#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqa s GLY 2 N 0.00 1.66 0.03 3.03 0.00 -1.26 -5.10 107.32 105.68 2jqa s GLY 2 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 2jqa s GLY 2 CO 0.00 0.18 0.27 -2.38 0.00 0.00 0.00 173.10 171.17 2jqa s HIS 3 N -3.19 -0.07 0.00 1.90 0.00 -1.26 -5.18 115.29 107.49 2jqa s HIS 3 Ca 0.56 -0.04 0.00 0.00 -3.00 0.00 0.00 55.06 52.58 2jqa s HIS 3 Cb -0.11 0.06 0.00 0.00 -4.00 0.00 0.00 32.58 28.53 2jqa s HIS 3 CO 0.54 -0.46 0.00 0.25 -1.00 0.00 0.00 174.74 174.07 2jqa n THR 4 N 0.77 0.00 -3.83 -5.38 -2.24 -1.26 -5.18 114.28 97.16 2jqa n THR 4 Ca -0.19 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 2jqa n THR 4 Cb 0.58 -1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 2jqa n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqa s MET 5 N -0.83 1.48 0.69 -0.78 0.00 -1.26 -5.18 119.30 113.42 2jqa s MET 5 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 55.69 54.60 2jqa s MET 5 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 34.83 35.37 2jqa s MET 5 CO 0.00 -0.63 1.06 -1.25 0.00 0.00 0.00 175.02 174.20 2jqa s PRO 6 N -3.92 2.75 0.53 3.16 0.04 -1.26 -5.12 135.00 131.18 2jqa s PRO 6 Ca 0.13 0.29 0.04 0.00 0.04 0.00 0.00 61.00 61.50 2jqa s PRO 6 Cb -0.02 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2jqa s PRO 6 CO 0.02 -1.03 0.22 0.00 0.04 0.00 0.00 177.00 176.25 2jqa s ALA 7 N -3.30 4.30 0.05 8.56 0.00 -1.26 -5.18 121.76 124.93 2jqa s ALA 7 Ca 0.58 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 2jqa s ALA 7 Cb -0.11 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2jqa s ALA 7 CO 0.50 -0.26 0.10 -2.39 0.00 0.00 0.00 175.76 173.71 2jqa n HIS 8 N -1.54 -1.05 -3.65 0.00 1.44 -1.26 -5.20 115.22 103.95 2jqa n HIS 8 Ca -0.10 -0.28 -0.15 0.00 -2.01 0.00 0.00 57.72 55.18 2jqa n HIS 8 Cb 0.65 0.12 -0.08 0.00 0.12 0.00 0.00 29.99 30.81 2jqa n HIS 8 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 2jqa s THR 9 N -2.78 0.03 0.77 0.61 -1.32 -1.26 -5.18 115.64 106.51 2jqa s THR 9 Ca 0.03 -0.24 -0.11 0.00 -1.21 0.00 0.00 61.69 60.15 2jqa s THR 9 Cb -0.01 -0.78 0.06 0.00 -1.51 0.00 0.00 72.50 70.26 2jqa s THR 9 CO 0.02 -0.13 1.09 -2.16 -2.21 0.00 0.00 174.62 171.22 2jqa s PRO 10 N -1.17 2.27 0.83 7.08 0.04 -1.26 -5.10 135.00 137.69 2jqa s PRO 10 Ca -0.12 0.72 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 2jqa s PRO 10 Cb -0.03 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.72 2jqa s PRO 10 CO 0.06 -1.51 1.16 -1.25 0.04 0.00 0.00 177.00 175.51 2jqa s PRO 11 N -5.13 1.33 0.00 0.56 0.04 -1.26 -5.13 135.00 125.41 2jqa s PRO 11 Ca 0.60 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.11 2jqa s PRO 11 Cb -0.14 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2jqa s PRO 11 CO 0.54 -1.85 0.00 0.00 0.04 0.00 0.00 177.00 175.73 2jqa n ALA 12 N -3.31 0.00 -3.38 8.56 0.00 -1.26 -5.17 120.51 115.95 2jqa n ALA 12 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 2jqa n ALA 12 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 2jqa n ALA 12 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2jqa s GLN 13 N -1.38 1.12 0.02 0.00 -2.07 -1.26 -5.18 119.66 110.91 2jqa s GLN 13 Ca 0.00 -0.20 0.07 0.00 -1.82 0.00 0.00 55.36 53.41 2jqa s GLN 13 Cb 0.00 0.52 -0.03 0.00 -1.09 0.00 0.00 33.01 32.41 2jqa s GLN 13 CO 0.00 -0.42 -0.18 0.95 -1.32 0.00 0.00 175.29 174.32 2jqa s THR 14 N -2.58 2.75 0.29 3.63 -4.23 -1.26 -5.14 115.64 109.11 2jqa s THR 14 Ca -0.04 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 59.22 2jqa s THR 14 Cb -0.01 -2.13 -0.09 0.00 1.34 0.00 0.00 72.50 71.62 2jqa s THR 14 CO -0.03 0.40 0.70 0.00 -0.54 0.00 0.00 174.62 175.16 2jqa s ALA 15 N -0.86 3.38 0.85 3.99 0.00 -1.26 -5.09 121.76 122.77 2jqa s ALA 15 Ca 0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.97 2jqa s ALA 15 Cb -0.10 -2.71 0.10 0.00 0.00 0.00 0.00 23.12 20.41 2jqa s ALA 15 CO 0.04 0.37 1.09 -1.25 0.00 0.00 0.00 175.76 176.01 2jqa s PRO 16 N -2.85 1.61 0.05 0.00 0.04 -1.26 -5.07 135.00 127.52 2jqa s PRO 16 Ca 0.52 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2jqa s PRO 16 Cb -0.11 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2jqa s PRO 16 CO 0.18 -2.00 0.18 0.00 0.04 0.00 0.00 177.00 175.41 2jqa s ALA 17 N -2.98 3.93 0.75 8.56 0.00 -1.26 -5.13 121.76 125.63 2jqa s ALA 17 Ca 0.62 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2jqa s ALA 17 Cb -0.17 -1.77 0.04 0.00 0.00 0.00 0.00 23.12 21.22 2jqa s ALA 17 CO 0.56 0.81 1.12 0.00 0.00 0.00 0.00 175.76 178.24 2jqa s ALA 18 N -1.46 2.66 -0.10 0.00 0.00 -1.26 -5.12 121.76 116.48 2jqa s ALA 18 Ca 0.33 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.67 2jqa s ALA 18 Cb -0.13 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.02 2jqa s ALA 18 CO 0.26 -1.42 0.58 -1.14 0.00 0.00 0.00 175.76 174.04 2jqa s GLN 19 N -5.36 0.85 0.50 0.00 0.74 -1.26 -5.19 119.66 109.94 2jqa s GLN 19 Ca 0.60 0.37 -0.08 0.00 0.05 0.00 0.00 55.36 56.29 2jqa s GLN 19 Cb -0.12 0.40 0.12 0.00 1.10 0.00 0.00 33.01 34.51 2jqa s GLN 19 CO 0.52 -0.21 0.61 1.63 -0.55 0.00 0.00 175.29 177.28 2jqa n LYS 20 N 1.63 -0.97 -3.72 1.67 5.02 -1.26 -4.73 118.16 115.80 2jqa n LYS 20 Ca -0.18 -0.95 -0.10 0.00 -2.02 0.00 0.00 58.31 55.07 2jqa n LYS 20 Cb 0.56 -0.69 -0.04 0.00 -0.02 0.00 0.00 35.03 34.85 2jqa n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jqa s ALA 21 N -3.75 -0.86 -0.42 7.82 0.00 -1.26 -5.10 121.76 118.19 2jqa s ALA 21 Ca 0.35 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 2jqa s ALA 21 Cb -0.02 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.96 2jqa s ALA 21 CO 0.25 -0.74 0.30 0.20 0.00 0.00 0.00 175.76 175.77 2jqa s GLY 22 N -2.86 2.00 0.71 0.00 0.00 -1.26 -5.08 107.32 100.82 2jqa s GLY 22 Ca 0.08 -1.91 -0.04 0.00 0.00 0.00 0.00 44.72 42.86 2jqa s GLY 22 CO -0.05 0.95 0.97 0.00 0.00 0.00 0.00 173.10 174.97 2jqa n ALA 23 N 5.10 -0.22 -3.68 3.20 0.00 -1.26 -5.15 120.51 118.51 2jqa n ALA 23 Ca -0.11 -1.71 -0.09 0.00 0.00 0.00 0.00 53.44 51.53 2jqa n ALA 23 Cb 0.45 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 2jqa n ALA 23 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2jqa s GLN 24 N -5.03 1.56 0.29 0.00 -2.07 -1.26 -5.17 119.66 107.98 2jqa s GLN 24 Ca 0.61 -0.77 -0.20 0.00 -1.82 0.00 0.00 55.36 53.18 2jqa s GLN 24 Cb -0.03 0.59 -0.09 0.00 -1.09 0.00 0.00 33.01 32.39 2jqa s GLN 24 CO 0.41 -0.70 0.80 0.00 -1.32 0.00 0.00 175.29 174.48 2jqa s ALA 25 N -3.82 3.31 -0.01 2.60 0.00 -1.26 -5.10 121.76 117.48 2jqa s ALA 25 Ca 0.07 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2jqa s ALA 25 Cb -0.04 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2jqa s ALA 25 CO -0.01 0.27 0.11 -0.51 0.00 0.00 0.00 175.76 175.62 2jqa s LEU 26 N -2.33 1.66 -1.12 0.00 1.43 -1.26 -5.07 118.68 111.99 2jqa s LEU 26 Ca 0.49 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 2jqa s LEU 26 Cb -0.15 0.53 -0.06 0.00 0.03 0.00 0.00 46.19 46.54 2jqa s LEU 26 CO 0.20 -0.29 1.97 -0.81 0.23 0.00 0.00 176.35 177.65 2jqa n PRO 27 N 1.80 2.13 -3.58 1.29 -0.04 -1.26 -4.80 135.00 130.54 2jqa n PRO 27 Ca -0.21 -2.40 -0.15 0.00 -0.04 0.00 0.00 63.50 60.69 2jqa n PRO 27 Cb 0.56 -3.28 -0.07 0.00 -0.04 0.00 0.00 33.50 30.67 2jqa n PRO 27 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jqa s VAL 28 N 5.77 0.00 0.37 0.52 0.11 -1.26 -4.84 120.40 121.07 2jqa s VAL 28 Ca 0.57 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.61 2jqa s VAL 28 Cb 0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2jqa s VAL 28 CO 0.07 0.00 0.59 -0.89 -3.33 0.00 0.00 175.10 171.53 2jqa s THR 29 N -0.30 5.02 0.05 5.04 2.01 -1.23 -5.10 115.64 121.13 2jqa s THR 29 Ca -0.04 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 2jqa s THR 29 Cb -0.03 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2jqa s THR 29 CO 0.04 -0.59 0.11 0.68 -0.69 0.00 0.00 174.62 174.18 2jqa s VAL 30 N -2.39 0.14 0.46 3.82 -7.23 -1.26 -3.76 120.40 110.19 2jqa s VAL 30 Ca 0.41 -1.19 0.24 0.00 -1.81 0.00 0.00 61.98 59.64 2jqa s VAL 30 Cb -0.10 -1.08 0.43 0.00 0.56 0.00 0.00 36.38 36.20 2jqa s VAL 30 CO 0.37 -0.66 1.84 0.06 -0.31 0.00 0.00 175.10 176.40 2jqa h GLN 31 N 3.37 0.23 0.00 4.82 3.07 -1.88 -3.46 115.11 121.26 2jqa h GLN 31 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.40 2jqa h GLN 31 Cb 1.18 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.69 2jqa h GLN 31 CO 0.54 0.15 0.00 0.41 0.09 0.00 0.00 178.83 180.02 2jqa n GLY 32 N -1.59 0.98 0.45 0.06 0.00 -1.26 -4.42 105.19 99.41 2jqa n GLY 32 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2jqa n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa n ALA 33 N 0.00 -2.72 -3.57 4.61 0.00 -1.26 -4.42 120.51 113.14 2jqa n ALA 33 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2jqa n ALA 33 Cb 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.00 1.42 0.09 0.00 2.01 -0.83 -2.22 115.64 116.12 2jqa s THR 34 Ca 0.00 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 2jqa s THR 34 Cb 0.00 -1.30 -0.07 0.00 0.01 0.00 0.00 72.50 71.14 2jqa s THR 34 CO 0.00 0.42 0.61 -0.69 -0.69 0.00 0.00 174.62 174.27 2jqa s VAL 35 N 0.87 4.67 -0.54 3.82 1.01 -0.26 -1.28 120.40 128.69 2jqa s VAL 35 Ca -0.09 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.90 2jqa s VAL 35 Cb -0.15 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2jqa s VAL 35 CO 0.01 0.54 1.34 0.00 0.00 0.00 0.00 175.10 176.98 2jqa s ALA 36 N -1.13 2.92 0.21 5.51 0.00 -0.00 -0.67 121.76 128.60 2jqa s ALA 36 Ca 0.31 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2jqa s ALA 36 Cb -0.20 -4.04 -0.16 0.00 0.00 0.00 0.00 23.12 18.71 2jqa s ALA 36 CO 0.20 -2.73 0.73 0.00 0.00 0.00 0.00 175.76 173.97 2jqa n ALA 37 N 9.03 -2.03 -2.81 0.00 0.00 -0.68 -4.62 120.51 119.41 2jqa n ALA 37 Ca 0.12 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.90 2jqa n ALA 37 Cb 0.49 -1.76 -0.10 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 -0.91 0.12 0.69 0.00 -7.23 -1.25 -4.41 120.40 107.41 2jqa s VAL 38 Ca 0.65 -1.02 -0.13 0.00 -1.81 0.00 0.00 61.98 59.66 2jqa s VAL 38 Cb -0.88 -0.72 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2jqa s VAL 38 CO 0.57 -0.56 1.09 -2.16 -0.31 0.00 0.00 175.10 173.72 2jqa s PRO 39 N -2.22 2.76 0.29 4.82 0.04 -1.26 -4.75 135.00 134.68 2jqa s PRO 39 Ca -0.08 1.22 0.22 0.00 0.04 0.00 0.00 61.00 62.40 2jqa s PRO 39 Cb -0.04 -1.96 1.08 0.00 0.04 0.00 0.00 34.50 33.63 2jqa s PRO 39 CO -0.03 -1.26 1.68 -0.35 0.04 0.00 0.00 177.00 177.09 2jqa n PRO 40 N -2.79 0.17 -0.00 0.56 -0.04 -1.26 -0.65 135.00 130.98 2jqa n PRO 40 Ca 0.09 0.54 0.15 0.00 -0.04 0.00 0.00 63.50 64.25 2jqa n PRO 40 Cb 0.53 -1.92 0.84 0.00 -0.04 0.00 0.00 33.50 32.91 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 -2.25 0.35 -3.90 3.54 2.88 -1.26 -4.68 113.62 108.30 2jqa n SER 41 Ca 0.00 -1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 56.11 2jqa n SER 41 Cb 0.12 -0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.43 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 -2.00 1.38 -0.34 2.46 -1.09 0.17 -5.02 121.20 116.77 2jqa s ILE 42 Ca 0.45 -1.19 0.07 0.00 -2.23 0.00 0.00 60.65 57.74 2jqa s ILE 42 Cb 0.21 -1.72 0.47 0.00 -1.58 0.00 0.00 42.46 39.84 2jqa s ILE 42 CO 0.36 -0.18 1.40 0.54 -1.23 0.00 0.00 174.94 175.83 2jqa n ARG 43 N 4.72 2.67 -3.86 2.79 1.74 -1.26 -4.54 116.66 118.91 2jqa n ARG 43 Ca -0.10 -3.63 -0.16 0.00 -0.77 0.00 0.00 57.85 53.19 2jqa n ARG 43 Cb 0.44 -2.05 -0.16 0.00 -1.02 0.00 0.00 32.46 29.67 2jqa n ARG 43 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jqa s ASP 44 N -2.98 0.23 0.00 0.55 2.15 -1.26 -2.11 116.67 113.25 2jqa s ASP 44 Ca 0.49 0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.48 2jqa s ASP 44 Cb 0.42 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 2jqa s ASP 44 CO 0.00 -0.10 0.00 1.07 -0.17 0.00 0.00 175.17 175.98 2jqa n THR 45 N 4.01 0.00 -4.20 1.71 5.66 -1.26 -5.00 114.28 115.21 2jqa n THR 45 Ca -0.26 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.63 2jqa n THR 45 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.29 1.13 0.06 1.79 0.00 -1.26 -0.19 121.76 122.00 2jqa s ALA 46 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.55 2jqa s ALA 46 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2jqa s ALA 46 CO 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 175.76 175.40 2jqa s ALA 47 N -3.63 0.80 0.12 0.00 0.00 -0.05 -0.82 121.76 118.18 2jqa s ALA 47 Ca 0.17 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2jqa s ALA 47 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2jqa s ALA 47 CO -0.01 0.03 -0.17 0.71 0.00 0.00 0.00 175.76 176.31 2jqa s TYR 48 N -1.50 1.62 0.07 0.00 2.02 -0.40 -3.13 117.35 116.03 2jqa s TYR 48 Ca -0.06 -0.48 -0.15 0.00 -0.37 0.00 0.00 57.07 56.02 2jqa s TYR 48 Cb -0.09 -0.85 0.03 0.00 -0.40 0.00 0.00 41.96 40.64 2jqa s TYR 48 CO 0.01 0.21 0.35 -1.64 -1.57 0.00 0.00 175.55 172.90 2jqa s MET 49 N -2.38 0.92 -0.29 -0.62 -1.94 0.34 -1.97 119.30 113.37 2jqa s MET 49 Ca 0.09 -0.58 -0.14 0.00 -1.71 0.00 0.00 55.69 53.35 2jqa s MET 49 Cb -0.07 0.40 0.13 0.00 2.01 0.00 0.00 34.83 37.30 2jqa s MET 49 CO 0.04 -0.32 0.79 0.99 -0.01 0.00 0.00 175.02 176.51 2jqa s THR 50 N -3.06 -0.47 -0.20 2.05 2.01 -1.26 -1.84 115.64 112.87 2jqa s THR 50 Ca -0.01 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.85 2jqa s THR 50 Cb 0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2jqa s THR 50 CO -0.07 0.00 0.31 -0.22 -0.69 0.00 0.00 174.62 173.95 2jqa s LEU 51 N 2.22 4.16 -0.22 4.42 1.98 -0.89 -2.54 118.68 127.81 2jqa s LEU 51 Ca -0.07 0.40 0.00 0.00 -2.89 0.00 0.00 54.13 51.57 2jqa s LEU 51 Cb -0.08 -2.36 0.05 0.00 0.66 0.00 0.00 46.19 44.47 2jqa s LEU 51 CO -0.18 0.00 -0.06 0.28 -1.89 0.00 0.00 176.35 174.50 2jqa s THR 52 N 1.05 1.47 0.79 3.68 -1.32 -1.25 -3.95 115.64 116.11 2jqa s THR 52 Ca 0.15 -1.10 -0.11 0.00 -1.21 0.00 0.00 61.69 59.42 2jqa s THR 52 Cb -0.14 -1.70 0.06 0.00 -1.51 0.00 0.00 72.50 69.21 2jqa s THR 52 CO 0.06 -0.03 1.09 0.20 -2.21 0.00 0.00 174.62 173.73 2jqa s ASN 53 N 1.44 4.59 -0.32 8.08 -0.87 -1.26 -3.53 114.94 123.06 2jqa s ASN 53 Ca -0.04 1.36 0.16 0.00 -1.57 0.00 0.00 52.86 52.76 2jqa s ASN 53 Cb -0.18 -2.11 0.44 0.00 -0.02 0.00 0.00 41.25 39.38 2jqa s ASN 53 CO -0.07 -1.92 1.40 1.17 -2.57 0.00 0.00 177.10 175.11 2jqa n LYS 54 N -3.40 1.45 0.00 -0.60 4.81 -1.26 -4.90 118.16 114.25 2jqa n LYS 54 Ca 0.07 -1.94 0.00 0.00 -0.87 0.00 0.00 58.31 55.57 2jqa n LYS 54 Cb 0.56 -0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.40 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 -1.18 0.00 -1.95 3.14 7.64 -1.26 -5.03 113.62 114.97 2jqa n SER 55 Ca -0.09 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.59 2jqa n SER 55 Cb 0.85 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 64.22 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 0.00 3.88 -2.84 6.43 5.75 -1.26 -4.54 116.55 123.97 2jqa n ASP 56 Ca 0.00 -3.69 -0.27 0.00 -0.01 0.00 0.00 54.79 50.82 2jqa n ASP 56 Cb 0.00 -0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 39.27 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jqa n GLN 57 N -1.11 3.32 -2.24 0.11 6.02 -1.26 -4.99 117.38 117.23 2jqa n GLN 57 Ca 0.53 -4.78 -0.26 0.00 -0.01 0.00 0.00 57.00 52.47 2jqa n GLN 57 Cb 1.37 -2.25 0.13 0.00 1.02 0.00 0.00 30.24 30.52 2jqa n GLN 57 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2jqa s PRO 58 N -3.51 1.38 0.16 -1.09 0.04 -1.26 -4.99 135.00 125.73 2jqa s PRO 58 Ca 0.49 -0.65 -0.02 0.00 0.04 0.00 0.00 61.00 60.86 2jqa s PRO 58 Cb 0.31 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2jqa s PRO 58 CO -0.15 -1.79 0.11 0.42 0.04 0.00 0.00 177.00 175.63 2jqa s ILE 59 N -3.46 0.06 0.01 0.56 1.09 -1.26 -4.96 121.20 113.24 2jqa s ILE 59 Ca 0.68 -1.90 0.02 0.00 -1.10 0.00 0.00 60.65 58.35 2jqa s ILE 59 Cb -0.06 -2.20 -0.01 0.00 -1.06 0.00 0.00 42.46 39.13 2jqa s ILE 59 CO 0.48 -0.27 -0.06 -1.59 -0.10 0.00 0.00 174.94 173.40 2jqa s LYS 60 N -4.08 0.42 0.21 2.79 -2.85 -1.26 -0.14 119.74 114.83 2jqa s LYS 60 Ca 0.29 -0.38 -0.12 0.00 -1.00 0.00 0.00 55.97 54.76 2jqa s LYS 60 Cb 0.07 -0.32 0.05 0.00 -2.06 0.00 0.00 37.83 35.57 2jqa s LYS 60 CO 0.06 0.08 0.61 1.47 0.10 0.00 0.00 175.35 177.67 2jqa n LEU 61 N 2.40 0.00 -3.26 2.77 -0.00 -1.26 -4.61 117.00 113.05 2jqa n LEU 61 Ca -0.17 -1.47 -0.25 0.00 -0.00 0.00 0.00 56.01 54.12 2jqa n LEU 61 Cb 0.57 2.36 -0.07 0.00 -0.00 0.00 0.00 43.42 46.28 2jqa n LEU 61 CO 0.24 -0.49 -0.05 1.33 -0.00 0.00 0.00 177.39 178.42 2jqa n VAL 62 N -0.42 1.38 0.00 1.47 0.24 0.72 -2.14 118.33 119.58 2jqa n VAL 62 Ca -0.04 -4.89 0.00 0.00 -2.04 0.00 0.00 64.34 57.37 2jqa n VAL 62 Cb 0.41 -1.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 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 0.77 -1.34 3.95 7.63 0.00 -1.06 -4.33 105.19 110.81 2jqa n GLY 63 Ca 0.27 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.39 3.79 0.12 4.61 0.00 -1.26 -2.60 121.76 125.02 2jqa s ALA 64 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2jqa s ALA 64 Cb 0.00 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2jqa s ALA 64 CO 0.00 -0.03 0.20 0.00 0.00 0.00 0.00 175.76 175.93 2jqa n ALA 65 N -1.76 -0.33 -3.36 0.00 0.00 0.14 -4.91 120.51 110.30 2jqa n ALA 65 Ca -0.04 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 52.96 2jqa n ALA 65 Cb 0.57 0.37 -0.03 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.64 -0.64 -1.99 0.00 -1.32 -1.26 -0.91 115.64 106.89 2jqa s THR 66 Ca 0.07 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.62 2jqa s THR 66 Cb -0.01 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.18 2jqa s THR 66 CO 0.05 0.00 1.16 -0.81 -2.21 0.00 0.00 174.62 172.82 2jqa n PRO 67 N 5.23 1.52 0.12 7.08 -0.04 -1.26 -3.94 135.00 143.71 2jqa n PRO 67 Ca -0.08 -0.81 0.12 0.00 -0.04 0.00 0.00 63.50 62.70 2jqa n PRO 67 Cb 0.52 -1.18 0.18 0.00 -0.04 0.00 0.00 33.50 32.99 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 1.31 0.00 -8.59 1.53 4.07 -1.96 -3.46 115.31 108.21 2jqa h LEU 68 Ca 0.00 -0.06 -0.69 0.00 0.08 0.00 0.00 57.88 57.21 2jqa h LEU 68 Cb 0.30 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 41.74 2jqa h LEU 68 CO 0.00 0.03 -0.89 0.00 -1.08 0.00 0.00 178.44 176.51 2jqa s ALA 69 N -3.21 2.10 -1.08 1.53 0.00 -1.25 -4.21 121.76 115.65 2jqa s ALA 69 Ca 0.06 -1.09 0.23 0.00 0.00 0.00 0.00 51.96 51.16 2jqa s ALA 69 Cb 0.10 -0.53 1.04 0.00 0.00 0.00 0.00 23.12 23.72 2jqa s ALA 69 CO 0.70 0.52 1.76 2.41 0.00 0.00 0.00 175.76 181.14 2jqa n THR 70 N 2.45 0.36 -3.48 0.00 -1.04 -0.36 -4.19 114.28 108.02 2jqa n THR 70 Ca -0.16 0.09 -0.23 0.00 -2.04 0.00 0.00 64.05 61.71 2jqa n THR 70 Cb 0.51 -0.69 -0.13 0.00 -1.82 0.00 0.00 70.33 68.21 2jqa n THR 70 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2jqa s SER 71 N -2.92 2.50 -0.27 8.00 0.01 -0.08 -5.01 113.70 115.93 2jqa s SER 71 Ca 0.13 -0.92 -0.29 0.00 1.31 0.00 0.00 55.95 56.18 2jqa s SER 71 Cb 0.15 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 2jqa s SER 71 CO 0.42 -0.40 1.70 -2.16 0.41 0.00 0.00 173.24 173.20 2jqa s PRO 72 N 2.23 3.60 -0.38 12.44 0.04 -1.26 -1.87 135.00 149.79 2jqa s PRO 72 Ca 0.08 1.56 -0.00 0.00 0.04 0.00 0.00 61.00 62.68 2jqa s PRO 72 Cb -0.15 -4.11 0.11 0.00 0.04 0.00 0.00 34.50 30.39 2jqa s PRO 72 CO -0.31 -1.54 0.15 1.41 0.04 0.00 0.00 177.00 176.75 2jqa s MET 73 N 5.11 1.83 -0.39 4.56 1.75 -0.20 -4.98 119.30 126.97 2jqa s MET 73 Ca 0.75 -1.83 -0.07 0.00 -1.25 0.00 0.00 55.69 53.29 2jqa s MET 73 Cb -0.24 -3.45 0.07 0.00 2.84 0.00 0.00 34.83 34.06 2jqa s MET 73 CO 0.32 -1.02 0.19 -0.51 -0.65 0.00 0.00 175.02 173.35 2jqa s LEU 74 N 1.06 4.88 -0.07 4.11 1.02 -1.26 -0.49 118.68 127.93 2jqa s LEU 74 Ca 0.09 -1.52 0.04 0.00 0.02 0.00 0.00 54.13 52.75 2jqa s LEU 74 Cb -0.21 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.10 2jqa s LEU 74 CO -0.05 -0.47 -0.18 -0.32 0.02 0.00 0.00 176.35 175.35 2jqa s MET 75 N 1.34 2.23 0.05 1.70 1.75 0.01 -0.18 119.30 126.20 2jqa s MET 75 Ca 0.02 -0.64 0.02 0.00 -1.25 0.00 0.00 55.69 53.84 2jqa s MET 75 Cb -0.22 -1.78 -0.02 0.00 2.84 0.00 0.00 34.83 35.64 2jqa s MET 75 CO 0.01 0.15 -0.08 -0.08 -0.65 0.00 0.00 175.02 174.36 2jqa s THR 76 N 0.37 0.59 0.00 10.11 -1.32 -0.83 -1.17 115.64 123.39 2jqa s THR 76 Ca -0.13 -1.11 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2jqa s THR 76 Cb -0.15 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 2jqa s THR 76 CO 0.05 -0.38 0.00 0.41 -2.21 0.00 0.00 174.62 172.50 2jqa n THR 77 N 1.42 0.00 -2.71 5.08 -1.04 -0.15 -1.40 114.28 115.48 2jqa n THR 77 Ca -0.22 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.72 2jqa n THR 77 Cb 0.55 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.11 2jqa n THR 77 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jqa n THR 78 N 0.00 0.84 -3.98 12.58 -2.24 -1.26 -0.67 114.28 119.55 2jqa n THR 78 Ca 0.00 -2.65 -0.13 0.00 -2.27 0.00 0.00 64.05 59.01 2jqa n THR 78 Cb 0.00 0.90 -0.13 0.00 -2.10 0.00 0.00 70.33 68.99 2jqa n THR 78 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jqa s HIS 79 N -2.57 0.22 -3.57 4.78 3.76 -1.26 -4.84 115.29 111.82 2jqa s HIS 79 Ca 0.25 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 2jqa s HIS 79 Cb 0.42 -0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.96 2jqa s HIS 79 CO -0.01 -0.04 0.00 0.45 -0.85 0.00 0.00 174.74 174.29 2jqa n SER 80 N 2.70 0.00 -3.42 1.40 2.88 -0.60 -4.58 113.62 112.00 2jqa n SER 80 Ca -0.15 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.03 2jqa n SER 80 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.42 3.71 0.96 0.46 0.00 -1.26 -3.36 105.19 105.28 2jqa n GLY 81 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 3.90 0.96 3.05 -0.02 0.00 -1.26 -5.03 105.19 106.79 2jqa n GLY 82 Ca 0.59 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.69 0.30 0.01 1.61 -2.45 -1.21 -5.16 119.30 110.70 2jqa s MET 83 Ca 0.00 -0.08 -0.29 0.00 -1.25 0.00 0.00 55.69 54.07 2jqa s MET 83 Cb 0.00 0.13 0.10 0.00 1.25 0.00 0.00 34.83 36.32 2jqa s MET 83 CO 0.00 -0.06 1.26 0.00 1.05 0.00 0.00 175.02 177.27 2jqa s ALA 84 N -0.59 -2.28 0.00 4.11 0.00 -1.26 -1.56 121.76 120.18 2jqa s ALA 84 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2jqa s ALA 84 Cb -0.04 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2jqa s ALA 84 CO 0.01 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.08 2jqa n GLY 85 N -0.70 2.70 3.67 0.00 0.00 0.15 -4.96 105.19 106.05 2jqa n GLY 85 Ca -0.02 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 2jqa n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jqa n MET 86 N 0.00 2.11 -1.08 1.61 0.00 -0.95 -4.66 117.12 114.15 2jqa n MET 86 Ca 0.00 0.76 0.00 0.00 -0.00 0.00 0.00 57.70 58.46 2jqa n MET 86 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 33.22 30.76 2jqa n MET 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2jqa n LYS 87 N 2.60 0.00 -3.86 2.12 5.02 -0.49 -4.97 118.16 118.58 2jqa n LYS 87 Ca 0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 2jqa n LYS 87 Cb 0.31 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.23 2jqa n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jqa s MET 88 N -0.69 0.66 0.01 1.97 0.23 -1.26 -1.97 119.30 118.24 2jqa s MET 88 Ca 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 55.69 54.03 2jqa s MET 88 Cb 0.00 0.27 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 2jqa s MET 88 CO 0.00 -0.18 0.00 0.28 -2.03 0.00 0.00 175.02 173.09 2jqa n VAL 89 N 0.77 -3.26 -2.09 5.16 0.31 0.75 -4.97 118.33 115.00 2jqa n VAL 89 Ca -0.19 0.36 -0.34 0.00 -0.01 0.00 0.00 64.34 64.16 2jqa n VAL 89 Cb 0.58 -3.00 0.02 0.00 -0.91 0.00 0.00 33.84 30.53 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 -2.17 3.19 0.00 5.55 0.04 -1.26 -5.01 135.00 135.34 2jqa s PRO 90 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2jqa s PRO 90 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2jqa s PRO 90 CO 0.00 -0.96 0.00 -2.67 0.04 0.00 0.00 177.00 173.41 2jqa n TRP 91 N -1.72 -1.73 -1.65 0.56 2.14 -1.26 -2.57 117.44 111.21 2jqa n TRP 91 Ca 0.11 0.00 -0.37 0.00 2.07 0.00 0.00 57.50 59.31 2jqa n TRP 91 Cb 0.52 0.00 0.07 0.00 -0.81 0.00 0.00 31.31 31.08 2jqa n TRP 91 CO 0.00 0.00 0.00 1.47 2.07 0.00 0.00 177.69 181.23 2jqa n LEU 92 N 0.00 5.16 0.10 5.67 -0.00 -0.91 -3.45 117.00 123.58 2jqa n LEU 92 Ca 0.00 0.80 -0.23 0.00 -0.00 0.00 0.00 56.01 56.58 2jqa n LEU 92 Cb 0.00 -1.50 -0.14 0.00 -0.00 0.00 0.00 43.42 41.78 2jqa n LEU 92 CO 0.00 -1.35 -0.10 0.00 -0.00 0.00 0.00 177.39 175.94 2jqa h THR 93 N 0.39 1.33 -2.48 1.47 1.03 -1.80 -3.46 112.91 109.37 2jqa h THR 93 Ca -0.50 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 63.36 2jqa h THR 93 Cb 1.35 2.90 0.00 0.00 -1.07 0.00 0.00 68.15 71.33 2jqa h THR 93 CO 0.52 0.76 0.00 0.00 -0.01 0.00 0.00 175.52 176.78 2jqa n ILE 94 N -3.84 0.00 0.00 0.00 0.13 0.80 -3.50 119.36 112.95 2jqa n ILE 94 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.50 2jqa n ILE 94 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.79 2jqa n ILE 94 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 2jqa n PRO 95 N -0.21 2.57 -1.97 9.51 -0.04 -1.26 -4.39 135.00 139.20 2jqa n PRO 95 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2jqa n PRO 95 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2jqa n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa n ALA 96 N -3.00 -1.97 -0.38 0.55 0.00 -1.26 -3.67 120.51 110.78 2jqa n ALA 96 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2jqa n ALA 96 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.13 0.00 -1.20 0.00 0.00 -1.26 -4.99 116.66 108.08 2jqa n ARG 97 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 2jqa n ARG 97 Cb 0.45 -2.98 0.03 0.00 0.00 0.00 0.00 32.46 29.97 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 -2.00 0.86 2.66 5.14 0.00 -1.24 -5.09 105.19 105.52 2jqa n GLY 98 Ca 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 2jqa n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jqa n THR 99 N -1.74 0.00 -1.66 2.61 5.66 -1.26 -4.57 114.28 113.31 2jqa n THR 99 Ca 0.05 -0.45 -0.63 0.00 -3.05 0.00 0.00 64.05 59.97 2jqa n THR 99 Cb 0.16 0.89 -0.09 0.00 -1.55 0.00 0.00 70.33 69.75 2jqa n THR 99 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2jqa n LEU 100 N 1.85 0.98 -4.44 1.09 0.00 -1.23 -4.74 117.00 110.51 2jqa n LEU 100 Ca 0.04 1.16 -0.33 0.00 0.00 0.00 0.00 56.01 56.89 2jqa n LEU 100 Cb 0.69 -0.94 -0.13 0.00 0.00 0.00 0.00 43.42 43.04 2jqa n LEU 100 CO -0.14 -1.15 -0.44 -0.89 0.00 0.00 0.00 177.39 174.78 2jqa s THR 101 N 1.94 3.18 -0.45 1.96 2.01 -1.26 -2.09 115.64 120.92 2jqa s THR 101 Ca 0.98 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 62.41 2jqa s THR 101 Cb -1.34 -2.31 0.24 0.00 0.01 0.00 0.00 72.50 69.10 2jqa s THR 101 CO 0.70 0.55 0.72 0.18 -0.69 0.00 0.00 174.62 176.09 2jqa n LEU 102 N 2.97 -1.75 0.00 4.42 4.77 -0.76 -4.67 117.00 121.98 2jqa n LEU 102 Ca -0.18 -3.82 -0.12 0.00 -0.03 0.00 0.00 56.01 51.87 2jqa n LEU 102 Cb 0.53 0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 42.33 2jqa n LEU 102 CO 0.29 2.01 -0.00 0.00 -1.33 0.00 0.00 177.39 178.36 2jqa n GLN 103 N 1.70 0.34 0.00 3.23 6.02 0.14 -0.50 117.38 128.31 2jqa n GLN 103 Ca 0.15 -2.07 0.01 0.00 -0.01 0.00 0.00 57.00 55.07 2jqa n GLN 103 Cb 0.58 1.79 0.05 0.00 1.02 0.00 0.00 30.24 33.69 2jqa n GLN 103 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2jqa n ARG 104 N -0.40 0.22 0.00 -1.09 1.85 -1.26 -2.32 116.66 113.65 2jqa n ARG 104 Ca 0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.67 2jqa n ARG 104 Cb 0.39 -1.12 -0.14 0.00 -1.05 0.00 0.00 32.46 30.55 2jqa n ARG 104 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2jqa h ASP 105 N 0.00 0.37 0.00 2.89 3.04 -1.98 -3.46 116.42 117.28 2jqa h ASP 105 Ca 0.00 -0.85 0.00 0.00 -3.24 0.00 0.00 57.03 52.94 2jqa h ASP 105 Cb 0.00 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.17 2jqa h ASP 105 CO 0.00 1.69 0.00 0.61 -2.04 0.00 0.00 179.24 179.50 2jqa n GLY 106 N 1.79 1.00 3.30 7.15 0.00 -1.17 -4.45 105.19 112.81 2jqa n GLY 106 Ca -0.28 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.45 -0.01 1.61 2.15 -0.98 -0.98 116.67 118.01 2jqa s ASP 107 Ca 0.00 0.55 -0.09 0.00 0.43 0.00 0.00 52.55 53.43 2jqa s ASP 107 Cb 0.00 1.48 0.01 0.00 -0.30 0.00 0.00 42.92 44.11 2jqa s ASP 107 CO 0.00 -0.09 0.19 -1.38 -0.17 0.00 0.00 175.17 173.73 2jqa s HIS 108 N 2.46 -0.04 -0.41 -5.34 -3.43 -0.31 0.27 115.29 108.48 2jqa s HIS 108 Ca -0.01 0.04 -0.14 0.00 -0.80 0.00 0.00 55.06 54.14 2jqa s HIS 108 Cb -0.06 0.00 0.03 0.00 -1.43 0.00 0.00 32.58 31.13 2jqa s HIS 108 CO -0.16 -0.30 0.29 0.54 -2.00 0.00 0.00 174.74 173.11 2jqa s VAL 109 N -1.25 5.09 0.16 -5.38 0.11 -1.18 -0.81 120.40 117.14 2jqa s VAL 109 Ca -0.13 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 57.85 2jqa s VAL 109 Cb -0.06 -3.87 -0.07 0.00 -1.53 0.00 0.00 36.38 30.84 2jqa s VAL 109 CO 0.02 -0.33 1.10 -0.04 -3.33 0.00 0.00 175.10 172.52 2jqa s MET 110 N 1.64 4.58 -1.24 1.54 -1.94 0.36 -0.87 119.30 123.37 2jqa s MET 110 Ca 0.04 1.71 -0.06 0.00 -1.71 0.00 0.00 55.69 55.67 2jqa s MET 110 Cb -0.20 -3.29 0.09 0.00 2.01 0.00 0.00 34.83 33.45 2jqa s MET 110 CO 0.09 0.05 2.49 1.28 -0.01 0.00 0.00 175.02 178.91 2jqa n LEU 111 N 2.54 7.92 -4.69 -0.03 4.77 0.74 -1.03 117.00 127.22 2jqa n LEU 111 Ca 0.03 -4.75 -0.42 0.00 -0.03 0.00 0.00 56.01 50.84 2jqa n LEU 111 Cb 0.46 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.16 2jqa n LEU 111 CO 0.54 2.03 1.13 -0.32 -1.33 0.00 0.00 177.39 179.44 2jqa s MET 112 N -0.93 4.28 -0.39 3.23 1.75 -0.78 -2.96 119.30 123.49 2jqa s MET 112 Ca 0.56 1.98 -0.00 0.00 -1.25 0.00 0.00 55.69 56.98 2jqa s MET 112 Cb 0.21 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 34.29 2jqa s MET 112 CO -0.10 -0.59 0.33 0.41 -0.65 0.00 0.00 175.02 174.41 2jqa n GLY 113 N 3.67 0.18 0.49 2.11 0.00 -1.26 -0.90 105.19 109.49 2jqa n GLY 113 Ca 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.02 0.00 0.07 0.99 7.94 -0.90 -1.22 117.00 121.86 2jqa n LEU 114 Ca -0.09 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 2jqa n LEU 114 Cb 0.55 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2jqa n LEU 114 CO 0.20 -1.25 0.00 2.29 -1.11 0.00 0.00 177.39 177.52 2jqa n LYS 115 N -2.07 0.00 -2.39 1.96 2.85 -1.26 -4.90 118.16 112.36 2jqa n LYS 115 Ca 0.02 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.86 2jqa n LYS 115 Cb 0.08 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.43 2jqa n LYS 115 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2jqa s ARG 116 N -1.37 4.45 0.68 -1.58 3.52 -1.26 -5.01 118.95 118.38 2jqa s ARG 116 Ca 0.00 1.83 -0.11 0.00 -0.13 0.00 0.00 55.73 57.32 2jqa s ARG 116 Cb 0.00 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 30.09 2jqa s ARG 116 CO 0.00 -0.20 1.07 -1.25 -0.81 0.00 0.00 175.30 174.11 2jqa s PRO 117 N 0.58 3.12 -0.14 5.12 0.04 -1.26 -5.09 135.00 137.38 2jqa s PRO 117 Ca 0.57 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 2jqa s PRO 117 Cb -0.31 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.25 2jqa s PRO 117 CO 0.32 -0.87 0.15 -0.51 0.04 0.00 0.00 177.00 176.12 2jqa s LEU 118 N -5.30 0.06 0.05 -3.56 1.43 -1.26 -5.15 118.68 104.95 2jqa s LEU 118 Ca 0.57 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 2jqa s LEU 118 Cb -0.11 0.10 -0.03 0.00 0.03 0.00 0.00 46.19 46.18 2jqa s LEU 118 CO 0.53 -0.30 -0.20 -0.75 0.23 0.00 0.00 176.35 175.85 2jqa s LYS 119 N 2.24 1.98 0.09 1.70 2.20 -1.26 -3.91 119.74 122.78 2jqa s LYS 119 Ca 0.04 -1.03 0.04 0.00 -0.36 0.00 0.00 55.97 54.66 2jqa s LYS 119 Cb -0.14 -2.13 0.32 0.00 -1.51 0.00 0.00 37.83 34.36 2jqa s LYS 119 CO -0.08 0.53 0.41 1.55 -0.36 0.00 0.00 175.35 177.40 2jqa n VAL 120 N 1.53 -0.11 -0.03 4.02 3.14 -1.26 -1.07 118.33 124.55 2jqa n VAL 120 Ca -0.16 0.54 0.04 0.00 -2.96 0.00 0.00 64.34 61.80 2jqa n VAL 120 Cb 0.52 -0.86 0.09 0.00 -1.06 0.00 0.00 33.84 32.53 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 -1.08 2.12 3.94 7.55 0.00 -1.26 -3.48 105.19 112.97 2jqa n GLY 121 Ca 0.09 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.92 3.45 0.05 1.61 2.12 -0.23 -5.00 118.70 119.78 2jqa s GLU 122 Ca 0.14 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 55.00 2jqa s GLU 122 Cb 0.08 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 2jqa s GLU 122 CO 0.10 0.51 -0.11 0.99 -0.54 0.00 0.00 175.26 176.22 2jqa s THR 123 N -1.73 3.30 0.21 -1.70 2.01 -1.26 -2.30 115.64 114.17 2jqa s THR 123 Ca 0.35 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2jqa s THR 123 Cb -0.11 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 2jqa s THR 123 CO 0.28 0.27 0.06 0.68 -0.69 0.00 0.00 174.62 175.23 2jqa s VAL 124 N -1.06 0.46 -0.15 3.82 -7.23 0.79 -4.97 120.40 112.06 2jqa s VAL 124 Ca 0.18 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2jqa s VAL 124 Cb -0.11 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2jqa s VAL 124 CO 0.09 -0.21 0.02 0.20 -0.31 0.00 0.00 175.10 174.89 2jqa s ASN 125 N -3.21 5.35 0.12 4.85 0.02 -1.26 -1.38 114.94 119.42 2jqa s ASN 125 Ca 0.32 0.05 0.09 0.00 -1.02 0.00 0.00 52.86 52.29 2jqa s ASN 125 Cb 0.07 -1.82 -0.04 0.00 0.02 0.00 0.00 41.25 39.48 2jqa s ASN 125 CO 0.09 0.22 -0.21 -0.63 0.02 0.00 0.00 177.10 176.59 2jqa s ILE 126 N 0.06 1.79 -0.25 0.60 -1.09 -0.23 -4.53 121.20 117.55 2jqa s ILE 126 Ca 0.03 -1.63 -0.04 0.00 -2.23 0.00 0.00 60.65 56.78 2jqa s ILE 126 Cb -0.13 -1.65 0.10 0.00 -1.58 0.00 0.00 42.46 39.20 2jqa s ILE 126 CO 0.01 -0.09 0.16 -0.89 -1.23 0.00 0.00 174.94 172.91 2jqa s THR 127 N -1.31 -0.17 0.61 2.92 2.01 -0.08 -0.65 115.64 118.97 2jqa s THR 127 Ca 0.09 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 2jqa s THR 127 Cb -0.09 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.62 2jqa s THR 127 CO 0.05 -0.49 0.90 -0.76 -0.69 0.00 0.00 174.62 173.63 2jqa s LEU 128 N 2.19 3.13 -0.08 4.42 1.02 0.39 -0.68 118.68 129.07 2jqa s LEU 128 Ca 0.07 0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.70 2jqa s LEU 128 Cb -0.16 -3.25 0.02 0.00 0.02 0.00 0.00 46.19 42.82 2jqa s LEU 128 CO -0.25 -1.23 -0.09 -0.54 0.02 0.00 0.00 176.35 174.26 2jqa s LYS 129 N -5.01 1.43 -0.04 1.70 1.02 -1.07 -0.33 119.74 117.44 2jqa s LYS 129 Ca 0.56 -0.28 -0.18 0.00 0.02 0.00 0.00 55.97 56.10 2jqa s LYS 129 Cb -0.11 -1.35 -0.05 0.00 -0.52 0.00 0.00 37.83 35.81 2jqa s LYS 129 CO 0.43 -0.11 0.50 0.00 -0.92 0.00 0.00 175.35 175.25 2jqa s ALA 130 N 1.14 3.55 0.02 5.17 0.00 0.32 -0.20 121.76 131.76 2jqa s ALA 130 Ca -0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 2jqa s ALA 130 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2jqa s ALA 130 CO -0.02 0.22 1.13 0.00 0.00 0.00 0.00 175.76 177.09 2jqa h THR 131 N 4.17 0.00 -1.05 0.00 1.03 -1.84 -2.78 112.91 112.43 2jqa h THR 131 Ca -0.46 0.00 -0.54 0.00 -0.01 0.00 0.00 66.41 65.41 2jqa h THR 131 Cb 1.20 0.00 -0.21 0.00 -1.07 0.00 0.00 68.15 68.07 2jqa h THR 131 CO 0.69 0.00 0.62 0.47 -0.01 0.00 0.00 175.52 177.29 2jqa n ASP 132 N -3.04 6.92 0.00 0.00 9.92 -1.26 -4.62 116.55 124.46 2jqa n ASP 132 Ca -0.03 -3.40 0.00 0.00 -0.53 0.00 0.00 54.79 50.83 2jqa n ASP 132 Cb 0.11 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jqa n GLY 133 N 0.11 0.02 0.00 0.44 0.00 -1.20 -5.20 105.19 99.35 2jqa n GLY 133 Ca 0.47 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2jqa n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqa n ARG 134 N 0.00 -2.73 -1.22 1.61 1.74 -1.05 -5.00 116.66 110.00 2jqa n ARG 134 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 2jqa n ARG 134 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 2jqa n ARG 134 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jqa s THR 135 N -2.00 2.31 -0.25 0.55 2.01 -1.26 -0.52 115.64 116.47 2jqa s THR 135 Ca 0.00 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 2jqa s THR 135 Cb 0.00 -2.55 0.14 0.00 0.01 0.00 0.00 72.50 70.10 2jqa s THR 135 CO 0.00 -0.10 0.48 -0.22 -0.69 0.00 0.00 174.62 174.09 2jqa s LEU 136 N -5.61 -0.90 -0.20 4.42 0.20 0.55 -4.86 118.68 112.29 2jqa s LEU 136 Ca 0.71 0.77 -0.17 0.00 0.69 0.00 0.00 54.13 56.13 2jqa s LEU 136 Cb -0.27 1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 47.06 2jqa s LEU 136 CO 0.50 -0.26 0.47 0.21 -0.29 0.00 0.00 176.35 176.98 2jqa s ASN 137 N 2.69 6.52 0.00 3.68 2.47 -1.26 -0.46 114.94 128.59 2jqa s ASN 137 Ca 0.09 0.62 0.02 0.00 0.42 0.00 0.00 52.86 54.01 2jqa s ASN 137 Cb -0.14 -2.27 -0.01 0.00 -1.45 0.00 0.00 41.25 37.38 2jqa s ASN 137 CO -0.17 -0.13 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.32 2jqa s VAL 138 N 1.46 0.52 0.14 -5.21 1.01 0.18 -5.00 120.40 113.49 2jqa s VAL 138 Ca 0.22 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 2jqa s VAL 138 Cb -0.15 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 2jqa s VAL 138 CO 0.09 0.06 0.83 0.00 0.00 0.00 0.00 175.10 176.08 2jqa s ALA 139 N -0.35 3.38 0.34 5.51 0.00 -1.26 -1.07 121.76 128.32 2jqa s ALA 139 Ca 0.01 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.42 2jqa s ALA 139 Cb -0.04 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2jqa s ALA 139 CO -0.00 0.17 0.38 0.00 0.00 0.00 0.00 175.76 176.31 2jqa s ALA 140 N -0.70 1.40 0.21 0.00 0.00 -0.48 -4.92 121.76 117.27 2jqa s ALA 140 Ca 0.39 -1.85 -0.00 0.00 0.00 0.00 0.00 51.96 50.50 2jqa s ALA 140 Cb -0.23 1.33 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 2jqa s ALA 140 CO 0.27 -0.72 0.12 0.99 0.00 0.00 0.00 175.76 176.41 2jqa s THR 141 N -3.20 0.15 0.67 0.00 2.01 -0.94 -0.15 115.64 114.17 2jqa s THR 141 Ca 0.36 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.33 2jqa s THR 141 Cb 0.01 -2.52 0.08 0.00 0.01 0.00 0.00 72.50 70.07 2jqa s THR 141 CO 0.25 -0.01 0.95 -0.69 -0.69 0.00 0.00 174.62 174.42 2jqa s VAL 142 N -4.05 2.36 0.31 3.82 1.01 -0.97 -1.11 120.40 121.77 2jqa s VAL 142 Ca 0.38 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 2jqa s VAL 142 Cb 0.07 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.62 2jqa s VAL 142 CO 0.12 0.00 0.86 -0.75 0.00 0.00 0.00 175.10 175.33 2jqa s LYS 143 N -5.09 1.91 -0.11 2.72 2.20 0.15 -4.59 119.74 116.93 2jqa s LYS 143 Ca 0.62 -1.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 2jqa s LYS 143 Cb -0.09 0.55 -0.03 0.00 -1.51 0.00 0.00 37.83 36.75 2jqa s LYS 143 CO 0.43 -0.89 -0.07 -1.59 -0.36 0.00 0.00 175.35 172.87 2jqa s LYS 144 N -2.47 3.16 0.00 4.03 -2.85 -1.26 -1.69 119.74 118.67 2jqa s LYS 144 Ca 0.16 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 2jqa s LYS 144 Cb -0.04 -2.70 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 2jqa s LYS 144 CO 0.09 0.44 0.00 -1.71 0.10 0.00 0.00 175.35 174.27 2jqa n ASN 145 N 2.89 0.00 0.01 0.03 4.05 -1.26 -5.04 115.26 115.94 2jqa n ASN 145 Ca -0.18 -0.43 0.00 0.00 0.45 0.00 0.00 54.58 54.43 2jqa n ASN 145 Cb 0.53 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.54 2jqa n ASN 145 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jqa n ILE 146 N 0.00 0.00 -1.92 -1.44 3.06 -1.26 -5.07 119.36 112.72 2jqa n ILE 146 Ca 0.00 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.21 2jqa n ILE 146 Cb 0.17 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.34 2jqa n ILE 146 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 2jqa n GLU 147 N -2.25 -2.09 -3.58 9.51 0.00 -1.26 -4.87 120.64 116.11 2jqa n GLU 147 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 57.16 57.33 2jqa n GLU 147 Cb 0.00 -4.53 -0.05 0.00 0.00 0.00 0.00 31.44 26.86 2jqa n GLU 147 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2jqa s GLY 148 N -1.72 -0.48 0.00 -1.84 0.00 -1.26 -4.91 107.32 97.11 2jqa s GLY 148 Ca 0.00 2.65 0.29 0.00 0.00 0.00 0.00 44.72 47.66 2jqa s GLY 148 CO 0.00 2.96 1.90 -2.13 0.00 0.00 0.00 173.10 175.83