#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 -0.09 2.95 3.03 0.00 -1.26 -5.18 105.19 104.64 2jqa n GLY 2 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 2jqa n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jqa s HIS 3 N 0.00 0.73 -0.18 1.61 5.65 -1.26 -5.13 115.29 116.72 2jqa s HIS 3 Ca 0.00 -0.18 -0.35 0.00 0.25 0.00 0.00 55.06 54.78 2jqa s HIS 3 Cb 0.00 -0.56 0.14 0.00 -1.18 0.00 0.00 32.58 30.98 2jqa s HIS 3 CO 0.00 -0.10 1.33 -0.08 -0.65 0.00 0.00 174.74 175.23 2jqa s THR 4 N 0.37 0.00 -0.32 0.89 -1.32 -1.26 -5.15 115.64 108.85 2jqa s THR 4 Ca -0.05 -0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.42 2jqa s THR 4 Cb -0.09 -1.36 0.17 0.00 -1.51 0.00 0.00 72.50 69.71 2jqa s THR 4 CO 0.00 0.00 0.46 -0.32 -2.21 0.00 0.00 174.62 172.55 2jqa s MET 5 N -2.22 0.53 0.09 7.08 -2.45 -1.26 -5.16 119.30 115.91 2jqa s MET 5 Ca 0.12 -0.03 -0.25 0.00 -1.25 0.00 0.00 55.69 54.28 2jqa s MET 5 Cb 0.02 -0.24 -0.06 0.00 1.25 0.00 0.00 34.83 35.79 2jqa s MET 5 CO -0.04 -1.09 0.75 -1.25 1.05 0.00 0.00 175.02 174.44 2jqa s PRO 6 N 2.31 4.50 -0.28 4.11 0.04 -1.26 -5.07 135.00 139.34 2jqa s PRO 6 Ca 0.12 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 2jqa s PRO 6 Cb -0.11 -3.32 0.12 0.00 0.04 0.00 0.00 34.50 31.24 2jqa s PRO 6 CO -0.22 0.42 1.03 0.00 0.04 0.00 0.00 177.00 178.27 2jqa s ALA 7 N -0.55 -2.00 -0.11 8.56 0.00 -1.26 -5.19 121.76 121.21 2jqa s ALA 7 Ca 0.37 1.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.94 2jqa s ALA 7 Cb -0.21 -1.47 0.10 0.00 0.00 0.00 0.00 23.12 21.54 2jqa s ALA 7 CO 0.24 -0.25 0.84 -1.58 0.00 0.00 0.00 175.76 175.02 2jqa s HIS 8 N 0.35 -0.51 -0.36 0.00 5.04 -1.26 -5.15 115.29 113.39 2jqa s HIS 8 Ca 0.02 0.90 0.07 0.00 -1.54 0.00 0.00 55.06 54.51 2jqa s HIS 8 Cb -0.05 0.43 0.19 0.00 0.04 0.00 0.00 32.58 33.18 2jqa s HIS 8 CO -0.07 -0.47 0.62 0.99 -2.34 0.00 0.00 174.74 173.47 2jqa s THR 9 N -1.09 -1.00 -0.39 0.89 2.01 -1.26 -5.13 115.64 109.67 2jqa s THR 9 Ca -0.06 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2jqa s THR 9 Cb -0.00 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.15 2jqa s THR 9 CO 0.05 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.91 2jqa s PRO 10 N 2.22 3.90 0.22 4.92 0.04 -1.26 -5.02 135.00 140.02 2jqa s PRO 10 Ca 0.14 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 2jqa s PRO 10 Cb -0.06 -3.82 -0.08 0.00 0.04 0.00 0.00 34.50 30.58 2jqa s PRO 10 CO -0.14 -1.11 0.98 -1.25 0.04 0.00 0.00 177.00 175.52 2jqa s PRO 11 N 3.99 4.78 -0.16 0.56 0.04 -1.26 -5.05 135.00 137.89 2jqa s PRO 11 Ca 0.46 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 2jqa s PRO 11 Cb -0.10 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.20 2jqa s PRO 11 CO 0.23 0.39 0.41 0.00 0.04 0.00 0.00 177.00 178.07 2jqa s ALA 12 N -0.92 -1.03 0.12 8.56 0.00 -1.26 -5.16 121.76 122.06 2jqa s ALA 12 Ca 0.43 1.24 -0.25 0.00 0.00 0.00 0.00 51.96 53.38 2jqa s ALA 12 Cb -0.27 -0.73 0.08 0.00 0.00 0.00 0.00 23.12 22.21 2jqa s ALA 12 CO 0.33 -0.21 1.10 -1.14 0.00 0.00 0.00 175.76 175.84 2jqa s GLN 13 N 0.43 1.01 0.40 0.00 0.74 -1.26 -5.18 119.66 115.81 2jqa s GLN 13 Ca -0.02 -0.62 -0.19 0.00 0.05 0.00 0.00 55.36 54.59 2jqa s GLN 13 Cb -0.04 0.30 -0.10 0.00 1.10 0.00 0.00 33.01 34.27 2jqa s GLN 13 CO -0.02 -0.47 0.88 0.99 -0.55 0.00 0.00 175.29 176.13 2jqa s THR 14 N -2.44 4.50 0.09 -0.34 2.01 -1.26 -4.98 115.64 113.22 2jqa s THR 14 Ca 0.20 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.48 2jqa s THR 14 Cb -0.01 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2jqa s THR 14 CO 0.02 -0.31 0.00 0.00 -0.69 0.00 0.00 174.62 173.64 2jqa n ALA 15 N -0.64 1.13 -1.94 7.40 0.00 -1.26 -5.10 120.51 120.10 2jqa n ALA 15 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2jqa n ALA 15 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.00 4.49 -0.19 0.00 0.04 -1.26 -5.04 135.00 131.04 2jqa s PRO 16 Ca 0.00 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 2jqa s PRO 16 Cb 0.00 -3.20 0.14 0.00 0.04 0.00 0.00 34.50 31.48 2jqa s PRO 16 CO 0.00 -0.07 1.07 0.00 0.04 0.00 0.00 177.00 178.04 2jqa s ALA 17 N -0.42 -1.97 -0.24 8.56 0.00 -1.26 -5.20 121.76 121.22 2jqa s ALA 17 Ca 0.51 1.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.89 2jqa s ALA 17 Cb -0.34 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 21.91 2jqa s ALA 17 CO 0.40 -0.28 0.70 0.00 0.00 0.00 0.00 175.76 176.57 2jqa s ALA 18 N -0.92 -1.73 -0.26 0.00 0.00 -1.26 -5.17 121.76 112.42 2jqa s ALA 18 Ca 0.01 1.92 -0.20 0.00 0.00 0.00 0.00 51.96 53.68 2jqa s ALA 18 Cb -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 23.12 22.13 2jqa s ALA 18 CO -0.01 -0.33 0.66 -1.14 0.00 0.00 0.00 175.76 174.94 2jqa s GLN 19 N 0.24 0.74 0.05 0.00 0.74 -1.26 -5.18 119.66 114.98 2jqa s GLN 19 Ca -0.01 1.03 -0.27 0.00 0.05 0.00 0.00 55.36 56.16 2jqa s GLN 19 Cb -0.04 0.28 0.09 0.00 1.10 0.00 0.00 33.01 34.43 2jqa s GLN 19 CO 0.02 -0.12 0.86 0.21 -0.55 0.00 0.00 175.29 175.71 2jqa s LYS 20 N 0.85 0.97 -0.30 1.67 2.20 -1.26 -5.18 119.74 118.69 2jqa s LYS 20 Ca -0.04 -0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.05 2jqa s LYS 20 Cb -0.05 0.42 0.17 0.00 -1.51 0.00 0.00 37.83 36.86 2jqa s LYS 20 CO -0.07 -0.43 0.92 0.00 -0.36 0.00 0.00 175.35 175.42 2jqa s ALA 21 N -3.25 -2.85 0.00 3.13 0.00 -1.26 -5.15 121.76 112.38 2jqa s ALA 21 Ca 0.06 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2jqa s ALA 21 Cb -0.01 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2jqa s ALA 21 CO -0.07 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 174.90 2jqa n GLY 22 N 5.26 1.12 0.69 0.00 0.00 -1.26 -5.16 105.19 105.84 2jqa n GLY 22 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.00 -1.44 -3.02 4.61 0.00 -1.26 -5.10 120.51 111.30 2jqa n ALA 23 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 2jqa n ALA 23 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 2jqa n ALA 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jqa s GLN 24 N -4.13 0.88 -0.20 0.00 -0.21 -1.26 -5.18 119.66 109.56 2jqa s GLN 24 Ca 0.00 -0.52 -0.29 0.00 0.02 0.00 0.00 55.36 54.57 2jqa s GLN 24 Cb 0.00 0.38 0.13 0.00 1.00 0.00 0.00 33.01 34.53 2jqa s GLN 24 CO 0.00 -0.30 1.05 0.00 -2.12 0.00 0.00 175.29 173.93 2jqa s ALA 25 N -2.79 -1.97 -0.35 6.09 0.00 -1.26 -5.15 121.76 116.33 2jqa s ALA 25 Ca -0.03 1.68 -0.27 0.00 0.00 0.00 0.00 51.96 53.34 2jqa s ALA 25 Cb -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2jqa s ALA 25 CO -0.05 -0.28 0.97 -0.51 0.00 0.00 0.00 175.76 175.89 2jqa s LEU 26 N -0.75 3.97 0.42 0.00 1.02 -1.26 -5.04 118.68 117.04 2jqa s LEU 26 Ca 0.01 0.75 -0.08 0.00 0.02 0.00 0.00 54.13 54.83 2jqa s LEU 26 Cb -0.02 -3.35 -0.05 0.00 0.02 0.00 0.00 46.19 42.79 2jqa s LEU 26 CO -0.02 -0.85 0.75 -2.16 0.02 0.00 0.00 176.35 174.09 2jqa s PRO 27 N 3.51 3.68 0.29 1.29 0.04 -1.26 -5.05 135.00 137.49 2jqa s PRO 27 Ca 0.40 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 2jqa s PRO 27 Cb -0.12 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 31.88 2jqa s PRO 27 CO 0.17 -0.07 1.43 1.55 0.04 0.00 0.00 177.00 180.12 2jqa n VAL 28 N -1.60 1.32 -1.43 -0.36 3.14 -1.26 -5.00 118.33 113.14 2jqa n VAL 28 Ca 0.01 -0.33 -0.30 0.00 -2.96 0.00 0.00 64.34 60.76 2jqa n VAL 28 Cb 0.54 -1.65 0.10 0.00 -1.06 0.00 0.00 33.84 31.77 2jqa n VAL 28 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2jqa s THR 29 N -0.39 3.08 0.03 1.55 -4.23 -1.26 -5.06 115.64 109.36 2jqa s THR 29 Ca 0.63 0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 61.47 2jqa s THR 29 Cb -0.58 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 2jqa s THR 29 CO 0.54 -0.46 0.21 0.54 -0.54 0.00 0.00 174.62 174.91 2jqa s VAL 30 N -3.06 5.39 -1.58 2.29 0.11 -1.26 -4.55 120.40 117.74 2jqa s VAL 30 Ca 0.61 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 2jqa s VAL 30 Cb -0.16 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 2jqa s VAL 30 CO 0.55 0.22 0.48 0.00 -3.33 0.00 0.00 175.10 173.02 2jqa n GLN 31 N 0.58 0.00 0.00 1.54 10.64 -1.23 -4.86 117.38 124.04 2jqa n GLN 31 Ca -0.07 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2jqa n GLN 31 Cb 0.52 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 2jqa n GLN 31 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jqa n GLY 32 N -0.98 1.54 2.40 2.61 0.00 -1.26 -3.65 105.19 105.85 2jqa n GLY 32 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.45 -2.25 4.61 0.00 -1.18 -4.18 120.51 117.07 2jqa n ALA 33 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 2jqa n ALA 33 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 2jqa n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jqa s THR 34 N -2.83 3.79 0.26 0.00 2.01 -0.73 -4.55 115.64 113.59 2jqa s THR 34 Ca 0.00 1.15 -0.19 0.00 0.31 0.00 0.00 61.69 62.97 2jqa s THR 34 Cb 0.00 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 2jqa s THR 34 CO 0.00 -0.01 0.74 -0.69 -0.69 0.00 0.00 174.62 173.97 2jqa s VAL 35 N 2.52 4.58 -0.47 3.82 1.01 -0.30 -0.43 120.40 131.12 2jqa s VAL 35 Ca 0.63 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 63.55 2jqa s VAL 35 Cb -0.30 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2jqa s VAL 35 CO 0.25 0.07 2.03 0.00 0.00 0.00 0.00 175.10 177.46 2jqa s ALA 36 N -1.68 2.24 0.12 5.51 0.00 0.07 -1.26 121.76 126.76 2jqa s ALA 36 Ca 0.47 -0.10 -0.35 0.00 0.00 0.00 0.00 51.96 51.98 2jqa s ALA 36 Cb -0.15 -4.22 -0.17 0.00 0.00 0.00 0.00 23.12 18.58 2jqa s ALA 36 CO 0.20 -3.64 1.11 0.00 0.00 0.00 0.00 175.76 173.42 2jqa n ALA 37 N 12.93 -1.68 -3.17 0.00 0.00 -0.72 -4.70 120.51 123.17 2jqa n ALA 37 Ca 0.26 0.50 -0.13 0.00 0.00 0.00 0.00 53.44 54.08 2jqa n ALA 37 Cb 0.51 -1.93 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 2jqa n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jqa s VAL 38 N -0.11 0.00 0.70 0.00 1.01 -1.18 -4.71 120.40 116.12 2jqa s VAL 38 Ca 0.78 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 2jqa s VAL 38 Cb -0.97 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2jqa s VAL 38 CO 0.53 -0.01 1.06 -2.16 0.00 0.00 0.00 175.10 174.52 2jqa s PRO 39 N 0.07 2.89 0.59 2.72 0.04 -1.26 -3.96 135.00 136.09 2jqa s PRO 39 Ca -0.01 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 2jqa s PRO 39 Cb -0.02 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2jqa s PRO 39 CO 0.01 -1.11 1.17 -1.25 0.04 0.00 0.00 177.00 175.86 2jqa s PRO 40 N -5.10 3.06 0.00 0.56 0.04 -1.26 -3.14 135.00 129.17 2jqa s PRO 40 Ca 0.58 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2jqa s PRO 40 Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2jqa s PRO 40 CO 0.55 -1.10 0.00 0.45 0.04 0.00 0.00 177.00 176.93 2jqa n SER 41 N -1.59 0.00 -4.45 6.66 2.88 -1.26 -5.05 113.62 110.81 2jqa n SER 41 Ca 0.13 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.23 2jqa n SER 41 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 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 -2.33 5.21 -0.48 2.46 -1.09 -1.19 -4.96 121.20 118.83 2jqa s ILE 42 Ca 0.00 -0.65 0.06 0.00 -2.23 0.00 0.00 60.65 57.83 2jqa s ILE 42 Cb 0.00 -3.99 0.45 0.00 -1.58 0.00 0.00 42.46 37.33 2jqa s ILE 42 CO 0.00 -0.39 1.30 -2.11 -1.23 0.00 0.00 174.94 172.51 2jqa n ARG 43 N 5.29 2.83 -4.06 2.79 1.85 -1.26 -4.88 116.66 119.22 2jqa n ARG 43 Ca -0.10 -1.79 -0.18 0.00 -1.00 0.00 0.00 57.85 54.78 2jqa n ARG 43 Cb 0.47 -1.87 -0.16 0.00 -1.05 0.00 0.00 32.46 29.84 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 -0.41 0.67 0.06 2.89 1.11 -1.26 -0.41 116.67 119.32 2jqa s ASP 44 Ca 0.32 -0.08 -0.04 0.00 0.18 0.00 0.00 52.55 52.93 2jqa s ASP 44 Cb 0.25 -0.33 -0.03 0.00 1.07 0.00 0.00 42.92 43.88 2jqa s ASP 44 CO 0.08 -0.07 0.05 0.42 1.18 0.00 0.00 175.17 176.83 2jqa s THR 45 N 0.93 0.19 0.05 -1.27 -4.23 -0.96 -5.02 115.64 105.33 2jqa s THR 45 Ca -0.11 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 2jqa s THR 45 Cb -0.14 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 2jqa s THR 45 CO -0.01 -0.88 -0.12 0.00 -0.54 0.00 0.00 174.62 173.08 2jqa s ALA 46 N -3.90 0.94 0.02 3.99 0.00 -1.26 -0.93 121.76 120.61 2jqa s ALA 46 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2jqa s ALA 46 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2jqa s ALA 46 CO -0.10 0.12 -0.04 0.00 0.00 0.00 0.00 175.76 175.74 2jqa s ALA 47 N -1.09 0.19 -0.07 0.00 0.00 0.11 -0.75 121.76 120.15 2jqa s ALA 47 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2jqa s ALA 47 Cb -0.09 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2jqa s ALA 47 CO 0.01 -0.11 -0.05 0.71 0.00 0.00 0.00 175.76 176.32 2jqa s TYR 48 N -1.26 3.01 -0.21 0.00 2.02 0.43 -3.81 117.35 117.52 2jqa s TYR 48 Ca -0.13 0.08 -0.16 0.00 -0.37 0.00 0.00 57.07 56.49 2jqa s TYR 48 Cb -0.09 -1.73 0.06 0.00 -0.40 0.00 0.00 41.96 39.80 2jqa s TYR 48 CO -0.01 0.38 0.54 -1.64 -1.57 0.00 0.00 175.55 173.25 2jqa s MET 49 N -0.85 0.59 -0.12 -0.62 -1.94 -0.98 -1.78 119.30 113.60 2jqa s MET 49 Ca 0.13 0.86 -0.09 0.00 -1.71 0.00 0.00 55.69 54.88 2jqa s MET 49 Cb -0.11 0.19 0.03 0.00 2.01 0.00 0.00 34.83 36.95 2jqa s MET 49 CO 0.02 -0.11 0.30 0.99 -0.01 0.00 0.00 175.02 176.21 2jqa s THR 50 N 0.86 -0.01 1.04 2.05 2.01 -1.24 -1.17 115.64 119.18 2jqa s THR 50 Ca -0.05 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 2jqa s THR 50 Cb -0.05 -0.43 0.21 0.00 0.01 0.00 0.00 72.50 72.24 2jqa s THR 50 CO -0.07 0.01 1.15 -1.48 -0.69 0.00 0.00 174.62 173.55 2jqa s LEU 51 N 0.45 1.60 -0.16 4.42 -0.00 -0.85 -3.57 118.68 120.57 2jqa s LEU 51 Ca -0.02 0.76 0.07 0.00 -0.00 0.00 0.00 54.13 54.94 2jqa s LEU 51 Cb -0.04 -2.80 0.21 0.00 -0.00 0.00 0.00 46.19 43.56 2jqa s LEU 51 CO -0.02 -3.24 1.25 1.07 -0.00 0.00 0.00 176.35 175.41 2jqa n THR 52 N -4.19 0.04 -2.57 5.48 5.66 -1.26 -4.95 114.28 112.49 2jqa n THR 52 Ca 0.10 -0.56 -0.39 0.00 -3.05 0.00 0.00 64.05 60.14 2jqa n THR 52 Cb 0.59 0.76 -0.05 0.00 -1.55 0.00 0.00 70.33 70.08 2jqa n THR 52 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2jqa s ASN 53 N -1.18 7.26 0.00 1.09 2.47 -1.26 -4.61 114.94 118.70 2jqa s ASN 53 Ca 0.06 2.12 0.15 0.00 0.42 0.00 0.00 52.86 55.61 2jqa s ASN 53 Cb 0.22 -2.61 0.25 0.00 -1.45 0.00 0.00 41.25 37.66 2jqa s ASN 53 CO -0.06 -0.14 1.08 1.17 -3.72 0.00 0.00 177.10 175.43 2jqa n LYS 54 N 0.96 0.00 0.00 0.43 4.81 -1.26 -5.00 118.16 118.10 2jqa n LYS 54 Ca 0.00 -1.54 0.00 0.00 -0.87 0.00 0.00 58.31 55.90 2jqa n LYS 54 Cb 0.47 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.45 2jqa n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jqa n SER 55 N 0.30 0.00 0.00 3.14 7.64 -1.26 -5.07 113.62 118.37 2jqa n SER 55 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqa n SER 55 Cb 0.96 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 2jqa n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jqa n ASP 56 N -1.64 0.00 -3.80 6.43 2.03 -1.26 -5.09 116.55 113.23 2jqa n ASP 56 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2jqa n ASP 56 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2jqa n ASP 56 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jqa s GLN 57 N 0.00 0.90 0.42 -0.67 -0.21 -1.26 -5.12 119.66 113.71 2jqa s GLN 57 Ca 0.00 -1.18 -0.02 0.00 0.02 0.00 0.00 55.36 54.18 2jqa s GLN 57 Cb 0.00 -2.24 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 2jqa s GLN 57 CO 0.00 -0.94 0.67 -1.25 -2.12 0.00 0.00 175.29 171.65 2jqa s PRO 58 N 1.49 3.47 -0.51 2.91 0.04 -1.26 -4.70 135.00 136.43 2jqa s PRO 58 Ca 0.09 -0.10 0.07 0.00 0.04 0.00 0.00 61.00 61.10 2jqa s PRO 58 Cb -0.18 -2.52 0.34 0.00 0.04 0.00 0.00 34.50 32.18 2jqa s PRO 58 CO -0.20 -0.06 0.86 -0.89 0.04 0.00 0.00 177.00 176.75 2jqa n ILE 59 N -2.04 1.97 -1.54 0.56 2.08 -1.22 -5.05 119.36 114.12 2jqa n ILE 59 Ca -0.02 -5.23 -0.20 0.00 0.56 0.00 0.00 62.75 57.86 2jqa n ILE 59 Cb 0.56 -1.10 -0.09 0.00 -0.75 0.00 0.00 39.64 38.26 2jqa n ILE 59 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2jqa n LYS 60 N 0.00 0.53 0.00 0.38 2.85 -1.13 -3.70 118.16 117.10 2jqa n LYS 60 Ca 0.29 -0.51 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 2jqa n LYS 60 Cb 0.48 -3.09 0.00 0.00 -0.65 0.00 0.00 35.03 31.76 2jqa n LYS 60 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jqa n LEU 61 N 15.62 0.00 0.00 -5.58 7.94 -1.26 -3.24 117.00 130.49 2jqa n LEU 61 Ca 0.50 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 2jqa n LEU 61 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.33 2jqa n LEU 61 CO 0.69 -0.47 -0.47 0.52 -1.11 0.00 0.00 177.39 176.55 2jqa n VAL 62 N -1.69 0.08 -2.73 1.96 0.31 -1.11 -3.42 118.33 111.72 2jqa n VAL 62 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2jqa n VAL 62 Cb 0.00 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 3.02 1.43 3.07 2.92 0.00 -1.26 -2.93 105.19 111.44 2jqa n GLY 63 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.00 1.26 0.14 4.61 0.00 -1.26 -4.42 121.76 121.09 2jqa s ALA 64 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2jqa s ALA 64 Cb 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2jqa s ALA 64 CO 0.00 0.20 0.23 0.00 0.00 0.00 0.00 175.76 176.19 2jqa n ALA 65 N 3.32 -0.34 -3.59 0.00 0.00 -0.50 -4.77 120.51 114.63 2jqa n ALA 65 Ca -0.19 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 2jqa n ALA 65 Cb 0.53 0.44 -0.05 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.61 0.00 -1.27 0.00 -1.32 -1.26 -0.61 115.64 108.57 2jqa s THR 66 Ca 0.09 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.86 2jqa s THR 66 Cb -0.01 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.33 2jqa s THR 66 CO 0.06 0.00 1.90 -0.81 -2.21 0.00 0.00 174.62 173.56 2jqa n PRO 67 N 0.66 0.28 0.00 7.08 -0.04 -1.26 -4.26 135.00 137.45 2jqa n PRO 67 Ca -0.08 -0.05 0.15 0.00 -0.04 0.00 0.00 63.50 63.48 2jqa n PRO 67 Cb 0.58 -1.50 0.82 0.00 -0.04 0.00 0.00 33.50 33.36 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 -1.32 0.00 -4.38 1.53 4.77 -1.26 -4.72 117.00 111.62 2jqa n LEU 68 Ca 0.11 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.98 2jqa n LEU 68 Cb 0.30 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2jqa n LEU 68 CO 0.26 0.00 -0.54 0.00 -1.33 0.00 0.00 177.39 175.78 2jqa s ALA 69 N -2.40 2.36 0.14 -1.18 0.00 -1.26 -4.18 121.76 115.24 2jqa s ALA 69 Ca 0.34 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 2jqa s ALA 69 Cb 0.21 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 2jqa s ALA 69 CO 0.43 0.55 1.59 1.15 0.00 0.00 0.00 175.76 179.48 2jqa h THR 70 N 4.15 1.26 -2.96 0.00 2.02 -1.08 -3.37 112.91 112.94 2jqa h THR 70 Ca -0.47 -1.05 -0.61 0.00 0.77 0.00 0.00 66.41 65.05 2jqa h THR 70 Cb 1.15 1.05 -0.40 0.00 -1.74 0.00 0.00 68.15 68.20 2jqa h THR 70 CO 0.45 0.36 -0.73 -0.55 0.37 0.00 0.00 175.52 175.42 2jqa s SER 71 N -6.29 3.63 0.27 4.18 0.15 -0.38 -5.02 113.70 110.24 2jqa s SER 71 Ca -0.13 -2.93 -0.30 0.00 0.70 0.00 0.00 55.95 53.30 2jqa s SER 71 Cb 0.11 -1.11 -0.10 0.00 -1.71 0.00 0.00 66.02 63.20 2jqa s SER 71 CO 0.81 -0.22 1.40 -2.16 1.20 0.00 0.00 173.24 174.27 2jqa s PRO 72 N -0.05 4.30 -0.04 5.44 0.04 -1.26 -3.06 135.00 140.37 2jqa s PRO 72 Ca 0.21 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.55 2jqa s PRO 72 Cb -0.17 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 2jqa s PRO 72 CO -0.05 -0.35 -0.16 1.41 0.04 0.00 0.00 177.00 177.89 2jqa s MET 73 N -0.72 1.59 -0.21 4.56 1.75 0.09 -4.94 119.30 121.42 2jqa s MET 73 Ca 0.56 -0.55 -0.03 0.00 -1.25 0.00 0.00 55.69 54.42 2jqa s MET 73 Cb -0.41 -1.41 0.07 0.00 2.84 0.00 0.00 34.83 35.92 2jqa s MET 73 CO 0.46 0.23 0.06 -0.48 -0.65 0.00 0.00 175.02 174.64 2jqa s LEU 74 N 0.02 1.08 0.15 4.11 2.34 -1.26 -0.44 118.68 124.68 2jqa s LEU 74 Ca -0.02 -0.92 0.02 0.00 0.06 0.00 0.00 54.13 53.27 2jqa s LEU 74 Cb -0.10 -0.54 -0.05 0.00 -0.56 0.00 0.00 46.19 44.94 2jqa s LEU 74 CO 0.02 -0.34 -0.04 -0.04 -1.06 0.00 0.00 176.35 174.89 2jqa s MET 75 N 1.91 1.04 -0.02 1.48 -1.94 -0.81 -2.96 119.30 118.01 2jqa s MET 75 Ca 0.02 -1.48 -0.28 0.00 -1.71 0.00 0.00 55.69 52.24 2jqa s MET 75 Cb -0.17 -0.34 0.10 0.00 2.01 0.00 0.00 34.83 36.42 2jqa s MET 75 CO -0.13 -0.06 0.81 0.95 -0.01 0.00 0.00 175.02 176.59 2jqa s THR 76 N -3.57 0.00 0.14 2.05 -4.23 -1.26 -1.31 115.64 107.45 2jqa s THR 76 Ca 0.20 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.65 2jqa s THR 76 Cb 0.05 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 2jqa s THR 76 CO 0.01 0.00 0.18 0.42 -0.54 0.00 0.00 174.62 174.69 2jqa s THR 77 N -2.35 0.10 0.00 3.99 -4.23 -1.26 -1.97 115.64 109.92 2jqa s THR 77 Ca -0.01 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2jqa s THR 77 Cb -0.01 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.02 2jqa s THR 77 CO -0.03 -0.45 0.00 0.35 -0.54 0.00 0.00 174.62 173.95 2jqa n THR 78 N -0.13 0.00 -3.45 3.99 -2.24 -0.76 -4.69 114.28 107.00 2jqa n THR 78 Ca -0.08 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 2jqa n THR 78 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2jqa n THR 78 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jqa n HIS 79 N 3.06 -1.65 0.00 4.78 8.25 -1.26 -1.40 115.22 127.00 2jqa n HIS 79 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2jqa n HIS 79 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2jqa n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jqa n SER 80 N -2.11 0.00 0.00 0.41 7.64 -1.20 -4.85 113.62 113.51 2jqa n SER 80 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqa n SER 80 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2jqa n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jqa n GLY 81 N -0.42 0.69 2.20 0.23 0.00 -1.26 -2.71 105.19 103.92 2jqa n GLY 81 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 1.98 3.96 -0.02 0.00 -1.26 -4.93 105.19 104.92 2jqa n GLY 82 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.44 0.26 1.61 1.00 -1.26 -5.14 119.30 119.21 2jqa s MET 83 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 55.69 55.10 2jqa s MET 83 Cb 0.00 -2.93 -0.05 0.00 0.00 0.00 0.00 34.83 31.85 2jqa s MET 83 CO 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 175.02 175.38 2jqa s ALA 84 N -1.86 2.37 0.32 3.03 0.00 -1.26 -3.26 121.76 121.10 2jqa s ALA 84 Ca 0.34 -1.84 -0.15 0.00 0.00 0.00 0.00 51.96 50.31 2jqa s ALA 84 Cb -0.10 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2jqa s ALA 84 CO 0.29 0.05 0.66 0.20 0.00 0.00 0.00 175.76 176.96 2jqa s GLY 85 N -3.43 0.40 0.06 0.00 0.00 -0.49 -5.00 107.32 98.86 2jqa s GLY 85 Ca 0.28 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 44.14 2jqa s GLY 85 CO 0.11 -0.39 0.26 -3.16 0.00 0.00 0.00 173.10 169.92 2jqa s MET 86 N -3.27 0.81 -0.91 2.90 0.00 -1.24 -1.82 119.30 115.78 2jqa s MET 86 Ca 0.17 -0.66 -0.18 0.00 0.00 0.00 0.00 55.69 55.02 2jqa s MET 86 Cb -0.04 0.34 -0.11 0.00 0.00 0.00 0.00 34.83 35.02 2jqa s MET 86 CO 0.11 -0.26 2.02 0.36 0.00 0.00 0.00 175.02 177.24 2jqa n LYS 87 N 0.37 1.83 0.00 3.16 2.85 -0.83 -3.98 118.16 121.56 2jqa n LYS 87 Ca -0.18 -1.89 0.00 0.00 -1.05 0.00 0.00 58.31 55.19 2jqa n LYS 87 Cb 0.60 -2.89 0.00 0.00 -0.65 0.00 0.00 35.03 32.09 2jqa n LYS 87 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2jqa n MET 88 N 6.36 2.86 -3.61 -1.58 2.81 -1.26 -4.88 117.12 117.81 2jqa n MET 88 Ca 0.50 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 56.30 2jqa n MET 88 Cb 0.35 -0.69 -0.06 0.00 -0.71 0.00 0.00 33.22 32.11 2jqa n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2jqa s VAL 89 N -1.02 0.00 0.00 2.03 0.11 -1.15 -4.84 120.40 115.53 2jqa s VAL 89 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2jqa s VAL 89 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2jqa s VAL 89 CO 0.00 0.00 0.00 -0.81 -3.33 0.00 0.00 175.10 170.96 2jqa n PRO 90 N 1.46 2.36 -4.08 1.54 -0.04 -1.26 -4.40 135.00 130.58 2jqa n PRO 90 Ca -0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.21 2jqa n PRO 90 Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.00 0.99 -0.34 0.54 -2.14 -1.15 -4.91 118.94 111.92 2jqa s TRP 91 Ca 0.00 -1.23 -0.41 0.00 2.66 0.00 0.00 56.10 57.12 2jqa s TRP 91 Cb 0.00 -0.07 -0.16 0.00 -3.10 0.00 0.00 33.47 30.14 2jqa s TRP 91 CO 0.00 -1.10 1.80 1.47 -2.66 0.00 0.00 176.95 176.46 2jqa n LEU 92 N -0.53 2.04 -4.73 -4.66 -0.00 -1.24 -4.35 117.00 103.53 2jqa n LEU 92 Ca 0.01 0.99 -0.42 0.00 -0.00 0.00 0.00 56.01 56.59 2jqa n LEU 92 Cb 0.62 -1.09 -0.02 0.00 -0.00 0.00 0.00 43.42 42.93 2jqa n LEU 92 CO 0.29 -0.55 1.27 0.41 -0.00 0.00 0.00 177.39 178.81 2jqa n THR 93 N 4.93 0.66 -3.07 1.47 -1.04 -1.24 -3.90 114.28 112.10 2jqa n THR 93 Ca 0.31 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 62.04 2jqa n THR 93 Cb 0.09 -1.93 0.01 0.00 -1.82 0.00 0.00 70.33 66.69 2jqa n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jqa n ILE 94 N 2.75 -2.35 -1.90 12.58 0.13 -1.26 -2.82 119.36 126.50 2jqa n ILE 94 Ca 0.11 0.33 -0.23 0.00 -1.10 0.00 0.00 62.75 61.87 2jqa n ILE 94 Cb 0.35 -2.88 -0.08 0.00 -0.84 0.00 0.00 39.64 36.19 2jqa n ILE 94 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 2jqa s PRO 95 N -1.33 2.03 -0.68 9.51 0.04 -1.23 -4.19 135.00 139.15 2jqa s PRO 95 Ca 0.11 -0.78 -0.09 0.00 0.04 0.00 0.00 61.00 60.28 2jqa s PRO 95 Cb -0.01 -5.12 0.01 0.00 0.04 0.00 0.00 34.50 29.42 2jqa s PRO 95 CO 0.25 -4.45 0.17 0.00 0.04 0.00 0.00 177.00 173.01 2jqa n ALA 96 N 16.28 -1.66 0.00 8.56 0.00 -1.26 -0.85 120.51 141.58 2jqa n ALA 96 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2jqa n ALA 96 Cb 0.46 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.90 0.00 -3.23 0.00 0.00 -1.26 -5.07 116.66 104.20 2jqa n ARG 97 Ca -0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.43 2jqa n ARG 97 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.72 2jqa n ARG 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2jqa s GLY 98 N -1.25 2.17 -1.07 5.14 0.00 -0.03 -5.04 107.32 107.25 2jqa s GLY 98 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 2jqa s GLY 98 CO 0.00 -0.06 1.05 -1.59 0.00 0.00 0.00 173.10 172.49 2jqa s THR 99 N -2.01 5.76 0.12 0.90 2.01 -1.10 -3.54 115.64 117.78 2jqa s THR 99 Ca 0.49 -3.43 -0.31 0.00 0.31 0.00 0.00 61.69 58.75 2jqa s THR 99 Cb -0.11 -4.47 -0.10 0.00 0.01 0.00 0.00 72.50 67.83 2jqa s THR 99 CO 0.23 -1.16 1.85 -0.22 -0.69 0.00 0.00 174.62 174.63 2jqa s LEU 100 N -1.20 4.40 -0.08 4.42 0.20 -1.26 -4.72 118.68 120.45 2jqa s LEU 100 Ca 0.30 2.77 -0.03 0.00 0.69 0.00 0.00 54.13 57.86 2jqa s LEU 100 Cb -0.10 -3.56 0.04 0.00 -0.43 0.00 0.00 46.19 42.14 2jqa s LEU 100 CO -0.09 -1.02 0.08 -0.89 -0.29 0.00 0.00 176.35 174.15 2jqa s THR 101 N 2.85 -0.12 -0.65 3.68 2.01 -1.26 -2.01 115.64 120.14 2jqa s THR 101 Ca 0.82 0.25 0.04 0.00 0.31 0.00 0.00 61.69 63.11 2jqa s THR 101 Cb -0.46 -0.29 0.16 0.00 0.01 0.00 0.00 72.50 71.92 2jqa s THR 101 CO 0.37 0.04 0.42 -0.76 -0.69 0.00 0.00 174.62 174.00 2jqa s LEU 102 N 2.17 4.70 0.05 4.42 1.02 -0.32 -4.90 118.68 125.83 2jqa s LEU 102 Ca 0.04 -3.52 -0.04 0.00 0.02 0.00 0.00 54.13 50.63 2jqa s LEU 102 Cb -0.13 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 2jqa s LEU 102 CO -0.05 -0.15 0.05 -1.10 0.02 0.00 0.00 176.35 175.12 2jqa s GLN 103 N -0.99 0.62 0.00 1.70 -1.52 -0.89 -2.32 119.66 116.26 2jqa s GLN 103 Ca 0.22 -0.97 0.03 0.00 -1.95 0.00 0.00 55.36 52.69 2jqa s GLN 103 Cb -0.13 0.23 0.19 0.00 -0.22 0.00 0.00 33.01 33.09 2jqa s GLN 103 CO -0.10 -0.15 0.67 -2.13 -0.25 0.00 0.00 175.29 173.33 2jqa n ARG 104 N 0.41 0.49 -0.36 2.91 0.63 -1.26 -0.92 116.66 118.56 2jqa n ARG 104 Ca -0.17 0.00 0.26 0.00 -0.92 0.00 0.00 57.85 57.03 2jqa n ARG 104 Cb 0.60 -1.10 0.53 0.00 0.45 0.00 0.00 32.46 32.93 2jqa n ARG 104 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2jqa h ASP 105 N 0.00 0.43 0.00 6.15 5.19 -1.99 -3.41 116.42 122.79 2jqa h ASP 105 Ca 0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2jqa h ASP 105 Cb 0.00 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2jqa h ASP 105 CO 0.00 -0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.68 2jqa n GLY 106 N -1.42 -0.23 0.00 2.75 0.00 -0.41 -5.07 105.19 100.81 2jqa n GLY 106 Ca 0.31 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2jqa n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jqa n ASP 107 N -2.84 0.00 -2.33 1.61 8.00 -0.10 -4.66 116.55 116.23 2jqa n ASP 107 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2jqa n ASP 107 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2jqa n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jqa n HIS 108 N -0.16 -1.54 -2.59 1.24 1.44 -0.43 -2.09 115.22 111.10 2jqa n HIS 108 Ca 0.00 -1.05 -0.40 0.00 -2.01 0.00 0.00 57.72 54.26 2jqa n HIS 108 Cb 0.00 0.52 -0.05 0.00 0.12 0.00 0.00 29.99 30.58 2jqa n HIS 108 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2jqa s VAL 109 N -2.33 3.74 -0.10 0.61 0.11 -1.25 -1.92 120.40 119.26 2jqa s VAL 109 Ca 0.13 1.68 -0.04 0.00 -2.93 0.00 0.00 61.98 60.81 2jqa s VAL 109 Cb -0.03 -4.04 0.05 0.00 -1.53 0.00 0.00 36.38 30.83 2jqa s VAL 109 CO 0.06 0.35 0.22 -0.04 -3.33 0.00 0.00 175.10 172.35 2jqa s MET 110 N -1.53 0.13 -0.69 1.54 1.00 0.42 -0.71 119.30 119.46 2jqa s MET 110 Ca 0.45 0.58 -0.12 0.00 0.00 0.00 0.00 55.69 56.61 2jqa s MET 110 Cb -0.28 -0.13 0.18 0.00 0.00 0.00 0.00 34.83 34.60 2jqa s MET 110 CO 0.35 -0.23 0.60 -0.51 0.00 0.00 0.00 175.02 175.23 2jqa s LEU 111 N 1.84 6.23 -0.00 -0.03 2.01 -0.11 -0.74 118.68 127.89 2jqa s LEU 111 Ca -0.03 -2.47 0.00 0.00 0.01 0.00 0.00 54.13 51.64 2jqa s LEU 111 Cb -0.11 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 43.93 2jqa s LEU 111 CO -0.08 -0.60 0.04 -0.32 1.01 0.00 0.00 176.35 176.40 2jqa s MET 112 N 0.52 2.92 -0.70 1.70 1.75 -1.17 -2.26 119.30 122.06 2jqa s MET 112 Ca 0.14 -0.55 -0.04 0.00 -1.25 0.00 0.00 55.69 53.99 2jqa s MET 112 Cb -0.18 -2.76 0.00 0.00 2.84 0.00 0.00 34.83 34.74 2jqa s MET 112 CO -0.05 0.64 0.61 0.41 -0.65 0.00 0.00 175.02 175.98 2jqa n GLY 113 N 1.31 0.14 3.76 2.11 0.00 -0.31 -1.24 105.19 110.96 2jqa n GLY 113 Ca -0.14 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 2jqa n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqa s LEU 114 N -4.31 3.21 0.00 0.99 2.96 0.46 -1.06 118.68 120.92 2jqa s LEU 114 Ca 0.26 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 2jqa s LEU 114 Cb -0.11 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.04 2jqa s LEU 114 CO 0.38 -1.90 0.00 2.29 -1.32 0.00 0.00 176.35 175.80 2jqa n LYS 115 N -2.98 2.98 -3.55 1.98 2.85 -1.26 -4.62 118.16 113.55 2jqa n LYS 115 Ca 0.10 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.13 2jqa n LYS 115 Cb 0.52 -0.36 -0.15 0.00 -0.65 0.00 0.00 35.03 34.40 2jqa n LYS 115 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2jqa s ARG 116 N -0.41 0.13 0.29 -1.58 1.70 -1.26 -5.16 118.95 112.66 2jqa s ARG 116 Ca 0.00 -0.02 -0.24 0.00 -0.47 0.00 0.00 55.73 55.01 2jqa s ARG 116 Cb 0.00 -1.50 -0.09 0.00 -0.57 0.00 0.00 34.95 32.79 2jqa s ARG 116 CO 0.00 -0.71 0.86 -1.25 -1.08 0.00 0.00 175.30 173.12 2jqa s PRO 117 N 2.21 4.45 0.30 3.89 0.04 -1.26 -5.06 135.00 139.58 2jqa s PRO 117 Ca 0.05 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.32 2jqa s PRO 117 Cb -0.16 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 2jqa s PRO 117 CO -0.14 0.32 -0.07 -0.51 0.04 0.00 0.00 177.00 176.65 2jqa s LEU 118 N -2.04 2.57 0.22 -3.56 1.43 -1.25 -4.98 118.68 111.06 2jqa s LEU 118 Ca 0.48 -1.20 0.10 0.00 -1.03 0.00 0.00 54.13 52.48 2jqa s LEU 118 Cb -0.18 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2jqa s LEU 118 CO 0.23 -0.30 -0.14 -1.59 0.23 0.00 0.00 176.35 174.78 2jqa s LYS 119 N -3.69 1.89 0.00 1.70 -2.85 -1.26 -3.09 119.74 112.44 2jqa s LYS 119 Ca 0.31 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 2jqa s LYS 119 Cb 0.03 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2jqa s LYS 119 CO 0.14 0.39 0.45 1.55 0.10 0.00 0.00 175.35 177.97 2jqa n VAL 120 N -0.21 0.00 0.24 1.79 3.14 -1.26 -2.06 118.33 119.97 2jqa n VAL 120 Ca -0.09 0.85 0.02 0.00 -2.96 0.00 0.00 64.34 62.15 2jqa n VAL 120 Cb 0.57 -1.24 0.12 0.00 -1.06 0.00 0.00 33.84 32.23 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 -0.91 -0.22 3.76 7.55 0.00 -1.26 -2.25 105.19 111.86 2jqa n GLY 121 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.18 2.77 -0.13 1.61 2.12 -0.87 -4.87 118.70 117.15 2jqa s GLU 122 Ca 0.06 1.47 -0.13 0.00 0.36 0.00 0.00 54.97 56.73 2jqa s GLU 122 Cb 0.03 -1.94 -0.05 0.00 0.26 0.00 0.00 34.13 32.43 2jqa s GLU 122 CO 0.05 -1.29 0.28 0.95 -0.54 0.00 0.00 175.26 174.72 2jqa s THR 123 N -2.21 5.30 0.01 -1.70 -4.23 -1.26 -2.77 115.64 108.77 2jqa s THR 123 Ca 0.69 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 61.75 2jqa s THR 123 Cb -0.22 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 2jqa s THR 123 CO 0.40 0.45 -0.07 0.54 -0.54 0.00 0.00 174.62 175.40 2jqa s VAL 124 N 0.00 0.57 -0.36 2.29 0.11 0.42 -5.00 120.40 118.44 2jqa s VAL 124 Ca 0.17 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.59 2jqa s VAL 124 Cb -0.13 -0.51 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2jqa s VAL 124 CO 0.05 0.06 0.47 0.20 -3.33 0.00 0.00 175.10 172.56 2jqa s ASN 125 N -0.44 6.27 -0.02 3.54 -0.87 -1.26 -0.42 114.94 121.75 2jqa s ASN 125 Ca 0.01 -0.14 0.05 0.00 -1.57 0.00 0.00 52.86 51.20 2jqa s ASN 125 Cb -0.04 -2.25 -0.03 0.00 -0.02 0.00 0.00 41.25 38.91 2jqa s ASN 125 CO -0.00 -0.46 -0.15 -0.51 -2.57 0.00 0.00 177.10 173.41 2jqa s ILE 126 N 2.30 3.00 -0.16 0.60 -1.16 -0.34 -4.69 121.20 120.76 2jqa s ILE 126 Ca 0.17 -0.86 -0.02 0.00 -0.51 0.00 0.00 60.65 59.43 2jqa s ILE 126 Cb -0.16 -2.21 -0.01 0.00 0.61 0.00 0.00 42.46 40.69 2jqa s ILE 126 CO 0.13 0.51 -0.10 -0.89 -2.81 0.00 0.00 174.94 171.78 2jqa s THR 127 N -0.80 3.24 -0.32 4.00 2.01 0.22 -0.61 115.64 123.38 2jqa s THR 127 Ca 0.13 -0.58 0.17 0.00 0.31 0.00 0.00 61.69 61.72 2jqa s THR 127 Cb -0.11 -2.40 0.45 0.00 0.01 0.00 0.00 72.50 70.46 2jqa s THR 127 CO 0.02 0.50 1.12 0.00 -0.69 0.00 0.00 174.62 175.57 2jqa n LEU 128 N 3.85 0.59 -4.69 4.42 -0.00 -0.15 -1.42 117.00 119.61 2jqa n LEU 128 Ca -0.18 -3.45 -0.62 0.00 -0.00 0.00 0.00 56.01 51.76 2jqa n LEU 128 Cb 0.52 0.34 -0.09 0.00 -0.00 0.00 0.00 43.42 44.19 2jqa n LEU 128 CO 0.30 1.51 1.10 0.29 -0.00 0.00 0.00 177.39 180.60 2jqa n LYS 129 N -0.43 0.43 -0.68 1.47 5.02 -1.13 -4.51 118.16 118.34 2jqa n LYS 129 Ca 0.04 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.20 2jqa n LYS 129 Cb 0.83 -1.72 0.23 0.00 -0.02 0.00 0.00 35.03 34.34 2jqa n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jqa s ALA 130 N 2.56 -0.10 0.61 7.82 0.00 -1.21 -2.76 121.76 128.68 2jqa s ALA 130 Ca 1.00 -0.14 0.39 0.00 0.00 0.00 0.00 51.96 53.20 2jqa s ALA 130 Cb -1.30 -3.23 2.16 0.00 0.00 0.00 0.00 23.12 20.75 2jqa s ALA 130 CO 0.71 -3.60 2.31 0.00 0.00 0.00 0.00 175.76 175.18 2jqa h THR 131 N -2.45 0.21 -0.68 0.00 1.03 -1.57 0.49 112.91 109.95 2jqa h THR 131 Ca -0.59 -0.04 -0.15 0.00 -0.01 0.00 0.00 66.41 65.62 2jqa h THR 131 Cb 1.33 1.03 -0.09 0.00 -1.07 0.00 0.00 68.15 69.35 2jqa h THR 131 CO 0.51 0.01 0.19 -0.67 -0.01 0.00 0.00 175.52 175.54 2jqa n ASP 132 N -3.37 5.03 0.00 0.00 2.03 -1.26 -4.92 116.55 114.06 2jqa n ASP 132 Ca -0.03 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.13 2jqa n ASP 132 Cb 0.09 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 2jqa n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqa n GLY 133 N 0.02 1.27 3.56 0.27 0.00 0.16 -4.92 105.19 105.55 2jqa n GLY 133 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.16 3.05 0.01 1.61 3.00 -1.25 -4.27 118.95 120.95 2jqa s ARG 134 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 55.73 54.38 2jqa s ARG 134 Cb 0.00 -4.78 0.00 0.00 0.00 0.00 0.00 34.95 30.17 2jqa s ARG 134 CO 0.00 -2.56 0.00 2.41 0.00 0.00 0.00 175.30 175.15 2jqa n THR 135 N 7.04 -1.12 0.17 4.11 -1.04 -1.26 -3.54 114.28 118.65 2jqa n THR 135 Ca 0.24 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 2jqa n THR 135 Cb 0.50 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 -0.83 -2.01 -4.59 -4.42 -0.00 -1.26 -2.82 117.00 101.06 2jqa n LEU 136 Ca 0.00 0.64 -0.43 0.00 -0.00 0.00 0.00 56.01 56.22 2jqa n LEU 136 Cb 0.00 2.00 -0.02 0.00 -0.00 0.00 0.00 43.42 45.39 2jqa n LEU 136 CO 0.00 -0.27 1.13 0.21 -0.00 0.00 0.00 177.39 178.46 2jqa s ASN 137 N -3.53 6.45 -0.03 1.45 2.47 -1.26 -0.97 114.94 119.52 2jqa s ASN 137 Ca 0.00 0.49 0.05 0.00 0.42 0.00 0.00 52.86 53.81 2jqa s ASN 137 Cb 0.00 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.25 2jqa s ASN 137 CO 0.00 -1.40 -0.17 -0.69 -3.72 0.00 0.00 177.10 171.12 2jqa s VAL 138 N 5.02 1.38 -0.70 -5.21 1.01 0.22 -5.02 120.40 117.09 2jqa s VAL 138 Ca 0.52 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2jqa s VAL 138 Cb -0.09 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.13 2jqa s VAL 138 CO 0.30 0.40 1.44 0.00 0.00 0.00 0.00 175.10 177.24 2jqa s ALA 139 N -0.12 2.59 0.70 5.51 0.00 -1.26 -1.19 121.76 127.98 2jqa s ALA 139 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 2jqa s ALA 139 Cb -0.10 -4.27 0.01 0.00 0.00 0.00 0.00 23.12 18.76 2jqa s ALA 139 CO 0.01 -3.45 1.07 0.00 0.00 0.00 0.00 175.76 173.39 2jqa s ALA 140 N 6.65 2.81 0.37 0.00 0.00 0.44 -4.90 121.76 127.13 2jqa s ALA 140 Ca 0.44 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.29 2jqa s ALA 140 Cb -0.09 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2jqa s ALA 140 CO 0.17 -1.13 0.13 0.99 0.00 0.00 0.00 175.76 175.92 2jqa s THR 141 N -3.23 2.62 0.32 0.00 2.01 -1.26 -0.44 115.64 115.67 2jqa s THR 141 Ca 0.58 -1.75 0.07 0.00 0.31 0.00 0.00 61.69 60.90 2jqa s THR 141 Cb -0.12 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2jqa s THR 141 CO 0.53 -0.11 0.28 -0.69 -0.69 0.00 0.00 174.62 173.95 2jqa s VAL 142 N -2.52 3.75 -0.17 3.82 1.01 -0.95 -1.15 120.40 124.18 2jqa s VAL 142 Ca 0.39 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 2jqa s VAL 142 Cb 0.01 -3.24 0.14 0.00 0.00 0.00 0.00 36.38 33.28 2jqa s VAL 142 CO 0.22 -0.21 1.07 -0.75 0.00 0.00 0.00 175.10 175.43 2jqa s LYS 143 N -3.97 0.50 0.45 2.72 2.20 -0.39 -4.29 119.74 116.96 2jqa s LYS 143 Ca 0.39 0.07 -0.22 0.00 -0.36 0.00 0.00 55.97 55.85 2jqa s LYS 143 Cb -0.06 0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.40 2jqa s LYS 143 CO 0.26 -0.17 1.04 -1.59 -0.36 0.00 0.00 175.35 174.53 2jqa s LYS 144 N -1.36 3.97 0.00 4.03 -2.85 -1.26 -1.76 119.74 120.52 2jqa s LYS 144 Ca 0.01 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.39 2jqa s LYS 144 Cb -0.01 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.49 2jqa s LYS 144 CO -0.01 -0.29 0.13 -1.71 0.10 0.00 0.00 175.35 173.57 2jqa n ASN 145 N -0.59 0.00 0.08 0.03 2.85 -1.26 -4.92 115.26 111.45 2jqa n ASN 145 Ca 0.07 -0.70 0.00 0.00 -0.11 0.00 0.00 54.58 53.85 2jqa n ASN 145 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 2jqa n ASN 145 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2jqa n ILE 146 N 0.00 0.02 -3.00 -1.44 5.41 -1.26 -5.09 119.36 114.00 2jqa n ILE 146 Ca 0.00 0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.64 2jqa n ILE 146 Cb 0.35 -0.30 0.06 0.00 -0.71 0.00 0.00 39.64 39.05 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 -3.03 -4.29 -0.01 0.38 2.13 -1.26 -4.94 120.64 109.61 2jqa n GLU 147 Ca 0.00 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2jqa n GLU 147 Cb 0.00 -4.90 0.01 0.00 0.27 0.00 0.00 31.44 26.81 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqa n GLY 148 N -1.13 -0.60 0.00 8.31 0.00 -1.26 -5.17 105.19 105.35 2jqa n GLY 148 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2jqa n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19