#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 3.11 3.23 3.03 0.00 -1.26 -5.15 105.19 108.16 2jqa n GLY 2 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2jqa n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jqa s HIS 3 N -2.88 0.57 0.20 1.61 4.02 -1.26 -5.18 115.29 112.37 2jqa s HIS 3 Ca 0.00 -0.96 0.10 0.00 1.02 0.00 0.00 55.06 55.23 2jqa s HIS 3 Cb 0.00 -0.25 -0.04 0.00 -1.02 0.00 0.00 32.58 31.27 2jqa s HIS 3 CO 0.00 -0.60 -0.21 -0.08 1.02 0.00 0.00 174.74 174.87 2jqa s THR 4 N -3.99 2.18 -0.18 1.30 -1.32 -1.26 -5.14 115.64 107.23 2jqa s THR 4 Ca 0.18 -2.07 -0.00 0.00 -1.21 0.00 0.00 61.69 58.59 2jqa s THR 4 Cb 0.05 -2.06 0.05 0.00 -1.51 0.00 0.00 72.50 69.03 2jqa s THR 4 CO -0.01 -0.25 -0.05 -0.32 -2.21 0.00 0.00 174.62 171.79 2jqa s MET 5 N -2.89 1.43 0.94 7.08 -2.45 -1.26 -5.16 119.30 117.00 2jqa s MET 5 Ca 0.21 -0.59 -0.14 0.00 -1.25 0.00 0.00 55.69 53.92 2jqa s MET 5 Cb -0.06 -2.12 0.21 0.00 1.25 0.00 0.00 34.83 34.11 2jqa s MET 5 CO 0.10 -0.47 1.29 -1.25 1.05 0.00 0.00 175.02 175.74 2jqa s PRO 6 N 1.60 0.62 0.32 4.11 0.04 -1.26 -5.14 135.00 135.30 2jqa s PRO 6 Ca -0.00 -0.62 0.02 0.00 0.04 0.00 0.00 61.00 60.43 2jqa s PRO 6 Cb -0.16 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2jqa s PRO 6 CO -0.08 -2.37 0.35 0.00 0.04 0.00 0.00 177.00 174.94 2jqa s ALA 7 N -3.81 1.29 -0.02 8.56 0.00 -1.26 -5.20 121.76 121.32 2jqa s ALA 7 Ca 0.74 -1.78 -0.28 0.00 0.00 0.00 0.00 51.96 50.65 2jqa s ALA 7 Cb -0.03 1.33 0.06 0.00 0.00 0.00 0.00 23.12 24.48 2jqa s ALA 7 CO 0.52 -0.71 0.62 -1.58 0.00 0.00 0.00 175.76 174.61 2jqa s HIS 8 N -3.38 -0.58 -0.21 0.00 2.46 -1.26 -5.18 115.29 107.13 2jqa s HIS 8 Ca 0.36 0.92 -0.12 0.00 0.47 0.00 0.00 55.06 56.70 2jqa s HIS 8 Cb 0.02 0.39 0.07 0.00 -0.13 0.00 0.00 32.58 32.92 2jqa s HIS 8 CO 0.22 -0.61 0.50 -0.08 -2.47 0.00 0.00 174.74 172.30 2jqa s THR 9 N -1.53 -0.02 0.36 0.89 -1.32 -1.26 -5.18 115.64 107.58 2jqa s THR 9 Ca -0.10 0.06 -0.05 0.00 -1.21 0.00 0.00 61.69 60.40 2jqa s THR 9 Cb -0.01 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 2jqa s THR 9 CO 0.06 0.03 0.64 -2.16 -2.21 0.00 0.00 174.62 170.98 2jqa s PRO 10 N 1.45 3.61 0.30 7.08 0.04 -1.26 -5.09 135.00 141.14 2jqa s PRO 10 Ca -0.10 0.06 -0.28 0.00 0.04 0.00 0.00 61.00 60.72 2jqa s PRO 10 Cb -0.07 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 2jqa s PRO 10 CO -0.15 0.07 1.08 -1.25 0.04 0.00 0.00 177.00 176.79 2jqa s PRO 11 N -4.00 4.56 -0.13 0.56 0.04 -1.26 -5.06 135.00 129.71 2jqa s PRO 11 Ca 0.45 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 2jqa s PRO 11 Cb -0.10 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.41 2jqa s PRO 11 CO 0.34 0.16 -0.01 0.00 0.04 0.00 0.00 177.00 177.54 2jqa s ALA 12 N -1.26 1.04 -0.03 8.56 0.00 -1.26 -5.14 121.76 123.68 2jqa s ALA 12 Ca 0.47 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 2jqa s ALA 12 Cb -0.30 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2jqa s ALA 12 CO 0.38 -0.73 0.14 1.14 0.00 0.00 0.00 175.76 176.68 2jqa s GLN 13 N 1.83 0.31 0.06 0.00 0.00 -1.26 -5.17 119.66 115.42 2jqa s GLN 13 Ca 0.02 -0.09 -0.03 0.00 -0.00 0.00 0.00 55.36 55.27 2jqa s GLN 13 Cb -0.14 0.14 -0.03 0.00 0.00 0.00 0.00 33.01 32.97 2jqa s GLN 13 CO -0.07 -0.06 0.03 -0.08 0.00 0.00 0.00 175.29 175.11 2jqa s THR 14 N -0.61 0.19 -0.30 3.63 -1.32 -1.26 -5.16 115.64 110.81 2jqa s THR 14 Ca -0.07 -1.55 -0.05 0.00 -1.21 0.00 0.00 61.69 58.81 2jqa s THR 14 Cb -0.04 -1.35 0.19 0.00 -1.51 0.00 0.00 72.50 69.78 2jqa s THR 14 CO 0.01 -0.86 0.82 0.00 -2.21 0.00 0.00 174.62 172.38 2jqa s ALA 15 N -3.65 -2.94 0.51 11.08 0.00 -1.26 -5.18 121.76 120.32 2jqa s ALA 15 Ca 0.04 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2jqa s ALA 15 Cb 0.05 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.75 2jqa s ALA 15 CO -0.09 -1.57 0.74 -1.25 0.00 0.00 0.00 175.76 173.59 2jqa s PRO 16 N 2.90 2.79 -0.02 0.00 0.04 -1.26 -5.14 135.00 134.31 2jqa s PRO 16 Ca 0.12 -0.61 -0.18 0.00 0.04 0.00 0.00 61.00 60.37 2jqa s PRO 16 Cb -0.11 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.96 2jqa s PRO 16 CO -0.19 -0.52 0.39 0.00 0.04 0.00 0.00 177.00 176.73 2jqa s ALA 17 N -2.68 -1.00 -0.27 8.56 0.00 -1.26 -5.17 121.76 119.93 2jqa s ALA 17 Ca 0.53 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.69 2jqa s ALA 17 Cb -0.10 0.09 0.18 0.00 0.00 0.00 0.00 23.12 23.28 2jqa s ALA 17 CO 0.38 -0.30 1.33 0.00 0.00 0.00 0.00 175.76 177.17 2jqa s ALA 18 N -1.42 -2.12 -0.02 0.00 0.00 -1.26 -5.19 121.76 111.76 2jqa s ALA 18 Ca -0.12 1.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 2jqa s ALA 18 Cb -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2jqa s ALA 18 CO 0.05 -0.35 0.06 -0.65 0.00 0.00 0.00 175.76 174.87 2jqa s GLN 19 N -1.40 0.13 0.22 0.00 -0.21 -1.26 -5.18 119.66 111.96 2jqa s GLN 19 Ca 0.09 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.46 2jqa s GLN 19 Cb -0.01 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 34.02 2jqa s GLN 19 CO -0.06 -0.02 0.14 0.21 -2.12 0.00 0.00 175.29 173.44 2jqa s LYS 20 N -0.21 1.28 0.30 2.91 2.20 -1.26 -5.19 119.74 119.77 2jqa s LYS 20 Ca -0.03 -1.68 -0.10 0.00 -0.36 0.00 0.00 55.97 53.80 2jqa s LYS 20 Cb -0.02 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 2jqa s LYS 20 CO 0.00 -0.41 0.54 0.00 -0.36 0.00 0.00 175.35 175.13 2jqa s ALA 21 N -4.05 -0.06 0.21 3.13 0.00 -1.26 -5.20 121.76 114.54 2jqa s ALA 21 Ca 0.39 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.33 2jqa s ALA 21 Cb 0.07 1.02 -0.00 0.00 0.00 0.00 0.00 23.12 24.20 2jqa s ALA 21 CO 0.14 -0.87 0.04 0.41 0.00 0.00 0.00 175.76 175.48 2jqa n GLY 22 N -0.47 3.78 3.09 0.00 0.00 -1.26 -5.19 105.19 105.14 2jqa n GLY 22 Ca -0.02 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 2jqa n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa n ALA 23 N -2.14 -1.19 -3.85 4.61 0.00 -1.26 -5.21 120.51 111.46 2jqa n ALA 23 Ca -0.09 -1.15 -0.06 0.00 0.00 0.00 0.00 53.44 52.15 2jqa n ALA 23 Cb 0.30 0.92 0.03 0.00 0.00 0.00 0.00 19.45 20.69 2jqa n ALA 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jqa s GLN 24 N -2.23 1.79 -0.02 0.00 -0.21 -1.26 -5.18 119.66 112.55 2jqa s GLN 24 Ca 0.16 -1.17 0.06 0.00 0.02 0.00 0.00 55.36 54.43 2jqa s GLN 24 Cb -0.03 0.49 -0.01 0.00 1.00 0.00 0.00 33.01 34.46 2jqa s GLN 24 CO 0.12 -0.84 -0.20 0.00 -2.12 0.00 0.00 175.29 172.25 2jqa s ALA 25 N -2.08 1.66 0.15 6.09 0.00 -1.26 -5.16 121.76 121.16 2jqa s ALA 25 Ca 0.20 -0.83 0.10 0.00 0.00 0.00 0.00 51.96 51.43 2jqa s ALA 25 Cb -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2jqa s ALA 25 CO 0.09 0.38 -0.22 -0.51 0.00 0.00 0.00 175.76 175.50 2jqa s LEU 26 N -0.34 2.53 -0.97 0.00 1.43 -1.26 -5.03 118.68 115.03 2jqa s LEU 26 Ca 0.05 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.25 2jqa s LEU 26 Cb -0.09 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.69 2jqa s LEU 26 CO 0.00 0.15 2.05 -0.81 0.23 0.00 0.00 176.35 177.98 2jqa n PRO 27 N 0.58 1.96 -3.80 1.29 -0.04 -1.26 -4.80 135.00 128.92 2jqa n PRO 27 Ca -0.15 -1.98 -0.37 0.00 -0.04 0.00 0.00 63.50 60.97 2jqa n PRO 27 Cb 0.54 -2.94 -0.13 0.00 -0.04 0.00 0.00 33.50 30.94 2jqa n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jqa s VAL 28 N 4.29 3.48 -0.03 0.52 1.01 -1.26 -4.52 120.40 123.89 2jqa s VAL 28 Ca 0.53 -1.30 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2jqa s VAL 28 Cb 0.14 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.61 2jqa s VAL 28 CO 0.05 -0.21 1.05 0.41 0.00 0.00 0.00 175.10 176.40 2jqa n THR 29 N 4.73 0.37 -3.66 3.92 -1.04 -1.26 -5.03 114.28 112.30 2jqa n THR 29 Ca -0.12 -0.57 -0.06 0.00 -2.04 0.00 0.00 64.05 61.26 2jqa n THR 29 Cb 0.44 0.42 -0.08 0.00 -1.82 0.00 0.00 70.33 69.29 2jqa n THR 29 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jqa s VAL 30 N -0.56 -0.51 0.00 12.58 1.01 -1.26 -5.00 120.40 126.65 2jqa s VAL 30 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2jqa s VAL 30 Cb 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2jqa s VAL 30 CO -0.02 0.03 0.00 1.67 0.00 0.00 0.00 175.10 176.78 2jqa n GLN 31 N 5.00 0.00 -0.02 2.72 -0.06 -0.93 -3.73 117.38 120.35 2jqa n GLN 31 Ca -0.14 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 54.90 2jqa n GLN 31 Cb 0.52 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.75 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jqa n GLY 32 N 0.00 -0.02 3.24 1.69 0.00 -1.26 -5.03 105.19 103.81 2jqa n GLY 32 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 0.48 -2.64 -2.41 4.61 0.00 -1.26 -3.22 120.51 116.07 2jqa n ALA 33 Ca 0.06 0.60 -0.38 0.00 0.00 0.00 0.00 53.44 53.72 2jqa n ALA 33 Cb 0.25 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 16.96 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 -2.16 4.90 0.06 0.00 2.01 -0.34 -1.66 115.64 118.45 2jqa s THR 34 Ca 0.27 1.02 0.05 0.00 0.31 0.00 0.00 61.69 63.33 2jqa s THR 34 Cb -0.05 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2jqa s THR 34 CO 0.83 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.58 2jqa s VAL 35 N -1.04 3.73 -0.49 3.82 1.01 0.12 -0.79 120.40 126.75 2jqa s VAL 35 Ca 0.26 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 2jqa s VAL 35 Cb -0.18 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.51 2jqa s VAL 35 CO 0.16 0.21 1.17 0.00 0.00 0.00 0.00 175.10 176.64 2jqa s ALA 36 N -1.18 3.11 0.21 5.51 0.00 0.07 -2.69 121.76 126.79 2jqa s ALA 36 Ca 0.22 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 2jqa s ALA 36 Cb -0.11 -3.93 -0.16 0.00 0.00 0.00 0.00 23.12 18.92 2jqa s ALA 36 CO 0.13 -2.35 0.72 0.00 0.00 0.00 0.00 175.76 174.27 2jqa n ALA 37 N 8.04 -2.14 -3.25 0.00 0.00 -0.44 -4.58 120.51 118.14 2jqa n ALA 37 Ca 0.12 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 2jqa n ALA 37 Cb 0.49 -1.75 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 2jqa n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jqa s VAL 38 N -0.88 -0.00 0.81 0.00 -7.23 -1.08 -4.55 120.40 107.46 2jqa s VAL 38 Ca 0.65 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.71 2jqa s VAL 38 Cb -0.89 -0.50 0.08 0.00 0.56 0.00 0.00 36.38 35.62 2jqa s VAL 38 CO 0.57 0.00 1.12 -2.16 -0.31 0.00 0.00 175.10 174.32 2jqa s PRO 39 N 0.19 1.99 0.05 4.82 0.04 -1.26 -3.46 135.00 137.38 2jqa s PRO 39 Ca -0.00 0.43 0.06 0.00 0.04 0.00 0.00 61.00 61.52 2jqa s PRO 39 Cb -0.03 -1.93 0.28 0.00 0.04 0.00 0.00 34.50 32.87 2jqa s PRO 39 CO 0.00 -1.64 1.18 -0.35 0.04 0.00 0.00 177.00 176.24 2jqa n PRO 40 N -3.41 0.03 0.00 0.56 -0.04 -1.26 -1.21 135.00 129.67 2jqa n PRO 40 Ca 0.07 0.48 0.15 0.00 -0.04 0.00 0.00 63.50 64.16 2jqa n PRO 40 Cb 0.58 -1.58 0.79 0.00 -0.04 0.00 0.00 33.50 33.26 2jqa n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jqa n SER 41 N -1.63 0.06 -4.00 3.54 2.88 -1.26 -4.85 113.62 108.35 2jqa n SER 41 Ca 0.00 -0.42 -0.19 0.00 -1.33 0.00 0.00 58.87 56.94 2jqa n SER 41 Cb 0.03 -0.19 -0.15 0.00 -0.75 0.00 0.00 64.21 63.16 2jqa n SER 41 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2jqa s ILE 42 N -2.41 0.66 -0.08 2.46 -1.09 -0.35 -5.07 121.20 115.32 2jqa s ILE 42 Ca 0.34 -0.33 0.18 0.00 -2.23 0.00 0.00 60.65 58.60 2jqa s ILE 42 Cb 0.21 -0.57 0.37 0.00 -1.58 0.00 0.00 42.46 40.88 2jqa s ILE 42 CO 0.44 0.20 1.16 -2.11 -1.23 0.00 0.00 174.94 173.40 2jqa n ARG 43 N 3.04 0.59 -4.48 2.79 1.85 -1.26 -4.63 116.66 114.56 2jqa n ARG 43 Ca -0.15 -2.34 -0.20 0.00 -1.00 0.00 0.00 57.85 54.16 2jqa n ARG 43 Cb 0.56 -0.67 -0.15 0.00 -1.05 0.00 0.00 32.46 31.15 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 -2.34 1.31 0.24 2.89 1.11 -1.26 -0.37 116.67 118.25 2jqa s ASP 44 Ca 0.31 -0.21 -0.13 0.00 0.18 0.00 0.00 52.55 52.71 2jqa s ASP 44 Cb 0.33 -0.14 0.05 0.00 1.07 0.00 0.00 42.92 44.23 2jqa s ASP 44 CO -0.10 0.13 0.66 1.07 1.18 0.00 0.00 175.17 178.11 2jqa n THR 45 N 2.78 0.00 -4.49 -1.27 5.66 -1.11 -4.94 114.28 110.90 2jqa n THR 45 Ca -0.14 -0.63 -0.21 0.00 -3.05 0.00 0.00 64.05 60.03 2jqa n THR 45 Cb 0.56 0.68 -0.15 0.00 -1.55 0.00 0.00 70.33 69.87 2jqa n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jqa s ALA 46 N -1.80 0.98 -0.04 1.79 0.00 -1.26 -0.05 121.76 121.38 2jqa s ALA 46 Ca 0.14 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2jqa s ALA 46 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2jqa s ALA 46 CO 0.07 0.20 -0.16 0.00 0.00 0.00 0.00 175.76 175.87 2jqa s ALA 47 N -0.03 2.61 0.14 0.00 0.00 -0.22 -0.75 121.76 123.50 2jqa s ALA 47 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2jqa s ALA 47 Cb -0.07 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.18 2jqa s ALA 47 CO 0.00 0.55 0.42 1.52 0.00 0.00 0.00 175.76 178.26 2jqa s TYR 48 N -0.73 -0.21 0.01 0.00 -0.85 0.03 -2.62 117.35 112.98 2jqa s TYR 48 Ca 0.12 -0.10 -0.05 0.00 -0.52 0.00 0.00 57.07 56.51 2jqa s TYR 48 Cb -0.11 0.29 0.02 0.00 0.38 0.00 0.00 41.96 42.54 2jqa s TYR 48 CO 0.01 -0.73 0.25 0.00 -1.52 0.00 0.00 175.55 173.55 2jqa n MET 49 N -0.25 0.07 -3.67 -3.49 0.00 -0.54 -1.20 117.12 108.04 2jqa n MET 49 Ca -0.15 -0.21 -0.10 0.00 0.00 0.00 0.00 57.70 57.23 2jqa n MET 49 Cb 0.64 0.32 -0.04 0.00 0.00 0.00 0.00 33.22 34.14 2jqa n MET 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2jqa s THR 50 N -2.25 0.04 -0.11 3.17 2.01 -1.26 -0.44 115.64 116.79 2jqa s THR 50 Ca 0.06 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 2jqa s THR 50 Cb -0.00 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.17 2jqa s THR 50 CO 0.00 -0.18 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.97 2jqa s LEU 51 N -2.84 0.95 0.09 4.42 1.43 0.33 -2.20 118.68 120.86 2jqa s LEU 51 Ca 0.06 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.63 2jqa s LEU 51 Cb 0.00 -0.63 -0.07 0.00 0.03 0.00 0.00 46.19 45.52 2jqa s LEU 51 CO -0.07 -0.19 0.66 0.28 0.23 0.00 0.00 176.35 177.26 2jqa s THR 52 N 1.84 4.65 -0.20 5.49 -1.32 -1.24 -3.51 115.64 121.35 2jqa s THR 52 Ca 0.04 1.42 0.01 0.00 -1.21 0.00 0.00 61.69 61.96 2jqa s THR 52 Cb -0.13 -4.01 0.03 0.00 -1.51 0.00 0.00 72.50 66.89 2jqa s THR 52 CO -0.07 0.50 -0.15 0.20 -2.21 0.00 0.00 174.62 172.89 2jqa s ASN 53 N -0.84 3.45 -0.54 8.08 0.01 -1.26 -4.76 114.94 119.08 2jqa s ASN 53 Ca 0.33 -0.86 0.06 0.00 -0.71 0.00 0.00 52.86 51.67 2jqa s ASN 53 Cb -0.21 -1.42 0.36 0.00 0.41 0.00 0.00 41.25 40.39 2jqa s ASN 53 CO 0.21 -0.08 0.96 0.29 -1.51 0.00 0.00 177.10 176.98 2jqa n LYS 54 N 4.60 3.09 0.00 -0.60 5.02 -1.26 -4.74 118.16 124.28 2jqa n LYS 54 Ca -0.18 -4.68 0.00 0.00 -2.02 0.00 0.00 58.31 51.43 2jqa n LYS 54 Cb 0.47 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jqa n SER 55 N -0.25 0.00 -3.34 4.39 7.64 -1.26 -4.88 113.62 115.92 2jqa n SER 55 Ca 0.32 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.89 2jqa n SER 55 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 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 5.03 -4.25 6.43 9.92 -1.26 -4.87 116.55 127.54 2jqa n ASP 56 Ca 0.00 -2.48 -0.36 0.00 -0.53 0.00 0.00 54.79 51.42 2jqa n ASP 56 Cb 0.00 -1.23 -0.13 0.00 -0.64 0.00 0.00 41.12 39.12 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jqa s GLN 57 N 3.50 2.85 0.28 -1.24 1.03 -1.26 -4.99 119.66 119.84 2jqa s GLN 57 Ca 0.49 -0.99 0.05 0.00 0.04 0.00 0.00 55.36 54.95 2jqa s GLN 57 Cb 0.13 -3.18 -0.02 0.00 0.03 0.00 0.00 33.01 29.97 2jqa s GLN 57 CO -0.01 -0.46 0.41 -1.25 -2.54 0.00 0.00 175.29 171.44 2jqa s PRO 58 N 1.38 3.32 -0.01 9.60 0.04 -1.26 -4.71 135.00 143.36 2jqa s PRO 58 Ca 0.00 -0.82 -0.18 0.00 0.04 0.00 0.00 61.00 60.04 2jqa s PRO 58 Cb -0.17 -2.85 0.03 0.00 0.04 0.00 0.00 34.50 31.55 2jqa s PRO 58 CO -0.01 0.28 0.39 -1.50 0.04 0.00 0.00 177.00 176.19 2jqa s ILE 59 N -2.07 0.05 -0.26 0.56 2.07 -1.21 -4.98 121.20 115.35 2jqa s ILE 59 Ca 0.38 -0.39 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2jqa s ILE 59 Cb -0.09 -0.73 0.06 0.00 0.13 0.00 0.00 42.46 41.82 2jqa s ILE 59 CO 0.30 -0.22 -0.09 -1.59 -1.91 0.00 0.00 174.94 171.43 2jqa s LYS 60 N -1.46 2.30 0.08 3.50 0.00 -1.26 -0.99 119.74 121.90 2jqa s LYS 60 Ca -0.12 -1.31 -0.26 0.00 0.00 0.00 0.00 55.97 54.28 2jqa s LYS 60 Cb -0.04 -2.93 0.08 0.00 0.00 0.00 0.00 37.83 34.94 2jqa s LYS 60 CO 0.04 -0.56 0.66 -1.17 0.00 0.00 0.00 175.35 174.33 2jqa s LEU 61 N 1.13 -0.57 -0.05 2.77 1.98 -1.21 -4.50 118.68 118.24 2jqa s LEU 61 Ca -0.08 0.21 0.15 0.00 -2.89 0.00 0.00 54.13 51.52 2jqa s LEU 61 Cb -0.20 2.50 -0.22 0.00 0.66 0.00 0.00 46.19 48.94 2jqa s LEU 61 CO -0.05 -0.82 0.56 1.33 -1.89 0.00 0.00 176.35 175.48 2jqa n VAL 62 N 0.02 1.40 0.00 1.68 0.24 -1.26 -1.37 118.33 119.04 2jqa n VAL 62 Ca -0.16 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 2jqa n VAL 62 Cb 0.62 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jqa n GLY 63 N 1.55 0.20 3.31 7.63 0.00 -1.26 -2.72 105.19 113.90 2jqa n GLY 63 Ca -0.18 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.00 -0.65 0.11 4.61 0.00 -1.26 -3.71 121.76 118.86 2jqa s ALA 64 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2jqa s ALA 64 Cb 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 2jqa s ALA 64 CO 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 175.76 175.18 2jqa n ALA 65 N -0.19 0.17 -3.42 0.00 0.00 -0.21 -4.89 120.51 111.97 2jqa n ALA 65 Ca -0.14 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 2jqa n ALA 65 Cb 0.63 0.40 -0.12 0.00 0.00 0.00 0.00 19.45 20.36 2jqa n ALA 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2jqa s THR 66 N -2.06 -0.02 -2.00 0.00 -1.32 -1.26 -0.92 115.64 108.06 2jqa s THR 66 Ca 0.07 0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.88 2jqa s THR 66 Cb 0.00 -0.37 0.74 0.00 -1.51 0.00 0.00 72.50 71.37 2jqa s THR 66 CO 0.05 0.03 1.93 -0.81 -2.21 0.00 0.00 174.62 173.60 2jqa n PRO 67 N 3.58 0.85 0.00 7.08 -0.04 -1.26 -3.30 135.00 141.91 2jqa n PRO 67 Ca -0.19 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2jqa n PRO 67 Cb 0.56 -1.48 0.66 0.00 -0.04 0.00 0.00 33.50 33.19 2jqa n PRO 67 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jqa n LEU 68 N -0.98 0.00 -4.99 1.53 7.99 -1.26 -4.83 117.00 114.46 2jqa n LEU 68 Ca 0.20 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 56.01 2jqa n LEU 68 Cb 0.09 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2jqa n LEU 68 CO 0.15 0.00 0.06 0.00 -1.51 0.00 0.00 177.39 176.09 2jqa s ALA 69 N -2.00 4.23 -0.07 -1.18 0.00 -1.21 -4.12 121.76 117.41 2jqa s ALA 69 Ca 0.33 -1.45 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 2jqa s ALA 69 Cb 0.15 -1.68 -0.29 0.00 0.00 0.00 0.00 23.12 21.30 2jqa s ALA 69 CO 0.26 -0.03 0.73 1.15 0.00 0.00 0.00 175.76 177.86 2jqa h THR 70 N 0.89 1.28 -3.20 0.00 2.02 -0.74 -3.47 112.91 109.69 2jqa h THR 70 Ca -0.46 -2.47 -0.45 0.00 0.77 0.00 0.00 66.41 63.80 2jqa h THR 70 Cb 1.26 2.96 -0.40 0.00 -1.74 0.00 0.00 68.15 70.23 2jqa h THR 70 CO 0.53 0.71 -0.75 -0.44 0.37 0.00 0.00 175.52 175.93 2jqa s SER 71 N -7.01 2.03 0.32 4.18 0.01 -0.32 -5.05 113.70 107.86 2jqa s SER 71 Ca -0.17 -0.39 -0.28 0.00 1.31 0.00 0.00 55.95 56.42 2jqa s SER 71 Cb 0.03 -0.34 -0.10 0.00 0.21 0.00 0.00 66.02 65.82 2jqa s SER 71 CO 0.80 -0.28 1.19 -2.16 0.41 0.00 0.00 173.24 173.19 2jqa s PRO 72 N 2.05 4.42 -0.20 12.44 0.04 -1.26 -1.03 135.00 151.46 2jqa s PRO 72 Ca 0.03 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2jqa s PRO 72 Cb -0.15 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.42 2jqa s PRO 72 CO -0.07 -0.04 0.06 1.41 0.04 0.00 0.00 177.00 178.40 2jqa s MET 73 N -1.75 0.49 -0.44 4.56 1.75 0.14 -4.93 119.30 119.12 2jqa s MET 73 Ca 0.49 -0.39 -0.11 0.00 -1.25 0.00 0.00 55.69 54.43 2jqa s MET 73 Cb -0.35 -1.99 0.09 0.00 2.84 0.00 0.00 34.83 35.43 2jqa s MET 73 CO 0.45 -0.69 0.31 -0.48 -0.65 0.00 0.00 175.02 173.96 2jqa s LEU 74 N 1.92 5.40 0.05 4.11 -0.00 -1.26 -0.74 118.68 128.16 2jqa s LEU 74 Ca 0.01 -1.57 0.06 0.00 -0.00 0.00 0.00 54.13 52.62 2jqa s LEU 74 Cb -0.17 -2.04 -0.02 0.00 -0.00 0.00 0.00 46.19 43.96 2jqa s LEU 74 CO -0.11 -0.61 -0.16 -0.04 -0.00 0.00 0.00 176.35 175.44 2jqa s MET 75 N 1.46 1.02 0.13 1.48 -1.94 -0.78 -0.63 119.30 120.04 2jqa s MET 75 Ca 0.04 -0.85 -0.09 0.00 -1.71 0.00 0.00 55.69 53.08 2jqa s MET 75 Cb -0.24 -1.07 -0.00 0.00 2.01 0.00 0.00 34.83 35.52 2jqa s MET 75 CO 0.02 0.26 0.24 -0.08 -0.01 0.00 0.00 175.02 175.46 2jqa s THR 76 N -0.91 0.10 0.00 2.05 -1.32 -0.96 -0.88 115.64 113.72 2jqa s THR 76 Ca 0.03 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 2jqa s THR 76 Cb -0.08 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 2jqa s THR 76 CO 0.02 -0.47 0.00 0.41 -2.21 0.00 0.00 174.62 172.37 2jqa n THR 77 N -0.14 0.00 -4.97 5.08 -1.04 -0.10 -3.03 114.28 110.08 2jqa n THR 77 Ca -0.11 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.63 2jqa n THR 77 Cb 0.63 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.98 2jqa n THR 77 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2jqa s THR 78 N 3.16 1.63 0.00 12.58 -4.23 -1.26 -0.54 115.64 126.98 2jqa s THR 78 Ca 0.00 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2jqa s THR 78 Cb 0.00 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.48 2jqa s THR 78 CO 0.00 0.43 0.00 1.41 -0.54 0.00 0.00 174.62 175.92 2jqa n HIS 79 N 2.49 0.00 -1.50 3.99 8.25 -1.26 -4.34 115.22 122.86 2jqa n HIS 79 Ca -0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.30 2jqa n HIS 79 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2jqa n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jqa n SER 80 N 0.00 0.01 -0.96 0.41 2.88 0.11 -4.75 113.62 111.33 2jqa n SER 80 Ca 0.00 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 2jqa n SER 80 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 4.82 1.62 0.00 0.46 0.00 -0.99 -4.06 105.19 107.03 2jqa n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.54 0.69 3.83 -0.02 0.00 -1.25 -4.30 105.19 104.68 2jqa n GLY 82 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.95 0.19 1.61 -2.45 -1.26 -5.04 119.30 115.30 2jqa s MET 83 Ca 0.00 -1.01 -0.23 0.00 -1.25 0.00 0.00 55.69 53.20 2jqa s MET 83 Cb 0.00 -2.59 0.07 0.00 1.25 0.00 0.00 34.83 33.56 2jqa s MET 83 CO 0.00 0.42 0.98 0.00 1.05 0.00 0.00 175.02 177.47 2jqa s ALA 84 N -2.07 -1.55 0.00 4.11 0.00 -1.26 -0.71 121.76 120.28 2jqa s ALA 84 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2jqa s ALA 84 Cb -0.08 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2jqa s ALA 84 CO 0.25 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2jqa n GLY 85 N -0.58 2.86 3.77 0.00 0.00 0.30 -4.98 105.19 106.55 2jqa n GLY 85 Ca -0.05 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 2jqa n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jqa s MET 86 N -1.87 4.23 -0.05 1.61 1.75 -0.85 -4.45 119.30 119.66 2jqa s MET 86 Ca 0.00 2.39 -0.31 0.00 -1.25 0.00 0.00 55.69 56.52 2jqa s MET 86 Cb 0.00 -3.04 0.13 0.00 2.84 0.00 0.00 34.83 34.77 2jqa s MET 86 CO 0.00 -0.39 1.36 -1.59 -0.65 0.00 0.00 175.02 173.75 2jqa s LYS 87 N -1.53 0.22 0.38 4.11 -2.85 -1.17 -4.94 119.74 113.96 2jqa s LYS 87 Ca 0.53 -0.12 -0.12 0.00 -1.00 0.00 0.00 55.97 55.26 2jqa s LYS 87 Cb -0.43 0.08 -0.07 0.00 -2.06 0.00 0.00 37.83 35.34 2jqa s LYS 87 CO 0.54 -0.10 0.76 0.00 0.10 0.00 0.00 175.35 176.65 2jqa s MET 88 N -2.24 3.85 -0.02 1.78 0.00 -1.26 -2.26 119.30 119.15 2jqa s MET 88 Ca 0.15 0.53 -0.01 0.00 0.00 0.00 0.00 55.69 56.36 2jqa s MET 88 Cb 0.06 -2.40 0.01 0.00 0.00 0.00 0.00 34.83 32.49 2jqa s MET 88 CO -0.05 0.03 0.03 0.28 0.00 0.00 0.00 175.02 175.30 2jqa n VAL 89 N -0.99 -5.01 -1.31 5.16 0.31 0.19 -4.90 118.33 111.78 2jqa n VAL 89 Ca 0.03 0.72 -0.18 0.00 -0.01 0.00 0.00 64.34 64.90 2jqa n VAL 89 Cb 0.54 -3.95 0.13 0.00 -0.91 0.00 0.00 33.84 29.64 2jqa n VAL 89 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jqa n PRO 90 N 0.42 -1.28 -4.44 5.55 -0.04 -1.26 -4.81 135.00 129.14 2jqa n PRO 90 Ca -0.05 -1.16 -0.22 0.00 -0.04 0.00 0.00 63.50 62.03 2jqa n PRO 90 Cb 0.07 -0.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 2jqa n PRO 90 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2jqa s TRP 91 N -2.55 2.06 -0.24 0.54 -2.14 -1.22 -4.77 118.94 110.62 2jqa s TRP 91 Ca 0.44 -0.53 0.22 0.00 2.66 0.00 0.00 56.10 58.89 2jqa s TRP 91 Cb -0.02 -1.05 0.49 0.00 -3.10 0.00 0.00 33.47 29.79 2jqa s TRP 91 CO 0.32 0.47 1.14 -0.11 -2.66 0.00 0.00 176.95 176.11 2jqa n LEU 92 N -0.58 1.32 -4.52 -4.66 7.94 -0.47 -4.58 117.00 111.45 2jqa n LEU 92 Ca -0.06 -2.95 -0.42 0.00 -1.11 0.00 0.00 56.01 51.48 2jqa n LEU 92 Cb 0.62 0.42 -0.09 0.00 0.53 0.00 0.00 43.42 44.89 2jqa n LEU 92 CO 0.39 1.04 0.02 -0.89 -1.11 0.00 0.00 177.39 176.83 2jqa s THR 93 N -3.24 5.18 -0.19 1.96 2.01 -0.76 -3.32 115.64 117.27 2jqa s THR 93 Ca 0.26 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 2jqa s THR 93 Cb 0.33 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2jqa s THR 93 CO -0.06 -0.19 0.21 0.27 -0.69 0.00 0.00 174.62 174.16 2jqa s ILE 94 N 1.96 5.35 0.29 1.82 -4.36 -0.17 -4.91 121.20 121.19 2jqa s ILE 94 Ca 0.10 0.35 0.02 0.00 -0.26 0.00 0.00 60.65 60.85 2jqa s ILE 94 Cb -0.17 -3.55 -0.03 0.00 1.25 0.00 0.00 42.46 39.96 2jqa s ILE 94 CO 0.12 0.39 0.46 -2.16 0.24 0.00 0.00 174.94 173.99 2jqa s PRO 95 N 0.60 3.48 0.22 0.37 0.04 -1.26 -3.29 135.00 135.15 2jqa s PRO 95 Ca 0.12 -0.48 -0.30 0.00 0.04 0.00 0.00 61.00 60.37 2jqa s PRO 95 Cb -0.12 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.55 2jqa s PRO 95 CO 0.02 0.28 1.44 0.00 0.04 0.00 0.00 177.00 178.78 2jqa s ALA 96 N -2.13 3.63 0.00 8.56 0.00 -1.26 -3.49 121.76 127.07 2jqa s ALA 96 Ca 0.38 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2jqa s ALA 96 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2jqa s ALA 96 CO 0.33 -0.71 0.00 -2.13 0.00 0.00 0.00 175.76 173.24 2jqa n ARG 97 N 2.75 0.00 0.00 0.00 0.00 -1.26 -4.66 116.66 113.48 2jqa n ARG 97 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.00 2jqa n ARG 97 Cb 0.40 -0.64 0.41 0.00 0.00 0.00 0.00 32.46 32.64 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 0.00 -0.97 2.65 5.14 0.00 -1.24 -4.89 105.19 105.87 2jqa n GLY 98 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2jqa n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jqa n THR 99 N -0.72 -1.97 -1.92 2.61 -1.04 -1.23 -3.48 114.28 106.53 2jqa n THR 99 Ca 0.10 0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.96 2jqa n THR 99 Cb 0.05 -2.39 -0.03 0.00 -1.82 0.00 0.00 70.33 66.14 2jqa n THR 99 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jqa s LEU 100 N -1.12 4.35 -0.20 -4.42 1.98 -1.23 -2.35 118.68 115.69 2jqa s LEU 100 Ca 0.10 2.37 -0.03 0.00 -2.89 0.00 0.00 54.13 53.68 2jqa s LEU 100 Cb -0.01 -3.54 0.06 0.00 0.66 0.00 0.00 46.19 43.36 2jqa s LEU 100 CO 0.22 -0.95 0.03 -0.89 -1.89 0.00 0.00 176.35 172.87 2jqa s THR 101 N 4.00 0.60 -0.44 3.68 2.01 -1.26 -0.51 115.64 123.71 2jqa s THR 101 Ca 0.77 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 2jqa s THR 101 Cb -0.36 -1.09 0.04 0.00 0.01 0.00 0.00 72.50 71.10 2jqa s THR 101 CO 0.33 -0.21 0.41 -0.76 -0.69 0.00 0.00 174.62 173.70 2jqa s LEU 102 N 1.82 5.18 0.06 4.42 1.02 0.41 -4.39 118.68 127.20 2jqa s LEU 102 Ca -0.01 -0.97 0.09 0.00 0.02 0.00 0.00 54.13 53.26 2jqa s LEU 102 Cb -0.17 -2.27 -0.03 0.00 0.02 0.00 0.00 46.19 43.74 2jqa s LEU 102 CO -0.08 -0.60 -0.24 -1.10 0.02 0.00 0.00 176.35 174.34 2jqa s GLN 103 N 1.92 1.58 0.50 1.70 -1.52 0.53 -1.47 119.66 122.90 2jqa s GLN 103 Ca 0.08 -1.09 0.18 0.00 -1.95 0.00 0.00 55.36 52.58 2jqa s GLN 103 Cb -0.20 -1.79 1.24 0.00 -0.22 0.00 0.00 33.01 32.04 2jqa s GLN 103 CO 0.10 0.45 2.06 -0.09 -0.25 0.00 0.00 175.29 177.57 2jqa h ARG 104 N 4.66 0.11 -5.27 2.91 1.12 -1.91 -0.12 114.38 115.88 2jqa h ARG 104 Ca -0.46 -0.01 -0.68 0.00 -1.11 0.00 0.00 59.98 57.73 2jqa h ARG 104 Cb 1.15 -0.02 -0.33 0.00 -0.01 0.00 0.00 29.97 30.76 2jqa h ARG 104 CO 0.43 0.07 -0.86 0.16 -3.11 0.00 0.00 179.97 176.66 2jqa s ASP 105 N -6.60 3.20 0.00 -3.80 1.47 -1.26 -4.79 116.67 104.89 2jqa s ASP 105 Ca -0.06 -0.56 0.00 0.00 1.18 0.00 0.00 52.55 53.12 2jqa s ASP 105 Cb 0.18 -1.45 0.00 0.00 -0.34 0.00 0.00 42.92 41.32 2jqa s ASP 105 CO 0.71 0.12 0.00 0.61 0.68 0.00 0.00 175.17 177.29 2jqa n GLY 106 N 3.79 3.27 3.15 2.12 0.00 -1.13 -4.95 105.19 111.43 2jqa n GLY 106 Ca -0.19 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.45 0.21 1.61 1.01 -0.07 -0.93 116.67 118.05 2jqa s ASP 107 Ca 0.00 0.14 -0.21 0.00 0.71 0.00 0.00 52.55 53.18 2jqa s ASP 107 Cb 0.00 1.32 0.07 0.00 1.01 0.00 0.00 42.92 45.32 2jqa s ASP 107 CO 0.00 -0.08 1.02 -1.38 0.21 0.00 0.00 175.17 174.93 2jqa s HIS 108 N 2.95 0.09 -0.09 4.23 -3.43 -0.06 -0.35 115.29 118.64 2jqa s HIS 108 Ca 0.15 -0.53 0.03 0.00 -0.80 0.00 0.00 55.06 53.91 2jqa s HIS 108 Cb -0.05 0.72 0.01 0.00 -1.43 0.00 0.00 32.58 31.82 2jqa s HIS 108 CO -0.18 -1.00 -0.19 0.14 -2.00 0.00 0.00 174.74 171.51 2jqa s VAL 109 N -2.10 1.67 0.10 -5.38 -7.23 -1.08 -1.86 120.40 104.53 2jqa s VAL 109 Ca 0.22 -0.79 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 2jqa s VAL 109 Cb -0.03 -1.47 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 2jqa s VAL 109 CO 0.06 0.47 0.49 -0.04 -0.31 0.00 0.00 175.10 175.77 2jqa s MET 110 N 0.53 3.94 -0.91 4.82 -1.94 0.08 -1.06 119.30 124.76 2jqa s MET 110 Ca -0.16 0.42 -0.05 0.00 -1.71 0.00 0.00 55.69 54.20 2jqa s MET 110 Cb -0.17 -3.03 0.23 0.00 2.01 0.00 0.00 34.83 33.87 2jqa s MET 110 CO 0.06 0.55 0.82 -1.17 -0.01 0.00 0.00 175.02 175.27 2jqa s LEU 111 N -1.70 5.84 -0.45 -0.03 0.20 0.92 -0.68 118.68 122.79 2jqa s LEU 111 Ca 0.33 -3.48 -0.29 0.00 0.69 0.00 0.00 54.13 51.38 2jqa s LEU 111 Cb -0.16 -2.01 0.03 0.00 -0.43 0.00 0.00 46.19 43.62 2jqa s LEU 111 CO 0.18 -0.27 1.11 -0.32 -0.29 0.00 0.00 176.35 176.75 2jqa s MET 112 N -1.02 3.77 0.00 1.98 -2.45 -0.19 -2.76 119.30 118.63 2jqa s MET 112 Ca 0.26 0.62 0.00 0.00 -1.25 0.00 0.00 55.69 55.33 2jqa s MET 112 Cb -0.10 -3.88 0.00 0.00 1.25 0.00 0.00 34.83 32.10 2jqa s MET 112 CO -0.10 -1.28 0.00 0.41 1.05 0.00 0.00 175.02 175.11 2jqa n GLY 113 N 4.67 -1.14 3.84 2.11 0.00 -1.01 -1.18 105.19 112.48 2jqa n GLY 113 Ca 0.11 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 2jqa n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jqa n LEU 114 N -0.29 0.00 0.23 0.99 7.94 0.50 -0.28 117.00 126.10 2jqa n LEU 114 Ca 0.00 -1.54 0.00 0.00 -1.11 0.00 0.00 56.01 53.36 2jqa n LEU 114 Cb 0.00 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 42.99 2jqa n LEU 114 CO 0.00 -1.38 0.00 2.29 -1.11 0.00 0.00 177.39 177.19 2jqa n LYS 115 N -3.66 0.00 -2.75 1.96 2.85 -1.26 -4.85 118.16 110.45 2jqa n LYS 115 Ca 0.17 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 2jqa n LYS 115 Cb 0.58 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.93 2jqa n LYS 115 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2jqa s ARG 116 N -1.99 4.31 0.82 -1.58 1.04 -1.26 -5.04 118.95 115.24 2jqa s ARG 116 Ca 0.00 1.24 -0.12 0.00 -1.04 0.00 0.00 55.73 55.81 2jqa s ARG 116 Cb 0.00 -3.59 0.09 0.00 -2.04 0.00 0.00 34.95 29.41 2jqa s ARG 116 CO 0.00 -0.44 1.14 -1.25 -0.04 0.00 0.00 175.30 174.71 2jqa s PRO 117 N 2.53 1.70 -0.26 3.89 0.04 -1.26 -5.04 135.00 136.60 2jqa s PRO 117 Ca 0.43 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 2jqa s PRO 117 Cb -0.16 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.64 2jqa s PRO 117 CO 0.11 -2.11 0.03 -0.51 0.04 0.00 0.00 177.00 174.56 2jqa s LEU 118 N -5.99 2.15 0.43 -3.56 1.43 -1.22 -5.06 118.68 106.86 2jqa s LEU 118 Ca 0.67 -1.29 -0.21 0.00 -1.03 0.00 0.00 54.13 52.26 2jqa s LEU 118 Cb -0.23 -0.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.98 2jqa s LEU 118 CO 0.53 -0.33 0.98 -0.75 0.23 0.00 0.00 176.35 177.01 2jqa s LYS 119 N 1.59 4.14 0.05 1.70 2.20 -1.26 -2.63 119.74 125.53 2jqa s LYS 119 Ca 0.02 1.22 0.02 0.00 -0.36 0.00 0.00 55.97 56.87 2jqa s LYS 119 Cb -0.18 -2.22 0.18 0.00 -1.51 0.00 0.00 37.83 34.10 2jqa s LYS 119 CO -0.14 -0.11 0.23 1.55 -0.36 0.00 0.00 175.35 176.52 2jqa n VAL 120 N -0.60 -0.06 -1.58 4.02 3.14 -1.26 -0.60 118.33 121.38 2jqa n VAL 120 Ca 0.07 0.31 0.05 0.00 -2.96 0.00 0.00 64.34 61.81 2jqa n VAL 120 Cb 0.53 -0.49 0.07 0.00 -1.06 0.00 0.00 33.84 32.89 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 -1.05 2.56 3.80 7.55 0.00 -1.25 -1.57 105.19 115.22 2jqa n GLY 121 Ca 0.05 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.35 3.46 -0.07 1.61 2.12 0.23 -4.66 118.70 120.04 2jqa s GLU 122 Ca 0.16 1.28 -0.26 0.00 0.36 0.00 0.00 54.97 56.51 2jqa s GLU 122 Cb 0.14 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 32.45 2jqa s GLU 122 CO 0.01 -0.71 0.81 0.99 -0.54 0.00 0.00 175.26 175.83 2jqa s THR 123 N -2.27 4.96 0.08 -1.70 2.01 -1.26 -0.51 115.64 116.95 2jqa s THR 123 Ca 0.65 1.67 0.09 0.00 0.31 0.00 0.00 61.69 64.41 2jqa s THR 123 Cb -0.17 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 2jqa s THR 123 CO 0.31 0.17 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.47 2jqa s VAL 124 N 1.16 2.08 -0.39 3.82 1.01 0.10 -4.95 120.40 123.23 2jqa s VAL 124 Ca 0.42 -1.50 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 2jqa s VAL 124 Cb -0.18 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2jqa s VAL 124 CO 0.20 0.22 0.54 0.20 0.00 0.00 0.00 175.10 176.26 2jqa s ASN 125 N -1.56 6.30 0.02 3.32 -0.87 -1.26 -1.70 114.94 119.19 2jqa s ASN 125 Ca 0.11 -0.23 0.08 0.00 -1.57 0.00 0.00 52.86 51.26 2jqa s ASN 125 Cb -0.10 -2.28 -0.03 0.00 -0.02 0.00 0.00 41.25 38.83 2jqa s ASN 125 CO 0.03 -0.59 -0.24 -0.63 -2.57 0.00 0.00 177.10 173.10 2jqa s ILE 126 N 2.49 2.26 -0.28 0.60 -1.09 -0.99 -4.65 121.20 119.54 2jqa s ILE 126 Ca 0.19 -1.24 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 2jqa s ILE 126 Cb -0.15 -1.86 0.08 0.00 -1.58 0.00 0.00 42.46 38.94 2jqa s ILE 126 CO 0.15 0.44 -0.01 -0.89 -1.23 0.00 0.00 174.94 173.40 2jqa s THR 127 N -0.76 1.70 0.65 2.92 2.01 -0.10 -0.26 115.64 121.81 2jqa s THR 127 Ca 0.12 -1.59 -0.02 0.00 0.31 0.00 0.00 61.69 60.51 2jqa s THR 127 Cb -0.10 -2.07 0.07 0.00 0.01 0.00 0.00 72.50 70.42 2jqa s THR 127 CO 0.01 -0.31 0.92 -1.48 -0.69 0.00 0.00 174.62 173.08 2jqa s LEU 128 N 1.27 3.04 -0.30 4.42 0.05 0.02 -1.05 118.68 126.13 2jqa s LEU 128 Ca 0.00 0.04 -0.06 0.00 0.05 0.00 0.00 54.13 54.16 2jqa s LEU 128 Cb -0.19 -2.68 0.18 0.00 -2.05 0.00 0.00 46.19 41.45 2jqa s LEU 128 CO -0.09 -1.52 0.74 -0.75 -0.55 0.00 0.00 176.35 174.17 2jqa s LYS 129 N -5.04 0.47 0.54 1.48 2.20 -1.24 0.06 119.74 118.20 2jqa s LYS 129 Ca 0.61 0.90 -0.22 0.00 -0.36 0.00 0.00 55.97 56.90 2jqa s LYS 129 Cb -0.09 0.51 -0.05 0.00 -1.51 0.00 0.00 37.83 36.69 2jqa s LYS 129 CO 0.42 -0.43 1.32 0.00 -0.36 0.00 0.00 175.35 176.30 2jqa s ALA 130 N 2.85 2.81 0.48 3.13 0.00 -1.26 -4.09 121.76 125.69 2jqa s ALA 130 Ca 0.11 1.26 0.34 0.00 0.00 0.00 0.00 51.96 53.67 2jqa s ALA 130 Cb -0.13 -3.54 1.48 0.00 0.00 0.00 0.00 23.12 20.93 2jqa s ALA 130 CO -0.18 -1.28 1.68 1.79 0.00 0.00 0.00 175.76 177.77 2jqa h THR 131 N 1.45 0.23 -0.47 0.00 1.35 -1.91 -2.52 112.91 111.04 2jqa h THR 131 Ca -0.51 -0.03 -0.28 0.00 -0.55 0.00 0.00 66.41 65.04 2jqa h THR 131 Cb 1.29 0.13 -0.28 0.00 -1.73 0.00 0.00 68.15 67.56 2jqa h THR 131 CO 0.57 0.02 -0.78 -0.67 -0.25 0.00 0.00 175.52 174.41 2jqa n ASP 132 N -4.39 -0.09 0.00 5.36 2.03 -1.26 -5.08 116.55 113.13 2jqa n ASP 132 Ca 0.34 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 53.15 2jqa n ASP 132 Cb 1.43 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 42.00 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqa n GLY 133 N -0.46 2.19 0.65 0.27 0.00 -0.95 -5.13 105.19 101.76 2jqa n GLY 133 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 2jqa n GLY 133 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jqa n ARG 134 N 0.00 0.00 -0.40 1.61 1.85 -1.26 -4.94 116.66 113.52 2jqa n ARG 134 Ca 0.00 -0.36 0.03 0.00 -1.00 0.00 0.00 57.85 56.52 2jqa n ARG 134 Cb 0.00 0.20 -0.02 0.00 -1.05 0.00 0.00 32.46 31.59 2jqa n ARG 134 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2jqa n THR 135 N 0.00 -0.43 -3.58 8.89 -1.04 -1.26 -5.03 114.28 111.83 2jqa n THR 135 Ca -0.10 0.30 -0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2jqa n THR 135 Cb 0.53 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 2jqa n THR 135 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jqa s LEU 136 N -4.49 -1.09 -0.48 -4.42 0.20 0.11 -4.87 118.68 103.63 2jqa s LEU 136 Ca 0.00 1.43 -0.28 0.00 0.69 0.00 0.00 54.13 55.97 2jqa s LEU 136 Cb 0.00 2.21 -0.00 0.00 -0.43 0.00 0.00 46.19 47.97 2jqa s LEU 136 CO 0.00 -0.21 1.58 0.54 -0.29 0.00 0.00 176.35 177.97 2jqa s ASN 137 N 2.84 5.97 0.03 3.68 4.22 -1.26 -0.80 114.94 129.62 2jqa s ASN 137 Ca -0.04 0.65 0.07 0.00 -2.14 0.00 0.00 52.86 51.41 2jqa s ASN 137 Cb -0.11 -2.54 -0.02 0.00 1.28 0.00 0.00 41.25 39.85 2jqa s ASN 137 CO -0.19 -1.77 -0.22 -0.69 -2.04 0.00 0.00 177.10 172.20 2jqa s VAL 138 N 6.65 1.74 0.30 3.54 1.01 0.64 -5.01 120.40 129.27 2jqa s VAL 138 Ca 0.63 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 2jqa s VAL 138 Cb -0.14 -1.50 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 2jqa s VAL 138 CO 0.28 0.28 1.17 0.00 0.00 0.00 0.00 175.10 176.83 2jqa s ALA 139 N -0.75 3.42 0.15 5.51 0.00 -1.26 -2.35 121.76 126.48 2jqa s ALA 139 Ca 0.08 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2jqa s ALA 139 Cb -0.09 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2jqa s ALA 139 CO 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 175.76 175.47 2jqa s ALA 140 N -1.17 1.08 0.01 0.00 0.00 -0.69 -4.67 121.76 116.32 2jqa s ALA 140 Ca 0.47 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2jqa s ALA 140 Cb -0.34 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 2jqa s ALA 140 CO 0.45 -0.41 -0.02 0.99 0.00 0.00 0.00 175.76 176.77 2jqa s THR 141 N -3.86 0.11 0.51 0.00 2.01 -0.66 0.00 115.64 113.74 2jqa s THR 141 Ca 0.24 -0.35 -0.19 0.00 0.31 0.00 0.00 61.69 61.70 2jqa s THR 141 Cb 0.07 -0.16 -0.08 0.00 0.01 0.00 0.00 72.50 72.35 2jqa s THR 141 CO 0.03 -0.15 1.02 -0.69 -0.69 0.00 0.00 174.62 174.13 2jqa s VAL 142 N -0.51 4.03 -0.45 3.82 1.01 0.34 -0.71 120.40 127.93 2jqa s VAL 142 Ca -0.05 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.14 2jqa s VAL 142 Cb -0.04 -3.51 0.30 0.00 0.00 0.00 0.00 36.38 33.13 2jqa s VAL 142 CO -0.00 -0.40 0.97 1.17 0.00 0.00 0.00 175.10 176.84 2jqa n LYS 143 N -1.27 0.92 0.00 2.72 4.81 -0.83 -3.95 118.16 120.56 2jqa n LYS 143 Ca 0.08 -2.13 0.00 0.00 -0.87 0.00 0.00 58.31 55.39 2jqa n LYS 143 Cb 0.53 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.33 2jqa n LYS 143 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jqa n LYS 144 N 0.79 0.00 -3.96 1.64 4.76 -0.61 -4.95 118.16 115.83 2jqa n LYS 144 Ca 0.10 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.23 2jqa n LYS 144 Cb 0.66 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.81 2jqa n LYS 144 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jqa s ASN 145 N -1.79 6.12 -0.29 4.39 4.22 -1.26 -1.33 114.94 125.00 2jqa s ASN 145 Ca 0.00 0.20 0.20 0.00 -2.14 0.00 0.00 52.86 51.12 2jqa s ASN 145 Cb 0.00 -1.83 0.48 0.00 1.28 0.00 0.00 41.25 41.18 2jqa s ASN 145 CO 0.00 0.19 1.24 -0.38 -2.04 0.00 0.00 177.10 176.11 2jqa n ILE 146 N 0.47 0.86 0.00 0.54 5.41 -1.26 -4.93 119.36 120.44 2jqa n ILE 146 Ca -0.07 -2.32 0.00 0.00 1.00 0.00 0.00 62.75 61.36 2jqa n ILE 146 Cb 0.51 1.19 0.00 0.00 -0.71 0.00 0.00 39.64 40.64 2jqa n ILE 146 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2jqa n GLU 147 N -0.88 0.00 -0.25 0.38 4.07 -1.26 -5.00 120.64 117.70 2jqa n GLU 147 Ca -0.01 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 2jqa n GLU 147 Cb 0.83 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 32.24 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 -1.00 -1.63 0.00 8.31 0.00 -1.26 -5.19 105.19 104.42 2jqa n GLY 148 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2jqa n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36