.10 135.00 132.43 2jqa s PRO 11 Ca 0.43 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.34 2jqa s PRO 11 Cb -0.22 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.35 2jqa s PRO 11 CO 0.27 -0.87 0.54 0.00 0.04 0.00 0.00 177.00 176.98 2jqa s ALA 12 N -2.64 -1.40 -0.13 8.56 0.00 -1.26 -5.18 121.76 119.71 2jqa s ALA 12 Ca 0.62 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 2jqa s ALA 12 Cb -0.15 0.16 0.12 0.00 0.00 0.00 0.00 23.12 23.25 2jqa s ALA 12 CO 0.42 -0.40 0.97 -1.14 0.00 0.00 0.00 175.76 175.61 2jqa s GLN 13 N -1.69 0.65 0.06 0.00 0.74 -1.26 -5.20 119.66 112.96 2jqa s GLN 13 Ca -0.09 0.06 -0.05 0.00 0.05 0.00 0.00 55.36 55.32 2jqa s GLN 13 Cb -0.01 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.38 2jqa s GLN 13 CO 0.04 -0.22 0.10 -0.08 -0.55 0.00 0.00 175.29 174.58 2jqa s THR 14 N -1.52 0.16 -0.36 -0.34 -1.32 -1.26 -5.14 115.64 105.86 2jqa s THR 14 Ca -0.01 -1.32 0.02 0.00 -1.21 0.00 0.00 61.69 59.17 2jqa s THR 14 Cb -0.01 -1.23 0.15 0.00 -1.51 0.00 0.00 72.50 69.90 2jqa s THR 14 CO -0.00 -0.73 0.31 0.00 -2.21 0.00 0.00 174.62 171.99 2jqa s ALA 15 N -3.43 0.07 0.48 11.08 0.00 -1.26 -5.15 121.76 123.55 2jqa s ALA 15 Ca 0.02 -1.29 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 2jqa s ALA 15 Cb 0.04 -1.88 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 2jqa s ALA 15 CO -0.08 -2.12 0.90 -1.25 0.00 0.00 0.00 175.76 173.21 2jqa s PRO 16 N 1.32 3.84 0.02 0.00 0.04 -1.26 -5.11 135.00 133.85 2jqa s PRO 16 Ca 0.17 0.73 -0.21 0.00 0.04 0.00 0.00 61.00 61.73 2jqa s PRO 16 Cb -0.18 -2.23 0.04 0.00 0.04 0.00 0.00 34.50 32.17 2jqa s PRO 16 CO -0.02 -0.21 0.47 0.00 0.04 0.00 0.00 177.00 177.28 2jqa s ALA 17 N -2.59 -1.20 0.13 8.56 0.00 -1.26 -5.18 121.76 120.22 2jqa s ALA 17 Ca 0.55 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 2jqa s ALA 17 Cb -0.10 0.26 0.08 0.00 0.00 0.00 0.00 23.12 23.35 2jqa s ALA 17 CO 0.34 -0.43 1.04 0.00 0.00 0.00 0.00 175.76 176.72 2jqa s ALA 18 N -2.06 -1.77 0.26 0.00 0.00 -1.26 -5.20 121.76 111.72 2jqa s ALA 18 Ca -0.08 0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.83 2jqa s ALA 18 Cb -0.01 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.74 2jqa s ALA 18 CO 0.01 -1.05 0.64 -1.14 0.00 0.00 0.00 175.76 174.22 2jqa s GLN 19 N -2.88 1.66 0.00 0.00 0.74 -1.26 -5.20 119.66 112.72 2jqa s GLN 19 Ca 0.15 -0.99 -0.00 0.00 0.05 0.00 0.00 55.36 54.56 2jqa s GLN 19 Cb -0.00 0.57 0.00 0.00 1.10 0.00 0.00 33.01 34.68 2jqa s GLN 19 CO 0.02 -0.74 0.01 1.17 -0.55 0.00 0.00 175.29 175.20 2jqa n LYS 20 N -0.42 0.01 0.00 1.67 4.81 -1.26 -5.14 118.16 117.83 2jqa n LYS 20 Ca -0.05 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2jqa n LYS 20 Cb 0.60 0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.69 2jqa n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jqa n ALA 21 N -2.97 0.00 0.00 3.14 0.00 -1.26 -5.03 120.51 114.39 2jqa n ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jqa n ALA 21 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2jqa n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqa n GLY 22 N 0.00 -0.74 2.96 0.00 0.00 -1.26 -5.15 105.19 101.00 2jqa n GLY 22 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 2jqa n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa s ALA 23 N -1.00 0.64 -0.25 4.61 0.00 -1.26 -5.15 121.76 119.35 2jqa s ALA 23 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.47 2jqa s ALA 23 Cb 0.00 -0.25 0.14 0.00 0.00 0.00 0.00 23.12 23.01 2jqa s ALA 23 CO 0.00 0.10 1.10 -1.14 0.00 0.00 0.00 175.76 175.82 2jqa s GLN 24 N 0.20 0.44 -0.14 0.00 0.74 -1.26 -5.21 119.66 114.44 2jqa s GLN 24 Ca -0.02 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.43 2jqa s GLN 24 Cb -0.07 0.21 0.11 0.00 1.10 0.00 0.00 33.01 34.36 2jqa s GLN 24 CO -0.00 -0.09 0.92 0.00 -0.55 0.00 0.00 175.29 175.57 2jqa s ALA 25 N -0.30 -1.89 0.09 1.58 0.00 -1.26 -5.20 121.76 114.77 2jqa s ALA 25 Ca 0.03 1.53 0.06 0.00 0.00 0.00 0.00 51.96 53.58 2jqa s ALA 25 Cb -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2jqa s ALA 25 CO -0.05 -0.32 -0.17 -0.51 0.00 0.00 0.00 175.76 174.71 2jqa s LEU 26 N -1.09 2.29 0.00 0.00 1.02 -1.26 -5.06 118.68 114.59 2jqa s LEU 26 Ca -0.04 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.46 2jqa s LEU 26 Cb -0.00 -0.65 0.00 0.00 0.02 0.00 0.00 46.19 45.56 2jqa s LEU 26 CO 0.04 -0.03 1.62 -0.81 0.02 0.00 0.00 176.35 177.18 2jqa n PRO 27 N 1.16 0.85 -3.75 1.29 -0.04 -1.26 -4.73 135.00 128.52 2jqa n PRO 27 Ca -0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 2jqa n PRO 27 Cb 0.54 -1.07 -0.13 0.00 -0.04 0.00 0.00 33.50 32.80 2jqa n PRO 27 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jqa s VAL 28 N 0.28 -0.03 -0.11 0.52 0.11 -1.26 -4.73 120.40 115.18 2jqa s VAL 28 Ca 0.00 0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2jqa s VAL 28 Cb 0.00 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2jqa s VAL 28 CO 0.00 0.04 0.05 -0.89 -3.33 0.00 0.00 175.10 170.97 2jqa s THR 29 N 0.88 4.74 -0.05 5.04 2.01 -1.26 -5.05 115.64 121.95 2jqa s THR 29 Ca -0.06 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 2jqa s THR 29 Cb -0.08 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2jqa s THR 29 CO -0.05 0.59 0.18 0.68 -0.69 0.00 0.00 174.62 175.32 2jqa s VAL 30 N -0.77 5.45 -0.45 3.82 -7.23 -1.26 -2.98 120.40 116.98 2jqa s VAL 30 Ca 0.12 0.04 0.13 0.00 -1.81 0.00 0.00 61.98 60.46 2jqa s VAL 30 Cb -0.12 -3.49 0.13 0.00 0.56 0.00 0.00 36.38 33.46 2jqa s VAL 30 CO 0.03 0.46 1.36 0.00 -0.31 0.00 0.00 175.10 176.63 2jqa n GLN 31 N 1.40 0.08 0.00 4.82 10.64 -1.10 -4.88 117.38 128.34 2jqa n GLN 31 Ca -0.15 0.56 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 2jqa n GLN 31 Cb 0.54 -1.82 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jqa n GLY 32 N -1.36 0.81 3.22 2.61 0.00 -1.26 -3.82 105.19 105.38 2jqa n GLY 32 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2jqa n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa n ALA 33 N 0.00 -2.54 -2.99 4.61 0.00 -1.26 -4.55 120.51 113.79 2jqa n ALA 33 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 2jqa n ALA 33 Cb 0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 16.99 2jqa n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jqa s THR 34 N -3.09 2.37 0.23 0.00 2.01 -1.05 -1.91 115.64 114.21 2jqa s THR 34 Ca 0.11 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 60.98 2jqa s THR 34 Cb -0.02 -1.92 -0.08 0.00 0.01 0.00 0.00 72.50 70.48 2jqa s THR 34 CO 0.77 0.56 0.74 -0.69 -0.69 0.00 0.00 174.62 175.31 2jqa s VAL 35 N 0.12 4.54 -0.83 3.82 1.01 -0.06 -0.92 120.40 128.08 2jqa s VAL 35 Ca -0.10 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 2jqa s VAL 35 Cb -0.16 -3.87 0.15 0.00 0.00 0.00 0.00 36.38 32.51 2jqa s VAL 35 CO 0.06 0.20 0.93 0.00 0.00 0.00 0.00 175.10 176.29 2jqa s ALA 36 N -1.54 3.60 0.58 5.51 0.00 0.45 -1.19 121.76 129.18 2jqa s ALA 36 Ca 0.44 -2.82 -0.19 0.00 0.00 0.00 0.00 51.96 49.39 2jqa s ALA 36 Cb -0.17 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 2jqa s ALA 36 CO 0.21 -2.64 1.17 0.00 0.00 0.00 0.00 175.76 174.51 2jqa s ALA 37 N 1.91 2.59 0.07 0.00 0.00 0.52 -3.85 121.76 123.00 2jqa s ALA 37 Ca 0.24 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 2jqa s ALA 37 Cb -0.10 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2jqa s ALA 37 CO -0.06 -1.03 0.11 0.14 0.00 0.00 0.00 175.76 174.92 2jqa s VAL 38 N -1.71 0.16 0.89 0.00 -7.23 -1.26 -1.01 120.40 110.24 2jqa s VAL 38 Ca 0.75 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 2jqa s VAL 38 Cb -0.27 -1.29 0.13 0.00 0.56 0.00 0.00 36.38 35.50 2jqa s VAL 38 CO 0.31 -0.74 1.11 -2.16 -0.31 0.00 0.00 175.10 173.32 2jqa s PRO 39 N -3.59 1.28 0.19 4.82 0.04 -1.26 -4.87 135.00 131.60 2jqa s PRO 39 Ca 0.03 1.30 0.16 0.00 0.04 0.00 0.00 61.00 62.54 2jqa s PRO 39 Cb 0.04 -1.78 0.78 0.00 0.04 0.00 0.00 34.50 33.59 2jqa s PRO 39 CO -0.09 -2.37 1.50 -0.35 0.04 0.00 0.00 177.00 175.73 2jqa n PRO 40 N -4.03 0.10 0.08 0.56 -0.04 -1.26 -1.21 135.00 129.20 2jqa n PRO 40 Ca 0.10 0.49 0.08 0.00 -0.04 0.00 0.00 63.50 64.13 2jqa n PRO 40 Cb 0.53 -1.77 0.36 0.00 -0.04 0.00 0.00 33.50 32.58 2jqa n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jqa n SER 41 N -1.97 0.33 -4.04 3.54 7.64 -1.26 -4.51 113.62 113.34 2jqa n SER 41 Ca 0.01 0.62 -0.32 0.00 1.01 0.00 0.00 58.87 60.18 2jqa n SER 41 Cb 0.10 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.48 2jqa n SER 41 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jqa s ILE 42 N -3.24 2.35 0.00 0.44 -1.09 -0.35 -5.01 121.20 114.31 2jqa s ILE 42 Ca 0.02 -2.13 0.00 0.00 -2.23 0.00 0.00 60.65 56.31 2jqa s ILE 42 Cb 0.06 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.30 2jqa s ILE 42 CO 0.21 -0.46 1.32 -2.11 -1.23 0.00 0.00 174.94 172.67 2jqa n ARG 43 N 4.33 0.97 -3.75 2.79 1.85 -1.26 -4.70 116.66 116.89 2jqa n ARG 43 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 2jqa n ARG 43 Cb 0.42 -1.02 -0.14 0.00 -1.05 0.00 0.00 32.46 30.67 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jqa s ASP 44 N 1.36 -0.13 0.51 2.89 1.01 -1.26 -2.09 116.67 118.96 2jqa s ASP 44 Ca 0.00 0.32 0.02 0.00 0.71 0.00 0.00 52.55 53.61 2jqa s ASP 44 Cb 0.00 0.21 -0.01 0.00 1.01 0.00 0.00 42.92 44.13 2jqa s ASP 44 CO 0.00 -0.15 0.07 0.42 0.21 0.00 0.00 175.17 175.73 2jqa s THR 45 N 1.14 1.33 -0.06 -1.27 -4.23 -1.24 -4.86 115.64 106.45 2jqa s THR 45 Ca -0.09 -1.91 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 2jqa s THR 45 Cb -0.11 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.51 2jqa s THR 45 CO -0.06 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.26 2jqa s ALA 46 N -2.84 -0.60 -0.08 3.99 0.00 -1.25 -0.56 121.76 120.42 2jqa s ALA 46 Ca 0.13 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 2jqa s ALA 46 Cb 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2jqa s ALA 46 CO 0.08 -0.16 0.05 0.00 0.00 0.00 0.00 175.76 175.73 2jqa s ALA 47 N -0.39 3.49 -0.09 0.00 0.00 -0.25 -0.41 121.76 124.11 2jqa s ALA 47 Ca -0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2jqa s ALA 47 Cb -0.03 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2jqa s ALA 47 CO 0.01 0.62 -0.02 -0.47 0.00 0.00 0.00 175.76 175.90 2jqa s TYR 48 N -0.98 3.10 -0.29 0.00 6.14 -0.10 -3.74 117.35 121.48 2jqa s TYR 48 Ca 0.15 0.13 -0.00 0.00 0.64 0.00 0.00 57.07 57.99 2jqa s TYR 48 Cb -0.12 -1.78 0.19 0.00 0.42 0.00 0.00 41.96 40.68 2jqa s TYR 48 CO 0.05 0.41 0.73 0.00 0.64 0.00 0.00 175.55 177.37 2jqa s MET 49 N -0.79 0.44 -0.16 4.97 0.23 -0.42 -2.52 119.30 121.05 2jqa s MET 49 Ca 0.12 0.50 -0.00 0.00 -1.03 0.00 0.00 55.69 55.28 2jqa s MET 49 Cb -0.11 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.46 2jqa s MET 49 CO 0.02 -0.75 -0.08 0.99 -2.03 0.00 0.00 175.02 173.16 2jqa s THR 50 N 2.87 1.29 -0.21 3.16 2.01 -1.25 -1.29 115.64 122.22 2jqa s THR 50 Ca 0.15 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 2jqa s THR 50 Cb -0.09 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2jqa s THR 50 CO -0.24 0.25 0.43 -0.22 -0.69 0.00 0.00 174.62 174.15 2jqa s LEU 51 N 1.57 4.13 -0.19 4.42 1.98 -0.50 -2.70 118.68 127.39 2jqa s LEU 51 Ca 0.02 0.52 -0.11 0.00 -2.89 0.00 0.00 54.13 51.67 2jqa s LEU 51 Cb -0.14 -2.55 -0.05 0.00 0.66 0.00 0.00 46.19 44.10 2jqa s LEU 51 CO -0.08 -0.12 0.17 0.28 -1.89 0.00 0.00 176.35 174.70 2jqa s THR 52 N 1.52 5.38 0.17 3.68 -1.32 -1.16 -4.08 115.64 119.84 2jqa s THR 52 Ca 0.20 0.28 -0.26 0.00 -1.21 0.00 0.00 61.69 60.69 2jqa s THR 52 Cb -0.15 -3.51 -0.08 0.00 -1.51 0.00 0.00 72.50 67.25 2jqa s THR 52 CO 0.09 0.43 0.82 0.20 -2.21 0.00 0.00 174.62 173.94 2jqa s ASN 53 N 0.38 7.44 -0.43 8.08 0.01 -1.26 -4.15 114.94 125.01 2jqa s ASN 53 Ca 0.10 1.70 0.06 0.00 -0.71 0.00 0.00 52.86 54.01 2jqa s ASN 53 Cb -0.11 -2.52 0.32 0.00 0.41 0.00 0.00 41.25 39.34 2jqa s ASN 53 CO -0.00 0.17 1.18 1.17 -1.51 0.00 0.00 177.10 178.11 2jqa n LYS 54 N 1.71 0.84 0.00 -0.60 4.81 -1.26 -4.91 118.16 118.75 2jqa n LYS 54 Ca -0.04 -1.67 0.00 0.00 -0.87 0.00 0.00 58.31 55.73 2jqa n LYS 54 Cb 0.48 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.71 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jqa n SER 55 N 0.36 0.00 -1.62 3.14 7.64 -1.26 -4.74 113.62 117.15 2jqa n SER 55 Ca 0.03 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.91 2jqa n SER 55 Cb 0.71 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 2jqa n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jqa n ASP 56 N 0.00 -2.48 -3.41 6.43 9.92 -1.26 -5.07 116.55 120.68 2jqa n ASP 56 Ca 0.00 0.03 -0.22 0.00 -0.53 0.00 0.00 54.79 54.07 2jqa n ASP 56 Cb 0.00 -1.36 -0.10 0.00 -0.64 0.00 0.00 41.12 39.02 2jqa n ASP 56 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2jqa s GLN 57 N -1.78 0.54 -1.35 -1.24 -1.52 -1.26 -4.89 119.66 108.16 2jqa s GLN 57 Ca 0.01 -0.92 -0.14 0.00 -1.95 0.00 0.00 55.36 52.37 2jqa s GLN 57 Cb -0.00 -0.94 0.09 0.00 -0.22 0.00 0.00 33.01 31.94 2jqa s GLN 57 CO 0.06 -1.17 1.93 -0.35 -0.25 0.00 0.00 175.29 175.51 2jqa n PRO 58 N 4.36 3.18 -0.82 2.91 -0.04 -1.22 -4.73 135.00 138.64 2jqa n PRO 58 Ca 0.09 -3.14 -0.31 0.00 -0.04 0.00 0.00 63.50 60.10 2jqa n PRO 58 Cb 0.42 -3.22 0.15 0.00 -0.04 0.00 0.00 33.50 30.81 2jqa n PRO 58 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jqa s ILE 59 N 2.58 2.35 -0.10 0.52 -1.09 -1.26 -4.64 121.20 119.56 2jqa s ILE 59 Ca 0.46 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.99 2jqa s ILE 59 Cb 0.08 -2.25 0.03 0.00 -1.58 0.00 0.00 42.46 38.75 2jqa s ILE 59 CO -0.02 -0.15 -0.03 -1.59 -1.23 0.00 0.00 174.94 171.93 2jqa s LYS 60 N -4.70 1.02 -0.27 2.79 0.00 -1.26 -1.38 119.74 115.93 2jqa s LYS 60 Ca 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 55.97 56.54 2jqa s LYS 60 Cb -0.22 -1.31 0.16 0.00 0.00 0.00 0.00 37.83 36.46 2jqa s LYS 60 CO 0.58 -0.31 0.43 -1.17 0.00 0.00 0.00 175.35 174.88 2jqa s LEU 61 N 1.85 -0.86 -0.14 2.77 2.96 0.10 -4.05 118.68 121.31 2jqa s LEU 61 Ca 0.05 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2jqa s LEU 61 Cb -0.13 1.31 0.01 0.00 0.50 0.00 0.00 46.19 47.88 2jqa s LEU 61 CO -0.07 -0.32 2.40 0.52 -1.32 0.00 0.00 176.35 177.57 2jqa n VAL 62 N 5.37 2.55 -4.80 1.68 0.31 0.65 -1.57 118.33 122.53 2jqa n VAL 62 Ca -0.01 -1.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.04 2jqa n VAL 62 Cb 0.50 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jqa n GLY 63 N 1.30 0.51 3.18 2.92 0.00 -1.26 -4.81 105.19 107.03 2jqa n GLY 63 Ca 0.22 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2jqa n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa s ALA 64 N -1.80 -0.78 0.60 4.61 0.00 -1.26 -3.29 121.76 119.85 2jqa s ALA 64 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.07 2jqa s ALA 64 Cb 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.56 2jqa s ALA 64 CO 0.00 -0.19 0.83 0.00 0.00 0.00 0.00 175.76 176.40 2jqa s ALA 65 N 0.77 4.15 -0.25 0.00 0.00 -0.22 -4.83 121.76 121.38 2jqa s ALA 65 Ca -0.05 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 49.98 2jqa s ALA 65 Cb -0.06 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.33 2jqa s ALA 65 CO -0.05 -0.98 0.64 -0.08 0.00 0.00 0.00 175.76 175.28 2jqa s THR 66 N -2.82 -0.00 -2.17 0.00 -1.32 -1.26 -0.46 115.64 107.61 2jqa s THR 66 Ca 0.62 0.02 0.18 0.00 -1.21 0.00 0.00 61.69 61.29 2jqa s THR 66 Cb -0.07 -0.91 0.43 0.00 -1.51 0.00 0.00 72.50 70.44 2jqa s THR 66 CO 0.40 0.01 1.42 -0.81 -2.21 0.00 0.00 174.62 173.43 2jqa n PRO 67 N 3.96 2.05 0.18 7.08 -0.04 -1.26 -4.41 135.00 142.56 2jqa n PRO 67 Ca -0.19 -1.61 0.13 0.00 -0.04 0.00 0.00 63.50 61.79 2jqa n PRO 67 Cb 0.58 -1.40 0.59 0.00 -0.04 0.00 0.00 33.50 33.23 2jqa n PRO 67 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2jqa h LEU 68 N 2.89 0.00 -8.66 1.53 -0.00 -1.96 -3.43 115.31 105.68 2jqa h LEU 68 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.88 57.48 2jqa h LEU 68 Cb 0.65 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.14 2jqa h LEU 68 CO 0.00 0.00 -0.74 0.00 -0.00 0.00 0.00 178.44 177.70 2jqa s ALA 69 N -3.48 1.56 0.32 1.53 0.00 -1.26 -4.14 121.76 116.30 2jqa s ALA 69 Ca 0.02 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.64 2jqa s ALA 69 Cb 0.09 -0.05 0.55 0.00 0.00 0.00 0.00 23.12 23.71 2jqa s ALA 69 CO 0.38 0.05 1.78 1.15 0.00 0.00 0.00 175.76 179.12 2jqa h THR 70 N 3.18 1.25 -3.77 0.00 2.02 -1.04 -3.34 112.91 111.22 2jqa h THR 70 Ca -0.39 -1.20 -0.65 0.00 0.77 0.00 0.00 66.41 64.94 2jqa h THR 70 Cb 1.20 1.42 -0.38 0.00 -1.74 0.00 0.00 68.15 68.65 2jqa h THR 70 CO 0.56 0.37 -0.78 -0.55 0.37 0.00 0.00 175.52 175.49 2jqa s SER 71 N -6.85 4.41 0.27 4.18 0.15 0.03 -5.04 113.70 110.85 2jqa s SER 71 Ca -0.06 -1.54 -0.30 0.00 0.70 0.00 0.00 55.95 54.75 2jqa s SER 71 Cb 0.14 -1.48 -0.13 0.00 -1.71 0.00 0.00 66.02 62.84 2jqa s SER 71 CO 0.76 -0.25 1.44 -0.81 1.20 0.00 0.00 173.24 175.58 2jqa n PRO 72 N 4.44 2.23 -3.40 5.44 -0.04 -1.26 -0.62 135.00 141.81 2jqa n PRO 72 Ca -0.09 0.79 -0.17 0.00 -0.04 0.00 0.00 63.50 63.99 2jqa n PRO 72 Cb 0.42 -2.47 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 2jqa n PRO 72 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2jqa s MET 73 N -0.73 0.35 -0.24 0.54 1.75 0.05 -4.91 119.30 116.11 2jqa s MET 73 Ca 0.64 -0.23 -0.09 0.00 -1.25 0.00 0.00 55.69 54.77 2jqa s MET 73 Cb -0.59 -0.68 -0.04 0.00 2.84 0.00 0.00 34.83 36.36 2jqa s MET 73 CO 0.52 -1.05 0.12 -0.48 -0.65 0.00 0.00 175.02 173.49 2jqa s LEU 74 N 2.26 3.84 -0.04 4.11 -0.00 -1.26 -0.77 118.68 126.82 2jqa s LEU 74 Ca 0.10 -0.02 -0.03 0.00 -0.00 0.00 0.00 54.13 54.19 2jqa s LEU 74 Cb -0.14 -2.03 0.02 0.00 -0.00 0.00 0.00 46.19 44.03 2jqa s LEU 74 CO -0.30 0.03 0.09 0.00 -0.00 0.00 0.00 176.35 176.17 2jqa s MET 75 N 1.27 0.09 -0.05 1.48 0.23 -0.28 -4.45 119.30 117.58 2jqa s MET 75 Ca 0.06 0.17 -0.02 0.00 -1.03 0.00 0.00 55.69 54.87 2jqa s MET 75 Cb -0.14 -0.01 0.03 0.00 -1.53 0.00 0.00 34.83 33.18 2jqa s MET 75 CO 0.05 -0.05 0.11 0.95 -2.03 0.00 0.00 175.02 174.05 2jqa s THR 76 N 0.32 -0.05 -0.18 3.16 -4.23 -1.26 -0.63 115.64 112.76 2jqa s THR 76 Ca -0.02 0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.40 2jqa s THR 76 Cb -0.03 -0.18 0.08 0.00 1.34 0.00 0.00 72.50 73.70 2jqa s THR 76 CO -0.01 0.07 0.74 -0.89 -0.54 0.00 0.00 174.62 174.00 2jqa s THR 77 N 1.08 0.00 0.00 3.99 2.01 -1.00 -1.62 115.64 120.11 2jqa s THR 77 Ca -0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2jqa s THR 77 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 2jqa s THR 77 CO -0.05 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.23 2jqa n THR 78 N 1.90 0.00 -3.32 -0.82 -2.24 0.03 -4.44 114.28 105.39 2jqa n THR 78 Ca -0.16 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2jqa n THR 78 Cb 0.56 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 2jqa n THR 78 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2jqa s HIS 79 N 0.00 -0.79 -1.33 4.78 -3.43 -1.26 -1.18 115.29 112.07 2jqa s HIS 79 Ca 0.00 -0.20 0.28 0.00 -0.80 0.00 0.00 55.06 54.34 2jqa s HIS 79 Cb 0.00 -0.21 0.98 0.00 -1.43 0.00 0.00 32.58 31.93 2jqa s HIS 79 CO 0.00 -1.01 1.72 0.45 -2.00 0.00 0.00 174.74 173.91 2jqa n SER 80 N 4.74 0.42 0.00 7.38 2.88 -1.23 -4.91 113.62 122.91 2jqa n SER 80 Ca 0.06 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2jqa n SER 80 Cb 0.49 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2jqa n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jqa n GLY 81 N 1.40 -0.35 0.02 0.46 0.00 -1.26 -4.84 105.19 100.62 2jqa n GLY 81 Ca 0.10 0.46 -0.00 0.00 0.00 0.00 0.00 46.02 46.58 2jqa n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqa n GLY 82 N 0.00 -0.42 3.86 -0.02 0.00 -1.25 -4.94 105.19 102.42 2jqa n GLY 82 Ca 0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2jqa n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jqa s MET 83 N -2.41 3.91 0.04 1.61 0.00 -1.26 -4.95 119.30 116.25 2jqa s MET 83 Ca -0.04 0.55 -0.17 0.00 0.00 0.00 0.00 55.69 56.03 2jqa s MET 83 Cb 0.04 -2.45 0.03 0.00 0.00 0.00 0.00 34.83 32.45 2jqa s MET 83 CO 0.36 0.13 0.38 0.00 0.00 0.00 0.00 175.02 175.89 2jqa s ALA 84 N -2.07 -0.92 0.00 4.11 0.00 -1.26 -3.50 121.76 118.12 2jqa s ALA 84 Ca 0.52 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2jqa s ALA 84 Cb -0.10 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2jqa s ALA 84 CO 0.22 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2jqa n GLY 85 N 0.52 -0.15 3.28 0.00 0.00 -0.33 -5.00 105.19 103.52 2jqa n GLY 85 Ca -0.19 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2jqa n GLY 85 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2jqa s MET 86 N -1.35 1.15 -0.10 1.61 0.00 -1.26 -0.79 119.30 118.56 2jqa s MET 86 Ca 0.00 -1.52 -0.01 0.00 0.00 0.00 0.00 55.69 54.16 2jqa s MET 86 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 34.83 34.17 2jqa s MET 86 CO 0.00 0.02 0.51 0.36 0.00 0.00 0.00 175.02 175.91 2jqa n LYS 87 N -0.27 0.00 -0.63 3.16 2.85 -0.64 -4.67 118.16 117.96 2jqa n LYS 87 Ca -0.09 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.18 2jqa n LYS 87 Cb 0.62 -0.40 0.01 0.00 -0.65 0.00 0.00 35.03 34.60 2jqa n LYS 87 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2jqa n MET 88 N 1.89 0.03 0.00 -1.58 2.81 -1.10 -4.79 117.12 114.38 2jqa n MET 88 Ca 0.07 -1.17 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 2jqa n MET 88 Cb 0.16 -0.45 0.00 0.00 -0.71 0.00 0.00 33.22 32.22 2jqa n MET 88 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2jqa n VAL 89 N 0.04 0.00 -2.57 2.03 0.24 -1.26 -4.91 118.33 111.90 2jqa n VAL 89 Ca 0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 2jqa n VAL 89 Cb 0.76 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 2jqa n VAL 89 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2jqa s PRO 90 N -1.98 4.54 -0.52 7.34 0.04 -1.26 -4.76 135.00 138.40 2jqa s PRO 90 Ca 0.00 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 2jqa s PRO 90 Cb 0.00 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 31.21 2jqa s PRO 90 CO 0.00 -0.07 0.81 1.67 0.04 0.00 0.00 177.00 179.45 2jqa s TRP 91 N 0.67 2.91 0.00 0.56 -2.14 -1.26 -4.31 118.94 115.37 2jqa s TRP 91 Ca 0.53 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 59.16 2jqa s TRP 91 Cb -0.26 -3.83 0.00 0.00 -3.10 0.00 0.00 33.47 26.28 2jqa s TRP 91 CO 0.30 -1.18 0.00 1.47 -2.66 0.00 0.00 176.95 174.88 2jqa n LEU 92 N 6.93 0.00 -4.81 -4.66 -0.00 -0.61 -4.68 117.00 109.16 2jqa n LEU 92 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.64 2jqa n LEU 92 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.82 2jqa n LEU 92 CO 0.60 0.00 -0.21 -0.89 -0.00 0.00 0.00 177.39 176.88 2jqa s THR 93 N 0.00 5.14 -0.88 1.47 2.01 -1.26 0.03 115.64 122.14 2jqa s THR 93 Ca 0.00 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2jqa s THR 93 Cb 0.00 -3.22 0.22 0.00 0.01 0.00 0.00 72.50 69.50 2jqa s THR 93 CO 0.00 0.61 0.77 0.27 -0.69 0.00 0.00 174.62 175.57 2jqa s ILE 94 N -0.91 4.31 0.72 1.82 -4.36 -0.48 -4.78 121.20 117.52 2jqa s ILE 94 Ca 0.14 -3.86 -0.15 0.00 -0.26 0.00 0.00 60.65 56.52 2jqa s ILE 94 Cb -0.12 -3.68 0.03 0.00 1.25 0.00 0.00 42.46 39.94 2jqa s ILE 94 CO 0.03 -1.08 1.20 -2.16 0.24 0.00 0.00 174.94 173.17 2jqa s PRO 95 N -1.32 2.24 0.23 0.37 0.04 -1.26 -3.37 135.00 131.92 2jqa s PRO 95 Ca 0.27 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 2jqa s PRO 95 Cb -0.07 -1.85 0.28 0.00 0.04 0.00 0.00 34.50 32.90 2jqa s PRO 95 CO -0.12 -1.76 1.59 0.00 0.04 0.00 0.00 177.00 176.75 2jqa h ALA 96 N -0.19 0.36 -0.43 8.56 0.00 -1.91 -1.64 119.26 124.01 2jqa h ALA 96 Ca -0.48 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jqa h ALA 96 Cb 1.29 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2jqa h ALA 96 CO 0.50 -0.49 0.00 -2.13 0.00 0.00 0.00 179.25 177.13 2jqa n ARG 97 N -5.50 2.22 -2.70 0.00 0.00 -1.26 -4.25 116.66 105.17 2jqa n ARG 97 Ca 0.10 -1.63 -0.07 0.00 -0.00 0.00 0.00 57.85 56.24 2jqa n ARG 97 Cb 0.40 -1.43 0.11 0.00 0.00 0.00 0.00 32.46 31.53 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqa n GLY 98 N 1.08 1.31 3.76 5.14 0.00 -0.63 -3.87 105.19 111.96 2jqa n GLY 98 Ca 0.15 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2jqa n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jqa s THR 99 N -0.02 4.10 0.31 2.61 -1.32 -1.11 -4.12 115.64 116.09 2jqa s THR 99 Ca 0.22 2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 62.42 2jqa s THR 99 Cb 0.40 -4.23 -0.10 0.00 -1.51 0.00 0.00 72.50 67.06 2jqa s THR 99 CO -0.08 0.39 1.21 -1.48 -2.21 0.00 0.00 174.62 172.46 2jqa s LEU 100 N -1.44 4.47 -0.44 9.08 2.34 -1.26 -4.66 118.68 126.77 2jqa s LEU 100 Ca 0.44 2.50 0.07 0.00 0.06 0.00 0.00 54.13 57.20 2jqa s LEU 100 Cb -0.24 -3.66 0.32 0.00 -0.56 0.00 0.00 46.19 42.06 2jqa s LEU 100 CO 0.30 -0.38 1.01 0.35 -1.06 0.00 0.00 176.35 176.57 2jqa n THR 101 N 0.93 -0.05 -2.73 5.48 -2.24 -1.26 -1.41 114.28 113.00 2jqa n THR 101 Ca -0.00 -2.28 -0.42 0.00 -2.27 0.00 0.00 64.05 59.07 2jqa n THR 101 Cb 0.43 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 2jqa n THR 101 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jqa s LEU 102 N -2.24 4.24 -0.06 3.22 2.01 -0.41 -4.75 118.68 120.68 2jqa s LEU 102 Ca 0.27 -1.81 0.05 0.00 0.01 0.00 0.00 54.13 52.65 2jqa s LEU 102 Cb 0.30 -2.49 -0.02 0.00 0.01 0.00 0.00 46.19 43.99 2jqa s LEU 102 CO -0.06 -1.27 -0.21 0.00 1.01 0.00 0.00 176.35 175.81 2jqa s GLN 103 N 3.83 2.61 0.00 1.70 0.00 0.10 -1.31 119.66 126.60 2jqa s GLN 103 Ca 0.40 -0.83 0.00 0.00 -0.00 0.00 0.00 55.36 54.94 2jqa s GLN 103 Cb -0.02 -2.27 0.00 0.00 0.00 0.00 0.00 33.01 30.72 2jqa s GLN 103 CO -0.09 0.44 0.12 -2.13 0.00 0.00 0.00 175.29 173.63 2jqa n ARG 104 N 2.82 0.23 -0.00 9.60 0.63 -1.23 -0.87 116.66 127.84 2jqa n ARG 104 Ca -0.17 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.59 2jqa n ARG 104 Cb 0.52 -1.12 -0.11 0.00 0.45 0.00 0.00 32.46 32.19 2jqa n ARG 104 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2jqa h ASP 105 N 0.78 0.44 0.00 6.15 1.82 -1.97 -3.45 116.42 120.19 2jqa h ASP 105 Ca 0.00 -0.79 0.00 0.00 -0.39 0.00 0.00 57.03 55.85 2jqa h ASP 105 Cb 0.12 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.99 2jqa h ASP 105 CO 0.00 1.17 0.00 0.61 -1.61 0.00 0.00 179.24 179.41 2jqa n GLY 106 N 1.13 0.27 2.72 -0.78 0.00 -0.89 -5.08 105.19 102.55 2jqa n GLY 106 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2jqa n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jqa s ASP 107 N 0.00 3.29 -0.09 1.61 1.11 -0.05 -2.37 116.67 120.17 2jqa s ASP 107 Ca 0.00 -1.09 -0.18 0.00 0.18 0.00 0.00 52.55 51.46 2jqa s ASP 107 Cb 0.00 -0.65 0.04 0.00 1.07 0.00 0.00 42.92 43.38 2jqa s ASP 107 CO 0.00 -0.35 0.43 -1.38 1.18 0.00 0.00 175.17 175.06 2jqa s HIS 108 N 1.81 -0.40 -0.23 4.23 -3.43 0.20 -0.72 115.29 116.75 2jqa s HIS 108 Ca 0.03 0.82 -0.16 0.00 -0.80 0.00 0.00 55.06 54.94 2jqa s HIS 108 Cb -0.17 0.18 -0.03 0.00 -1.43 0.00 0.00 32.58 31.13 2jqa s HIS 108 CO -0.15 -0.36 0.43 0.54 -2.00 0.00 0.00 174.74 173.20 2jqa s VAL 109 N -0.63 5.15 0.11 -5.38 0.11 -1.25 -1.13 120.40 117.38 2jqa s VAL 109 Ca -0.07 0.74 0.04 0.00 -2.93 0.00 0.00 61.98 59.76 2jqa s VAL 109 Cb -0.03 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 31.02 2jqa s VAL 109 CO 0.04 0.18 0.09 -0.32 -3.33 0.00 0.00 175.10 171.76 2jqa s MET 110 N 1.78 2.85 -0.97 1.54 0.00 0.05 -1.10 119.30 123.45 2jqa s MET 110 Ca 0.19 -0.77 -0.04 0.00 0.00 0.00 0.00 55.69 55.08 2jqa s MET 110 Cb -0.15 -2.68 0.25 0.00 0.00 0.00 0.00 34.83 32.25 2jqa s MET 110 CO 0.09 0.54 0.95 1.28 0.00 0.00 0.00 175.02 177.87 2jqa n LEU 111 N 0.20 4.78 -4.70 4.11 7.99 0.28 -0.77 117.00 128.89 2jqa n LEU 111 Ca -0.09 -5.13 -0.42 0.00 -0.01 0.00 0.00 56.01 50.36 2jqa n LEU 111 Cb 0.53 -1.21 -0.03 0.00 -0.11 0.00 0.00 43.42 42.60 2jqa n LEU 111 CO 0.43 1.53 0.82 -0.32 -1.51 0.00 0.00 177.39 178.34 2jqa s MET 112 N -1.53 4.44 -0.08 3.23 -2.45 0.21 -3.67 119.30 119.46 2jqa s MET 112 Ca 0.30 1.53 -0.00 0.00 -1.25 0.00 0.00 55.69 56.26 2jqa s MET 112 Cb -0.06 -3.50 -0.00 0.00 1.25 0.00 0.00 34.83 32.52 2jqa s MET 112 CO -0.09 -0.27 0.07 0.41 1.05 0.00 0.00 175.02 176.19 2jqa n GLY 113 N 3.13 0.49 3.66 2.11 0.00 -1.24 -0.79 105.19 112.53 2jqa n GLY 113 Ca 0.09 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2jqa n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqa s LEU 114 N -2.52 1.69 0.00 0.99 2.96 -0.89 -1.35 118.68 119.56 2jqa s LEU 114 Ca 0.01 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 2jqa s LEU 114 Cb -0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.12 2jqa s LEU 114 CO 0.05 -3.18 0.00 2.29 -1.32 0.00 0.00 176.35 174.19 2jqa n LYS 115 N -4.23 1.76 -3.70 1.98 2.85 -1.26 -4.94 118.16 110.62 2jqa n LYS 115 Ca 0.05 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.17 2jqa n LYS 115 Cb 0.56 -0.19 -0.15 0.00 -0.65 0.00 0.00 35.03 34.61 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2jqa s ARG 116 N -0.21 0.09 0.63 -1.58 3.52 -1.26 -5.17 118.95 114.96 2jqa s ARG 116 Ca 0.00 0.51 -0.12 0.00 -0.13 0.00 0.00 55.73 55.99 2jqa s ARG 116 Cb 0.00 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 2jqa s ARG 116 CO 0.00 -0.24 1.04 -1.25 -0.81 0.00 0.00 175.30 174.04 2jqa s PRO 117 N 1.77 3.41 0.53 5.12 0.04 -1.26 -4.96 135.00 139.65 2jqa s PRO 117 Ca -0.03 0.88 0.06 0.00 0.04 0.00 0.00 61.00 61.95 2jqa s PRO 117 Cb -0.12 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.40 2jqa s PRO 117 CO -0.06 -0.72 0.39 -0.51 0.04 0.00 0.00 177.00 176.14 2jqa s LEU 118 N -5.10 2.77 0.22 -3.56 1.43 -1.26 -5.09 118.68 108.09 2jqa s LEU 118 Ca 0.57 -1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 2jqa s LEU 118 Cb -0.12 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2jqa s LEU 118 CO 0.50 -1.05 0.30 -1.59 0.23 0.00 0.00 176.35 174.74 2jqa s LYS 119 N -4.25 1.35 0.03 1.70 -2.85 -1.26 -4.53 119.74 109.93 2jqa s LYS 119 Ca 0.35 -1.41 0.15 0.00 -1.00 0.00 0.00 55.97 54.06 2jqa s LYS 119 Cb -0.02 0.37 0.64 0.00 -2.06 0.00 0.00 37.83 36.76 2jqa s LYS 119 CO 0.22 -0.50 1.47 1.55 0.10 0.00 0.00 175.35 178.19 2jqa n VAL 120 N -0.31 1.02 -0.08 1.79 3.14 -1.26 -1.51 118.33 121.11 2jqa n VAL 120 Ca -0.01 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 2jqa n VAL 120 Cb 0.64 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jqa n GLY 121 N -0.07 -0.78 3.90 7.55 0.00 -1.24 -4.28 105.19 110.28 2jqa n GLY 121 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2jqa n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqa s GLU 122 N -0.18 3.65 0.12 1.61 2.12 -0.57 -4.88 118.70 120.56 2jqa s GLU 122 Ca 0.00 0.08 -0.13 0.00 0.36 0.00 0.00 54.97 55.28 2jqa s GLU 122 Cb 0.00 -2.58 -0.07 0.00 0.26 0.00 0.00 34.13 31.74 2jqa s GLU 122 CO 0.00 0.14 0.50 0.95 -0.54 0.00 0.00 175.26 176.31 2jqa s THR 123 N -2.19 4.93 0.29 -1.70 -4.23 -1.26 -0.64 115.64 110.84 2jqa s THR 123 Ca 0.45 0.72 0.12 0.00 -1.18 0.00 0.00 61.69 61.80 2jqa s THR 123 Cb -0.11 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 2jqa s THR 123 CO 0.31 0.27 -0.17 0.54 -0.54 0.00 0.00 174.62 175.03 2jqa s VAL 124 N -1.43 2.53 -0.32 2.29 0.11 0.52 -4.88 120.40 119.22 2jqa s VAL 124 Ca 0.36 -2.35 -0.14 0.00 -2.93 0.00 0.00 61.98 56.92 2jqa s VAL 124 Cb -0.15 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 2jqa s VAL 124 CO 0.19 -0.38 0.30 0.20 -3.33 0.00 0.00 175.10 172.07 2jqa s ASN 125 N -3.53 6.12 -0.03 3.54 -0.87 -1.26 -2.23 114.94 116.68 2jqa s ASN 125 Ca 0.30 -0.18 0.05 0.00 -1.57 0.00 0.00 52.86 51.46 2jqa s ASN 125 Cb -0.04 -2.17 -0.03 0.00 -0.02 0.00 0.00 41.25 38.99 2jqa s ASN 125 CO 0.16 -0.24 -0.17 -0.51 -2.57 0.00 0.00 177.10 173.77 2jqa s ILE 126 N 1.89 2.83 -0.60 0.60 2.07 -0.87 -4.34 121.20 122.78 2jqa s ILE 126 Ca 0.10 -0.88 -0.09 0.00 -1.41 0.00 0.00 60.65 58.37 2jqa s ILE 126 Cb -0.17 -2.10 0.16 0.00 0.13 0.00 0.00 42.46 40.48 2jqa s ILE 126 CO 0.11 0.54 0.48 -0.89 -1.91 0.00 0.00 174.94 173.27 2jqa s THR 127 N -0.75 4.43 0.06 4.00 2.01 0.39 -0.08 115.64 125.70 2jqa s THR 127 Ca 0.12 -2.28 -0.14 0.00 0.31 0.00 0.00 61.69 59.70 2jqa s THR 127 Cb -0.10 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 2jqa s THR 127 CO 0.01 -0.87 0.47 -0.22 -0.69 0.00 0.00 174.62 173.32 2jqa s LEU 128 N 0.67 4.43 -0.10 4.42 2.96 -0.64 -1.05 118.68 129.37 2jqa s LEU 128 Ca 0.12 1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 54.92 2jqa s LEU 128 Cb -0.21 -2.87 0.03 0.00 0.50 0.00 0.00 46.19 43.64 2jqa s LEU 128 CO -0.03 0.24 0.31 -0.54 -1.32 0.00 0.00 176.35 175.00 2jqa s LYS 129 N -1.45 0.40 0.90 1.98 1.02 -1.21 -0.89 119.74 120.49 2jqa s LYS 129 Ca 0.30 0.35 -0.13 0.00 0.02 0.00 0.00 55.97 56.50 2jqa s LYS 129 Cb -0.16 0.19 0.14 0.00 -0.52 0.00 0.00 37.83 37.48 2jqa s LYS 129 CO 0.17 -0.06 1.20 0.00 -0.92 0.00 0.00 175.35 175.74 2jqa s ALA 130 N -0.03 2.21 0.49 5.17 0.00 -1.26 -0.25 121.76 128.09 2jqa s ALA 130 Ca -0.02 -0.77 0.15 0.00 0.00 0.00 0.00 51.96 51.32 2jqa s ALA 130 Cb -0.03 -2.93 1.16 0.00 0.00 0.00 0.00 23.12 21.33 2jqa s ALA 130 CO 0.01 -2.13 2.09 0.00 0.00 0.00 0.00 175.76 175.72 2jqa h THR 131 N -1.40 0.97 -0.12 0.00 1.03 -1.97 -0.94 112.91 110.47 2jqa h THR 131 Ca -0.47 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 2jqa h THR 131 Cb 1.30 0.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 2jqa h THR 131 CO 0.56 0.03 0.00 0.47 -0.01 0.00 0.00 175.52 176.58 2jqa n ASP 132 N -4.49 1.40 -2.65 0.00 8.00 -1.26 -4.89 116.55 112.66 2jqa n ASP 132 Ca 0.02 -2.10 -0.18 0.00 0.71 0.00 0.00 54.79 53.24 2jqa n ASP 132 Cb 0.19 -0.34 0.05 0.00 -0.02 0.00 0.00 41.12 40.99 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqa n GLY 133 N 0.39 -0.21 0.10 0.44 0.00 -0.36 -4.93 105.19 100.61 2jqa n GLY 133 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2jqa n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jqa h ARG 134 N -1.65 0.00 -5.99 1.61 1.12 -1.90 -3.44 114.38 104.13 2jqa h ARG 134 Ca -0.42 0.00 -0.54 0.00 -1.11 0.00 0.00 59.98 57.90 2jqa h ARG 134 Cb 1.28 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 31.18 2jqa h ARG 134 CO 0.43 0.76 -0.42 0.95 -3.11 0.00 0.00 179.97 178.58 2jqa s THR 135 N -2.83 2.31 0.00 0.20 -4.23 -1.26 -4.89 115.64 104.94 2jqa s THR 135 Ca 0.02 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2jqa s THR 135 Cb 0.09 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2jqa s THR 135 CO 0.78 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.86 2jqa n LEU 136 N -1.44 0.00 -4.52 4.79 -0.00 -0.07 -4.26 117.00 111.51 2jqa n LEU 136 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.56 2jqa n LEU 136 Cb 0.64 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.00 2jqa n LEU 136 CO 0.43 0.00 1.88 -3.20 -0.00 0.00 0.00 177.39 176.50 2jqa n ASN 137 N 0.00 2.45 -4.46 1.45 5.15 -1.26 -1.61 115.26 116.98 2jqa n ASN 137 Ca 0.00 0.18 -0.32 0.00 -0.60 0.00 0.00 54.58 53.84 2jqa n ASN 137 Cb 0.00 -1.40 -0.13 0.00 -0.53 0.00 0.00 39.78 37.72 2jqa n ASN 137 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jqa s VAL 138 N 8.52 2.90 0.15 3.44 1.01 0.88 -4.97 120.40 132.33 2jqa s VAL 138 Ca 1.06 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 2jqa s VAL 138 Cb -0.60 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 2jqa s VAL 138 CO 0.41 0.53 1.49 0.00 0.00 0.00 0.00 175.10 177.53 2jqa s ALA 139 N -0.77 3.69 0.23 5.51 0.00 -1.26 -2.04 121.76 127.12 2jqa s ALA 139 Ca 0.12 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 2jqa s ALA 139 Cb -0.11 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2jqa s ALA 139 CO 0.02 -0.71 0.38 0.00 0.00 0.00 0.00 175.76 175.44 2jqa s ALA 140 N 1.04 0.11 0.18 0.00 0.00 -0.95 -4.93 121.76 117.22 2jqa s ALA 140 Ca 0.67 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.64 2jqa s ALA 140 Cb -0.41 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2jqa s ALA 140 CO 0.32 -0.77 -0.16 0.99 0.00 0.00 0.00 175.76 176.14 2jqa s THR 141 N -4.05 1.74 0.05 0.00 2.01 -0.80 -0.36 115.64 114.23 2jqa s THR 141 Ca 0.26 -2.07 0.09 0.00 0.31 0.00 0.00 61.69 60.27 2jqa s THR 141 Cb 0.02 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 2jqa s THR 141 CO 0.09 -0.48 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.60 2jqa s VAL 142 N -2.57 2.01 0.00 3.82 1.01 0.19 -0.88 120.40 123.97 2jqa s VAL 142 Ca 0.19 -1.34 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 2jqa s VAL 142 Cb -0.03 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 2jqa s VAL 142 CO 0.07 0.32 0.11 -0.75 0.00 0.00 0.00 175.10 174.84 2jqa s LYS 143 N -1.23 0.44 0.26 2.72 2.20 -0.33 -3.65 119.74 120.15 2jqa s LYS 143 Ca 0.11 -0.41 -0.31 0.00 -0.36 0.00 0.00 55.97 55.00 2jqa s LYS 143 Cb -0.10 0.18 -0.11 0.00 -1.51 0.00 0.00 37.83 36.29 2jqa s LYS 143 CO 0.02 -0.10 1.60 -1.59 -0.36 0.00 0.00 175.35 174.92 2jqa s LYS 144 N -1.34 4.15 0.11 4.03 -2.85 -1.26 -0.36 119.74 122.22 2jqa s LYS 144 Ca -0.14 2.53 -0.31 0.00 -1.00 0.00 0.00 55.97 57.04 2jqa s LYS 144 Cb -0.08 -3.06 -0.09 0.00 -2.06 0.00 0.00 37.83 32.54 2jqa s LYS 144 CO 0.01 -0.63 1.59 1.21 0.10 0.00 0.00 175.35 177.64 2jqa s ASN 145 N 0.69 6.61 -1.34 0.03 3.84 -0.18 -4.69 114.94 119.91 2jqa s ASN 145 Ca 0.66 2.53 -0.08 0.00 0.21 0.00 0.00 52.86 56.17 2jqa s ASN 145 Cb -0.47 -2.58 -0.07 0.00 -0.55 0.00 0.00 41.25 37.59 2jqa s ASN 145 CO 0.42 -0.84 2.93 -0.38 -2.79 0.00 0.00 177.10 176.44 2jqa n ILE 146 N 4.34 4.32 0.00 -5.21 2.08 -1.26 -3.17 119.36 120.46 2jqa n ILE 146 Ca 0.15 -2.80 0.00 0.00 0.56 0.00 0.00 62.75 60.65 2jqa n ILE 146 Cb 0.40 -2.41 0.00 0.00 -0.75 0.00 0.00 39.64 36.88 2jqa n ILE 146 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2jqa n GLU 147 N 3.00 0.00 0.00 0.38 4.07 -1.26 -5.11 120.64 121.72 2jqa n GLU 147 Ca 0.71 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.81 2jqa n GLU 147 Cb 0.33 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jqa n GLY 148 N -0.47 1.55 0.64 8.31 0.00 -1.19 -5.28 105.19 108.75 2jqa n GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jqa n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86