#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 1.02 3.31 3.03 0.00 -1.26 -5.15 105.19 106.15 2jqa n GLY 2 Ca 0.00 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 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 1.25 1.49 0.48 1.61 4.02 -1.26 -5.18 115.29 117.70 2jqa s HIS 3 Ca 0.00 -1.01 0.05 0.00 1.02 0.00 0.00 55.06 55.12 2jqa s HIS 3 Cb 0.00 -0.87 -0.02 0.00 -1.02 0.00 0.00 32.58 30.67 2jqa s HIS 3 CO 0.00 -0.15 0.16 -0.08 1.02 0.00 0.00 174.74 175.69 2jqa s THR 4 N -3.55 1.71 -0.19 1.30 -1.32 -1.26 -5.16 115.64 107.18 2jqa s THR 4 Ca 0.30 -1.77 -0.01 0.00 -1.21 0.00 0.00 61.69 58.99 2jqa s THR 4 Cb 0.06 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.62 2jqa s THR 4 CO 0.09 0.00 -0.02 -0.32 -2.21 0.00 0.00 174.62 172.16 2jqa s MET 5 N -3.98 1.14 0.71 7.08 -2.45 -1.26 -5.14 119.30 115.41 2jqa s MET 5 Ca 0.27 -0.56 -0.10 0.00 -1.25 0.00 0.00 55.69 54.04 2jqa s MET 5 Cb 0.02 -2.13 0.03 0.00 1.25 0.00 0.00 34.83 34.00 2jqa s MET 5 CO 0.15 -0.54 1.08 -1.25 1.05 0.00 0.00 175.02 175.51 2jqa s PRO 6 N 1.68 2.61 0.31 4.11 0.04 -1.26 -5.12 135.00 137.37 2jqa s PRO 6 Ca -0.01 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.22 2jqa s PRO 6 Cb -0.17 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2jqa s PRO 6 CO -0.07 -1.13 0.48 0.00 0.04 0.00 0.00 177.00 176.32 2jqa s ALA 7 N -3.35 0.37 0.14 8.56 0.00 -1.26 -5.20 121.76 121.03 2jqa s ALA 7 Ca 0.59 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 2jqa s ALA 7 Cb -0.11 1.10 0.01 0.00 0.00 0.00 0.00 23.12 24.13 2jqa s ALA 7 CO 0.50 -0.81 0.24 1.58 0.00 0.00 0.00 175.76 177.27 2jqa n HIS 8 N -0.49 -1.17 -4.13 0.00 -0.00 -1.26 -5.20 115.22 102.97 2jqa n HIS 8 Ca -0.01 -0.81 -0.15 0.00 0.46 0.00 0.00 57.72 57.22 2jqa n HIS 8 Cb 0.62 0.28 -0.13 0.00 -0.12 0.00 0.00 29.99 30.64 2jqa n HIS 8 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 2jqa s THR 9 N -2.62 0.55 0.46 3.57 -1.32 -1.26 -5.15 115.64 109.87 2jqa s THR 9 Ca 0.09 -0.76 -0.23 0.00 -1.21 0.00 0.00 61.69 59.58 2jqa s THR 9 Cb -0.01 -0.55 -0.07 0.00 -1.51 0.00 0.00 72.50 70.35 2jqa s THR 9 CO 0.06 -0.16 1.15 -2.16 -2.21 0.00 0.00 174.62 171.31 2jqa s PRO 10 N -1.00 3.76 0.86 7.08 0.04 -1.26 -5.06 135.00 139.42 2jqa s PRO 10 Ca -0.04 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 2jqa s PRO 10 Cb -0.07 -2.38 0.12 0.00 0.04 0.00 0.00 34.50 32.21 2jqa s PRO 10 CO 0.00 -0.54 1.22 -1.25 0.04 0.00 0.00 177.00 176.47 2jqa s PRO 11 N -2.73 1.52 0.12 0.56 0.04 -1.26 -5.12 135.00 128.13 2jqa s PRO 11 Ca 0.64 -0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.68 2jqa s PRO 11 Cb -0.28 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2jqa s PRO 11 CO 0.33 -1.88 -0.11 0.00 0.04 0.00 0.00 177.00 175.39 2jqa s ALA 12 N -3.66 1.30 -0.29 8.56 0.00 -1.26 -5.15 121.76 121.27 2jqa s ALA 12 Ca 0.66 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 2jqa s ALA 12 Cb -0.09 0.02 0.15 0.00 0.00 0.00 0.00 23.12 23.20 2jqa s ALA 12 CO 0.50 -0.03 1.09 -1.14 0.00 0.00 0.00 175.76 176.18 2jqa s GLN 13 N -3.12 0.33 -0.06 0.00 0.74 -1.26 -5.18 119.66 111.10 2jqa s GLN 13 Ca 0.10 0.49 0.03 0.00 0.05 0.00 0.00 55.36 56.03 2jqa s GLN 13 Cb -0.01 0.11 -0.02 0.00 1.10 0.00 0.00 33.01 34.18 2jqa s GLN 13 CO 0.01 -0.06 -0.15 0.99 -0.55 0.00 0.00 175.29 175.53 2jqa s THR 14 N 0.83 2.97 0.01 -0.34 2.01 -1.26 -5.14 115.64 114.72 2jqa s THR 14 Ca -0.03 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.22 2jqa s THR 14 Cb -0.04 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2jqa s THR 14 CO -0.12 0.58 0.10 0.00 -0.69 0.00 0.00 174.62 174.48 2jqa s ALA 15 N -0.48 3.63 0.88 7.40 0.00 -1.26 -5.13 121.76 126.80 2jqa s ALA 15 Ca 0.06 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 2jqa s ALA 15 Cb -0.12 -1.59 0.14 0.00 0.00 0.00 0.00 23.12 21.55 2jqa s ALA 15 CO 0.02 0.71 1.24 -1.25 0.00 0.00 0.00 175.76 176.48 2jqa s PRO 16 N -1.90 1.30 -0.04 0.00 0.04 -1.26 -5.12 135.00 128.02 2jqa s PRO 16 Ca 0.25 -0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.08 2jqa s PRO 16 Cb -0.12 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2jqa s PRO 16 CO 0.16 -1.99 0.08 0.00 0.04 0.00 0.00 177.00 175.29 2jqa s ALA 17 N -3.71 -0.08 -0.05 8.56 0.00 -1.26 -5.16 121.76 120.06 2jqa s ALA 17 Ca 0.68 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2jqa s ALA 17 Cb -0.07 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2jqa s ALA 17 CO 0.51 -0.13 0.38 0.00 0.00 0.00 0.00 175.76 176.52 2jqa s ALA 18 N 1.12 -0.97 0.00 0.00 0.00 -1.26 -5.15 121.76 115.51 2jqa s ALA 18 Ca -0.09 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2jqa s ALA 18 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2jqa s ALA 18 CO -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.46 2jqa n GLN 19 N 1.58 0.00 -3.57 0.00 -0.00 -1.26 -5.21 117.38 108.91 2jqa n GLN 19 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.71 2jqa n GLN 19 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.76 2jqa n GLN 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2jqa s LYS 20 N -2.00 0.59 -0.27 2.61 2.20 -1.26 -5.15 119.74 116.46 2jqa s LYS 20 Ca 0.00 0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.64 2jqa s LYS 20 Cb 0.00 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2jqa s LYS 20 CO 0.00 -0.19 0.07 0.00 -0.36 0.00 0.00 175.35 174.86 2jqa s ALA 21 N -1.29 3.09 -2.77 3.13 0.00 -1.26 -5.01 121.76 117.66 2jqa s ALA 21 Ca -0.01 -1.27 0.25 0.00 0.00 0.00 0.00 51.96 50.93 2jqa s ALA 21 Cb -0.01 -2.08 0.45 0.00 0.00 0.00 0.00 23.12 21.48 2jqa s ALA 21 CO 0.00 -0.66 1.41 0.41 0.00 0.00 0.00 175.76 176.91 2jqa n GLY 22 N 4.89 0.86 3.86 0.00 0.00 -1.26 -4.97 105.19 108.57 2jqa n GLY 22 Ca -0.16 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.91 3.83 -0.32 4.61 0.00 -1.26 -5.10 121.76 121.61 2jqa s ALA 23 Ca 0.32 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 2jqa s ALA 23 Cb 0.21 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.63 2jqa s ALA 23 CO 0.31 0.75 0.05 -1.14 0.00 0.00 0.00 175.76 175.73 2jqa s GLN 24 N -2.05 2.44 -0.29 0.00 0.74 -1.26 -5.04 119.66 114.18 2jqa s GLN 24 Ca 0.28 -1.30 0.00 0.00 0.05 0.00 0.00 55.36 54.39 2jqa s GLN 24 Cb -0.12 -3.31 0.19 0.00 1.10 0.00 0.00 33.01 30.87 2jqa s GLN 24 CO 0.20 -0.68 0.71 0.00 -0.55 0.00 0.00 175.29 174.96 2jqa s ALA 25 N 1.28 -2.75 -0.05 1.58 0.00 -1.26 -5.15 121.76 115.42 2jqa s ALA 25 Ca -0.03 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 2jqa s ALA 25 Cb -0.20 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.43 2jqa s ALA 25 CO -0.00 -1.77 0.08 -0.51 0.00 0.00 0.00 175.76 173.56 2jqa s LEU 26 N 2.87 0.20 -1.24 0.00 1.43 -1.26 -5.08 118.68 115.59 2jqa s LEU 26 Ca 0.15 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.18 2jqa s LEU 26 Cb -0.09 -0.05 0.06 0.00 0.03 0.00 0.00 46.19 46.13 2jqa s LEU 26 CO -0.24 -0.24 1.70 -2.16 0.23 0.00 0.00 176.35 175.65 2jqa s PRO 27 N 2.07 3.86 -0.02 1.29 0.04 -1.26 -4.91 135.00 136.07 2jqa s PRO 27 Ca 0.03 -1.81 0.01 0.00 0.04 0.00 0.00 61.00 59.28 2jqa s PRO 27 Cb -0.12 -5.50 0.01 0.00 0.04 0.00 0.00 34.50 28.93 2jqa s PRO 27 CO -0.04 -2.32 -0.04 0.08 0.04 0.00 0.00 177.00 174.73 2jqa s VAL 28 N 4.63 0.37 0.77 -0.36 1.01 -1.26 -4.68 120.40 120.89 2jqa s VAL 28 Ca 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2jqa s VAL 28 Cb 0.03 -0.37 0.15 0.00 0.00 0.00 0.00 36.38 36.19 2jqa s VAL 28 CO 0.05 0.14 1.06 0.42 0.00 0.00 0.00 175.10 176.77 2jqa s THR 29 N 0.37 2.06 -0.03 3.92 -4.23 -1.26 -5.13 115.64 111.34 2jqa s THR 29 Ca -0.04 -0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2jqa s THR 29 Cb -0.08 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.26 2jqa s THR 29 CO -0.00 0.00 0.07 0.68 -0.54 0.00 0.00 174.62 174.83 2jqa s VAL 30 N -3.27 -0.03 -2.21 2.29 -7.23 -1.26 -4.83 120.40 103.86 2jqa s VAL 30 Ca 0.68 0.12 0.19 0.00 -1.81 0.00 0.00 61.98 61.17 2jqa s VAL 30 Cb -0.04 -0.13 0.44 0.00 0.56 0.00 0.00 36.38 37.21 2jqa s VAL 30 CO 0.46 0.05 1.51 0.00 -0.31 0.00 0.00 175.10 176.82 2jqa n GLN 31 N 3.75 1.66 0.00 4.82 10.64 -1.21 -4.84 117.38 132.19 2jqa n GLN 31 Ca -0.21 -0.99 0.00 0.00 -1.83 0.00 0.00 57.00 53.96 2jqa n GLN 31 Cb 0.54 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.56 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 1.08 0.62 2.30 2.61 0.00 -1.26 -4.01 105.19 106.53 2jqa n GLY 32 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.36 -3.03 4.61 0.00 -1.26 -4.40 120.51 113.06 2jqa n ALA 33 Ca 0.00 0.57 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 2jqa n ALA 33 Cb 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.99 2.23 0.14 0.00 2.01 -1.22 -1.45 115.64 116.36 2jqa s THR 34 Ca -0.04 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 2jqa s THR 34 Cb 0.00 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 2jqa s THR 34 CO 0.53 0.56 0.37 -0.69 -0.69 0.00 0.00 174.62 174.70 2jqa s VAL 35 N 0.16 5.18 -0.53 3.82 1.01 -0.84 -1.59 120.40 127.61 2jqa s VAL 35 Ca -0.12 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 2jqa s VAL 35 Cb -0.16 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2jqa s VAL 35 CO 0.07 0.03 1.82 0.00 0.00 0.00 0.00 175.10 177.02 2jqa s ALA 36 N -1.66 2.39 0.55 5.51 0.00 0.12 -1.94 121.76 126.72 2jqa s ALA 36 Ca 0.41 -0.39 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 2jqa s ALA 36 Cb -0.12 -4.21 -0.06 0.00 0.00 0.00 0.00 23.12 18.73 2jqa s ALA 36 CO 0.25 -3.51 1.14 0.00 0.00 0.00 0.00 175.76 173.64 2jqa n ALA 37 N 11.96 0.75 -3.30 0.00 0.00 -0.48 -4.71 120.51 124.74 2jqa n ALA 37 Ca 0.21 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 2jqa n ALA 37 Cb 0.51 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.38 0.03 0.84 0.00 -7.23 -1.24 -4.65 120.40 106.76 2jqa s VAL 38 Ca 0.72 -0.65 -0.11 0.00 -1.81 0.00 0.00 61.98 60.13 2jqa s VAL 38 Cb -0.44 -1.46 0.10 0.00 0.56 0.00 0.00 36.38 35.14 2jqa s VAL 38 CO 0.49 -0.12 1.09 -2.16 -0.31 0.00 0.00 175.10 174.09 2jqa s PRO 39 N -3.85 1.70 0.85 4.82 0.04 -1.26 -4.76 135.00 132.53 2jqa s PRO 39 Ca 0.07 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 2jqa s PRO 39 Cb -0.01 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.79 2jqa s PRO 39 CO -0.05 -2.00 1.10 -1.25 0.04 0.00 0.00 177.00 174.84 2jqa s PRO 40 N -4.90 1.68 0.00 0.56 0.04 -1.26 -4.17 135.00 126.96 2jqa s PRO 40 Ca 0.63 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2jqa s PRO 40 Cb -0.18 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jqa s PRO 40 CO 0.57 -1.90 0.00 0.45 0.04 0.00 0.00 177.00 176.15 2jqa n SER 41 N -3.63 0.00 -3.68 6.66 2.88 -1.26 -5.05 113.62 109.55 2jqa n SER 41 Ca 0.07 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.31 2jqa n SER 41 Cb 0.56 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.27 2jqa n SER 41 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2jqa s ILE 42 N -3.03 1.54 0.00 2.46 -5.25 -1.26 -5.06 121.20 110.60 2jqa s ILE 42 Ca 0.00 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.66 2jqa s ILE 42 Cb 0.00 -2.49 0.00 0.00 2.95 0.00 0.00 42.46 42.92 2jqa s ILE 42 CO 0.00 0.00 0.00 0.54 -1.79 0.00 0.00 174.94 173.69 2jqa n ARG 43 N -4.84 2.66 -4.44 0.37 3.00 -1.26 -4.83 116.66 107.32 2jqa n ARG 43 Ca 0.14 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.65 2jqa n ARG 43 Cb 0.60 -0.22 -0.12 0.00 0.00 0.00 0.00 32.46 32.72 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jqa s ASP 44 N 0.00 4.76 0.00 0.55 1.11 -1.26 -0.42 116.67 121.41 2jqa s ASP 44 Ca 0.00 -0.12 -0.05 0.00 0.18 0.00 0.00 52.55 52.55 2jqa s ASP 44 Cb 0.00 -1.72 -0.00 0.00 1.07 0.00 0.00 42.92 42.27 2jqa s ASP 44 CO 0.00 0.19 0.10 0.42 1.18 0.00 0.00 175.17 177.06 2jqa s THR 45 N 0.22 0.08 0.28 -1.27 -4.23 -0.92 -5.00 115.64 104.79 2jqa s THR 45 Ca -0.03 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 2jqa s THR 45 Cb -0.14 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 2jqa s THR 45 CO 0.03 -0.36 0.46 0.00 -0.54 0.00 0.00 174.62 174.21 2jqa s ALA 46 N -1.22 3.79 0.15 3.99 0.00 -1.26 -0.34 121.76 126.85 2jqa s ALA 46 Ca -0.13 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 50.96 2jqa s ALA 46 Cb -0.07 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2jqa s ALA 46 CO 0.01 0.18 -0.17 0.00 0.00 0.00 0.00 175.76 175.78 2jqa s ALA 47 N -2.10 1.82 -0.15 0.00 0.00 -0.75 -0.70 121.76 119.88 2jqa s ALA 47 Ca 0.38 -1.41 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 2jqa s ALA 47 Cb -0.10 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 22.93 2jqa s ALA 47 CO 0.32 0.20 0.34 -0.47 0.00 0.00 0.00 175.76 176.15 2jqa s TYR 48 N -2.01 -0.51 -0.21 0.00 6.14 -0.62 -3.84 117.35 116.29 2jqa s TYR 48 Ca 0.13 1.11 -0.11 0.00 0.64 0.00 0.00 57.07 58.84 2jqa s TYR 48 Cb -0.06 0.17 0.07 0.00 0.42 0.00 0.00 41.96 42.56 2jqa s TYR 48 CO 0.05 -0.32 0.50 -1.64 0.64 0.00 0.00 175.55 174.78 2jqa s MET 49 N 1.59 0.49 -0.08 4.97 -1.94 -1.00 -3.41 119.30 119.91 2jqa s MET 49 Ca -0.08 0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 54.84 2jqa s MET 49 Cb -0.10 0.06 0.03 0.00 2.01 0.00 0.00 34.83 36.82 2jqa s MET 49 CO -0.11 -0.16 -0.03 0.99 -0.01 0.00 0.00 175.02 175.70 2jqa s THR 50 N 1.56 0.61 0.16 2.05 2.01 -1.26 -0.61 115.64 120.17 2jqa s THR 50 Ca -0.09 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.88 2jqa s THR 50 Cb -0.08 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 2jqa s THR 50 CO -0.15 0.29 0.01 -0.22 -0.69 0.00 0.00 174.62 173.86 2jqa s LEU 51 N 1.75 2.09 -0.16 4.42 1.98 -0.75 -3.33 118.68 124.67 2jqa s LEU 51 Ca 0.03 -1.17 -0.14 0.00 -2.89 0.00 0.00 54.13 49.96 2jqa s LEU 51 Cb -0.13 -0.01 0.05 0.00 0.66 0.00 0.00 46.19 46.76 2jqa s LEU 51 CO -0.05 -0.59 0.43 0.28 -1.89 0.00 0.00 176.35 174.53 2jqa s THR 52 N -3.71 -0.00 -0.16 3.68 -1.32 -1.26 -4.59 115.64 108.28 2jqa s THR 52 Ca 0.23 0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.65 2jqa s THR 52 Cb 0.06 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.40 2jqa s THR 52 CO 0.03 0.01 0.10 0.54 -2.21 0.00 0.00 174.62 173.09 2jqa s ASN 53 N 0.44 5.97 -0.91 8.08 4.22 -1.26 -4.03 114.94 127.45 2jqa s ASN 53 Ca -0.02 0.23 -0.01 0.00 -2.14 0.00 0.00 52.86 50.93 2jqa s ASN 53 Cb -0.04 -1.98 0.34 0.00 1.28 0.00 0.00 41.25 40.85 2jqa s ASN 53 CO -0.02 0.26 1.86 1.17 -2.04 0.00 0.00 177.10 178.33 2jqa n LYS 54 N 2.99 4.10 -3.14 3.55 4.81 -1.26 -4.91 118.16 124.30 2jqa n LYS 54 Ca -0.17 -4.17 0.00 0.00 -0.87 0.00 0.00 58.31 53.10 2jqa n LYS 54 Cb 0.53 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.22 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 -0.29 0.00 -0.40 3.14 7.64 -1.26 -5.06 113.62 117.38 2jqa n SER 55 Ca 0.49 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.45 2jqa n SER 55 Cb 0.27 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.63 2jqa n SER 55 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2jqa n ASP 56 N 0.42 2.88 -4.76 6.43 5.75 -1.26 -4.60 116.55 121.41 2jqa n ASP 56 Ca 0.00 -2.79 -0.37 0.00 -0.01 0.00 0.00 54.79 51.63 2jqa n ASP 56 Cb 0.00 -0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 39.64 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jqa s GLN 57 N -2.38 4.09 -1.42 0.11 -2.07 -1.26 -4.29 119.66 112.43 2jqa s GLN 57 Ca 0.30 0.09 -0.15 0.00 -1.82 0.00 0.00 55.36 53.79 2jqa s GLN 57 Cb 0.24 -3.36 0.05 0.00 -1.09 0.00 0.00 33.01 28.85 2jqa s GLN 57 CO 0.06 0.38 2.12 -0.35 -1.32 0.00 0.00 175.29 176.18 2jqa n PRO 58 N 3.11 2.94 -3.59 9.60 -0.04 -1.26 -4.83 135.00 140.94 2jqa n PRO 58 Ca -0.13 -2.77 -0.41 0.00 -0.04 0.00 0.00 63.50 60.15 2jqa n PRO 58 Cb 0.52 -3.32 -0.10 0.00 -0.04 0.00 0.00 33.50 30.56 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 3.30 4.48 -0.01 0.52 1.01 -1.26 -4.71 121.20 124.52 2jqa s ILE 59 Ca 0.48 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2jqa s ILE 59 Cb 0.12 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2jqa s ILE 59 CO -0.05 -0.37 0.00 1.17 0.00 0.00 0.00 174.94 175.69 2jqa n LYS 60 N 4.98 0.00 -1.52 2.79 3.00 -1.26 -4.47 118.16 121.68 2jqa n LYS 60 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 2jqa n LYS 60 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.48 2jqa n LYS 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jqa n LEU 61 N 0.00 0.00 0.22 3.14 4.77 -1.26 -4.57 117.00 119.30 2jqa n LEU 61 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2jqa n LEU 61 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2jqa n LEU 61 CO 0.00 0.00 0.51 0.58 -1.33 0.00 0.00 177.39 177.15 2jqa h VAL 62 N 0.76 0.50 0.00 4.08 2.07 -1.07 0.11 116.25 122.71 2jqa h VAL 62 Ca 0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jqa h VAL 62 Cb 0.00 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2jqa h VAL 62 CO 0.00 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.28 2jqa n GLY 63 N -0.46 1.34 3.81 2.17 0.00 -1.26 -0.75 105.19 110.04 2jqa n GLY 63 Ca -0.10 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.98 3.65 0.00 4.61 0.00 -1.26 -3.30 121.76 123.48 2jqa s ALA 64 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2jqa s ALA 64 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.67 2jqa s ALA 64 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 175.76 176.14 2jqa n ALA 65 N 2.21 0.00 -3.65 0.00 0.00 -0.09 -4.96 120.51 114.02 2jqa n ALA 65 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 2jqa n ALA 65 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.67 0.00 -1.96 0.00 -1.32 -1.26 -1.51 115.64 107.92 2jqa s THR 66 Ca 0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 2jqa s THR 66 Cb 0.00 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.59 2jqa s THR 66 CO 0.00 0.00 1.68 -0.81 -2.21 0.00 0.00 174.62 173.28 2jqa n PRO 67 N 3.16 0.66 0.24 7.08 -0.04 -1.26 -2.71 135.00 142.12 2jqa n PRO 67 Ca -0.17 0.01 0.16 0.00 -0.04 0.00 0.00 63.50 63.46 2jqa n PRO 67 Cb 0.57 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.30 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 0.00 0.00 -9.60 1.53 -0.00 -1.95 -3.41 115.31 101.88 2jqa h LEU 68 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.23 2jqa h LEU 68 Cb 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.60 2jqa h LEU 68 CO 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 178.44 178.00 2jqa s ALA 69 N -3.70 3.83 0.39 1.53 0.00 -1.10 -3.84 121.76 118.88 2jqa s ALA 69 Ca -0.01 -0.59 0.38 0.00 0.00 0.00 0.00 51.96 51.74 2jqa s ALA 69 Cb 0.09 -2.05 2.03 0.00 0.00 0.00 0.00 23.12 23.19 2jqa s ALA 69 CO 0.39 0.55 2.16 1.15 0.00 0.00 0.00 175.76 180.00 2jqa h THR 70 N 4.03 0.00 -2.37 0.00 2.02 -0.85 -3.37 112.91 112.36 2jqa h THR 70 Ca -0.53 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 2jqa h THR 70 Cb 1.22 0.89 -0.28 0.00 -1.74 0.00 0.00 68.15 68.23 2jqa h THR 70 CO 0.61 0.00 -0.41 -0.44 0.37 0.00 0.00 175.52 175.64 2jqa s SER 71 N -4.86 -0.07 -0.48 4.18 0.01 0.05 -5.00 113.70 107.52 2jqa s SER 71 Ca -0.04 0.75 -0.29 0.00 1.31 0.00 0.00 55.95 57.68 2jqa s SER 71 Cb 0.11 1.23 0.03 0.00 0.21 0.00 0.00 66.02 67.60 2jqa s SER 71 CO 0.36 -0.25 1.15 -2.16 0.41 0.00 0.00 173.24 172.75 2jqa s PRO 72 N 2.58 3.71 0.01 12.44 0.04 -1.26 -1.09 135.00 151.43 2jqa s PRO 72 Ca 0.03 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 2jqa s PRO 72 Cb -0.13 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 2jqa s PRO 72 CO -0.13 -1.41 0.15 1.41 0.04 0.00 0.00 177.00 177.07 2jqa s MET 73 N 4.50 3.30 -0.07 4.56 1.75 -0.34 -5.00 119.30 128.01 2jqa s MET 73 Ca 0.48 -0.41 -0.02 0.00 -1.25 0.00 0.00 55.69 54.49 2jqa s MET 73 Cb -0.07 -3.00 0.03 0.00 2.84 0.00 0.00 34.83 34.63 2jqa s MET 73 CO 0.32 0.65 0.04 -0.51 -0.65 0.00 0.00 175.02 174.87 2jqa s LEU 74 N -2.01 0.34 0.09 4.11 1.02 -1.26 -0.59 118.68 120.38 2jqa s LEU 74 Ca 0.28 -0.07 0.08 0.00 0.02 0.00 0.00 54.13 54.44 2jqa s LEU 74 Cb -0.12 -0.26 -0.03 0.00 0.02 0.00 0.00 46.19 45.79 2jqa s LEU 74 CO 0.19 -0.24 -0.22 -0.04 0.02 0.00 0.00 176.35 176.06 2jqa s MET 75 N 2.09 1.23 -0.25 1.70 -1.94 -0.46 -0.25 119.30 121.43 2jqa s MET 75 Ca 0.05 -1.15 -0.18 0.00 -1.71 0.00 0.00 55.69 52.70 2jqa s MET 75 Cb -0.13 -1.50 0.07 0.00 2.01 0.00 0.00 34.83 35.28 2jqa s MET 75 CO -0.04 0.36 0.65 -0.08 -0.01 0.00 0.00 175.02 175.89 2jqa s THR 76 N -1.07 -0.00 0.00 2.05 -1.32 -1.22 -0.55 115.64 113.53 2jqa s THR 76 Ca 0.08 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2jqa s THR 76 Cb -0.10 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2jqa s THR 76 CO 0.04 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.86 2jqa n THR 77 N 3.64 0.00 -1.99 5.08 -1.04 0.57 -1.90 114.28 118.64 2jqa n THR 77 Ca -0.18 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.58 2jqa n THR 77 Cb 0.57 -0.15 -0.07 0.00 -1.82 0.00 0.00 70.33 68.87 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 1.59 3.45 -0.21 12.58 -4.23 -1.25 -3.72 115.64 123.86 2jqa s THR 78 Ca 0.00 -0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 2jqa s THR 78 Cb 0.00 -4.42 0.08 0.00 1.34 0.00 0.00 72.50 69.50 2jqa s THR 78 CO 0.00 -0.82 0.48 -2.28 -0.54 0.00 0.00 174.62 171.46 2jqa s HIS 79 N 12.02 -0.83 -1.48 3.99 5.04 -1.26 -4.87 115.29 127.90 2jqa s HIS 79 Ca 0.71 1.63 0.00 0.00 -1.54 0.00 0.00 55.06 55.86 2jqa s HIS 79 Cb -0.02 0.40 0.00 0.00 0.04 0.00 0.00 32.58 33.00 2jqa s HIS 79 CO 0.13 -0.46 0.00 0.45 -2.34 0.00 0.00 174.74 172.52 2jqa n SER 80 N 4.84 0.00 0.11 9.88 2.88 -1.26 -4.75 113.62 125.32 2jqa n SER 80 Ca -0.16 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.37 2jqa n SER 80 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2jqa n SER 80 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jqa h GLY 81 N 0.00 0.00 -0.02 0.46 0.00 -1.95 -3.44 103.07 98.12 2jqa h GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jqa h GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2jqa n GLY 82 N 1.27 0.13 2.27 4.60 0.00 -1.26 -5.07 105.19 107.13 2jqa n GLY 82 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2jqa n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jqa n MET 83 N 0.00 1.30 -4.67 1.61 0.00 -1.26 -5.10 117.12 109.00 2jqa n MET 83 Ca 0.00 -3.69 -0.32 0.00 -0.00 0.00 0.00 57.70 53.69 2jqa n MET 83 Cb 0.06 -1.55 -0.12 0.00 0.00 0.00 0.00 33.22 31.61 2jqa n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jqa s ALA 84 N -1.64 2.80 0.00 -5.12 0.00 -1.26 -4.71 121.76 111.83 2jqa s ALA 84 Ca 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2jqa s ALA 84 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.29 2jqa s ALA 84 CO -0.08 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.67 2jqa n GLY 85 N 1.89 1.05 3.66 0.00 0.00 -1.24 -4.88 105.19 105.66 2jqa n GLY 85 Ca -0.16 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2jqa n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jqa s MET 86 N -2.00 4.22 0.00 1.61 1.00 -1.26 -3.75 119.30 119.12 2jqa s MET 86 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 55.69 57.60 2jqa s MET 86 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 34.83 31.01 2jqa s MET 86 CO 0.00 -0.74 0.00 0.36 0.00 0.00 0.00 175.02 174.64 2jqa n LYS 87 N 6.60 0.00 -4.25 2.03 2.85 -0.80 -5.01 118.16 119.59 2jqa n LYS 87 Ca 0.15 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.18 2jqa n LYS 87 Cb 0.44 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.75 2jqa n LYS 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jqa s MET 88 N -1.08 2.28 -0.07 -1.58 0.23 -1.26 -3.37 119.30 114.45 2jqa s MET 88 Ca 0.00 -1.51 -0.05 0.00 -1.03 0.00 0.00 55.69 53.09 2jqa s MET 88 Cb 0.00 -2.12 0.02 0.00 -1.53 0.00 0.00 34.83 31.20 2jqa s MET 88 CO 0.00 0.25 0.10 0.28 -2.03 0.00 0.00 175.02 173.63 2jqa n VAL 89 N -0.98-10.48 -1.80 5.16 0.31 0.66 -4.70 118.33 106.50 2jqa n VAL 89 Ca -0.05 2.22 -0.29 0.00 -0.01 0.00 0.00 64.34 66.20 2jqa n VAL 89 Cb 0.60 -5.57 0.14 0.00 -0.91 0.00 0.00 33.84 28.10 2jqa n VAL 89 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jqa s PRO 90 N -0.86 1.12 0.19 5.55 0.04 -1.26 -4.83 135.00 134.94 2jqa s PRO 90 Ca -0.12 -0.07 0.04 0.00 0.04 0.00 0.00 61.00 60.89 2jqa s PRO 90 Cb 0.01 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2jqa s PRO 90 CO 0.32 -2.15 0.24 1.67 0.04 0.00 0.00 177.00 177.13 2jqa s TRP 91 N -3.61 3.32 -0.06 0.56 -2.14 -1.26 -4.67 118.94 111.07 2jqa s TRP 91 Ca 0.67 0.01 -0.02 0.00 2.66 0.00 0.00 56.10 59.43 2jqa s TRP 91 Cb -0.09 -1.56 -0.03 0.00 -3.10 0.00 0.00 33.47 28.69 2jqa s TRP 91 CO 0.52 0.50 -0.07 -0.11 -2.66 0.00 0.00 176.95 175.13 2jqa n LEU 92 N -0.76 1.40 -4.54 -4.66 7.94 0.07 -4.83 117.00 111.63 2jqa n LEU 92 Ca -0.08 0.04 -0.37 0.00 -1.11 0.00 0.00 56.01 54.48 2jqa n LEU 92 Cb 0.55 -0.20 -0.06 0.00 0.53 0.00 0.00 43.42 44.25 2jqa n LEU 92 CO 0.45 0.31 2.08 0.41 -1.11 0.00 0.00 177.39 179.53 2jqa n THR 93 N -3.06 -0.06 -1.60 1.96 -1.04 0.38 -4.63 114.28 106.23 2jqa n THR 93 Ca -0.12 -0.60 -0.45 0.00 -2.04 0.00 0.00 64.05 60.84 2jqa n THR 93 Cb 0.60 -2.22 -0.04 0.00 -1.82 0.00 0.00 70.33 66.85 2jqa n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jqa n ILE 94 N 7.87 0.43 -2.44 12.58 0.00 -1.26 -4.90 119.36 131.64 2jqa n ILE 94 Ca 0.44 -0.31 -0.38 0.00 0.00 0.00 0.00 62.75 62.51 2jqa n ILE 94 Cb 0.41 -2.23 -0.03 0.00 0.00 0.00 0.00 39.64 37.80 2jqa n ILE 94 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jqa s PRO 95 N 5.61 3.44 -0.53 9.51 0.04 -1.26 -4.04 135.00 147.77 2jqa s PRO 95 Ca 0.99 -1.24 -0.09 0.00 0.04 0.00 0.00 61.00 60.70 2jqa s PRO 95 Cb -0.51 -5.35 0.01 0.00 0.04 0.00 0.00 34.50 28.68 2jqa s PRO 95 CO 0.42 -2.56 0.34 0.00 0.04 0.00 0.00 177.00 175.23 2jqa n ALA 96 N 10.03 -1.91 -1.81 8.56 0.00 -1.26 -1.40 120.51 132.72 2jqa n ALA 96 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2jqa n ALA 96 Cb 0.49 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2jqa n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jqa n ARG 97 N -2.33 0.00 0.00 0.00 0.63 -1.26 -4.97 116.66 108.74 2jqa n ARG 97 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2jqa n ARG 97 Cb 0.33 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.25 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jqa n GLY 98 N -0.48 0.63 3.43 5.14 0.00 -0.49 -5.08 105.19 108.34 2jqa n GLY 98 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 1.77 -0.72 -0.92 2.61 -1.32 -1.26 -4.92 115.64 110.88 2jqa s THR 99 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 2jqa s THR 99 Cb 0.00 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 2jqa s THR 99 CO 0.00 0.00 1.01 0.00 -2.21 0.00 0.00 174.62 173.42 2jqa n LEU 100 N 5.24 4.88 -3.44 9.08 -0.00 -1.26 -4.92 117.00 126.58 2jqa n LEU 100 Ca -0.09 -5.22 -0.28 0.00 -0.00 0.00 0.00 56.01 50.43 2jqa n LEU 100 Cb 0.51 -1.09 -0.11 0.00 -0.00 0.00 0.00 43.42 42.73 2jqa n LEU 100 CO -0.04 1.69 -0.32 -0.89 -0.00 0.00 0.00 177.39 177.83 2jqa s THR 101 N -2.02 0.28 -0.28 1.47 2.01 -1.26 -1.81 115.64 114.03 2jqa s THR 101 Ca 0.32 -2.21 -0.14 0.00 0.31 0.00 0.00 61.69 59.97 2jqa s THR 101 Cb 0.01 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2jqa s THR 101 CO -0.03 -1.11 0.31 -0.76 -0.69 0.00 0.00 174.62 172.33 2jqa s LEU 102 N 0.54 4.08 0.00 4.42 1.02 0.22 -4.84 118.68 124.12 2jqa s LEU 102 Ca 0.25 0.13 -0.04 0.00 0.02 0.00 0.00 54.13 54.50 2jqa s LEU 102 Cb -0.10 -2.31 -0.01 0.00 0.02 0.00 0.00 46.19 43.80 2jqa s LEU 102 CO -0.10 -0.15 0.06 -1.10 0.02 0.00 0.00 176.35 175.08 2jqa s GLN 103 N 1.95 0.34 0.30 1.70 -0.21 0.18 -2.37 119.66 121.55 2jqa s GLN 103 Ca 0.12 -0.38 0.13 0.00 0.02 0.00 0.00 55.36 55.25 2jqa s GLN 103 Cb -0.16 0.13 0.71 0.00 1.00 0.00 0.00 33.01 34.70 2jqa s GLN 103 CO 0.10 -0.07 1.30 2.89 -2.12 0.00 0.00 175.29 177.40 2jqa n ARG 104 N 1.83 0.09 0.21 2.91 -4.01 -1.26 -1.08 116.66 115.34 2jqa n ARG 104 Ca -0.21 0.56 0.08 0.00 -1.04 0.00 0.00 57.85 57.24 2jqa n ARG 104 Cb 0.56 -2.05 0.42 0.00 -3.04 0.00 0.00 32.46 28.34 2jqa n ARG 104 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 2jqa h ASP 105 N 0.00 0.00 0.00 2.89 5.19 -2.00 -3.44 116.42 119.06 2jqa h ASP 105 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jqa h ASP 105 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2jqa h ASP 105 CO 0.00 0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.02 2jqa n GLY 106 N 0.11 0.01 3.02 2.75 0.00 -0.59 -4.99 105.19 105.51 2jqa n GLY 106 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2jqa n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jqa s ASP 107 N 0.00 -0.49 -0.27 1.61 -1.08 -0.24 -0.32 116.67 115.88 2jqa s ASP 107 Ca 0.00 0.27 -0.24 0.00 -0.52 0.00 0.00 52.55 52.06 2jqa s ASP 107 Cb 0.00 1.56 0.07 0.00 -1.46 0.00 0.00 42.92 43.09 2jqa s ASP 107 CO 0.00 -0.30 0.72 -1.38 0.52 0.00 0.00 175.17 174.73 2jqa s HIS 108 N 2.68 -0.82 0.04 -5.34 -3.43 0.28 0.50 115.29 109.21 2jqa s HIS 108 Ca 0.14 1.95 -0.08 0.00 -0.80 0.00 0.00 55.06 56.26 2jqa s HIS 108 Cb -0.14 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.27 2jqa s HIS 108 CO -0.22 -0.40 0.33 0.14 -2.00 0.00 0.00 174.74 172.60 2jqa s VAL 109 N 0.52 5.20 -0.13 -5.38 -7.23 -1.25 -1.35 120.40 110.77 2jqa s VAL 109 Ca -0.01 0.32 -0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2jqa s VAL 109 Cb -0.05 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.31 2jqa s VAL 109 CO -0.01 0.34 -0.09 -0.32 -0.31 0.00 0.00 175.10 174.71 2jqa s MET 110 N -1.80 1.70 -0.78 4.82 1.75 0.24 -1.81 119.30 123.41 2jqa s MET 110 Ca 0.30 -0.37 -0.21 0.00 -1.25 0.00 0.00 55.69 54.16 2jqa s MET 110 Cb -0.14 -1.78 0.09 0.00 2.84 0.00 0.00 34.83 35.85 2jqa s MET 110 CO 0.17 -0.29 1.05 -0.51 -0.65 0.00 0.00 175.02 174.79 2jqa s LEU 111 N 1.64 4.64 -0.19 4.11 1.02 0.53 -1.19 118.68 129.24 2jqa s LEU 111 Ca 0.04 -1.45 -0.20 0.00 0.02 0.00 0.00 54.13 52.55 2jqa s LEU 111 Cb -0.13 -2.41 -0.03 0.00 0.02 0.00 0.00 46.19 43.64 2jqa s LEU 111 CO -0.09 -1.28 0.57 -0.32 0.02 0.00 0.00 176.35 175.25 2jqa s MET 112 N 3.52 4.21 -0.35 1.70 1.75 -0.25 -2.17 119.30 127.71 2jqa s MET 112 Ca 0.27 0.52 -0.00 0.00 -1.25 0.00 0.00 55.69 55.23 2jqa s MET 112 Cb -0.11 -3.56 -0.00 0.00 2.84 0.00 0.00 34.83 33.99 2jqa s MET 112 CO 0.01 -0.17 0.29 0.41 -0.65 0.00 0.00 175.02 174.91 2jqa n GLY 113 N 3.80 0.22 3.56 2.11 0.00 -0.20 -0.77 105.19 113.91 2jqa n GLY 113 Ca -0.03 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.32 0.44 0.05 0.99 0.20 0.44 -1.17 118.68 116.30 2jqa s LEU 114 Ca 0.01 0.58 0.00 0.00 0.69 0.00 0.00 54.13 55.42 2jqa s LEU 114 Cb -0.00 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.53 2jqa s LEU 114 CO 0.21 -4.35 0.00 2.29 -0.29 0.00 0.00 176.35 174.21 2jqa n LYS 115 N -4.91 0.00 -3.68 1.98 2.85 -1.25 -4.79 118.16 108.36 2jqa n LYS 115 Ca 0.14 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.05 2jqa n LYS 115 Cb 0.60 -0.19 -0.08 0.00 -0.65 0.00 0.00 35.03 34.71 2jqa n LYS 115 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2jqa s ARG 116 N -2.00 4.20 -0.42 -1.58 0.52 -1.26 -5.05 118.95 113.36 2jqa s ARG 116 Ca 0.00 -0.14 -0.23 0.00 -0.52 0.00 0.00 55.73 54.84 2jqa s ARG 116 Cb 0.00 -3.43 0.02 0.00 0.52 0.00 0.00 34.95 32.06 2jqa s ARG 116 CO 0.00 0.27 0.77 -1.25 0.02 0.00 0.00 175.30 175.11 2jqa s PRO 117 N 0.43 3.54 0.26 3.54 0.04 -1.26 -5.05 135.00 136.49 2jqa s PRO 117 Ca 0.10 0.04 -0.20 0.00 0.04 0.00 0.00 61.00 60.98 2jqa s PRO 117 Cb -0.12 -3.89 -0.09 0.00 0.04 0.00 0.00 34.50 30.45 2jqa s PRO 117 CO -0.00 -1.01 0.76 -0.51 0.04 0.00 0.00 177.00 176.29 2jqa s LEU 118 N 3.19 4.27 0.44 -3.56 2.01 -1.26 -4.91 118.68 118.86 2jqa s LEU 118 Ca 0.30 1.46 0.08 0.00 0.01 0.00 0.00 54.13 55.97 2jqa s LEU 118 Cb -0.13 -3.77 -0.00 0.00 0.01 0.00 0.00 46.19 42.30 2jqa s LEU 118 CO 0.20 -0.04 0.45 -0.75 1.01 0.00 0.00 176.35 177.22 2jqa s LYS 119 N -2.22 2.53 0.10 1.70 2.20 -1.26 -3.72 119.74 119.07 2jqa s LYS 119 Ca 0.47 -1.55 0.04 0.00 -0.36 0.00 0.00 55.97 54.57 2jqa s LYS 119 Cb -0.15 -2.43 0.23 0.00 -1.51 0.00 0.00 37.83 33.97 2jqa s LYS 119 CO 0.20 -0.30 0.99 1.55 -0.36 0.00 0.00 175.35 177.43 2jqa n VAL 120 N -1.68 1.14 -0.47 4.02 3.14 -1.26 -1.44 118.33 121.79 2jqa n VAL 120 Ca 0.05 0.57 0.00 0.00 -2.96 0.00 0.00 64.34 62.00 2jqa n VAL 120 Cb 0.62 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 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 -1.32 0.14 3.85 7.55 0.00 -1.23 -4.47 105.19 109.70 2jqa n GLY 121 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.48 3.83 0.49 1.61 2.12 -0.52 -4.98 118.70 120.76 2jqa s GLU 122 Ca 0.00 0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.59 2jqa s GLU 122 Cb 0.00 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 2jqa s GLU 122 CO 0.00 0.64 0.75 0.95 -0.54 0.00 0.00 175.26 177.06 2jqa s THR 123 N -1.21 4.23 -0.02 -1.70 -4.23 -1.26 -1.32 115.64 110.13 2jqa s THR 123 Ca 0.27 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2jqa s THR 123 Cb -0.15 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2jqa s THR 123 CO 0.15 -0.51 0.05 0.54 -0.54 0.00 0.00 174.62 174.31 2jqa s VAL 124 N -2.69 0.01 0.03 2.29 0.11 0.41 -4.85 120.40 115.70 2jqa s VAL 124 Ca 0.49 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.19 2jqa s VAL 124 Cb -0.10 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 2jqa s VAL 124 CO 0.41 -0.03 1.15 0.20 -3.33 0.00 0.00 175.10 173.51 2jqa s ASN 125 N -0.05 7.14 0.02 3.54 0.02 -1.26 -1.48 114.94 122.86 2jqa s ASN 125 Ca -0.01 1.90 0.06 0.00 -1.02 0.00 0.00 52.86 53.79 2jqa s ASN 125 Cb -0.01 -2.57 -0.02 0.00 0.02 0.00 0.00 41.25 38.67 2jqa s ASN 125 CO 0.00 -0.44 -0.17 -0.51 0.02 0.00 0.00 177.10 175.99 2jqa s ILE 126 N 1.23 1.39 -0.36 0.60 -1.16 -0.56 -4.81 121.20 117.52 2jqa s ILE 126 Ca 0.57 -0.97 -0.08 0.00 -0.51 0.00 0.00 60.65 59.66 2jqa s ILE 126 Cb -0.27 -1.20 0.04 0.00 0.61 0.00 0.00 42.46 41.65 2jqa s ILE 126 CO 0.28 0.21 0.16 0.42 -2.81 0.00 0.00 174.94 173.20 2jqa s THR 127 N -0.67 4.06 -0.43 4.00 -4.23 -0.57 -1.40 115.64 116.41 2jqa s THR 127 Ca 0.05 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2jqa s THR 127 Cb -0.08 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.54 2jqa s THR 127 CO 0.01 -0.26 0.24 -0.76 -0.54 0.00 0.00 174.62 173.31 2jqa s LEU 128 N 1.44 5.36 -0.32 4.79 1.43 -0.34 -0.91 118.68 130.13 2jqa s LEU 128 Ca 0.00 -1.97 -0.21 0.00 -1.03 0.00 0.00 54.13 50.93 2jqa s LEU 128 Cb -0.20 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 2jqa s LEU 128 CO 0.04 -0.58 0.65 -0.54 0.23 0.00 0.00 176.35 176.14 2jqa s LYS 129 N 1.22 3.84 0.63 1.70 3.01 -1.21 -1.79 119.74 127.14 2jqa s LYS 129 Ca 0.07 0.25 -0.18 0.00 -1.01 0.00 0.00 55.97 55.10 2jqa s LYS 129 Cb -0.24 -3.75 -0.04 0.00 -1.01 0.00 0.00 37.83 32.79 2jqa s LYS 129 CO -0.03 -0.64 0.97 0.00 0.51 0.00 0.00 175.35 176.17 2jqa n ALA 130 N 5.97 0.13 0.17 5.17 0.00 -1.25 -0.60 120.51 130.10 2jqa n ALA 130 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.44 2jqa n ALA 130 Cb 0.49 -2.12 0.25 0.00 0.00 0.00 0.00 19.45 18.06 2jqa n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jqa h THR 131 N 0.31 0.97 -1.37 0.00 1.03 -1.82 -3.34 112.91 108.70 2jqa h THR 131 Ca -0.49 -1.79 -0.35 0.00 -0.01 0.00 0.00 66.41 63.77 2jqa h THR 131 Cb 1.36 2.08 -0.25 0.00 -1.07 0.00 0.00 68.15 70.27 2jqa h THR 131 CO 0.50 0.44 -0.72 0.47 -0.01 0.00 0.00 175.52 176.20 2jqa n ASP 132 N -3.49 -1.98 0.00 0.00 8.00 -1.26 -4.91 116.55 112.91 2jqa n ASP 132 Ca 0.00 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2jqa n ASP 132 Cb 0.58 0.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 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 2.47 -0.58 1.17 0.44 0.00 -1.25 -5.10 105.19 102.34 2jqa n GLY 133 Ca 0.20 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.59 2jqa n GLY 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqa n ARG 134 N 0.00 0.00 -1.10 1.61 0.00 -1.26 -4.67 116.66 111.24 2jqa n ARG 134 Ca 0.00 -1.55 -0.31 0.00 -0.00 0.00 0.00 57.85 56.00 2jqa n ARG 134 Cb 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 32.46 32.55 2jqa n ARG 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2jqa s THR 135 N 0.00 2.87 0.00 5.15 2.01 -1.26 -4.93 115.64 119.47 2jqa s THR 135 Ca 0.20 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2jqa s THR 135 Cb 0.23 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 70.09 2jqa s THR 135 CO -0.10 -0.37 0.00 0.00 -0.69 0.00 0.00 174.62 173.46 2jqa n LEU 136 N -3.81 0.00 -4.55 4.42 -0.00 -0.74 -3.88 117.00 108.44 2jqa n LEU 136 Ca 0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.79 2jqa n LEU 136 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.91 2jqa n LEU 136 CO 0.53 0.00 1.68 0.21 -0.00 0.00 0.00 177.39 179.81 2jqa s ASN 137 N 2.00 4.63 0.22 1.45 3.04 -1.26 -1.20 114.94 123.81 2jqa s ASN 137 Ca 0.00 0.48 0.04 0.00 0.04 0.00 0.00 52.86 53.42 2jqa s ASN 137 Cb 0.00 -2.52 -0.05 0.00 -1.54 0.00 0.00 41.25 37.13 2jqa s ASN 137 CO 0.00 -2.93 -0.02 -0.69 -3.04 0.00 0.00 177.10 170.42 2jqa s VAL 138 N 11.64 1.07 0.07 -5.21 1.01 -0.50 -5.00 120.40 123.47 2jqa s VAL 138 Ca 0.85 -2.04 0.03 0.00 0.00 0.00 0.00 61.98 60.82 2jqa s VAL 138 Cb -0.14 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2jqa s VAL 138 CO 0.18 -0.39 0.06 0.00 0.00 0.00 0.00 175.10 174.96 2jqa s ALA 139 N -3.40 3.51 0.21 5.51 0.00 -1.26 -1.50 121.76 124.84 2jqa s ALA 139 Ca 0.27 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 2jqa s ALA 139 Cb 0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2jqa s ALA 139 CO 0.07 0.73 0.34 0.00 0.00 0.00 0.00 175.76 176.91 2jqa s ALA 140 N -1.34 0.17 0.22 0.00 0.00 -0.55 -4.87 121.76 115.38 2jqa s ALA 140 Ca 0.28 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 51.26 2jqa s ALA 140 Cb -0.12 1.09 -0.05 0.00 0.00 0.00 0.00 23.12 24.04 2jqa s ALA 140 CO 0.20 -0.73 -0.18 0.99 0.00 0.00 0.00 175.76 176.04 2jqa s THR 141 N -4.04 2.04 -0.12 0.00 2.01 -0.53 -0.44 115.64 114.55 2jqa s THR 141 Ca 0.25 -2.18 0.01 0.00 0.31 0.00 0.00 61.69 60.08 2jqa s THR 141 Cb 0.02 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 2jqa s THR 141 CO 0.07 -0.42 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.73 2jqa s VAL 142 N -2.47 2.80 0.01 3.82 1.01 -0.44 -1.98 120.40 123.15 2jqa s VAL 142 Ca 0.23 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2jqa s VAL 142 Cb -0.04 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 2jqa s VAL 142 CO 0.09 0.53 0.05 -0.75 0.00 0.00 0.00 175.10 175.03 2jqa s LYS 143 N 0.37 0.39 -0.10 2.72 2.20 -0.82 -3.58 119.74 120.92 2jqa s LYS 143 Ca -0.13 -0.50 -0.14 0.00 -0.36 0.00 0.00 55.97 54.85 2jqa s LYS 143 Cb -0.16 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.26 2jqa s LYS 143 CO 0.06 -0.08 0.34 -1.59 -0.36 0.00 0.00 175.35 173.72 2jqa s LYS 144 N -1.39 4.07 0.00 4.03 -2.85 -1.26 -1.38 119.74 120.96 2jqa s LYS 144 Ca -0.15 0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.03 2jqa s LYS 144 Cb -0.09 -3.34 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 2jqa s LYS 144 CO 0.00 0.42 0.00 0.27 0.10 0.00 0.00 175.35 176.15 2jqa n ASN 145 N 2.88 0.00 -0.01 0.03 6.94 -1.26 -5.00 115.26 118.84 2jqa n ASN 145 Ca -0.13 -0.31 0.09 0.00 -0.02 0.00 0.00 54.58 54.22 2jqa n ASN 145 Cb 0.52 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.80 2jqa n ASN 145 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2jqa n ILE 146 N 0.00 0.03 0.07 1.53 -5.35 -1.26 -4.98 119.36 109.39 2jqa n ILE 146 Ca 0.00 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2jqa n ILE 146 Cb 0.12 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 2jqa n ILE 146 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2jqa n GLU 147 N -2.17 0.00 -0.45 6.28 2.13 -1.26 -5.17 120.64 120.01 2jqa n GLU 147 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2jqa n GLU 147 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqa n GLY 148 N -1.49 -0.74 0.00 8.31 0.00 -1.26 -5.25 105.19 104.76 2jqa n GLY 148 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19