#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 1.79 3.33 3.03 0.00 -1.26 -5.17 105.19 106.92 2jqa n GLY 2 Ca 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 2jqa n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jqa s HIS 3 N -1.44 0.74 0.04 1.61 0.00 -1.26 -5.18 115.29 109.81 2jqa s HIS 3 Ca 0.00 -1.05 -0.28 0.00 -3.00 0.00 0.00 55.06 50.73 2jqa s HIS 3 Cb 0.00 -0.23 0.10 0.00 -4.00 0.00 0.00 32.58 28.44 2jqa s HIS 3 CO 0.00 -0.74 1.12 -0.08 -1.00 0.00 0.00 174.74 174.03 2jqa s THR 4 N -4.07 0.00 -0.25 -5.38 -1.32 -1.26 -5.20 115.64 98.16 2jqa s THR 4 Ca 0.28 -0.37 -0.19 0.00 -1.21 0.00 0.00 61.69 60.20 2jqa s THR 4 Cb 0.04 -1.84 0.07 0.00 -1.51 0.00 0.00 72.50 69.26 2jqa s THR 4 CO 0.08 0.00 0.65 -0.32 -2.21 0.00 0.00 174.62 172.81 2jqa s MET 5 N -2.83 0.71 0.37 7.08 -2.45 -1.26 -5.18 119.30 115.75 2jqa s MET 5 Ca 0.12 1.02 -0.09 0.00 -1.25 0.00 0.00 55.69 55.49 2jqa s MET 5 Cb 0.01 0.25 -0.06 0.00 1.25 0.00 0.00 34.83 36.28 2jqa s MET 5 CO -0.02 -0.12 0.71 -1.25 1.05 0.00 0.00 175.02 175.39 2jqa s PRO 6 N 0.94 3.74 -0.11 4.11 0.04 -1.26 -5.12 135.00 137.35 2jqa s PRO 6 Ca -0.05 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.24 2jqa s PRO 6 Cb -0.05 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.06 2jqa s PRO 6 CO -0.08 0.03 0.30 0.00 0.04 0.00 0.00 177.00 177.29 2jqa s ALA 7 N -2.29 -0.73 0.05 8.56 0.00 -1.26 -5.17 121.76 120.92 2jqa s ALA 7 Ca 0.49 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 2jqa s ALA 7 Cb -0.10 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2jqa s ALA 7 CO 0.31 -0.14 -0.00 -1.01 0.00 0.00 0.00 175.76 174.91 2jqa s HIS 8 N 0.09 0.47 -0.04 0.00 3.76 -1.26 -5.17 115.29 113.14 2jqa s HIS 8 Ca -0.01 -1.00 0.04 0.00 -0.15 0.00 0.00 55.06 53.94 2jqa s HIS 8 Cb -0.02 -0.35 0.00 0.00 1.11 0.00 0.00 32.58 33.32 2jqa s HIS 8 CO 0.01 -0.39 -0.14 -0.08 -0.85 0.00 0.00 174.74 173.28 2jqa s THR 9 N -3.85 1.24 0.29 1.30 -1.32 -1.26 -5.14 115.64 106.90 2jqa s THR 9 Ca 0.06 -0.60 -0.29 0.00 -1.21 0.00 0.00 61.69 59.65 2jqa s THR 9 Cb 0.07 -1.08 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 2jqa s THR 9 CO -0.10 0.36 1.22 -2.16 -2.21 0.00 0.00 174.62 171.73 2jqa s PRO 10 N 0.18 4.48 0.68 7.08 0.04 -1.26 -5.05 135.00 141.15 2jqa s PRO 10 Ca -0.06 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 2jqa s PRO 10 Cb -0.12 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.33 2jqa s PRO 10 CO 0.02 -0.02 1.00 -1.25 0.04 0.00 0.00 177.00 176.79 2jqa s PRO 11 N -1.45 2.45 -0.10 0.56 0.04 -1.26 -5.13 135.00 130.10 2jqa s PRO 11 Ca 0.48 -0.10 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 2jqa s PRO 11 Cb -0.36 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.03 2jqa s PRO 11 CO 0.46 -1.09 0.26 0.00 0.04 0.00 0.00 177.00 176.68 2jqa s ALA 12 N -3.20 -0.65 -0.18 8.56 0.00 -1.26 -5.17 121.76 119.86 2jqa s ALA 12 Ca 0.58 0.78 -0.26 0.00 0.00 0.00 0.00 51.96 53.06 2jqa s ALA 12 Cb -0.11 -0.46 0.07 0.00 0.00 0.00 0.00 23.12 22.62 2jqa s ALA 12 CO 0.46 -0.13 0.68 -1.14 0.00 0.00 0.00 175.76 175.62 2jqa s GLN 13 N 0.27 0.89 0.12 0.00 0.74 -1.26 -5.18 119.66 115.25 2jqa s GLN 13 Ca -0.01 0.69 -0.25 0.00 0.05 0.00 0.00 55.36 55.85 2jqa s GLN 13 Cb -0.03 0.43 0.07 0.00 1.10 0.00 0.00 33.01 34.59 2jqa s GLN 13 CO -0.01 -0.18 0.71 -0.08 -0.55 0.00 0.00 175.29 175.18 2jqa s THR 14 N -0.21 0.00 -0.17 -0.34 -1.32 -1.26 -5.19 115.64 107.15 2jqa s THR 14 Ca -0.04 -0.11 -0.28 0.00 -1.21 0.00 0.00 61.69 60.05 2jqa s THR 14 Cb -0.03 -1.13 0.08 0.00 -1.51 0.00 0.00 72.50 69.91 2jqa s THR 14 CO 0.04 0.00 0.76 0.00 -2.21 0.00 0.00 174.62 173.22 2jqa s ALA 15 N -3.56 -1.81 0.68 11.08 0.00 -1.26 -5.19 121.76 121.70 2jqa s ALA 15 Ca 0.03 1.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 2jqa s ALA 15 Cb -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2jqa s ALA 15 CO -0.10 -0.34 1.06 -1.25 0.00 0.00 0.00 175.76 175.14 2jqa s PRO 16 N -0.39 2.91 0.02 0.00 0.04 -1.26 -5.11 135.00 131.21 2jqa s PRO 16 Ca -0.04 0.41 -0.27 0.00 0.04 0.00 0.00 61.00 61.14 2jqa s PRO 16 Cb -0.03 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.52 2jqa s PRO 16 CO 0.04 -0.95 0.62 0.00 0.04 0.00 0.00 177.00 176.74 2jqa s ALA 17 N -3.29 -1.62 0.17 8.56 0.00 -1.26 -5.20 121.76 119.12 2jqa s ALA 17 Ca 0.57 0.94 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 2jqa s ALA 17 Cb -0.11 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.37 2jqa s ALA 17 CO 0.51 -0.50 0.57 0.00 0.00 0.00 0.00 175.76 176.34 2jqa s ALA 18 N -2.11 -1.38 0.34 0.00 0.00 -1.26 -5.20 121.76 112.15 2jqa s ALA 18 Ca -0.07 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 2jqa s ALA 18 Cb -0.01 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.98 2jqa s ALA 18 CO 0.02 -0.78 0.56 -0.65 0.00 0.00 0.00 175.76 174.91 2jqa s GLN 19 N -3.79 1.92 -0.02 0.00 -0.21 -1.26 -5.12 119.66 111.18 2jqa s GLN 19 Ca 0.03 -1.57 -0.00 0.00 0.02 0.00 0.00 55.36 53.84 2jqa s GLN 19 Cb -0.01 0.50 0.00 0.00 1.00 0.00 0.00 33.01 34.50 2jqa s GLN 19 CO -0.10 -0.83 0.00 1.17 -2.12 0.00 0.00 175.29 173.41 2jqa n LYS 20 N -0.52 -0.30 -3.91 2.91 4.81 -1.26 -5.14 118.16 114.75 2jqa n LYS 20 Ca -0.02 0.70 -0.09 0.00 -0.87 0.00 0.00 58.31 58.03 2jqa n LYS 20 Cb 0.61 -1.37 -0.05 0.00 0.02 0.00 0.00 35.03 34.25 2jqa n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jqa s ALA 21 N -0.13 -0.50 0.00 3.14 0.00 -1.26 -5.16 121.76 117.84 2jqa s ALA 21 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2jqa s ALA 21 Cb 0.00 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.09 2jqa s ALA 21 CO 0.07 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2jqa n GLY 22 N -0.36 -0.05 3.42 0.00 0.00 -1.26 -5.09 105.19 101.85 2jqa n GLY 22 Ca -0.05 -2.28 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.81 -2.15 -1.46 4.61 0.00 -1.26 -4.89 120.51 114.54 2jqa n ALA 23 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 2jqa n ALA 23 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 19.45 16.11 2jqa n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jqa n GLN 24 N -3.92 3.32 0.00 0.00 7.27 -1.26 -4.85 117.38 117.94 2jqa n GLN 24 Ca -0.23 -2.31 0.00 0.00 0.07 0.00 0.00 57.00 54.53 2jqa n GLN 24 Cb 0.66 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.86 2jqa n GLN 24 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jqa n ALA 25 N 2.29 0.00 -3.03 1.69 0.00 -1.26 -5.05 120.51 115.15 2jqa n ALA 25 Ca 0.60 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.80 2jqa n ALA 25 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.74 2jqa n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jqa s LEU 26 N -4.64 1.84 0.81 0.00 1.02 -1.26 -5.16 118.68 111.28 2jqa s LEU 26 Ca 0.00 -0.31 -0.09 0.00 0.02 0.00 0.00 54.13 53.75 2jqa s LEU 26 Cb 0.00 -0.86 0.13 0.00 0.02 0.00 0.00 46.19 45.48 2jqa s LEU 26 CO 0.00 0.11 1.13 -2.16 0.02 0.00 0.00 176.35 175.45 2jqa s PRO 27 N 0.19 1.50 -0.13 1.29 0.04 -1.26 -5.11 135.00 131.52 2jqa s PRO 27 Ca -0.06 -0.51 -0.00 0.00 0.04 0.00 0.00 61.00 60.47 2jqa s PRO 27 Cb -0.12 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.37 2jqa s PRO 27 CO 0.02 -1.73 -0.08 0.54 0.04 0.00 0.00 177.00 175.79 2jqa s VAL 28 N -3.47 1.12 0.32 -0.36 0.11 -1.26 -5.13 120.40 111.74 2jqa s VAL 28 Ca 0.67 -0.41 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 2jqa s VAL 28 Cb -0.07 -1.15 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2jqa s VAL 28 CO 0.48 0.33 0.72 0.42 -3.33 0.00 0.00 175.10 173.72 2jqa s THR 29 N 1.66 0.00 -0.23 5.04 -4.23 -1.15 -4.24 115.64 112.50 2jqa s THR 29 Ca 0.04 -1.06 0.19 0.00 -1.18 0.00 0.00 61.69 59.69 2jqa s THR 29 Cb -0.13 -2.41 0.48 0.00 1.34 0.00 0.00 72.50 71.78 2jqa s THR 29 CO -0.08 0.00 1.14 0.52 -0.54 0.00 0.00 174.62 175.66 2jqa n VAL 30 N -0.49 1.42 0.29 2.29 0.31 -1.00 -4.74 118.33 116.42 2jqa n VAL 30 Ca -0.05 -2.95 0.12 0.00 -0.01 0.00 0.00 64.34 61.44 2jqa n VAL 30 Cb 0.60 0.63 0.17 0.00 -0.91 0.00 0.00 33.84 34.33 2jqa n VAL 30 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 2jqa h GLN 31 N 2.19 0.00 0.00 5.55 3.07 -1.79 -3.43 115.11 120.70 2jqa h GLN 31 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2jqa h GLN 31 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.97 2jqa h GLN 31 CO 0.29 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.62 2jqa n GLY 32 N 1.17 1.03 3.77 0.06 0.00 -1.26 -3.85 105.19 106.10 2jqa n GLY 32 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 0.66 -2.69 -2.90 4.61 0.00 -1.26 -4.22 120.51 114.70 2jqa n ALA 33 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 2jqa n ALA 33 Cb 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 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 -3.21 3.78 0.07 0.00 2.01 -1.19 -1.34 115.64 115.76 2jqa s THR 34 Ca 0.21 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2jqa s THR 34 Cb -0.10 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 2jqa s THR 34 CO 0.89 0.52 0.38 -0.69 -0.69 0.00 0.00 174.62 175.03 2jqa s VAL 35 N 0.14 5.13 -0.64 3.82 1.01 0.09 -0.83 120.40 129.12 2jqa s VAL 35 Ca -0.02 0.40 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 2jqa s VAL 35 Cb -0.14 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2jqa s VAL 35 CO 0.03 0.30 1.82 0.00 0.00 0.00 0.00 175.10 177.25 2jqa s ALA 36 N -1.38 2.19 -0.03 5.51 0.00 0.15 -2.89 121.76 125.31 2jqa s ALA 36 Ca 0.32 -0.76 -0.35 0.00 0.00 0.00 0.00 51.96 51.17 2jqa s ALA 36 Cb -0.14 -4.32 -0.14 0.00 0.00 0.00 0.00 23.12 18.53 2jqa s ALA 36 CO 0.18 -3.90 1.71 0.00 0.00 0.00 0.00 175.76 173.74 2jqa n ALA 37 N 12.55 0.64 -2.52 0.00 0.00 -0.39 -4.55 120.51 126.24 2jqa n ALA 37 Ca 0.20 0.37 -0.27 0.00 0.00 0.00 0.00 53.44 53.74 2jqa n ALA 37 Cb 0.52 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.44 2jqa n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jqa s VAL 38 N 2.66 1.61 1.05 0.00 0.11 -1.26 -4.18 120.40 120.38 2jqa s VAL 38 Ca 0.89 -0.86 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 2jqa s VAL 38 Cb -0.78 -1.34 0.21 0.00 -1.53 0.00 0.00 36.38 32.94 2jqa s VAL 38 CO 0.49 0.46 1.09 -2.16 -3.33 0.00 0.00 175.10 171.65 2jqa s PRO 39 N -0.38 0.02 1.13 1.54 0.04 -1.26 -4.30 135.00 131.80 2jqa s PRO 39 Ca 0.05 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.41 2jqa s PRO 39 Cb -0.09 -1.70 0.27 0.00 0.04 0.00 0.00 34.50 33.02 2jqa s PRO 39 CO -0.00 -2.99 1.04 -1.25 0.04 0.00 0.00 177.00 173.84 2jqa s PRO 40 N -4.97 -0.67 0.00 0.56 0.04 -1.26 -3.54 135.00 125.15 2jqa s PRO 40 Ca 0.66 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2jqa s PRO 40 Cb -0.18 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2jqa s PRO 40 CO 0.58 -3.53 0.00 0.45 0.04 0.00 0.00 177.00 174.54 2jqa n SER 41 N -4.77 0.00 -4.69 6.66 2.88 -1.26 -4.98 113.62 107.47 2jqa n SER 41 Ca 0.03 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.18 2jqa n SER 41 Cb 0.55 -0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.13 5.06 -0.38 2.46 -1.09 -1.23 -4.96 121.20 120.93 2jqa s ILE 42 Ca 0.00 1.21 0.05 0.00 -2.23 0.00 0.00 60.65 59.68 2jqa s ILE 42 Cb 0.00 -3.94 0.45 0.00 -1.58 0.00 0.00 42.46 37.38 2jqa s ILE 42 CO 0.00 0.20 1.31 0.54 -1.23 0.00 0.00 174.94 175.75 2jqa n ARG 43 N 4.40 3.45 -3.70 2.79 1.74 -1.26 -4.87 116.66 119.21 2jqa n ARG 43 Ca -0.02 -4.10 -0.11 0.00 -0.77 0.00 0.00 57.85 52.85 2jqa n ARG 43 Cb 0.51 -2.28 -0.12 0.00 -1.02 0.00 0.00 32.46 29.55 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jqa s ASP 44 N -3.29 -0.34 0.18 0.55 1.11 -1.26 -0.74 116.67 112.89 2jqa s ASP 44 Ca 0.52 0.77 -0.11 0.00 0.18 0.00 0.00 52.55 53.91 2jqa s ASP 44 Cb 0.42 0.72 0.04 0.00 1.07 0.00 0.00 42.92 45.17 2jqa s ASP 44 CO -0.02 -0.19 0.56 1.07 1.18 0.00 0.00 175.17 177.77 2jqa n THR 45 N 4.47 0.00 -4.21 -1.27 5.66 -1.18 -4.96 114.28 112.79 2jqa n THR 45 Ca -0.21 -0.49 -0.13 0.00 -3.05 0.00 0.00 64.05 60.17 2jqa n THR 45 Cb 0.53 0.55 -0.10 0.00 -1.55 0.00 0.00 70.33 69.77 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 -1.66 1.27 0.05 1.79 0.00 -1.26 -0.47 121.76 121.48 2jqa s ALA 46 Ca 0.12 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2jqa s ALA 46 Cb -0.02 1.40 -0.03 0.00 0.00 0.00 0.00 23.12 24.47 2jqa s ALA 46 CO 0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 175.76 175.16 2jqa s ALA 47 N -4.02 0.46 0.29 0.00 0.00 -0.47 -0.68 121.76 117.35 2jqa s ALA 47 Ca 0.39 -0.94 0.12 0.00 0.00 0.00 0.00 51.96 51.52 2jqa s ALA 47 Cb 0.06 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 2jqa s ALA 47 CO 0.15 -0.21 -0.18 0.71 0.00 0.00 0.00 175.76 176.23 2jqa s TYR 48 N -2.58 2.32 -0.18 0.00 2.02 -0.01 -3.49 117.35 115.43 2jqa s TYR 48 Ca -0.03 -0.35 -0.28 0.00 -0.37 0.00 0.00 57.07 56.04 2jqa s TYR 48 Cb -0.02 -1.06 0.08 0.00 -0.40 0.00 0.00 41.96 40.56 2jqa s TYR 48 CO -0.04 0.69 0.78 1.41 -1.57 0.00 0.00 175.55 176.82 2jqa s MET 49 N -3.53 0.84 -0.30 -0.62 -2.45 -0.54 -3.17 119.30 109.52 2jqa s MET 49 Ca 0.30 0.59 0.02 0.00 -1.25 0.00 0.00 55.69 55.35 2jqa s MET 49 Cb -0.04 0.40 0.16 0.00 1.25 0.00 0.00 34.83 36.60 2jqa s MET 49 CO 0.15 -0.18 0.39 0.95 1.05 0.00 0.00 175.02 177.38 2jqa s THR 50 N -0.35 -0.57 -0.45 10.11 -4.23 -1.25 -1.04 115.64 117.86 2jqa s THR 50 Ca -0.04 -0.40 -0.14 0.00 -1.18 0.00 0.00 61.69 59.93 2jqa s THR 50 Cb -0.03 -0.92 0.06 0.00 1.34 0.00 0.00 72.50 72.95 2jqa s THR 50 CO 0.03 -0.35 0.35 -0.22 -0.54 0.00 0.00 174.62 173.90 2jqa s LEU 51 N 2.36 5.43 -0.19 4.79 0.20 -0.31 -2.00 118.68 128.96 2jqa s LEU 51 Ca 0.11 -1.26 -0.05 0.00 0.69 0.00 0.00 54.13 53.62 2jqa s LEU 51 Cb -0.13 -2.14 -0.02 0.00 -0.43 0.00 0.00 46.19 43.46 2jqa s LEU 51 CO -0.27 -0.59 -0.01 -0.89 -0.29 0.00 0.00 176.35 174.30 2jqa s THR 52 N 1.61 3.89 0.69 3.68 2.01 -1.26 -2.06 115.64 124.20 2jqa s THR 52 Ca 0.04 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 2jqa s THR 52 Cb -0.23 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2jqa s THR 52 CO 0.07 0.44 1.07 0.54 -0.69 0.00 0.00 174.62 176.04 2jqa s ASN 53 N 0.92 5.57 0.00 3.53 2.20 -1.26 -2.95 114.94 122.95 2jqa s ASN 53 Ca 0.01 1.33 0.16 0.00 -0.94 0.00 0.00 52.86 53.43 2jqa s ASN 53 Cb -0.14 -2.22 0.27 0.00 -2.00 0.00 0.00 41.25 37.15 2jqa s ASN 53 CO 0.02 -1.28 1.10 1.17 -2.94 0.00 0.00 177.10 175.17 2jqa n LYS 54 N -3.00 0.00 0.00 3.55 4.81 -1.26 -4.99 118.16 117.27 2jqa n LYS 54 Ca 0.07 -1.62 0.00 0.00 -0.87 0.00 0.00 58.31 55.88 2jqa n LYS 54 Cb 0.55 0.17 0.00 0.00 0.02 0.00 0.00 35.03 35.77 2jqa n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jqa n SER 55 N 0.32 0.00 -1.09 3.14 2.88 -1.26 -5.08 113.62 112.53 2jqa n SER 55 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2jqa n SER 55 Cb 0.98 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 2jqa n SER 55 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jqa n ASP 56 N 0.00 3.04 -4.24 -3.46 9.92 -1.26 -4.80 116.55 115.75 2jqa n ASP 56 Ca 0.00 -1.88 -0.36 0.00 -0.53 0.00 0.00 54.79 52.02 2jqa n ASP 56 Cb 0.00 -0.54 -0.13 0.00 -0.64 0.00 0.00 41.12 39.81 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 0.11 2.72 0.49 -1.24 -0.21 -1.26 -4.97 119.66 115.31 2jqa s GLN 57 Ca 0.00 -1.08 -0.20 0.00 0.02 0.00 0.00 55.36 54.10 2jqa s GLN 57 Cb 0.00 -3.24 -0.08 0.00 1.00 0.00 0.00 33.01 30.68 2jqa s GLN 57 CO 0.00 -0.54 1.02 -1.25 -2.12 0.00 0.00 175.29 172.40 2jqa s PRO 58 N 1.36 3.85 0.05 2.91 0.04 -1.26 -4.85 135.00 137.10 2jqa s PRO 58 Ca -0.01 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.34 2jqa s PRO 58 Cb -0.18 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 2jqa s PRO 58 CO -0.00 -0.37 -0.17 0.42 0.04 0.00 0.00 177.00 176.92 2jqa s ILE 59 N -2.14 1.36 0.01 0.56 -1.09 -1.24 -5.02 121.20 113.63 2jqa s ILE 59 Ca 0.65 -1.14 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2jqa s ILE 59 Cb -0.14 -1.22 -0.01 0.00 -1.58 0.00 0.00 42.46 39.52 2jqa s ILE 59 CO 0.21 0.05 -0.03 -1.59 -1.23 0.00 0.00 174.94 172.35 2jqa s LYS 60 N -1.27 0.23 -0.03 2.79 -2.85 -1.25 -1.21 119.74 116.14 2jqa s LYS 60 Ca 0.04 -0.24 -0.31 0.00 -1.00 0.00 0.00 55.97 54.46 2jqa s LYS 60 Cb -0.09 -0.13 0.12 0.00 -2.06 0.00 0.00 37.83 35.68 2jqa s LYS 60 CO 0.02 0.03 1.32 -1.17 0.10 0.00 0.00 175.35 175.65 2jqa s LEU 61 N -0.47 -0.04 0.00 2.77 1.98 -1.24 -4.83 118.68 116.86 2jqa s LEU 61 Ca -0.03 -0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.09 2jqa s LEU 61 Cb -0.03 1.29 0.00 0.00 0.66 0.00 0.00 46.19 48.10 2jqa s LEU 61 CO -0.00 -0.23 0.00 0.52 -1.89 0.00 0.00 176.35 174.75 2jqa n VAL 62 N -0.55 0.00 -3.12 1.68 0.31 -1.26 -1.77 118.33 113.62 2jqa n VAL 62 Ca -0.07 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2jqa n VAL 62 Cb 0.62 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 2.29 -1.28 3.68 2.92 0.00 -1.26 -1.75 105.19 109.79 2jqa n GLY 63 Ca 0.00 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.03 3.55 0.42 4.61 0.00 -1.26 -4.37 121.76 123.68 2jqa s ALA 64 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.52 2jqa s ALA 64 Cb 0.00 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.43 2jqa s ALA 64 CO 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 175.76 175.52 2jqa s ALA 65 N 1.25 3.21 -0.28 0.00 0.00 -0.26 -4.69 121.76 120.99 2jqa s ALA 65 Ca 0.20 -1.69 -0.22 0.00 0.00 0.00 0.00 51.96 50.25 2jqa s ALA 65 Cb -0.15 0.29 0.11 0.00 0.00 0.00 0.00 23.12 23.37 2jqa s ALA 65 CO 0.08 -0.16 0.89 -0.08 0.00 0.00 0.00 175.76 176.49 2jqa s THR 66 N -2.92 0.00 -2.03 0.00 -1.32 -1.26 -1.90 115.64 106.20 2jqa s THR 66 Ca 0.27 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.85 2jqa s THR 66 Cb 0.07 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.32 2jqa s THR 66 CO 0.13 0.00 1.25 -0.81 -2.21 0.00 0.00 174.62 172.98 2jqa n PRO 67 N 2.94 1.58 0.09 7.08 -0.04 -1.26 -4.09 135.00 141.29 2jqa n PRO 67 Ca -0.15 -0.90 0.13 0.00 -0.04 0.00 0.00 63.50 62.54 2jqa n PRO 67 Cb 0.56 -1.22 0.46 0.00 -0.04 0.00 0.00 33.50 33.26 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 0.21 0.59 -4.90 1.53 4.77 -1.26 -4.74 117.00 113.20 2jqa n LEU 68 Ca 0.10 0.58 -0.29 0.00 -0.03 0.00 0.00 56.01 56.37 2jqa n LEU 68 Cb 0.22 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2jqa n LEU 68 CO 0.07 -0.23 0.68 0.00 -1.33 0.00 0.00 177.39 176.58 2jqa s ALA 69 N -3.12 3.01 0.04 -1.18 0.00 -1.26 -2.50 121.76 116.75 2jqa s ALA 69 Ca 0.10 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 2jqa s ALA 69 Cb 0.13 -2.86 -0.34 0.00 0.00 0.00 0.00 23.12 20.05 2jqa s ALA 69 CO 0.53 -1.10 1.02 1.15 0.00 0.00 0.00 175.76 177.35 2jqa h THR 70 N -0.55 1.32 -3.45 0.00 2.02 -0.90 -3.45 112.91 107.92 2jqa h THR 70 Ca -0.45 -2.78 -0.56 0.00 0.77 0.00 0.00 66.41 63.39 2jqa h THR 70 Cb 1.27 3.02 -0.39 0.00 -1.74 0.00 0.00 68.15 70.31 2jqa h THR 70 CO 0.63 0.83 -0.77 -0.44 0.37 0.00 0.00 175.52 176.13 2jqa s SER 71 N -7.49 3.40 0.21 4.18 0.01 -0.32 -5.04 113.70 108.66 2jqa s SER 71 Ca -0.08 -1.02 -0.30 0.00 1.31 0.00 0.00 55.95 55.86 2jqa s SER 71 Cb 0.05 -0.89 -0.08 0.00 0.21 0.00 0.00 66.02 65.31 2jqa s SER 71 CO 0.93 -0.28 1.11 -2.16 0.41 0.00 0.00 173.24 173.26 2jqa s PRO 72 N 1.62 4.60 -0.10 12.44 0.04 -1.26 -1.20 135.00 151.14 2jqa s PRO 72 Ca -0.03 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 2jqa s PRO 72 Cb -0.18 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.14 2jqa s PRO 72 CO -0.08 0.10 -0.06 1.41 0.04 0.00 0.00 177.00 178.41 2jqa s MET 73 N -0.68 1.32 -0.32 4.56 1.75 -0.50 -4.96 119.30 120.47 2jqa s MET 73 Ca 0.48 -0.18 -0.06 0.00 -1.25 0.00 0.00 55.69 54.68 2jqa s MET 73 Cb -0.31 -1.42 0.03 0.00 2.84 0.00 0.00 34.83 35.98 2jqa s MET 73 CO 0.37 -0.25 0.09 -0.48 -0.65 0.00 0.00 175.02 174.10 2jqa s LEU 74 N 1.66 4.16 0.26 4.11 -0.00 -1.26 -0.73 118.68 126.88 2jqa s LEU 74 Ca 0.03 -1.05 0.09 0.00 -0.00 0.00 0.00 54.13 53.20 2jqa s LEU 74 Cb -0.13 -1.86 -0.04 0.00 -0.00 0.00 0.00 46.19 44.17 2jqa s LEU 74 CO -0.07 -0.29 0.02 -0.32 -0.00 0.00 0.00 176.35 175.69 2jqa s MET 75 N 1.41 2.38 -0.28 1.48 1.75 0.29 -0.98 119.30 125.35 2jqa s MET 75 Ca -0.01 -1.35 -0.23 0.00 -1.25 0.00 0.00 55.69 52.85 2jqa s MET 75 Cb -0.19 -2.22 0.09 0.00 2.84 0.00 0.00 34.83 35.35 2jqa s MET 75 CO 0.02 0.38 0.82 -0.08 -0.65 0.00 0.00 175.02 175.51 2jqa s THR 76 N -2.25 0.00 -0.34 10.11 -1.32 -1.25 -1.50 115.64 119.10 2jqa s THR 76 Ca 0.31 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.95 2jqa s THR 76 Cb -0.07 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.35 2jqa s THR 76 CO 0.20 0.00 0.89 0.35 -2.21 0.00 0.00 174.62 173.86 2jqa n THR 77 N 2.83 0.63 -4.37 5.08 -2.24 -0.85 0.08 114.28 115.44 2jqa n THR 77 Ca -0.15 -3.46 -0.19 0.00 -2.27 0.00 0.00 64.05 57.99 2jqa n THR 77 Cb 0.56 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.10 2jqa n THR 77 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jqa s THR 78 N -2.84 1.20 -0.16 4.28 -1.32 -1.26 -4.68 115.64 110.86 2jqa s THR 78 Ca 0.31 -2.05 -0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2jqa s THR 78 Cb 0.43 -2.45 0.04 0.00 -1.51 0.00 0.00 72.50 69.00 2jqa s THR 78 CO 0.00 -0.26 -0.06 -1.00 -2.21 0.00 0.00 174.62 171.10 2jqa s HIS 79 N -3.30 1.68 0.00 9.09 0.09 -1.26 -2.92 115.29 118.67 2jqa s HIS 79 Ca 0.30 -1.04 0.00 0.00 -0.00 0.00 0.00 55.06 54.32 2jqa s HIS 79 Cb 0.06 -1.31 0.00 0.00 -0.00 0.00 0.00 32.58 31.33 2jqa s HIS 79 CO 0.11 -0.60 0.00 0.43 -0.00 0.00 0.00 174.74 174.67 2jqa n SER 80 N 4.88 0.58 0.08 1.40 7.64 0.40 -4.98 113.62 123.62 2jqa n SER 80 Ca -0.12 -0.45 -0.00 0.00 1.01 0.00 0.00 58.87 59.31 2jqa n SER 80 Cb 0.48 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.98 2jqa n SER 80 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jqa h GLY 81 N 0.00 0.34 0.00 0.23 0.00 -2.02 -3.35 103.07 98.28 2jqa h GLY 81 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2jqa h GLY 81 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.38 2jqa n GLY 82 N -0.61 0.51 2.82 4.60 0.00 -1.26 -5.08 105.19 106.18 2jqa n GLY 82 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jqa n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jqa s MET 83 N -0.18 -0.00 -0.16 1.61 1.00 -1.26 -5.11 119.30 115.20 2jqa s MET 83 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 55.69 55.48 2jqa s MET 83 Cb 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 34.83 34.81 2jqa s MET 83 CO 0.00 -0.08 0.98 0.00 0.00 0.00 0.00 175.02 175.92 2jqa s ALA 84 N 0.54 -1.93 0.00 3.03 0.00 -1.26 -0.45 121.76 121.69 2jqa s ALA 84 Ca -0.05 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2jqa s ALA 84 Cb -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2jqa s ALA 84 CO -0.01 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2jqa n GLY 85 N 0.82 -0.57 2.65 0.00 0.00 -1.15 -5.01 105.19 101.93 2jqa n GLY 85 Ca -0.11 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.35 0.28 0.00 1.61 0.00 -1.26 -4.48 119.30 115.09 2jqa s MET 86 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 55.69 55.44 2jqa s MET 86 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 34.83 32.95 2jqa s MET 86 CO 0.00 -0.69 0.00 0.36 0.00 0.00 0.00 175.02 174.69 2jqa n LYS 87 N 5.19 -1.71 -3.54 3.16 2.85 0.11 -4.90 118.16 119.32 2jqa n LYS 87 Ca -0.07 0.43 -0.29 0.00 -1.05 0.00 0.00 58.31 57.32 2jqa n LYS 87 Cb 0.48 -4.83 -0.13 0.00 -0.65 0.00 0.00 35.03 29.89 2jqa n LYS 87 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2jqa s MET 88 N -1.79 0.57 0.06 -1.58 -1.94 -1.26 -4.45 119.30 108.89 2jqa s MET 88 Ca 0.00 -1.18 0.00 0.00 -1.71 0.00 0.00 55.69 52.80 2jqa s MET 88 Cb 0.00 -1.47 0.00 0.00 2.01 0.00 0.00 34.83 35.37 2jqa s MET 88 CO 0.00 -1.13 0.00 0.28 -0.01 0.00 0.00 175.02 174.16 2jqa n VAL 89 N 4.38 -2.60 -1.84 -6.03 0.31 -0.15 -4.90 118.33 107.50 2jqa n VAL 89 Ca 0.05 0.51 -0.29 0.00 -0.01 0.00 0.00 64.34 64.60 2jqa n VAL 89 Cb 0.38 -1.84 0.08 0.00 -0.91 0.00 0.00 33.84 31.55 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 -3.30 2.22 0.05 5.55 0.04 -1.25 -4.63 135.00 133.68 2jqa s PRO 90 Ca 0.00 0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.34 2jqa s PRO 90 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2jqa s PRO 90 CO 0.00 -1.45 0.08 1.67 0.04 0.00 0.00 177.00 177.34 2jqa s TRP 91 N -3.45 3.22 -0.08 0.56 -2.14 -1.25 -4.56 118.94 111.24 2jqa s TRP 91 Ca 0.61 0.12 0.11 0.00 2.66 0.00 0.00 56.10 59.60 2jqa s TRP 91 Cb -0.12 -1.66 0.17 0.00 -3.10 0.00 0.00 33.47 28.76 2jqa s TRP 91 CO 0.51 0.53 1.09 -0.11 -2.66 0.00 0.00 176.95 176.30 2jqa n LEU 92 N 0.70 2.20 -4.51 -4.66 7.94 -0.72 -4.87 117.00 113.08 2jqa n LEU 92 Ca -0.10 -2.64 -0.43 0.00 -1.11 0.00 0.00 56.01 51.73 2jqa n LEU 92 Cb 0.52 -0.25 -0.06 0.00 0.53 0.00 0.00 43.42 44.16 2jqa n LEU 92 CO 0.42 0.62 0.47 -0.89 -1.11 0.00 0.00 177.39 176.90 2jqa s THR 93 N -2.10 4.73 -0.12 1.96 2.01 -1.24 -3.62 115.64 117.26 2jqa s THR 93 Ca 0.19 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 2jqa s THR 93 Cb 0.16 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2jqa s THR 93 CO 0.02 -0.72 0.10 -0.51 -0.69 0.00 0.00 174.62 172.82 2jqa s ILE 94 N 3.06 5.17 0.71 1.82 2.07 -0.35 -4.98 121.20 128.70 2jqa s ILE 94 Ca 0.24 0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.44 2jqa s ILE 94 Cb -0.14 -3.25 0.02 0.00 0.13 0.00 0.00 42.46 39.22 2jqa s ILE 94 CO 0.19 0.60 1.09 -2.16 -1.91 0.00 0.00 174.94 172.75 2jqa s PRO 95 N -0.82 2.64 -0.14 3.50 0.04 -1.26 -3.73 135.00 135.24 2jqa s PRO 95 Ca 0.13 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2jqa s PRO 95 Cb -0.12 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.32 2jqa s PRO 95 CO 0.03 -1.35 2.49 0.00 0.04 0.00 0.00 177.00 178.22 2jqa n ALA 96 N -2.95 4.59 0.00 8.56 0.00 -1.26 -2.20 120.51 127.25 2jqa n ALA 96 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2jqa n ALA 96 Cb 0.53 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2jqa n ALA 96 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jqa n ARG 97 N 2.86 0.00 -0.09 0.00 1.85 -1.26 -4.91 116.66 115.10 2jqa n ARG 97 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 2jqa n ARG 97 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jqa n GLY 98 N -0.03 0.36 2.68 2.89 0.00 -0.93 -5.04 105.19 105.11 2jqa n GLY 98 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 2jqa n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqa s THR 99 N 0.66 -0.24 -0.89 2.61 2.01 -1.26 -4.50 115.64 114.02 2jqa s THR 99 Ca 0.00 -0.91 -0.24 0.00 0.31 0.00 0.00 61.69 60.86 2jqa s THR 99 Cb 0.00 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.67 2jqa s THR 99 CO 0.00 -0.63 1.30 -0.22 -0.69 0.00 0.00 174.62 174.38 2jqa s LEU 100 N 1.78 3.72 0.25 4.42 0.20 -0.88 -4.99 118.68 123.19 2jqa s LEU 100 Ca 0.13 -1.20 -0.19 0.00 0.69 0.00 0.00 54.13 53.57 2jqa s LEU 100 Cb -0.16 -2.53 -0.08 0.00 -0.43 0.00 0.00 46.19 42.99 2jqa s LEU 100 CO -0.17 -1.53 0.73 -0.89 -0.29 0.00 0.00 176.35 174.19 2jqa s THR 101 N 4.78 4.59 -0.20 3.68 2.01 -1.26 -1.16 115.64 128.07 2jqa s THR 101 Ca 0.38 1.20 -0.04 0.00 0.31 0.00 0.00 61.69 63.55 2jqa s THR 101 Cb -0.05 -3.79 0.08 0.00 0.01 0.00 0.00 72.50 68.76 2jqa s THR 101 CO -0.01 0.09 0.18 -0.76 -0.69 0.00 0.00 174.62 173.43 2jqa s LEU 102 N -2.26 0.07 0.22 4.42 1.02 -0.20 -4.80 118.68 117.14 2jqa s LEU 102 Ca 0.46 -0.43 -0.00 0.00 0.02 0.00 0.00 54.13 54.18 2jqa s LEU 102 Cb -0.15 0.14 -0.04 0.00 0.02 0.00 0.00 46.19 46.16 2jqa s LEU 102 CO 0.20 -0.34 0.11 -1.10 0.02 0.00 0.00 176.35 175.24 2jqa s GLN 103 N 2.25 1.27 0.59 1.70 -1.52 0.11 -1.47 119.66 122.60 2jqa s GLN 103 Ca 0.06 -1.68 0.30 0.00 -1.95 0.00 0.00 55.36 52.09 2jqa s GLN 103 Cb -0.16 0.06 1.31 0.00 -0.22 0.00 0.00 33.01 34.01 2jqa s GLN 103 CO -0.13 -0.35 1.66 0.07 -0.25 0.00 0.00 175.29 176.28 2jqa h ARG 104 N 2.54 0.00 -0.73 2.91 0.11 -1.87 -1.16 114.38 116.18 2jqa h ARG 104 Ca -0.37 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.59 2jqa h ARG 104 Cb 1.25 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.26 2jqa h ARG 104 CO 0.56 0.00 0.15 -3.47 0.10 0.00 0.00 179.97 177.32 2jqa n ASP 105 N -3.61 4.80 0.00 0.08 2.03 -1.26 -4.87 116.55 113.72 2jqa n ASP 105 Ca 0.18 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.51 2jqa n ASP 105 Cb 1.13 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2jqa n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqa n GLY 106 N 0.15 -1.46 3.65 0.27 0.00 -0.48 -4.87 105.19 102.44 2jqa n GLY 106 Ca 0.32 0.75 -0.38 0.00 0.00 0.00 0.00 46.02 46.71 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 2.00 6.37 0.13 1.61 1.11 -0.92 -2.00 116.67 124.97 2jqa s ASP 107 Ca 0.00 0.43 -0.25 0.00 0.18 0.00 0.00 52.55 52.92 2jqa s ASP 107 Cb 0.00 -2.22 0.07 0.00 1.07 0.00 0.00 42.92 41.84 2jqa s ASP 107 CO 0.00 -0.12 0.71 -1.38 1.18 0.00 0.00 175.17 175.56 2jqa s HIS 108 N 1.61 -0.43 -0.16 4.23 -3.43 -0.56 0.08 115.29 116.63 2jqa s HIS 108 Ca 0.18 0.21 -0.08 0.00 -0.80 0.00 0.00 55.06 54.57 2jqa s HIS 108 Cb -0.15 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.53 2jqa s HIS 108 CO 0.08 -0.80 0.12 0.54 -2.00 0.00 0.00 174.74 172.68 2jqa s VAL 109 N -3.57 5.34 0.09 -5.38 0.11 -1.23 -0.55 120.40 115.21 2jqa s VAL 109 Ca 0.04 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 2jqa s VAL 109 Cb -0.01 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 2jqa s VAL 109 CO -0.09 0.53 0.08 -0.04 -3.33 0.00 0.00 175.10 172.25 2jqa s MET 110 N -0.28 2.88 -0.73 1.54 -1.94 0.09 -1.36 119.30 119.49 2jqa s MET 110 Ca 0.11 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.31 2jqa s MET 110 Cb -0.12 -2.71 0.19 0.00 2.01 0.00 0.00 34.83 34.20 2jqa s MET 110 CO 0.01 0.55 0.60 -0.51 -0.01 0.00 0.00 175.02 175.66 2jqa s LEU 111 N -2.48 5.78 0.00 -0.03 1.02 0.38 -1.41 118.68 121.94 2jqa s LEU 111 Ca 0.29 -2.93 -0.25 0.00 0.02 0.00 0.00 54.13 51.27 2jqa s LEU 111 Cb -0.12 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 2jqa s LEU 111 CO 0.22 -0.41 0.77 -0.32 0.02 0.00 0.00 176.35 176.63 2jqa s MET 112 N -0.18 4.48 -1.12 1.70 1.75 -0.34 -3.09 119.30 122.50 2jqa s MET 112 Ca 0.19 1.04 -0.02 0.00 -1.25 0.00 0.00 55.69 55.64 2jqa s MET 112 Cb -0.15 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 34.12 2jqa s MET 112 CO -0.06 0.17 0.95 0.41 -0.65 0.00 0.00 175.02 175.84 2jqa n GLY 113 N 2.69 -0.31 3.70 2.11 0.00 -1.10 -1.17 105.19 111.11 2jqa n GLY 113 Ca -0.01 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.03 4.82 -0.07 0.99 0.00 0.08 -1.32 117.00 117.47 2jqa n LEU 114 Ca -0.18 0.96 -0.09 0.00 0.00 0.00 0.00 56.01 56.70 2jqa n LEU 114 Cb 0.62 -1.52 -0.07 0.00 0.00 0.00 0.00 43.42 42.45 2jqa n LEU 114 CO 0.56 -0.92 -0.96 0.29 0.00 0.00 0.00 177.39 176.36 2jqa n LYS 115 N -0.84 0.74 -3.67 1.96 5.02 -1.04 -4.60 118.16 115.72 2jqa n LYS 115 Ca 0.11 0.07 -0.25 0.00 -2.02 0.00 0.00 58.31 56.21 2jqa n LYS 115 Cb 0.44 -1.29 -0.17 0.00 -0.02 0.00 0.00 35.03 33.99 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jqa s ARG 116 N -2.29 0.25 0.67 1.97 3.00 -1.26 -5.11 118.95 116.18 2jqa s ARG 116 Ca -0.17 -0.05 -0.12 0.00 -1.00 0.00 0.00 55.73 54.38 2jqa s ARG 116 Cb 0.05 -1.54 -0.00 0.00 0.00 0.00 0.00 34.95 33.45 2jqa s ARG 116 CO 0.37 -0.55 1.06 -1.25 0.00 0.00 0.00 175.30 174.93 2jqa s PRO 117 N 2.05 3.01 0.03 5.12 0.04 -1.26 -5.07 135.00 138.92 2jqa s PRO 117 Ca 0.02 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.14 2jqa s PRO 117 Cb -0.15 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2jqa s PRO 117 CO -0.07 -1.05 -0.05 -0.51 0.04 0.00 0.00 177.00 175.36 2jqa s LEU 118 N -5.21 2.20 0.49 -3.56 1.43 -1.26 -5.09 118.68 107.69 2jqa s LEU 118 Ca 0.60 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 53.04 2jqa s LEU 118 Cb -0.15 -0.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.92 2jqa s LEU 118 CO 0.49 -0.18 1.35 -0.75 0.23 0.00 0.00 176.35 177.48 2jqa s LYS 119 N -1.22 3.46 0.61 1.70 2.20 -1.26 -4.45 119.74 120.78 2jqa s LYS 119 Ca -0.10 2.22 0.23 0.00 -0.36 0.00 0.00 55.97 57.96 2jqa s LYS 119 Cb -0.08 -2.44 1.25 0.00 -1.51 0.00 0.00 37.83 35.05 2jqa s LYS 119 CO -0.00 -0.93 1.69 0.28 -0.36 0.00 0.00 175.35 176.03 2jqa h VAL 120 N 1.85 0.00 0.00 4.02 2.07 -1.96 0.50 116.25 122.73 2jqa h VAL 120 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2jqa h VAL 120 Cb 1.28 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2jqa h VAL 120 CO 0.59 0.00 -0.12 0.61 0.02 0.00 0.00 177.57 178.67 2jqa n GLY 121 N -1.27 1.38 3.81 2.17 0.00 -1.25 -1.39 105.19 108.64 2jqa n GLY 121 Ca -0.02 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.98 2.91 0.19 1.61 2.12 0.16 -4.62 118.70 120.11 2jqa s GLU 122 Ca 0.08 1.04 -0.23 0.00 0.36 0.00 0.00 54.97 56.22 2jqa s GLU 122 Cb 0.07 -1.98 -0.08 0.00 0.26 0.00 0.00 34.13 32.39 2jqa s GLU 122 CO 0.01 -1.12 0.77 0.99 -0.54 0.00 0.00 175.26 175.36 2jqa s THR 123 N -2.89 4.43 0.04 -1.70 2.01 -1.26 -0.27 115.64 115.99 2jqa s THR 123 Ca 0.60 1.56 -0.09 0.00 0.31 0.00 0.00 61.69 64.07 2jqa s THR 123 Cb -0.15 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.34 2jqa s THR 123 CO 0.51 0.39 0.19 0.54 -0.69 0.00 0.00 174.62 175.56 2jqa s VAL 124 N -1.31 0.11 -0.08 3.82 0.11 0.41 -4.93 120.40 118.53 2jqa s VAL 124 Ca 0.39 -0.90 -0.15 0.00 -2.93 0.00 0.00 61.98 58.39 2jqa s VAL 124 Cb -0.20 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 2jqa s VAL 124 CO 0.24 -0.50 0.37 0.20 -3.33 0.00 0.00 175.10 172.08 2jqa s ASN 125 N -2.06 6.65 0.11 3.54 0.01 -1.26 -1.00 114.94 120.93 2jqa s ASN 125 Ca -0.05 0.77 -0.04 0.00 -0.71 0.00 0.00 52.86 52.83 2jqa s ASN 125 Cb -0.01 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 2jqa s ASN 125 CO -0.04 0.21 0.09 -0.51 -1.51 0.00 0.00 177.10 175.34 2jqa s ILE 126 N -0.31 0.13 -0.13 0.60 2.07 -0.25 -4.90 121.20 118.41 2jqa s ILE 126 Ca 0.22 -1.68 0.02 0.00 -1.41 0.00 0.00 60.65 57.79 2jqa s ILE 126 Cb -0.15 -1.77 0.01 0.00 0.13 0.00 0.00 42.46 40.69 2jqa s ILE 126 CO 0.09 -0.60 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.45 2jqa s THR 127 N -3.97 1.78 -0.51 4.00 2.01 -0.80 -0.55 115.64 117.60 2jqa s THR 127 Ca 0.16 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.42 2jqa s THR 127 Cb 0.06 -1.60 0.22 0.00 0.01 0.00 0.00 72.50 71.20 2jqa s THR 127 CO -0.03 0.50 0.55 0.18 -0.69 0.00 0.00 174.62 175.12 2jqa n LEU 128 N 4.26 1.54 -4.66 4.42 4.32 -0.46 -1.10 117.00 125.33 2jqa n LEU 128 Ca -0.19 -4.94 -0.43 0.00 -0.02 0.00 0.00 56.01 50.44 2jqa n LEU 128 Cb 0.51 0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.32 2jqa n LEU 128 CO 0.25 1.99 1.19 -0.75 -1.22 0.00 0.00 177.39 178.85 2jqa s LYS 129 N -1.40 4.16 0.34 3.23 2.36 -1.26 -2.99 119.74 124.18 2jqa s LYS 129 Ca 0.35 1.78 -0.28 0.00 -2.55 0.00 0.00 55.97 55.27 2jqa s LYS 129 Cb 0.11 -3.86 -0.09 0.00 -1.05 0.00 0.00 37.83 32.94 2jqa s LYS 129 CO -0.10 -0.82 1.19 0.00 1.55 0.00 0.00 175.35 177.16 2jqa s ALA 130 N 3.86 3.35 -1.08 3.13 0.00 -1.25 -4.53 121.76 125.24 2jqa s ALA 130 Ca 0.62 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.67 2jqa s ALA 130 Cb -0.25 -3.39 0.27 0.00 0.00 0.00 0.00 23.12 19.74 2jqa s ALA 130 CO 0.21 -0.44 1.16 -2.37 0.00 0.00 0.00 175.76 174.32 2jqa n THR 131 N 0.68 1.46 -2.73 0.00 5.66 -1.26 -2.39 114.28 115.69 2jqa n THR 131 Ca 0.01 0.36 -0.08 0.00 -3.05 0.00 0.00 64.05 61.30 2jqa n THR 131 Cb 0.44 -1.26 0.07 0.00 -1.55 0.00 0.00 70.33 68.03 2jqa n THR 131 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2jqa n ASP 132 N -1.46 -2.51 0.00 1.09 2.03 -1.26 -5.16 116.55 109.28 2jqa n ASP 132 Ca 0.02 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.15 2jqa n ASP 132 Cb 0.07 1.71 0.00 0.00 -0.72 0.00 0.00 41.12 42.18 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 1.24 -0.83 3.00 0.27 0.00 -1.01 -5.13 105.19 102.72 2jqa n GLY 133 Ca 0.07 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 2jqa n GLY 133 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jqa s ARG 134 N -1.01 1.63 0.00 1.61 3.52 -1.26 -3.87 118.95 119.58 2jqa s ARG 134 Ca 0.00 -1.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.06 2jqa s ARG 134 Cb 0.00 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2jqa s ARG 134 CO 0.00 -0.80 0.09 2.41 -0.81 0.00 0.00 175.30 176.19 2jqa n THR 135 N 4.41 0.00 0.00 4.11 -1.04 -1.26 -4.90 114.28 115.60 2jqa n THR 135 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2jqa n THR 135 Cb 0.42 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 2jqa n THR 135 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jqa n LEU 136 N 0.00 0.00 -4.59 -4.42 -0.00 -1.16 -3.71 117.00 103.12 2jqa n LEU 136 Ca 0.00 0.31 -0.41 0.00 -0.00 0.00 0.00 56.01 55.90 2jqa n LEU 136 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.75 2jqa n LEU 136 CO 0.00 0.00 1.87 0.21 -0.00 0.00 0.00 177.39 179.47 2jqa s ASN 137 N -2.63 5.25 0.00 1.45 2.47 -1.26 -1.35 114.94 118.86 2jqa s ASN 137 Ca 0.00 1.66 0.07 0.00 0.42 0.00 0.00 52.86 55.02 2jqa s ASN 137 Cb 0.00 -2.51 -0.03 0.00 -1.45 0.00 0.00 41.25 37.27 2jqa s ASN 137 CO 0.00 -2.16 -0.22 -0.69 -3.72 0.00 0.00 177.10 170.31 2jqa s VAL 138 N 9.11 2.40 0.09 -5.21 1.01 0.29 -4.98 120.40 123.12 2jqa s VAL 138 Ca 0.98 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 2jqa s VAL 138 Cb -0.29 -1.91 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2jqa s VAL 138 CO 0.33 0.48 0.75 0.00 0.00 0.00 0.00 175.10 176.66 2jqa s ALA 139 N -0.74 3.42 0.30 5.51 0.00 -1.26 -1.09 121.76 127.89 2jqa s ALA 139 Ca 0.12 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 2jqa s ALA 139 Cb -0.10 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2jqa s ALA 139 CO 0.01 0.18 0.43 0.00 0.00 0.00 0.00 175.76 176.38 2jqa s ALA 140 N -0.58 0.53 0.05 0.00 0.00 -0.17 -4.93 121.76 116.67 2jqa s ALA 140 Ca 0.36 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2jqa s ALA 140 Cb -0.21 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 2jqa s ALA 140 CO 0.24 -0.78 -0.05 0.99 0.00 0.00 0.00 175.76 176.16 2jqa s THR 141 N -3.49 0.37 -0.07 0.00 2.01 -0.45 -0.45 115.64 113.56 2jqa s THR 141 Ca 0.29 -1.43 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 2jqa s THR 141 Cb 0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2jqa s THR 141 CO 0.16 -0.69 0.04 -0.69 -0.69 0.00 0.00 174.62 172.75 2jqa s VAL 142 N -2.60 4.63 -0.43 3.82 1.01 0.62 -0.73 120.40 126.72 2jqa s VAL 142 Ca -0.02 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2jqa s VAL 142 Cb -0.02 -3.00 0.22 0.00 0.00 0.00 0.00 36.38 33.58 2jqa s VAL 142 CO -0.04 0.55 0.57 0.29 0.00 0.00 0.00 175.10 176.47 2jqa n LYS 143 N 1.90 0.56 0.00 2.72 4.01 -1.13 -3.74 118.16 122.48 2jqa n LYS 143 Ca -0.18 -2.78 0.00 0.00 -0.51 0.00 0.00 58.31 54.85 2jqa n LYS 143 Cb 0.54 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.64 2jqa n LYS 143 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2jqa n LYS 144 N 2.04 0.00 -0.19 1.97 4.81 -0.49 -4.78 118.16 121.51 2jqa n LYS 144 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2jqa n LYS 144 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 2jqa n LYS 144 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2jqa n ASN 145 N -3.10 0.00 0.00 3.14 6.94 -1.26 -1.26 115.26 119.72 2jqa n ASN 145 Ca 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 2jqa n ASN 145 Cb 0.00 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 2jqa n ASN 145 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2jqa n ILE 146 N 0.00 0.00 0.12 1.53 5.41 -1.26 -4.64 119.36 120.52 2jqa n ILE 146 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 2jqa n ILE 146 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.40 2jqa n ILE 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2jqa h GLU 147 N 0.40 -0.38 -2.78 0.38 4.81 -1.96 -3.50 114.58 111.54 2jqa h GLU 147 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jqa h GLU 147 Cb 0.00 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2jqa h GLU 147 CO 0.00 -0.12 -0.17 0.41 -0.73 0.00 0.00 179.01 178.40 2jqa n GLY 148 N 0.55 -3.22 0.00 1.92 0.00 -1.26 -5.26 105.19 97.92 2jqa n GLY 148 Ca -0.07 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.70 2jqa n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36