#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 1.86 3.87 3.03 0.00 -1.26 -5.14 105.19 107.55 2jqa n GLY 2 Ca 0.00 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 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 1.00 3.45 -0.90 1.61 4.02 -1.26 -5.03 115.29 118.18 2jqa s HIS 3 Ca 0.00 1.02 -0.24 0.00 1.02 0.00 0.00 55.06 56.86 2jqa s HIS 3 Cb 0.00 -2.41 -0.00 0.00 -1.02 0.00 0.00 32.58 29.15 2jqa s HIS 3 CO 0.00 -0.00 1.71 0.99 1.02 0.00 0.00 174.74 178.46 2jqa s THR 4 N -2.21 3.62 0.52 1.30 2.01 -1.26 -5.00 115.64 114.63 2jqa s THR 4 Ca 0.51 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 2jqa s THR 4 Cb -0.10 -4.44 -0.07 0.00 0.01 0.00 0.00 72.50 67.90 2jqa s THR 4 CO 0.27 -1.36 1.06 -0.04 -0.69 0.00 0.00 174.62 173.86 2jqa s MET 5 N 6.20 3.61 0.79 4.92 1.00 -1.26 -5.09 119.30 129.47 2jqa s MET 5 Ca 0.58 1.36 -0.13 0.00 0.00 0.00 0.00 55.69 57.50 2jqa s MET 5 Cb -0.05 -2.06 0.18 0.00 0.00 0.00 0.00 34.83 32.90 2jqa s MET 5 CO -0.00 -0.59 1.02 -0.35 0.00 0.00 0.00 175.02 175.09 2jqa n PRO 6 N -1.28 -1.24 -4.21 2.03 -0.04 -1.26 -5.11 135.00 123.89 2jqa n PRO 6 Ca 0.10 -1.58 -0.24 0.00 -0.04 0.00 0.00 63.50 61.74 2jqa n PRO 6 Cb 0.52 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.82 2jqa n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa s ALA 7 N -3.85 3.30 0.00 0.55 0.00 -1.26 -5.05 121.76 115.45 2jqa s ALA 7 Ca 0.59 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2jqa s ALA 7 Cb -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2jqa s ALA 7 CO 0.42 0.34 0.00 -2.39 0.00 0.00 0.00 175.76 174.12 2jqa n HIS 8 N -0.71 -0.84 -0.13 0.00 1.44 -1.26 -5.19 115.22 108.52 2jqa n HIS 8 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 2jqa n HIS 8 Cb 0.57 0.40 0.00 0.00 0.12 0.00 0.00 29.99 31.08 2jqa n HIS 8 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2jqa n THR 9 N -2.20 -0.46 -1.00 0.61 -1.04 -1.26 -5.01 114.28 103.91 2jqa n THR 9 Ca 0.00 0.14 -0.30 0.00 -2.04 0.00 0.00 64.05 61.85 2jqa n THR 9 Cb 0.00 -0.21 0.16 0.00 -1.82 0.00 0.00 70.33 68.45 2jqa n THR 9 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jqa s PRO 10 N -4.45 0.92 1.21 -2.82 0.04 -1.26 -5.06 135.00 123.58 2jqa s PRO 10 Ca 0.00 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 61.84 2jqa s PRO 10 Cb 0.00 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 33.07 2jqa s PRO 10 CO 0.00 -2.52 1.08 -1.25 0.04 0.00 0.00 177.00 174.35 2jqa s PRO 11 N -4.80 -1.29 0.15 0.56 0.04 -1.26 -5.10 135.00 123.30 2jqa s PRO 11 Ca 0.65 0.03 -0.07 0.00 0.04 0.00 0.00 61.00 61.65 2jqa s PRO 11 Cb -0.20 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2jqa s PRO 11 CO 0.58 -3.78 0.22 0.00 0.04 0.00 0.00 177.00 174.07 2jqa s ALA 12 N -2.90 0.19 0.00 8.56 0.00 -1.26 -5.07 121.76 121.28 2jqa s ALA 12 Ca 0.70 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2jqa s ALA 12 Cb -0.11 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2jqa s ALA 12 CO 0.57 -0.60 0.00 1.04 0.00 0.00 0.00 175.76 176.77 2jqa n GLN 13 N -0.17 0.00 0.00 0.00 3.00 -1.26 -4.96 117.38 113.99 2jqa n GLN 13 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2jqa n GLN 13 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.87 2jqa n GLN 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2jqa n THR 14 N 0.00 0.00 0.00 5.09 -1.04 -1.26 -5.14 114.28 111.93 2jqa n THR 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jqa n THR 14 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2jqa n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jqa n ALA 15 N 0.00 -0.03 -1.78 2.41 0.00 -1.26 -5.05 120.51 114.80 2jqa n ALA 15 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2jqa n ALA 15 Cb 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 19.45 19.46 2jqa n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jqa s PRO 16 N -3.10 3.06 0.50 0.00 0.04 -1.26 -5.03 135.00 129.21 2jqa s PRO 16 Ca 0.00 0.68 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 2jqa s PRO 16 Cb 0.00 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2jqa s PRO 16 CO 0.00 -0.94 1.31 0.00 0.04 0.00 0.00 177.00 177.41 2jqa s ALA 17 N -3.21 2.96 0.12 8.56 0.00 -1.26 -4.95 121.76 123.98 2jqa s ALA 17 Ca 0.57 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 2jqa s ALA 17 Cb -0.12 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 2jqa s ALA 17 CO 0.53 -1.12 1.59 0.00 0.00 0.00 0.00 175.76 176.76 2jqa h ALA 18 N 1.84 -0.62 -1.33 0.00 0.00 -2.01 -3.45 119.26 113.70 2jqa h ALA 18 Ca -0.50 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.55 2jqa h ALA 18 Cb 1.28 0.73 -0.24 0.00 0.00 0.00 0.00 17.79 19.55 2jqa h ALA 18 CO 0.59 -0.93 0.76 -0.65 0.00 0.00 0.00 179.25 179.02 2jqa s GLN 19 N -5.91 0.32 -0.51 0.00 -1.52 -1.26 -5.09 119.66 105.69 2jqa s GLN 19 Ca -0.16 0.05 -0.02 0.00 -1.95 0.00 0.00 55.36 53.28 2jqa s GLN 19 Cb 0.09 0.15 0.22 0.00 -0.22 0.00 0.00 33.01 33.25 2jqa s GLN 19 CO 0.64 -0.11 2.29 1.63 -0.25 0.00 0.00 175.29 179.50 2jqa n LYS 20 N 0.53 2.32 -3.82 2.91 5.02 -1.26 -4.79 118.16 119.07 2jqa n LYS 20 Ca -0.04 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 2jqa n LYS 20 Cb 0.58 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 2jqa n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jqa n ALA 21 N 0.17 0.00 -3.00 7.82 0.00 -1.26 -5.20 120.51 119.04 2jqa n ALA 21 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2jqa n ALA 21 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2jqa n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqa n GLY 22 N -0.56 5.48 3.73 0.00 0.00 -1.26 -5.09 105.19 107.48 2jqa n GLY 22 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 3.37 0.57 4.61 0.00 -1.26 -5.07 121.76 121.97 2jqa s ALA 23 Ca 0.00 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 2jqa s ALA 23 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2jqa s ALA 23 CO 0.00 -0.32 0.87 1.14 0.00 0.00 0.00 175.76 177.46 2jqa s GLN 24 N 0.35 3.02 -1.86 0.00 0.00 -1.26 -4.69 119.66 115.23 2jqa s GLN 24 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 55.36 55.90 2jqa s GLN 24 Cb -0.29 -2.30 0.00 0.00 0.00 0.00 0.00 33.01 30.42 2jqa s GLN 24 CO 0.32 -0.61 0.00 0.00 0.00 0.00 0.00 175.29 175.00 2jqa n ALA 25 N -2.51 -0.42 -3.26 2.60 0.00 -1.26 -4.98 120.51 110.68 2jqa n ALA 25 Ca 0.04 0.24 -0.44 0.00 0.00 0.00 0.00 53.44 53.27 2jqa n ALA 25 Cb 0.57 -2.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.96 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 -4.93 5.89 -1.17 0.00 2.01 -1.26 -5.00 118.68 114.21 2jqa s LEU 26 Ca 0.00 -1.69 -0.15 0.00 0.01 0.00 0.00 54.13 52.30 2jqa s LEU 26 Cb 0.00 -2.15 -0.06 0.00 0.01 0.00 0.00 46.19 43.99 2jqa s LEU 26 CO 0.00 -0.76 2.23 -0.81 1.01 0.00 0.00 176.35 178.02 2jqa n PRO 27 N 5.15 2.42 -3.68 1.29 -0.04 -1.26 -4.75 135.00 134.13 2jqa n PRO 27 Ca -0.12 -2.10 -0.12 0.00 -0.04 0.00 0.00 63.50 61.11 2jqa n PRO 27 Cb 0.41 -2.95 -0.09 0.00 -0.04 0.00 0.00 33.50 30.83 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 3.65 -0.00 -0.01 0.52 0.11 -1.26 -4.17 120.40 119.24 2jqa s VAL 28 Ca 0.53 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.64 2jqa s VAL 28 Cb 0.14 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2jqa s VAL 28 CO -0.01 0.01 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.75 2jqa s THR 29 N 0.65 3.18 0.22 5.04 2.01 -1.10 -4.95 115.64 120.68 2jqa s THR 29 Ca -0.03 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 60.89 2jqa s THR 29 Cb -0.05 -2.32 -0.08 0.00 0.01 0.00 0.00 72.50 70.06 2jqa s THR 29 CO -0.04 0.46 0.76 -0.69 -0.69 0.00 0.00 174.62 174.41 2jqa s VAL 30 N -0.87 4.48 -0.09 3.82 1.01 -1.26 -4.01 120.40 123.47 2jqa s VAL 30 Ca 0.14 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.65 2jqa s VAL 30 Cb -0.11 -3.94 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 2jqa s VAL 30 CO 0.04 0.28 0.46 0.00 0.00 0.00 0.00 175.10 175.89 2jqa n GLN 31 N 0.94 0.67 0.00 2.72 -0.00 -1.26 -4.98 117.38 115.46 2jqa n GLN 31 Ca -0.03 0.24 0.00 0.00 -0.00 0.00 0.00 57.00 57.21 2jqa n GLN 31 Cb 0.50 -1.72 0.00 0.00 -0.00 0.00 0.00 30.24 29.02 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jqa n GLY 32 N 1.73 0.87 1.69 2.61 0.00 -1.26 -5.06 105.19 105.76 2jqa n GLY 32 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.19 -3.21 4.61 0.00 -1.26 -4.17 120.51 114.29 2jqa n ALA 33 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 2jqa n ALA 33 Cb 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.25 0.02 0.10 0.00 2.01 -1.26 -1.43 115.64 113.84 2jqa s THR 34 Ca 0.00 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2jqa s THR 34 Cb 0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 2jqa s THR 34 CO 0.00 -0.11 -0.03 0.68 -0.69 0.00 0.00 174.62 174.47 2jqa s VAL 35 N -0.42 3.82 -0.90 3.82 -7.23 -0.52 -2.86 120.40 116.10 2jqa s VAL 35 Ca -0.05 -1.11 -0.24 0.00 -1.81 0.00 0.00 61.98 58.76 2jqa s VAL 35 Cb -0.04 -2.82 0.05 0.00 0.56 0.00 0.00 36.38 34.13 2jqa s VAL 35 CO 0.02 0.09 1.36 0.00 -0.31 0.00 0.00 175.10 176.26 2jqa s ALA 36 N -1.33 2.76 0.13 1.32 0.00 -0.16 -0.64 121.76 123.83 2jqa s ALA 36 Ca 0.25 -1.94 -0.31 0.00 0.00 0.00 0.00 51.96 49.96 2jqa s ALA 36 Cb -0.11 -4.39 -0.17 0.00 0.00 0.00 0.00 23.12 18.44 2jqa s ALA 36 CO 0.17 -3.45 0.68 0.00 0.00 0.00 0.00 175.76 173.16 2jqa n ALA 37 N 8.95 -3.06 -2.58 0.00 0.00 -1.15 -4.55 120.51 118.11 2jqa n ALA 37 Ca 0.20 0.48 -0.08 0.00 0.00 0.00 0.00 53.44 54.04 2jqa n ALA 37 Cb 0.50 -1.60 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.64 0.17 0.65 0.00 -7.23 -1.26 -3.81 120.40 108.28 2jqa s VAL 38 Ca 0.71 -1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 59.41 2jqa s VAL 38 Cb -1.01 -0.83 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 2jqa s VAL 38 CO 0.54 -0.72 1.11 -2.16 -0.31 0.00 0.00 175.10 173.56 2jqa s PRO 39 N -2.57 2.83 0.36 4.82 0.04 -1.26 -4.85 135.00 134.38 2jqa s PRO 39 Ca -0.06 1.41 0.25 0.00 0.04 0.00 0.00 61.00 62.65 2jqa s PRO 39 Cb -0.02 -1.95 1.31 0.00 0.04 0.00 0.00 34.50 33.87 2jqa s PRO 39 CO -0.05 -1.23 1.76 -1.00 0.04 0.00 0.00 177.00 176.52 2jqa h PRO 40 N 0.11 0.00 -0.60 0.56 0.13 -1.96 -1.64 132.00 128.60 2jqa h PRO 40 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2jqa h PRO 40 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2jqa h PRO 40 CO 0.54 0.00 0.35 1.03 -0.23 0.00 0.00 178.00 179.69 2jqa h SER 41 N 0.00 0.55 -3.37 1.44 0.87 -2.00 -3.40 113.55 107.64 2jqa h SER 41 Ca 0.00 0.01 -0.73 0.00 -1.23 0.00 0.00 61.79 59.84 2jqa h SER 41 Cb 0.06 -0.10 -0.29 0.00 -0.44 0.00 0.00 62.40 61.63 2jqa h SER 41 CO 0.00 0.37 -0.35 -0.63 -0.53 0.00 0.00 176.83 175.69 2jqa s ILE 42 N -6.12 4.33 -0.04 2.23 -1.09 -0.62 -4.96 121.20 114.92 2jqa s ILE 42 Ca -0.13 -1.88 -0.04 0.00 -2.23 0.00 0.00 60.65 56.37 2jqa s ILE 42 Cb 0.14 -3.83 -0.13 0.00 -1.58 0.00 0.00 42.46 37.06 2jqa s ILE 42 CO 0.75 -0.81 2.94 -2.11 -1.23 0.00 0.00 174.94 174.49 2jqa n ARG 43 N 4.79 1.67 -3.67 2.79 1.85 -1.26 -4.71 116.66 118.12 2jqa n ARG 43 Ca -0.06 -0.76 -0.09 0.00 -1.00 0.00 0.00 57.85 55.93 2jqa n ARG 43 Cb 0.41 -1.65 -0.09 0.00 -1.05 0.00 0.00 32.46 30.08 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jqa s ASP 44 N 1.82 -0.71 0.13 2.89 1.01 -1.26 -0.26 116.67 120.29 2jqa s ASP 44 Ca 0.42 1.20 -0.02 0.00 0.71 0.00 0.00 52.55 54.86 2jqa s ASP 44 Cb 0.21 1.09 0.01 0.00 1.01 0.00 0.00 42.92 45.24 2jqa s ASP 44 CO -0.01 -0.21 0.20 1.07 0.21 0.00 0.00 175.17 176.43 2jqa n THR 45 N 4.05 0.00 -3.74 -1.27 5.66 -0.78 -4.95 114.28 113.25 2jqa n THR 45 Ca -0.20 -0.58 -0.12 0.00 -3.05 0.00 0.00 64.05 60.09 2jqa n THR 45 Cb 0.57 0.39 -0.08 0.00 -1.55 0.00 0.00 70.33 69.67 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 -1.87 -0.78 0.16 1.79 0.00 -1.26 0.20 121.76 120.00 2jqa s ALA 46 Ca 0.10 0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.32 2jqa s ALA 46 Cb -0.01 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2jqa s ALA 46 CO 0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 175.76 175.33 2jqa s ALA 47 N -2.10 2.85 -0.21 0.00 0.00 0.02 -0.99 121.76 121.33 2jqa s ALA 47 Ca -0.08 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 50.27 2jqa s ALA 47 Cb -0.02 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.45 2jqa s ALA 47 CO -0.00 0.52 0.55 1.52 0.00 0.00 0.00 175.76 178.34 2jqa s TYR 48 N -1.50 -0.62 0.00 0.00 1.13 -1.14 -2.04 117.35 113.18 2jqa s TYR 48 Ca 0.22 1.49 0.00 0.00 -1.41 0.00 0.00 57.07 57.38 2jqa s TYR 48 Cb -0.09 0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.99 2jqa s TYR 48 CO 0.13 -0.30 0.00 -0.12 -2.51 0.00 0.00 175.55 172.75 2jqa n MET 49 N 2.92 0.00 -1.06 -3.49 1.56 -0.32 -4.03 117.12 112.71 2jqa n MET 49 Ca -0.14 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.29 2jqa n MET 49 Cb 0.56 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.93 2jqa n MET 49 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2jqa n THR 50 N 0.00 0.00 -3.16 1.12 -1.04 -1.26 -1.49 114.28 108.44 2jqa n THR 50 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2jqa n THR 50 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2jqa n THR 50 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jqa s LEU 51 N 0.00 -1.49 -0.88 -4.42 1.98 0.77 -4.63 118.68 110.01 2jqa s LEU 51 Ca 0.00 -0.34 -0.23 0.00 -2.89 0.00 0.00 54.13 50.67 2jqa s LEU 51 Cb 0.00 1.91 0.06 0.00 0.66 0.00 0.00 46.19 48.82 2jqa s LEU 51 CO 0.00 -0.21 1.27 -0.89 -1.89 0.00 0.00 176.35 174.63 2jqa s THR 52 N 2.29 4.09 -0.45 3.68 2.01 -1.26 -3.55 115.64 122.46 2jqa s THR 52 Ca 0.14 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.28 2jqa s THR 52 Cb -0.06 -4.92 -0.03 0.00 0.01 0.00 0.00 72.50 67.50 2jqa s THR 52 CO -0.16 -1.76 1.97 0.54 -0.69 0.00 0.00 174.62 174.52 2jqa s ASN 53 N 4.23 5.37 -0.10 3.53 4.22 -1.26 -2.73 114.94 128.20 2jqa s ASN 53 Ca 0.37 0.97 -0.00 0.00 -2.14 0.00 0.00 52.86 52.06 2jqa s ASN 53 Cb -0.05 -2.52 0.07 0.00 1.28 0.00 0.00 41.25 40.03 2jqa s ASN 53 CO -0.01 -2.18 1.95 1.17 -2.04 0.00 0.00 177.10 175.99 2jqa n LYS 54 N 8.83 1.26 0.00 3.55 4.81 -1.26 -4.75 118.16 130.60 2jqa n LYS 54 Ca 0.25 -0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 2jqa n LYS 54 Cb 0.50 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 1.06 0.00 -1.17 3.14 7.64 -1.26 -4.95 113.62 118.08 2jqa n SER 55 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2jqa n SER 55 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2jqa n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jqa n ASP 56 N 0.00 3.68 -4.17 6.43 9.92 -1.26 -4.82 116.55 126.33 2jqa n ASP 56 Ca 0.00 -2.09 -0.28 0.00 -0.53 0.00 0.00 54.79 51.89 2jqa n ASP 56 Cb 0.00 -0.69 -0.16 0.00 -0.64 0.00 0.00 41.12 39.63 2jqa n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jqa s GLN 57 N 0.03 1.99 -0.54 -1.24 1.03 -1.26 -4.81 119.66 114.86 2jqa s GLN 57 Ca 0.00 -0.69 -0.23 0.00 0.04 0.00 0.00 55.36 54.48 2jqa s GLN 57 Cb 0.00 -1.71 0.05 0.00 0.03 0.00 0.00 33.01 31.37 2jqa s GLN 57 CO 0.00 0.28 0.86 -1.25 -2.54 0.00 0.00 175.29 172.64 2jqa s PRO 58 N -0.02 3.28 0.14 9.60 0.04 -1.26 -4.62 135.00 142.16 2jqa s PRO 58 Ca -0.04 -0.42 -0.30 0.00 0.04 0.00 0.00 61.00 60.28 2jqa s PRO 58 Cb -0.12 -4.06 -0.07 0.00 0.04 0.00 0.00 34.50 30.29 2jqa s PRO 58 CO 0.03 -1.41 0.97 0.42 0.04 0.00 0.00 177.00 177.04 2jqa s ILE 59 N 3.60 4.35 -0.10 0.56 1.09 -1.26 -4.83 121.20 124.61 2jqa s ILE 59 Ca 0.26 2.03 -0.03 0.00 -1.10 0.00 0.00 60.65 61.82 2jqa s ILE 59 Cb -0.14 -4.30 -0.03 0.00 -1.06 0.00 0.00 42.46 36.93 2jqa s ILE 59 CO 0.17 0.35 -0.00 -1.59 -0.10 0.00 0.00 174.94 173.77 2jqa s LYS 60 N -0.27 3.17 -0.04 2.79 -2.85 -1.25 -1.57 119.74 119.72 2jqa s LYS 60 Ca 0.46 -0.42 -0.31 0.00 -1.00 0.00 0.00 55.97 54.70 2jqa s LYS 60 Cb -0.24 -2.85 0.13 0.00 -2.06 0.00 0.00 37.83 32.81 2jqa s LYS 60 CO 0.31 0.59 1.31 -1.17 0.10 0.00 0.00 175.35 176.49 2jqa s LEU 61 N -0.58 -0.05 -0.01 2.77 2.96 0.15 -4.60 118.68 119.32 2jqa s LEU 61 Ca 0.10 -0.11 0.19 0.00 -0.22 0.00 0.00 54.13 54.09 2jqa s LEU 61 Cb -0.12 1.32 -0.20 0.00 0.50 0.00 0.00 46.19 47.69 2jqa s LEU 61 CO 0.02 -0.25 0.59 1.33 -1.32 0.00 0.00 176.35 176.73 2jqa n VAL 62 N -0.47 0.94 0.00 1.68 0.24 0.06 -2.54 118.33 118.24 2jqa n VAL 62 Ca -0.08 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 2jqa n VAL 62 Cb 0.63 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 2jqa n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jqa n GLY 63 N 1.43 -0.66 3.36 7.63 0.00 -1.26 -3.29 105.19 112.41 2jqa n GLY 63 Ca -0.13 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 2jqa n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa s ALA 64 N -2.00 2.30 0.00 4.61 0.00 -1.26 -2.87 121.76 122.54 2jqa s ALA 64 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2jqa s ALA 64 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2jqa s ALA 64 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 175.76 176.30 2jqa n ALA 65 N 1.75 0.00 -3.48 0.00 0.00 0.29 -4.96 120.51 114.11 2jqa n ALA 65 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 2jqa n ALA 65 Cb 0.52 0.00 -0.05 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 -1.76 0.00 -2.03 0.00 -1.32 -1.26 -0.84 115.64 108.43 2jqa s THR 66 Ca 0.00 -0.03 0.28 0.00 -1.21 0.00 0.00 61.69 60.73 2jqa s THR 66 Cb 0.00 -0.98 0.52 0.00 -1.51 0.00 0.00 72.50 70.52 2jqa s THR 66 CO 0.00 -0.02 1.81 -0.81 -2.21 0.00 0.00 174.62 173.40 2jqa n PRO 67 N 0.70 1.11 0.21 7.08 -0.04 -1.26 -4.29 135.00 138.51 2jqa n PRO 67 Ca -0.19 -0.51 0.09 0.00 -0.04 0.00 0.00 63.50 62.85 2jqa n PRO 67 Cb 0.58 -1.49 0.39 0.00 -0.04 0.00 0.00 33.50 32.94 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 1.26 0.00 -8.24 1.53 -0.00 -1.96 -3.42 115.31 104.48 2jqa h LEU 68 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 2jqa h LEU 68 Cb 0.39 0.00 -0.33 0.00 -0.00 0.00 0.00 40.66 40.72 2jqa h LEU 68 CO 0.00 0.26 -0.84 0.00 -0.00 0.00 0.00 178.44 177.85 2jqa s ALA 69 N -3.55 2.35 0.37 1.53 0.00 -1.26 -4.20 121.76 117.00 2jqa s ALA 69 Ca 0.01 -1.10 0.16 0.00 0.00 0.00 0.00 51.96 51.03 2jqa s ALA 69 Cb 0.10 -1.11 0.88 0.00 0.00 0.00 0.00 23.12 22.99 2jqa s ALA 69 CO 0.65 -0.09 1.89 1.15 0.00 0.00 0.00 175.76 179.36 2jqa h THR 70 N 5.79 1.09 -3.67 0.00 2.02 -0.89 -3.31 112.91 113.95 2jqa h THR 70 Ca -0.35 -1.07 -0.66 0.00 0.77 0.00 0.00 66.41 65.11 2jqa h THR 70 Cb 1.18 1.59 -0.40 0.00 -1.74 0.00 0.00 68.15 68.79 2jqa h THR 70 CO 0.57 0.29 -0.71 -0.44 0.37 0.00 0.00 175.52 175.60 2jqa s SER 71 N -6.77 4.76 -0.90 4.18 0.01 -0.55 -5.04 113.70 109.39 2jqa s SER 71 Ca -0.03 -2.20 -0.24 0.00 1.31 0.00 0.00 55.95 54.79 2jqa s SER 71 Cb 0.14 -1.64 -0.00 0.00 0.21 0.00 0.00 66.02 64.73 2jqa s SER 71 CO 0.69 -0.38 1.71 -2.16 0.41 0.00 0.00 173.24 173.51 2jqa s PRO 72 N 0.85 2.98 -1.32 12.44 0.04 -1.25 -2.30 135.00 146.45 2jqa s PRO 72 Ca 0.11 -0.49 -0.13 0.00 0.04 0.00 0.00 61.00 60.53 2jqa s PRO 72 Cb -0.19 -5.03 0.11 0.00 0.04 0.00 0.00 34.50 29.43 2jqa s PRO 72 CO -0.08 -2.80 1.87 -0.12 0.04 0.00 0.00 177.00 175.91 2jqa n MET 73 N 8.94 3.28 -2.47 4.56 1.56 0.58 -4.94 117.12 128.64 2jqa n MET 73 Ca 0.33 -3.28 -0.42 0.00 -0.27 0.00 0.00 57.70 54.05 2jqa n MET 73 Cb 0.49 -3.15 -0.03 0.00 2.15 0.00 0.00 33.22 32.68 2jqa n MET 73 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2jqa s LEU 74 N 1.62 4.33 0.26 -0.89 1.43 -1.26 -0.98 118.68 123.18 2jqa s LEU 74 Ca 0.45 1.89 -0.09 0.00 -1.03 0.00 0.00 54.13 55.35 2jqa s LEU 74 Cb 0.07 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 2jqa s LEU 74 CO -0.01 -0.50 0.42 -0.04 0.23 0.00 0.00 176.35 176.44 2jqa s MET 75 N 1.60 1.56 0.00 1.70 -1.94 -1.18 -0.07 119.30 120.96 2jqa s MET 75 Ca 0.57 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 2jqa s MET 75 Cb -0.26 0.43 0.00 0.00 2.01 0.00 0.00 34.83 37.01 2jqa s MET 75 CO 0.26 -0.63 0.00 -2.37 -0.01 0.00 0.00 175.02 172.27 2jqa n THR 76 N -0.39 0.00 -4.59 2.05 5.66 -1.26 -2.84 114.28 112.90 2jqa n THR 76 Ca -0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.72 2jqa n THR 76 Cb 0.63 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.30 2jqa n THR 76 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2jqa s THR 77 N -1.90 1.81 0.00 1.09 -4.23 -0.24 -3.44 115.64 108.74 2jqa s THR 77 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2jqa s THR 77 Cb 0.00 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2jqa s THR 77 CO 0.00 0.00 0.00 1.07 -0.54 0.00 0.00 174.62 175.15 2jqa n THR 78 N -0.93 0.00 0.02 3.99 5.66 -1.26 -4.87 114.28 116.90 2jqa n THR 78 Ca -0.05 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.98 2jqa n THR 78 Cb 0.67 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.36 2jqa n THR 78 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2jqa n HIS 79 N -0.77 0.69 -2.59 1.09 8.25 -1.26 -2.38 115.22 118.25 2jqa n HIS 79 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2jqa n HIS 79 Cb 0.00 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.16 2jqa n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jqa n SER 80 N -2.72 -0.01 -1.15 0.41 2.88 -1.26 -2.12 113.62 109.65 2jqa n SER 80 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2jqa n SER 80 Cb 0.77 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.00 2.04 0.00 0.46 0.00 -1.26 -4.54 105.19 101.88 2jqa n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jqa n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqa n GLY 82 N 0.81 0.34 2.59 -0.02 0.00 -0.95 -5.01 105.19 102.97 2jqa n GLY 82 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.70 3.48 -3.43 1.61 0.00 -0.90 -4.96 117.12 111.22 2jqa n MET 83 Ca 0.00 -2.76 -0.38 0.00 -0.00 0.00 0.00 57.70 54.56 2jqa n MET 83 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 33.22 30.17 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 1.81 3.66 0.00 -5.12 0.00 -1.06 -4.10 121.76 116.95 2jqa s ALA 84 Ca 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2jqa s ALA 84 Cb 0.15 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2jqa s ALA 84 CO -0.06 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2jqa n GLY 85 N 1.84 5.17 3.40 0.00 0.00 -1.00 -5.00 105.19 109.60 2jqa n GLY 85 Ca -0.13 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 0.54 0.93 0.07 1.61 0.00 -1.26 -4.55 119.30 116.64 2jqa s MET 86 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 55.69 55.37 2jqa s MET 86 Cb 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 34.83 35.20 2jqa s MET 86 CO 0.00 -0.29 1.24 -1.59 0.00 0.00 0.00 175.02 174.37 2jqa s LYS 87 N -1.55 4.41 0.00 3.16 0.00 -1.22 -4.90 119.74 119.64 2jqa s LYS 87 Ca -0.10 1.83 0.00 0.00 0.00 0.00 0.00 55.97 57.70 2jqa s LYS 87 Cb -0.02 -3.32 0.00 0.00 0.00 0.00 0.00 37.83 34.49 2jqa s LYS 87 CO 0.05 -0.29 0.00 -0.12 0.00 0.00 0.00 175.35 174.99 2jqa n MET 88 N 3.91 0.00 -0.90 1.78 1.56 -1.25 -4.96 117.12 117.26 2jqa n MET 88 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 2jqa n MET 88 Cb 0.45 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.82 2jqa n MET 88 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2jqa n VAL 89 N 0.00 -3.39 -0.45 1.12 0.31 0.90 -4.96 118.33 111.85 2jqa n VAL 89 Ca 0.00 1.33 0.00 0.00 -0.01 0.00 0.00 64.34 65.66 2jqa n VAL 89 Cb 0.00 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 2jqa n VAL 89 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jqa n PRO 90 N -0.58 -0.45 -3.94 5.55 -0.04 -1.26 -4.75 135.00 129.52 2jqa n PRO 90 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2jqa n PRO 90 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 2jqa n PRO 90 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2jqa s TRP 91 N -0.78 0.19 -0.38 0.54 -2.14 -1.21 -4.78 118.94 110.39 2jqa s TRP 91 Ca 0.00 -0.40 0.12 0.00 2.66 0.00 0.00 56.10 58.48 2jqa s TRP 91 Cb 0.00 -0.14 0.36 0.00 -3.10 0.00 0.00 33.47 30.58 2jqa s TRP 91 CO 0.00 -0.22 0.80 -0.11 -2.66 0.00 0.00 176.95 174.76 2jqa n LEU 92 N 1.56 0.50 -4.51 -4.66 0.00 -1.05 -4.68 117.00 104.16 2jqa n LEU 92 Ca -0.24 -4.72 -0.38 0.00 0.00 0.00 0.00 56.01 50.68 2jqa n LEU 92 Cb 0.55 0.71 -0.12 0.00 0.00 0.00 0.00 43.42 44.56 2jqa n LEU 92 CO 0.20 2.19 -0.21 0.28 0.00 0.00 0.00 177.39 179.85 2jqa s THR 93 N -2.16 4.82 -0.37 1.96 -1.32 -1.25 -0.68 115.64 116.63 2jqa s THR 93 Ca 0.37 -0.07 -0.12 0.00 -1.21 0.00 0.00 61.69 60.65 2jqa s THR 93 Cb 0.35 -3.32 0.01 0.00 -1.51 0.00 0.00 72.50 68.04 2jqa s THR 93 CO -0.07 0.24 0.24 -0.63 -2.21 0.00 0.00 174.62 172.19 2jqa s ILE 94 N 1.68 4.91 -0.61 5.08 1.09 -0.61 -4.93 121.20 127.81 2jqa s ILE 94 Ca 0.06 -0.65 -0.19 0.00 -1.10 0.00 0.00 60.65 58.77 2jqa s ILE 94 Cb -0.16 -3.68 -0.17 0.00 -1.06 0.00 0.00 42.46 37.39 2jqa s ILE 94 CO 0.07 -0.20 1.84 -0.81 -0.10 0.00 0.00 174.94 175.75 2jqa n PRO 95 N 5.07 1.25 -2.60 2.79 -0.04 -1.26 -4.04 135.00 136.17 2jqa n PRO 95 Ca -0.12 -1.54 -0.06 0.00 -0.04 0.00 0.00 63.50 61.74 2jqa n PRO 95 Cb 0.47 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.22 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 6.99 -0.94 0.00 0.55 0.00 -1.26 -1.19 120.51 124.66 2jqa n ALA 96 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2jqa n ALA 96 Cb 0.33 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.49 0.00 -1.34 0.00 0.00 -1.26 -4.61 116.66 106.95 2jqa n ARG 97 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.49 2jqa n ARG 97 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.89 2jqa n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqa n GLY 98 N 0.00 3.90 3.55 5.14 0.00 -0.33 -4.90 105.19 112.55 2jqa n GLY 98 Ca 0.00 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 2jqa n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jqa n THR 99 N 4.53 0.07 -0.69 2.61 -1.04 -1.26 -4.16 114.28 114.35 2jqa n THR 99 Ca 0.60 -0.60 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 2jqa n THR 99 Cb 0.29 -2.47 0.18 0.00 -1.82 0.00 0.00 70.33 66.51 2jqa n THR 99 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jqa s LEU 100 N 10.42 2.62 -0.29 -4.42 2.01 -1.23 -4.74 118.68 123.05 2jqa s LEU 100 Ca 1.03 2.11 -0.16 0.00 0.01 0.00 0.00 54.13 57.12 2jqa s LEU 100 Cb -0.36 -4.44 0.18 0.00 0.01 0.00 0.00 46.19 41.58 2jqa s LEU 100 CO 0.33 -3.22 1.13 -0.89 1.01 0.00 0.00 176.35 174.71 2jqa s THR 101 N -2.63 -0.00 -0.27 5.49 2.01 -1.26 -0.16 115.64 118.81 2jqa s THR 101 Ca 0.67 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.42 2jqa s THR 101 Cb -0.23 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.36 2jqa s THR 101 CO 0.59 0.00 0.80 -1.48 -0.69 0.00 0.00 174.62 173.84 2jqa s LEU 102 N 1.17 -0.67 -0.13 4.42 2.34 -0.55 -4.97 118.68 120.29 2jqa s LEU 102 Ca -0.09 1.30 -0.28 0.00 0.06 0.00 0.00 54.13 55.12 2jqa s LEU 102 Cb -0.03 2.32 0.07 0.00 -0.56 0.00 0.00 46.19 47.99 2jqa s LEU 102 CO -0.12 -0.22 0.68 0.00 -1.06 0.00 0.00 176.35 175.62 2jqa s GLN 103 N 0.35 0.96 0.34 1.48 0.00 -1.03 -1.17 119.66 120.60 2jqa s GLN 103 Ca 0.01 0.51 0.10 0.00 -0.00 0.00 0.00 55.36 55.98 2jqa s GLN 103 Cb -0.05 0.46 0.86 0.00 0.00 0.00 0.00 33.01 34.28 2jqa s GLN 103 CO -0.01 -0.24 1.80 -0.09 0.00 0.00 0.00 175.29 176.75 2jqa h ARG 104 N 3.78 0.62 0.00 9.60 2.43 -1.91 0.18 114.38 129.08 2jqa h ARG 104 Ca -0.28 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2jqa h ARG 104 Cb 1.15 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2jqa h ARG 104 CO 0.27 0.41 0.00 0.22 -1.51 0.00 0.00 179.97 179.36 2jqa h ASP 105 N 0.64 0.00 0.00 -3.80 3.58 -2.04 -3.00 116.42 111.80 2jqa h ASP 105 Ca 0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2jqa h ASP 105 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2jqa h ASP 105 CO -0.31 0.00 -0.28 0.61 -2.88 0.00 0.00 179.24 176.39 2jqa n GLY 106 N -0.71 1.45 0.00 -0.78 0.00 0.10 -5.13 105.19 100.12 2jqa n GLY 106 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2jqa n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqa n ASP 107 N -0.42 0.00 -3.53 1.61 -0.08 0.40 -1.07 116.55 113.46 2jqa n ASP 107 Ca 0.04 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.23 2jqa n ASP 107 Cb 0.64 0.41 -0.02 0.00 2.34 0.00 0.00 41.12 44.48 2jqa n ASP 107 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2jqa s HIS 108 N -3.33 -0.40 -0.34 -0.67 -3.43 -1.18 -2.47 115.29 103.48 2jqa s HIS 108 Ca 0.00 0.18 -0.26 0.00 -0.80 0.00 0.00 55.06 54.17 2jqa s HIS 108 Cb 0.00 0.58 0.01 0.00 -1.43 0.00 0.00 32.58 31.74 2jqa s HIS 108 CO 0.00 -0.81 0.94 0.14 -2.00 0.00 0.00 174.74 173.01 2jqa s VAL 109 N -3.55 4.61 -0.25 -5.38 -7.23 -0.87 -3.13 120.40 104.60 2jqa s VAL 109 Ca 0.04 1.37 -0.18 0.00 -1.81 0.00 0.00 61.98 61.40 2jqa s VAL 109 Cb -0.02 -4.31 -0.03 0.00 0.56 0.00 0.00 36.38 32.58 2jqa s VAL 109 CO -0.08 -0.45 0.53 -0.32 -0.31 0.00 0.00 175.10 174.47 2jqa s MET 110 N 3.40 4.09 -1.21 4.82 0.00 -0.15 -0.80 119.30 129.45 2jqa s MET 110 Ca 0.39 0.36 -0.11 0.00 0.00 0.00 0.00 55.69 56.33 2jqa s MET 110 Cb -0.13 -3.64 0.20 0.00 0.00 0.00 0.00 34.83 31.26 2jqa s MET 110 CO 0.16 -0.33 1.54 1.28 0.00 0.00 0.00 175.02 177.67 2jqa n LEU 111 N 5.47 5.81 -4.78 4.11 4.32 0.13 -0.30 117.00 131.76 2jqa n LEU 111 Ca -0.04 -4.66 -0.39 0.00 -0.02 0.00 0.00 56.01 50.91 2jqa n LEU 111 Cb 0.50 -1.53 -0.06 0.00 -1.62 0.00 0.00 43.42 40.71 2jqa n LEU 111 CO 0.41 1.09 0.51 -0.04 -1.22 0.00 0.00 177.39 178.14 2jqa s MET 112 N 0.46 4.56 -0.41 3.23 -1.94 -0.97 -1.87 119.30 122.36 2jqa s MET 112 Ca 0.39 1.17 -0.01 0.00 -1.71 0.00 0.00 55.69 55.53 2jqa s MET 112 Cb 0.01 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 2jqa s MET 112 CO 0.00 0.51 0.35 0.41 -0.01 0.00 0.00 175.02 176.28 2jqa n GLY 113 N 1.36 0.16 3.25 -0.03 0.00 -1.13 -1.48 105.19 107.31 2jqa n GLY 113 Ca -0.04 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.13 0.00 0.00 0.99 7.94 0.64 -1.16 117.00 123.28 2jqa n LEU 114 Ca -0.07 -1.10 0.00 0.00 -1.11 0.00 0.00 56.01 53.73 2jqa n LEU 114 Cb 0.55 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.58 2jqa n LEU 114 CO 0.22 -1.96 0.00 2.29 -1.11 0.00 0.00 177.39 176.83 2jqa n LYS 115 N -4.41 0.00 -2.68 1.96 2.85 -1.26 -4.91 118.16 109.71 2jqa n LYS 115 Ca 0.14 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.99 2jqa n LYS 115 Cb 0.54 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.87 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 -0.94 4.72 -0.47 -1.58 1.81 -1.26 -5.03 118.95 116.21 2jqa s ARG 116 Ca 0.00 1.54 -0.29 0.00 -1.72 0.00 0.00 55.73 55.26 2jqa s ARG 116 Cb 0.00 -3.32 0.03 0.00 -0.45 0.00 0.00 34.95 31.21 2jqa s ARG 116 CO 0.00 0.28 1.16 -1.25 -0.68 0.00 0.00 175.30 174.81 2jqa s PRO 117 N -0.50 3.72 0.37 3.54 0.04 -1.26 -5.04 135.00 135.88 2jqa s PRO 117 Ca 0.46 0.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2jqa s PRO 117 Cb -0.26 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2jqa s PRO 117 CO 0.32 -1.39 0.60 -0.51 0.04 0.00 0.00 177.00 176.07 2jqa s LEU 118 N 4.52 3.93 0.10 -3.56 1.43 -1.26 -5.11 118.68 118.73 2jqa s LEU 118 Ca 0.49 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 2jqa s LEU 118 Cb -0.08 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2jqa s LEU 118 CO 0.31 -0.34 0.29 -1.59 0.23 0.00 0.00 176.35 175.25 2jqa s LYS 119 N -4.29 3.52 0.21 1.70 -2.85 -1.26 -4.91 119.74 111.86 2jqa s LYS 119 Ca 0.42 -0.29 0.06 0.00 -1.00 0.00 0.00 55.97 55.16 2jqa s LYS 119 Cb -0.10 -2.95 0.62 0.00 -2.06 0.00 0.00 37.83 33.35 2jqa s LYS 119 CO 0.37 0.54 0.99 1.55 0.10 0.00 0.00 175.35 178.90 2jqa n VAL 120 N 0.13 -0.27 -2.19 1.79 3.14 -1.26 -1.29 118.33 118.38 2jqa n VAL 120 Ca -0.04 1.35 -0.14 0.00 -2.96 0.00 0.00 64.34 62.55 2jqa n VAL 120 Cb 0.52 -2.05 0.05 0.00 -1.06 0.00 0.00 33.84 31.29 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 -1.26 4.98 3.81 7.55 0.00 -1.25 -2.15 105.19 116.86 2jqa n GLY 121 Ca 0.18 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.48 2.84 -0.10 1.61 2.12 -0.41 -4.67 118.70 116.61 2jqa s GLU 122 Ca 0.43 1.01 -0.15 0.00 0.36 0.00 0.00 54.97 56.63 2jqa s GLU 122 Cb 0.38 -1.98 -0.05 0.00 0.26 0.00 0.00 34.13 32.75 2jqa s GLU 122 CO 0.00 -1.18 0.36 -0.08 -0.54 0.00 0.00 175.26 173.82 2jqa s THR 123 N -2.98 5.22 0.08 -1.70 -1.32 -1.26 0.01 115.64 113.68 2jqa s THR 123 Ca 0.59 0.70 -0.04 0.00 -1.21 0.00 0.00 61.69 61.73 2jqa s THR 123 Cb -0.15 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.13 2jqa s THR 123 CO 0.54 0.44 0.06 0.68 -2.21 0.00 0.00 174.62 174.14 2jqa s VAL 124 N -0.04 0.17 -0.18 5.08 -7.23 0.48 -4.96 120.40 113.72 2jqa s VAL 124 Ca 0.21 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 2jqa s VAL 124 Cb -0.14 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2jqa s VAL 124 CO 0.08 -0.77 0.37 0.20 -0.31 0.00 0.00 175.10 174.67 2jqa s ASN 125 N -2.93 6.46 -0.01 4.85 0.01 -1.26 -2.38 114.94 119.68 2jqa s ASN 125 Ca 0.10 0.54 0.04 0.00 -0.71 0.00 0.00 52.86 52.83 2jqa s ASN 125 Cb 0.07 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 2jqa s ASN 125 CO -0.08 -0.02 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.77 2jqa s ILE 126 N 0.98 3.42 -0.25 0.60 -1.09 -0.63 -4.64 121.20 119.60 2jqa s ILE 126 Ca 0.19 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 2jqa s ILE 126 Cb -0.14 -2.44 0.06 0.00 -1.58 0.00 0.00 42.46 38.36 2jqa s ILE 126 CO 0.07 0.45 -0.04 -0.89 -1.23 0.00 0.00 174.94 173.30 2jqa s THR 127 N -0.91 1.56 0.47 2.92 2.01 -0.02 -0.21 115.64 121.45 2jqa s THR 127 Ca 0.15 -1.32 0.02 0.00 0.31 0.00 0.00 61.69 60.86 2jqa s THR 127 Cb -0.11 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.55 2jqa s THR 127 CO 0.05 -0.17 0.67 -1.48 -0.69 0.00 0.00 174.62 173.01 2jqa s LEU 128 N 1.37 3.55 -0.03 4.42 0.05 -0.02 -0.55 118.68 127.46 2jqa s LEU 128 Ca -0.04 0.03 -0.10 0.00 0.05 0.00 0.00 54.13 54.06 2jqa s LEU 128 Cb -0.19 -2.94 0.02 0.00 -2.05 0.00 0.00 46.19 41.03 2jqa s LEU 128 CO -0.07 -0.84 0.23 -0.54 -0.55 0.00 0.00 176.35 174.58 2jqa s LYS 129 N -4.56 0.50 0.56 1.48 1.02 -1.14 -0.44 119.74 117.16 2jqa s LYS 129 Ca 0.52 -0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.23 2jqa s LYS 129 Cb -0.10 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.38 2jqa s LYS 129 CO 0.37 -0.12 1.03 0.00 -0.92 0.00 0.00 175.35 175.71 2jqa s ALA 130 N -0.94 2.85 0.09 5.17 0.00 0.10 -0.76 121.76 128.27 2jqa s ALA 130 Ca -0.10 0.34 0.17 0.00 0.00 0.00 0.00 51.96 52.37 2jqa s ALA 130 Cb -0.05 -3.20 0.48 0.00 0.00 0.00 0.00 23.12 20.35 2jqa s ALA 130 CO 0.02 -0.60 1.64 0.00 0.00 0.00 0.00 175.76 176.82 2jqa h THR 131 N 0.65 0.94 -2.56 0.00 1.03 -1.81 -3.42 112.91 107.74 2jqa h THR 131 Ca -0.47 -1.80 -0.11 0.00 -0.01 0.00 0.00 66.41 64.01 2jqa h THR 131 Cb 1.21 2.10 -0.28 0.00 -1.07 0.00 0.00 68.15 70.11 2jqa h THR 131 CO 0.59 0.44 -0.39 -1.81 -0.01 0.00 0.00 175.52 174.33 2jqa s ASP 132 N -6.47 -0.16 0.00 0.00 1.01 -1.26 -5.07 116.67 104.72 2jqa s ASP 132 Ca 0.01 0.93 0.00 0.00 0.71 0.00 0.00 52.55 54.20 2jqa s ASP 132 Cb 0.10 1.26 0.00 0.00 1.01 0.00 0.00 42.92 45.29 2jqa s ASP 132 CO 0.71 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.47 2jqa n GLY 133 N 5.39 0.32 3.82 0.21 0.00 -1.26 -4.99 105.19 108.68 2jqa n GLY 133 Ca -0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 1.68 0.48 1.61 3.52 -1.26 -4.97 118.95 120.01 2jqa s ARG 134 Ca 0.00 -1.01 -0.11 0.00 -0.13 0.00 0.00 55.73 54.48 2jqa s ARG 134 Cb 0.00 0.52 -0.06 0.00 -1.56 0.00 0.00 34.95 33.85 2jqa s ARG 134 CO 0.00 -0.78 0.87 0.99 -0.81 0.00 0.00 175.30 175.57 2jqa s THR 135 N -2.98 4.72 -0.13 4.11 2.01 -1.26 -0.72 115.64 121.39 2jqa s THR 135 Ca 0.15 0.76 -0.05 0.00 0.31 0.00 0.00 61.69 62.85 2jqa s THR 135 Cb -0.04 -3.77 0.06 0.00 0.01 0.00 0.00 72.50 68.76 2jqa s THR 135 CO 0.07 -0.71 0.29 -0.22 -0.69 0.00 0.00 174.62 173.36 2jqa s LEU 136 N -4.23 -0.11 -0.08 4.42 2.96 0.41 -4.95 118.68 117.09 2jqa s LEU 136 Ca 0.53 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.79 2jqa s LEU 136 Cb -0.10 0.83 -0.03 0.00 0.50 0.00 0.00 46.19 47.39 2jqa s LEU 136 CO 0.37 -0.21 1.25 0.54 -1.32 0.00 0.00 176.35 176.97 2jqa s ASN 137 N 2.02 6.99 0.04 3.68 4.22 -1.26 -0.84 114.94 129.78 2jqa s ASN 137 Ca -0.03 1.82 0.02 0.00 -2.14 0.00 0.00 52.86 52.53 2jqa s ASN 137 Cb -0.11 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.84 2jqa s ASN 137 CO -0.09 -0.66 -0.08 -0.69 -2.04 0.00 0.00 177.10 173.54 2jqa s VAL 138 N 2.66 0.56 1.20 3.54 1.01 0.70 -4.98 120.40 125.09 2jqa s VAL 138 Ca 0.57 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2jqa s VAL 138 Cb -0.25 -0.61 0.29 0.00 0.00 0.00 0.00 36.38 35.81 2jqa s VAL 138 CO 0.20 -0.33 1.03 0.00 0.00 0.00 0.00 175.10 176.00 2jqa s ALA 139 N -1.27 -0.24 -0.26 5.51 0.00 -1.26 -1.61 121.76 122.63 2jqa s ALA 139 Ca -0.09 -0.41 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 2jqa s ALA 139 Cb -0.09 -3.12 0.17 0.00 0.00 0.00 0.00 23.12 20.08 2jqa s ALA 139 CO 0.00 -3.83 1.29 0.00 0.00 0.00 0.00 175.76 173.23 2jqa s ALA 140 N -2.57 -2.09 0.34 0.00 0.00 -1.00 -4.45 121.76 111.99 2jqa s ALA 140 Ca 0.68 1.82 0.08 0.00 0.00 0.00 0.00 51.96 54.54 2jqa s ALA 140 Cb -0.20 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2jqa s ALA 140 CO 0.61 -0.31 0.24 0.99 0.00 0.00 0.00 175.76 177.29 2jqa s THR 141 N -1.27 3.27 0.25 0.00 2.01 -0.52 -0.39 115.64 119.00 2jqa s THR 141 Ca 0.08 -1.50 -0.09 0.00 0.31 0.00 0.00 61.69 60.49 2jqa s THR 141 Cb -0.01 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 2jqa s THR 141 CO -0.06 -0.16 0.56 -0.69 -0.69 0.00 0.00 174.62 173.58 2jqa s VAL 142 N -2.37 4.94 -0.18 3.82 1.01 0.10 -1.44 120.40 126.29 2jqa s VAL 142 Ca 0.40 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 2jqa s VAL 142 Cb -0.04 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.77 2jqa s VAL 142 CO 0.25 -0.15 0.41 -0.75 0.00 0.00 0.00 175.10 174.86 2jqa s LYS 143 N -3.02 0.34 0.30 2.72 2.20 0.18 -3.96 119.74 118.51 2jqa s LYS 143 Ca 0.47 0.92 -0.26 0.00 -0.36 0.00 0.00 55.97 56.74 2jqa s LYS 143 Cb -0.11 0.17 -0.15 0.00 -1.51 0.00 0.00 37.83 36.23 2jqa s LYS 143 CO 0.23 -0.21 0.71 0.36 -0.36 0.00 0.00 175.35 176.08 2jqa n LYS 144 N 4.92 0.69 -3.29 4.03 2.85 -1.20 -2.96 118.16 123.19 2jqa n LYS 144 Ca -0.15 0.24 0.03 0.00 -1.05 0.00 0.00 58.31 57.39 2jqa n LYS 144 Cb 0.52 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 2jqa n LYS 144 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2jqa s ASN 145 N -0.81 -0.68 0.00 -5.58 3.84 -1.26 -4.84 114.94 105.61 2jqa s ASN 145 Ca 0.61 0.68 0.00 0.00 0.21 0.00 0.00 52.86 54.36 2jqa s ASN 145 Cb -0.74 1.67 0.00 0.00 -0.55 0.00 0.00 41.25 41.63 2jqa s ASN 145 CO 0.58 -0.13 0.00 -0.38 -2.79 0.00 0.00 177.10 174.38 2jqa n ILE 146 N 5.22 0.00 1.16 -5.21 -0.00 -1.26 -4.27 119.36 115.00 2jqa n ILE 146 Ca -0.07 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.76 2jqa n ILE 146 Cb 0.53 0.00 0.31 0.00 -0.00 0.00 0.00 39.64 40.47 2jqa n ILE 146 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2jqa n GLU 147 N 0.00 1.72 -4.01 0.38 4.07 -1.26 -4.81 120.64 116.73 2jqa n GLU 147 Ca 0.00 -1.09 -0.33 0.00 -0.06 0.00 0.00 57.16 55.68 2jqa n GLU 147 Cb 0.00 -1.35 -0.15 0.00 -0.06 0.00 0.00 31.44 29.89 2jqa n GLU 147 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2jqa s GLY 148 N -1.38 1.67 0.00 8.31 0.00 -1.25 -4.69 107.32 109.97 2jqa s GLY 148 Ca 0.29 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.32 2jqa s GLY 148 CO 0.22 0.60 0.00 -2.13 0.00 0.00 0.00 173.10 171.80