#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 0.40 3.30 3.17 0.00 -1.26 -5.15 105.19 105.64 2jqa n GLY 2 Ca 0.00 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.00 1.81 0.06 1.61 0.09 -1.26 -5.19 115.29 108.41 2jqa s HIS 3 Ca 0.00 -1.68 -0.02 0.00 -0.00 0.00 0.00 55.06 53.36 2jqa s HIS 3 Cb 0.00 -0.74 0.01 0.00 -0.00 0.00 0.00 32.58 31.85 2jqa s HIS 3 CO 0.00 -0.88 0.12 -2.37 -0.00 0.00 0.00 174.74 171.61 2jqa n THR 4 N -0.66 0.00 -3.54 1.30 5.66 -1.26 -5.20 114.28 110.58 2jqa n THR 4 Ca 0.08 -0.15 -0.17 0.00 -3.05 0.00 0.00 64.05 60.76 2jqa n THR 4 Cb 0.62 0.15 -0.06 0.00 -1.55 0.00 0.00 70.33 69.49 2jqa n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jqa s MET 5 N -2.01 0.97 0.22 1.09 0.00 -1.26 -5.18 119.30 113.13 2jqa s MET 5 Ca 0.02 0.33 -0.22 0.00 0.00 0.00 0.00 55.69 55.82 2jqa s MET 5 Cb -0.01 0.46 -0.08 0.00 0.00 0.00 0.00 34.83 35.20 2jqa s MET 5 CO 0.02 -0.28 0.77 -1.25 0.00 0.00 0.00 175.02 174.28 2jqa s PRO 6 N -1.00 4.38 0.08 3.16 0.04 -1.26 -5.09 135.00 135.31 2jqa s PRO 6 Ca -0.09 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.03 2jqa s PRO 6 Cb -0.01 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2jqa s PRO 6 CO 0.08 0.42 -0.09 0.00 0.04 0.00 0.00 177.00 177.45 2jqa s ALA 7 N -1.44 2.97 0.93 8.56 0.00 -1.26 -5.16 121.76 126.36 2jqa s ALA 7 Ca 0.42 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2jqa s ALA 7 Cb -0.19 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2jqa s ALA 7 CO 0.23 0.64 0.00 -2.39 0.00 0.00 0.00 175.76 174.23 2jqa n HIS 8 N 0.94 -3.69 -3.67 0.00 1.44 -1.26 -5.14 115.22 103.84 2jqa n HIS 8 Ca -0.14 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.42 2jqa n HIS 8 Cb 0.52 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.56 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 -0.81 0.03 -0.07 0.61 -1.32 -1.26 -5.14 115.64 107.69 2jqa s THR 9 Ca 0.00 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 59.92 2jqa s THR 9 Cb 0.00 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.19 2jqa s THR 9 CO 0.00 -0.14 1.47 -2.16 -2.21 0.00 0.00 174.62 171.58 2jqa s PRO 10 N -1.12 4.22 0.23 7.08 0.04 -1.26 -5.03 135.00 139.16 2jqa s PRO 10 Ca -0.11 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 2jqa s PRO 10 Cb -0.03 -3.80 0.05 0.00 0.04 0.00 0.00 34.50 30.75 2jqa s PRO 10 CO 0.06 -0.73 0.31 -0.35 0.04 0.00 0.00 177.00 176.33 2jqa n PRO 11 N 6.48 -0.13 -1.91 0.56 -0.04 -1.26 -5.10 135.00 133.60 2jqa n PRO 11 Ca 0.15 -0.55 -0.29 0.00 -0.04 0.00 0.00 63.50 62.77 2jqa n PRO 11 Cb 0.44 -0.30 0.09 0.00 -0.04 0.00 0.00 33.50 33.69 2jqa n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jqa s ALA 12 N -3.71 2.67 -0.08 0.55 0.00 -1.26 -5.12 121.76 114.81 2jqa s ALA 12 Ca 0.18 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 2jqa s ALA 12 Cb -0.01 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.22 2jqa s ALA 12 CO 0.13 -1.66 0.59 1.14 0.00 0.00 0.00 175.76 175.96 2jqa s GLN 13 N -5.56 0.90 0.40 0.00 -2.07 -1.26 -5.18 119.66 106.89 2jqa s GLN 13 Ca 0.62 0.30 -0.01 0.00 -1.82 0.00 0.00 55.36 54.45 2jqa s GLN 13 Cb -0.11 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.21 2jqa s GLN 13 CO 0.49 -0.24 0.63 -0.08 -1.32 0.00 0.00 175.29 174.76 2jqa s THR 14 N -0.88 4.87 -0.43 3.63 -1.32 -1.26 -5.09 115.64 115.16 2jqa s THR 14 Ca -0.09 -0.31 -0.15 0.00 -1.21 0.00 0.00 61.69 59.93 2jqa s THR 14 Cb -0.02 -3.80 0.04 0.00 -1.51 0.00 0.00 72.50 67.21 2jqa s THR 14 CO 0.07 -0.59 0.33 0.00 -2.21 0.00 0.00 174.62 172.22 2jqa s ALA 15 N -2.46 3.50 0.70 11.08 0.00 -1.26 -5.09 121.76 128.23 2jqa s ALA 15 Ca 0.43 -1.83 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 2jqa s ALA 15 Cb -0.10 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.09 2jqa s ALA 15 CO 0.39 -1.54 1.06 -1.25 0.00 0.00 0.00 175.76 174.41 2jqa s PRO 16 N 1.68 2.87 0.59 0.00 0.04 -1.26 -5.04 135.00 133.88 2jqa s PRO 16 Ca 0.05 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 61.83 2jqa s PRO 16 Cb -0.21 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2jqa s PRO 16 CO 0.09 -1.14 1.17 0.00 0.04 0.00 0.00 177.00 177.16 2jqa s ALA 17 N -3.05 2.57 0.08 8.56 0.00 -1.26 -4.94 121.76 123.71 2jqa s ALA 17 Ca 0.58 0.89 -0.34 0.00 0.00 0.00 0.00 51.96 53.10 2jqa s ALA 17 Cb -0.14 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 2jqa s ALA 17 CO 0.55 -1.08 1.71 0.00 0.00 0.00 0.00 175.76 176.94 2jqa n ALA 18 N -1.64 1.37 -2.61 0.00 0.00 -1.26 -4.96 120.51 111.43 2jqa n ALA 18 Ca 0.13 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.68 2jqa n ALA 18 Cb 0.50 -2.43 -0.09 0.00 0.00 0.00 0.00 19.45 17.43 2jqa n ALA 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jqa s GLN 19 N 2.13 2.18 -0.08 0.00 -1.52 -1.26 -5.13 119.66 115.99 2jqa s GLN 19 Ca 0.83 -1.26 -0.16 0.00 -1.95 0.00 0.00 55.36 52.83 2jqa s GLN 19 Cb -0.65 -2.21 0.03 0.00 -0.22 0.00 0.00 33.01 29.97 2jqa s GLN 19 CO 0.42 0.43 0.38 -1.59 -0.25 0.00 0.00 175.29 174.67 2jqa s LYS 20 N -3.02 0.61 0.10 2.91 0.00 -1.26 -5.17 119.74 113.91 2jqa s LYS 20 Ca 0.27 0.17 0.08 0.00 0.00 0.00 0.00 55.97 56.49 2jqa s LYS 20 Cb -0.08 0.28 -0.03 0.00 0.00 0.00 0.00 37.83 37.99 2jqa s LYS 20 CO 0.17 -0.14 -0.20 0.00 0.00 0.00 0.00 175.35 175.18 2jqa s ALA 21 N -0.64 1.75 0.00 0.59 0.00 -1.26 -5.15 121.76 117.06 2jqa s ALA 21 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2jqa s ALA 21 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2jqa s ALA 21 CO 0.03 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2jqa n GLY 22 N 1.10 1.95 0.94 0.00 0.00 -1.26 -5.10 105.19 102.82 2jqa n GLY 22 Ca -0.20 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2jqa n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqa n ALA 23 N 0.00 2.79 -0.99 4.61 0.00 -1.26 -5.18 120.51 120.49 2jqa n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jqa n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jqa n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jqa n GLN 24 N -2.19 -2.77 0.00 0.00 6.02 -1.26 -4.77 117.38 112.41 2jqa n GLN 24 Ca 0.00 2.09 0.00 0.00 -0.01 0.00 0.00 57.00 59.08 2jqa n GLN 24 Cb 0.00 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 28.85 2jqa n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqa n ALA 25 N -1.26 2.28 -2.46 -1.58 0.00 -1.26 -4.93 120.51 111.31 2jqa n ALA 25 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2jqa n ALA 25 Cb 0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.04 4.31 -1.58 0.00 2.01 -1.26 -4.92 118.68 117.20 2jqa s LEU 26 Ca 0.00 1.87 -0.10 0.00 0.01 0.00 0.00 54.13 55.91 2jqa s LEU 26 Cb 0.00 -3.56 -0.08 0.00 0.01 0.00 0.00 46.19 42.56 2jqa s LEU 26 CO 0.00 -0.53 2.86 -0.81 1.01 0.00 0.00 176.35 178.88 2jqa n PRO 27 N 4.76 3.55 -4.28 1.29 -0.04 -1.26 -4.83 135.00 134.18 2jqa n PRO 27 Ca 0.10 -2.19 -0.19 0.00 -0.04 0.00 0.00 63.50 61.17 2jqa n PRO 27 Cb 0.46 -2.82 -0.16 0.00 -0.04 0.00 0.00 33.50 30.95 2jqa n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jqa s VAL 28 N 2.33 0.65 -0.02 0.52 1.01 -1.26 -4.87 120.40 118.75 2jqa s VAL 28 Ca 0.67 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 2jqa s VAL 28 Cb 0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2jqa s VAL 28 CO -0.06 0.22 1.00 -0.89 0.00 0.00 0.00 175.10 175.37 2jqa s THR 29 N 0.38 4.80 -0.02 3.92 2.01 -1.26 -5.00 115.64 120.46 2jqa s THR 29 Ca -0.05 2.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.67 2jqa s THR 29 Cb -0.10 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2jqa s THR 29 CO 0.00 0.12 0.97 0.54 -0.69 0.00 0.00 174.62 175.56 2jqa s VAL 30 N 1.29 4.87 -0.66 3.82 0.11 -1.26 -4.38 120.40 124.18 2jqa s VAL 30 Ca 0.52 2.02 0.14 0.00 -2.93 0.00 0.00 61.98 61.73 2jqa s VAL 30 Cb -0.21 -4.30 0.14 0.00 -1.53 0.00 0.00 36.38 30.48 2jqa s VAL 30 CO 0.25 0.14 1.44 0.00 -3.33 0.00 0.00 175.10 173.61 2jqa n GLN 31 N 4.08 0.08 -3.65 1.54 10.64 -1.25 -4.90 117.38 123.93 2jqa n GLN 31 Ca 0.06 0.47 -0.30 0.00 -1.83 0.00 0.00 57.00 55.39 2jqa n GLN 31 Cb 0.51 -1.71 0.05 0.00 -0.86 0.00 0.00 30.24 28.22 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 -0.78 -1.01 3.07 2.61 0.00 -1.26 -3.26 105.19 104.55 2jqa n GLY 32 Ca 0.01 0.47 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.09 0.25 -2.69 4.61 0.00 -1.26 -4.66 120.51 112.66 2jqa n ALA 33 Ca -0.09 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 2jqa n ALA 33 Cb 0.59 -1.98 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 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 7.50 5.38 0.04 0.00 2.01 0.23 -1.52 115.64 129.27 2jqa s THR 34 Ca 1.18 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 63.29 2jqa s THR 34 Cb -1.16 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.81 2jqa s THR 34 CO 0.46 0.39 0.32 -0.69 -0.69 0.00 0.00 174.62 174.41 2jqa s VAL 35 N 0.76 5.22 -0.73 3.82 1.01 0.34 -0.95 120.40 129.87 2jqa s VAL 35 Ca 0.08 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.10 2jqa s VAL 35 Cb -0.12 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.72 2jqa s VAL 35 CO 0.02 0.34 1.10 0.00 0.00 0.00 0.00 175.10 176.55 2jqa s ALA 36 N -1.34 3.01 0.62 5.51 0.00 0.02 -1.43 121.76 128.16 2jqa s ALA 36 Ca 0.30 -1.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.24 2jqa s ALA 36 Cb -0.13 -4.03 -0.12 0.00 0.00 0.00 0.00 23.12 18.83 2jqa s ALA 36 CO 0.17 -2.99 -0.00 0.00 0.00 0.00 0.00 175.76 172.93 2jqa n ALA 37 N 8.12 -2.84 -3.34 0.00 0.00 -1.26 -4.41 120.51 116.78 2jqa n ALA 37 Ca 0.03 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 2jqa n ALA 37 Cb 0.47 -1.51 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 2jqa n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jqa s VAL 38 N -1.94 0.03 1.03 0.00 -7.23 0.27 -4.81 120.40 107.76 2jqa s VAL 38 Ca 0.58 -0.28 -0.13 0.00 -1.81 0.00 0.00 61.98 60.34 2jqa s VAL 38 Cb -0.42 -0.75 0.21 0.00 0.56 0.00 0.00 36.38 35.98 2jqa s VAL 38 CO 0.65 -0.15 1.09 -2.16 -0.31 0.00 0.00 175.10 174.22 2jqa s PRO 39 N -1.16 0.17 0.84 4.82 0.04 -1.26 -2.47 135.00 135.97 2jqa s PRO 39 Ca -0.12 0.46 -0.13 0.00 0.04 0.00 0.00 61.00 61.26 2jqa s PRO 39 Cb -0.03 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.88 2jqa s PRO 39 CO 0.06 -2.90 1.10 -0.35 0.04 0.00 0.00 177.00 174.95 2jqa n PRO 40 N -4.28 0.01 -0.68 0.56 -0.04 -1.26 -3.29 135.00 126.02 2jqa n PRO 40 Ca 0.05 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2jqa n PRO 40 Cb 0.57 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 -3.19 0.00 -4.89 3.54 2.88 -1.26 -5.04 113.62 105.66 2jqa n SER 41 Ca 0.13 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.34 2jqa n SER 41 Cb 0.51 -0.37 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 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 -3.29 5.21 -0.01 2.46 -1.09 -1.21 -5.04 121.20 118.24 2jqa s ILE 42 Ca 0.00 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.52 2jqa s ILE 42 Cb 0.00 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2jqa s ILE 42 CO 0.00 0.17 0.77 0.54 -1.23 0.00 0.00 174.94 175.19 2jqa n ARG 43 N 0.50 0.23 -4.42 2.79 1.74 -1.26 -3.93 116.66 112.32 2jqa n ARG 43 Ca -0.06 -0.87 -0.25 0.00 -0.77 0.00 0.00 57.85 55.91 2jqa n ARG 43 Cb 0.52 -0.58 -0.13 0.00 -1.02 0.00 0.00 32.46 31.25 2jqa n ARG 43 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jqa s ASP 44 N -0.61 2.55 0.01 0.55 1.11 -1.26 -0.47 116.67 118.55 2jqa s ASP 44 Ca 0.02 -0.63 -0.05 0.00 0.18 0.00 0.00 52.55 52.06 2jqa s ASP 44 Cb 0.01 -0.17 -0.01 0.00 1.07 0.00 0.00 42.92 43.83 2jqa s ASP 44 CO 0.00 0.10 0.09 0.42 1.18 0.00 0.00 175.17 176.96 2jqa s THR 45 N -1.03 0.10 0.64 -1.27 -4.23 -0.94 -4.93 115.64 103.98 2jqa s THR 45 Ca 0.07 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.71 2jqa s THR 45 Cb -0.10 -0.44 0.01 0.00 1.34 0.00 0.00 72.50 73.31 2jqa s THR 45 CO 0.03 -0.43 0.99 0.00 -0.54 0.00 0.00 174.62 174.67 2jqa s ALA 46 N -1.53 3.12 0.08 3.99 0.00 -1.26 -0.51 121.76 125.63 2jqa s ALA 46 Ca -0.14 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 2jqa s ALA 46 Cb -0.08 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2jqa s ALA 46 CO 0.00 -0.92 0.11 0.00 0.00 0.00 0.00 175.76 174.95 2jqa s ALA 47 N -3.15 0.05 0.22 0.00 0.00 -0.56 -0.80 121.76 117.52 2jqa s ALA 47 Ca 0.55 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 2jqa s ALA 47 Cb -0.11 0.42 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 2jqa s ALA 47 CO 0.48 -0.46 0.41 0.71 0.00 0.00 0.00 175.76 176.90 2jqa s TYR 48 N -3.89 0.39 0.05 0.00 2.02 -0.13 -3.11 117.35 112.68 2jqa s TYR 48 Ca 0.06 -0.73 -0.28 0.00 -0.37 0.00 0.00 57.07 55.74 2jqa s TYR 48 Cb 0.06 0.09 0.09 0.00 -0.40 0.00 0.00 41.96 41.80 2jqa s TYR 48 CO -0.10 -0.89 1.07 0.00 -1.57 0.00 0.00 175.55 174.06 2jqa s MET 49 N -4.00 0.82 -0.16 -0.62 0.23 -0.64 -0.60 119.30 114.34 2jqa s MET 49 Ca 0.21 -0.43 -0.04 0.00 -1.03 0.00 0.00 55.69 54.40 2jqa s MET 49 Cb 0.01 0.30 0.08 0.00 -1.53 0.00 0.00 34.83 33.68 2jqa s MET 49 CO 0.06 -0.37 0.27 0.99 -2.03 0.00 0.00 175.02 173.93 2jqa s THR 50 N -2.93 -0.42 -0.87 3.16 2.01 -1.20 -0.96 115.64 114.44 2jqa s THR 50 Ca 0.12 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 2jqa s THR 50 Cb 0.01 -0.53 0.20 0.00 0.01 0.00 0.00 72.50 72.19 2jqa s THR 50 CO -0.02 0.03 0.87 -0.22 -0.69 0.00 0.00 174.62 174.59 2jqa s LEU 51 N 2.42 6.38 0.36 4.42 0.20 -0.36 -3.74 118.68 128.36 2jqa s LEU 51 Ca 0.03 -2.61 -0.28 0.00 0.69 0.00 0.00 54.13 51.96 2jqa s LEU 51 Cb -0.13 -2.25 -0.11 0.00 -0.43 0.00 0.00 46.19 43.27 2jqa s LEU 51 CO -0.10 -0.66 1.42 0.28 -0.29 0.00 0.00 176.35 177.00 2jqa s THR 52 N 0.62 2.30 -0.05 3.68 -1.32 -1.26 -2.79 115.64 116.82 2jqa s THR 52 Ca 0.22 0.31 0.05 0.00 -1.21 0.00 0.00 61.69 61.05 2jqa s THR 52 Cb -0.09 -3.19 -0.00 0.00 -1.51 0.00 0.00 72.50 67.70 2jqa s THR 52 CO -0.09 0.07 -0.19 0.20 -2.21 0.00 0.00 174.62 172.40 2jqa s ASN 53 N -0.27 2.42 -0.29 8.08 0.02 -1.26 -4.65 114.94 118.98 2jqa s ASN 53 Ca 0.51 -0.40 0.20 0.00 -1.02 0.00 0.00 52.86 52.15 2jqa s ASN 53 Cb -0.44 -0.70 0.48 0.00 0.02 0.00 0.00 41.25 40.61 2jqa s ASN 53 CO 0.59 0.17 1.09 1.17 0.02 0.00 0.00 177.10 180.14 2jqa n LYS 54 N 3.13 1.45 0.00 -0.60 4.81 -1.26 -4.97 118.16 120.72 2jqa n LYS 54 Ca -0.18 -3.19 0.00 0.00 -0.87 0.00 0.00 58.31 54.07 2jqa n LYS 54 Cb 0.53 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.31 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 -0.45 0.00 -3.39 3.14 7.64 -1.26 -5.09 113.62 114.21 2jqa n SER 55 Ca 0.06 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.73 2jqa n SER 55 Cb 0.81 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.92 2jqa n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqa s ASP 56 N -4.00 1.73 -0.35 6.43 2.15 -1.26 -4.80 116.67 116.57 2jqa s ASP 56 Ca 0.00 -1.65 0.01 0.00 0.43 0.00 0.00 52.55 51.34 2jqa s ASP 56 Cb 0.00 0.29 0.14 0.00 -0.30 0.00 0.00 42.92 43.05 2jqa s ASP 56 CO 0.00 -0.29 0.30 -1.10 -0.17 0.00 0.00 175.17 173.91 2jqa s GLN 57 N 1.44 0.53 -0.39 4.34 -0.21 -1.26 -5.05 119.66 119.06 2jqa s GLN 57 Ca 0.16 -0.88 -0.28 0.00 0.02 0.00 0.00 55.36 54.38 2jqa s GLN 57 Cb -0.17 -0.92 0.02 0.00 1.00 0.00 0.00 33.01 32.94 2jqa s GLN 57 CO -0.06 -1.16 1.06 -1.25 -2.12 0.00 0.00 175.29 171.75 2jqa s PRO 58 N 1.50 3.87 0.02 2.91 0.04 -1.26 -4.84 135.00 137.24 2jqa s PRO 58 Ca 0.16 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 2jqa s PRO 58 Cb -0.18 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2jqa s PRO 58 CO -0.09 -1.09 0.15 0.42 0.04 0.00 0.00 177.00 176.43 2jqa s ILE 59 N 3.89 5.10 -0.47 0.56 1.01 -1.26 -4.97 121.20 125.05 2jqa s ILE 59 Ca 0.44 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.79 2jqa s ILE 59 Cb -0.10 -3.40 0.25 0.00 0.01 0.00 0.00 42.46 39.21 2jqa s ILE 59 CO 0.22 0.26 0.84 2.29 0.00 0.00 0.00 174.94 178.56 2jqa n LYS 60 N 0.79 0.78 -3.48 2.79 2.85 -1.21 -1.44 118.16 119.25 2jqa n LYS 60 Ca -0.10 -1.97 -0.21 0.00 -1.05 0.00 0.00 58.31 54.97 2jqa n LYS 60 Cb 0.52 -1.41 -0.00 0.00 -0.65 0.00 0.00 35.03 33.48 2jqa n LYS 60 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jqa s LEU 61 N -0.85 3.21 0.03 -5.58 1.02 0.43 -3.98 118.68 112.96 2jqa s LEU 61 Ca 0.32 -0.84 -0.10 0.00 0.02 0.00 0.00 54.13 53.53 2jqa s LEU 61 Cb 0.22 -1.85 -0.32 0.00 0.02 0.00 0.00 46.19 44.26 2jqa s LEU 61 CO -0.22 -0.89 0.98 0.58 0.02 0.00 0.00 176.35 176.82 2jqa h VAL 62 N 0.77 1.29 0.00 -1.59 2.07 -0.88 -3.10 116.25 114.81 2jqa h VAL 62 Ca -0.38 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 64.34 2jqa h VAL 62 Cb 1.28 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 2jqa h VAL 62 CO 0.53 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.57 2jqa n GLY 63 N 1.67 -0.20 2.54 2.17 0.00 -1.24 -3.67 105.19 106.46 2jqa n GLY 63 Ca -0.15 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 0.88 0.45 4.61 0.00 -1.26 -3.90 121.76 121.53 2jqa s ALA 64 Ca 0.00 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.56 2jqa s ALA 64 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2jqa s ALA 64 CO 0.00 -1.82 0.34 0.00 0.00 0.00 0.00 175.76 174.28 2jqa s ALA 65 N 1.64 4.05 -0.30 0.00 0.00 0.16 -4.93 121.76 122.37 2jqa s ALA 65 Ca 0.12 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 2jqa s ALA 65 Cb -0.19 -0.77 0.16 0.00 0.00 0.00 0.00 23.12 22.31 2jqa s ALA 65 CO -0.22 -0.28 0.80 -0.08 0.00 0.00 0.00 175.76 175.98 2jqa s THR 66 N -2.59 -0.77 -0.96 0.00 -1.32 -1.26 -0.64 115.64 108.11 2jqa s THR 66 Ca 0.43 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.16 2jqa s THR 66 Cb -0.01 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.20 2jqa s THR 66 CO 0.25 0.00 1.82 -0.81 -2.21 0.00 0.00 174.62 173.66 2jqa n PRO 67 N 5.28 0.03 0.00 7.08 -0.04 -1.26 -3.99 135.00 142.10 2jqa n PRO 67 Ca -0.09 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2jqa n PRO 67 Cb 0.51 -1.54 0.22 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.60 0.00 -3.86 1.53 4.32 -1.26 -3.86 117.00 112.27 2jqa n LEU 68 Ca 0.06 0.20 -0.23 0.00 -0.02 0.00 0.00 56.01 56.02 2jqa n LEU 68 Cb 0.31 -0.20 -0.17 0.00 -1.62 0.00 0.00 43.42 41.74 2jqa n LEU 68 CO 0.24 -0.15 -0.41 0.00 -1.22 0.00 0.00 177.39 175.86 2jqa s ALA 69 N -2.40 0.88 0.22 -1.18 0.00 -1.26 -1.17 121.76 116.85 2jqa s ALA 69 Ca 0.09 -0.22 0.18 0.00 0.00 0.00 0.00 51.96 52.01 2jqa s ALA 69 Cb 0.06 -0.66 0.69 0.00 0.00 0.00 0.00 23.12 23.20 2jqa s ALA 69 CO 0.12 -0.26 1.75 0.00 0.00 0.00 0.00 175.76 177.37 2jqa h THR 70 N 6.20 0.97 -3.45 0.00 1.03 -1.47 -3.20 112.91 112.99 2jqa h THR 70 Ca -0.29 -1.51 -0.71 0.00 -0.01 0.00 0.00 66.41 63.89 2jqa h THR 70 Cb 1.14 1.90 -0.35 0.00 -1.07 0.00 0.00 68.15 69.77 2jqa h THR 70 CO 0.38 0.38 -0.19 -0.55 -0.01 0.00 0.00 175.52 175.53 2jqa s SER 71 N -6.52 5.73 -0.13 0.00 0.15 -0.67 -4.98 113.70 107.27 2jqa s SER 71 Ca -0.01 -3.30 -0.29 0.00 0.70 0.00 0.00 55.95 53.05 2jqa s SER 71 Cb 0.12 -1.91 -0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2jqa s SER 71 CO 0.69 -0.28 1.20 -2.16 1.20 0.00 0.00 173.24 173.89 2jqa s PRO 72 N -0.73 4.29 -0.16 5.44 0.04 -1.21 -2.20 135.00 140.47 2jqa s PRO 72 Ca 0.22 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 2jqa s PRO 72 Cb -0.13 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2jqa s PRO 72 CO -0.08 -0.59 0.02 1.41 0.04 0.00 0.00 177.00 177.80 2jqa s MET 73 N 2.96 3.75 -0.18 4.56 1.75 -0.31 -5.00 119.30 126.84 2jqa s MET 73 Ca 0.54 -0.40 -0.04 0.00 -1.25 0.00 0.00 55.69 54.53 2jqa s MET 73 Cb -0.22 -3.06 0.06 0.00 2.84 0.00 0.00 34.83 34.45 2jqa s MET 73 CO 0.16 0.33 0.06 -0.51 -0.65 0.00 0.00 175.02 174.41 2jqa s LEU 74 N 0.18 0.75 -0.29 4.11 1.02 -1.26 -0.56 118.68 122.63 2jqa s LEU 74 Ca 0.02 -0.68 -0.01 0.00 0.02 0.00 0.00 54.13 53.48 2jqa s LEU 74 Cb -0.13 -0.42 0.09 0.00 0.02 0.00 0.00 46.19 45.76 2jqa s LEU 74 CO 0.01 -0.32 0.08 0.00 0.02 0.00 0.00 176.35 176.14 2jqa s MET 75 N 2.00 0.76 0.24 1.70 0.23 -0.25 -0.73 119.30 123.25 2jqa s MET 75 Ca 0.01 -0.97 0.11 0.00 -1.03 0.00 0.00 55.69 53.80 2jqa s MET 75 Cb -0.16 -2.05 -0.05 0.00 -1.53 0.00 0.00 34.83 31.04 2jqa s MET 75 CO -0.08 -0.91 -0.14 -0.08 -2.03 0.00 0.00 175.02 171.78 2jqa s THR 76 N 1.64 2.84 -0.29 3.16 -1.32 -1.26 -0.81 115.64 119.59 2jqa s THR 76 Ca 0.07 -2.08 -0.15 0.00 -1.21 0.00 0.00 61.69 58.33 2jqa s THR 76 Cb -0.17 -2.46 0.14 0.00 -1.51 0.00 0.00 72.50 68.50 2jqa s THR 76 CO -0.21 -0.29 0.89 -0.89 -2.21 0.00 0.00 174.62 171.91 2jqa s THR 77 N -2.16 -0.32 0.17 5.08 2.01 -1.26 -1.65 115.64 117.50 2jqa s THR 77 Ca 0.28 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.03 2jqa s THR 77 Cb -0.07 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.50 2jqa s THR 77 CO 0.15 0.00 0.94 0.28 -0.69 0.00 0.00 174.62 175.31 2jqa s THR 78 N 1.99 0.00 -0.00 -0.82 -1.32 -1.17 -4.77 115.64 109.55 2jqa s THR 78 Ca -0.07 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 2jqa s THR 78 Cb -0.06 -2.02 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 2jqa s THR 78 CO -0.17 0.00 0.70 0.00 -2.21 0.00 0.00 174.62 172.94 2jqa n HIS 79 N -0.48 -0.02 0.73 9.09 1.44 -1.26 -2.59 115.22 122.13 2jqa n HIS 79 Ca -0.06 -0.36 0.08 0.00 -2.01 0.00 0.00 57.72 55.37 2jqa n HIS 79 Cb 0.61 0.43 -0.06 0.00 0.12 0.00 0.00 29.99 31.09 2jqa n HIS 79 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2jqa n SER 80 N -0.01 0.98 -1.65 4.39 7.64 -1.26 -4.91 113.62 118.79 2jqa n SER 80 Ca -0.19 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2jqa n SER 80 Cb 0.57 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 64.62 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 1.31 1.90 1.90 0.23 0.00 -1.26 -5.00 105.19 104.27 2jqa n GLY 81 Ca 0.04 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 5.00 3.48 2.70 -0.02 0.00 -1.26 -4.48 105.19 110.61 2jqa n GLY 82 Ca 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 45.02 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 1.17 0.89 -2.22 1.61 0.00 -1.26 -5.06 117.12 112.25 2jqa n MET 83 Ca 0.27 -1.55 -0.31 0.00 -0.00 0.00 0.00 57.70 56.11 2jqa n MET 83 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 33.22 33.58 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 0.17 3.13 -0.02 -5.12 0.00 -1.26 -4.61 121.76 114.04 2jqa s ALA 84 Ca 0.18 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 2jqa s ALA 84 Cb 0.31 -3.02 0.11 0.00 0.00 0.00 0.00 23.12 20.51 2jqa s ALA 84 CO -0.08 -0.42 1.15 0.20 0.00 0.00 0.00 175.76 176.61 2jqa s GLY 85 N -3.64 -0.35 0.22 0.00 0.00 -1.07 -5.00 107.32 97.48 2jqa s GLY 85 Ca 0.56 0.85 0.08 0.00 0.00 0.00 0.00 44.72 46.20 2jqa s GLY 85 CO 0.42 0.23 0.06 -0.29 0.00 0.00 0.00 173.10 173.52 2jqa s MET 86 N -2.69 2.55 0.42 2.90 -2.45 -1.26 -3.02 119.30 115.75 2jqa s MET 86 Ca 0.11 -1.16 -0.23 0.00 -1.25 0.00 0.00 55.69 53.16 2jqa s MET 86 Cb 0.01 -2.38 -0.11 0.00 1.25 0.00 0.00 34.83 33.60 2jqa s MET 86 CO -0.03 0.42 0.81 0.36 1.05 0.00 0.00 175.02 177.63 2jqa n LYS 87 N -0.64 0.98 0.00 4.11 2.85 -0.66 -4.73 118.16 120.07 2jqa n LYS 87 Ca -0.08 0.36 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 2jqa n LYS 87 Cb 0.57 -1.81 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 2jqa n LYS 87 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2jqa n MET 88 N 0.29 0.00 0.00 -1.58 1.56 -1.09 -4.96 117.12 111.35 2jqa n MET 88 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 2jqa n MET 88 Cb 0.39 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.76 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 -0.20 -3.26 1.12 0.31 0.09 -5.01 118.33 111.38 2jqa n VAL 89 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2jqa n VAL 89 Cb 0.00 -0.14 -0.08 0.00 -0.91 0.00 0.00 33.84 32.71 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 -4.92 3.48 0.40 5.55 0.04 -1.26 -4.69 135.00 133.60 2jqa s PRO 90 Ca 0.00 -0.33 -0.23 0.00 0.04 0.00 0.00 61.00 60.48 2jqa s PRO 90 Cb 0.00 -3.85 -0.12 0.00 0.04 0.00 0.00 34.50 30.56 2jqa s PRO 90 CO 0.00 -0.71 0.67 -2.67 0.04 0.00 0.00 177.00 174.33 2jqa n TRP 91 N 5.74 -0.03 -2.80 0.56 2.14 -1.26 -3.69 117.44 118.10 2jqa n TRP 91 Ca -0.05 0.62 -0.22 0.00 2.07 0.00 0.00 57.50 59.92 2jqa n TRP 91 Cb 0.49 -2.06 -0.01 0.00 -0.81 0.00 0.00 31.31 28.92 2jqa n TRP 91 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 2jqa n LEU 92 N 1.14 3.24 -4.09 5.67 0.00 -1.17 -4.77 117.00 117.01 2jqa n LEU 92 Ca 0.11 -5.03 -0.29 0.00 0.00 0.00 0.00 56.01 50.80 2jqa n LEU 92 Cb 0.38 -0.08 -0.17 0.00 0.00 0.00 0.00 43.42 43.55 2jqa n LEU 92 CO 0.55 2.16 -0.51 -0.89 0.00 0.00 0.00 177.39 178.71 2jqa s THR 93 N -4.12 1.58 -0.18 1.96 2.01 -1.26 -0.43 115.64 115.20 2jqa s THR 93 Ca 0.43 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2jqa s THR 93 Cb 0.36 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.47 2jqa s THR 93 CO -0.11 0.46 -0.19 0.27 -0.69 0.00 0.00 174.62 174.36 2jqa s ILE 94 N 0.81 2.01 0.25 1.82 -4.36 -0.52 -4.87 121.20 116.34 2jqa s ILE 94 Ca -0.10 -0.94 -0.30 0.00 -0.26 0.00 0.00 60.65 59.06 2jqa s ILE 94 Cb -0.16 -1.83 -0.10 0.00 1.25 0.00 0.00 42.46 41.62 2jqa s ILE 94 CO 0.01 0.50 1.44 -2.16 0.24 0.00 0.00 174.94 174.98 2jqa s PRO 95 N 1.31 4.26 0.00 0.37 0.04 -1.26 -4.25 135.00 135.47 2jqa s PRO 95 Ca 0.04 2.32 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 2jqa s PRO 95 Cb -0.13 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 2jqa s PRO 95 CO -0.12 -0.43 1.94 0.00 0.04 0.00 0.00 177.00 178.43 2jqa n ALA 96 N 2.26 3.89 0.00 8.56 0.00 -1.26 -1.20 120.51 132.75 2jqa n ALA 96 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2jqa n ALA 96 Cb 0.40 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 2.04 0.00 -0.03 0.00 0.63 -1.26 -4.17 116.66 113.87 2jqa n ARG 97 Ca 0.12 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.07 2jqa n ARG 97 Cb 0.47 0.00 0.35 0.00 0.45 0.00 0.00 32.46 33.73 2jqa n ARG 97 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2jqa h GLY 98 N 0.00 0.64 -3.36 5.14 0.00 -1.54 -3.47 103.07 100.48 2jqa h GLY 98 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2jqa h GLY 98 CO 0.00 0.28 -0.36 2.41 0.00 0.00 0.00 176.54 178.87 2jqa n THR 99 N -4.39 -5.25 -1.80 4.70 -1.04 -1.26 -4.85 114.28 100.39 2jqa n THR 99 Ca 0.03 0.66 -0.41 0.00 -2.04 0.00 0.00 64.05 62.29 2jqa n THR 99 Cb 0.13 -4.16 -0.01 0.00 -1.82 0.00 0.00 70.33 64.47 2jqa n THR 99 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jqa s LEU 100 N -0.15 4.33 0.17 -4.42 0.20 -1.12 -4.92 118.68 112.77 2jqa s LEU 100 Ca -0.06 3.01 0.09 0.00 0.69 0.00 0.00 54.13 57.86 2jqa s LEU 100 Cb 0.00 -3.66 -0.04 0.00 -0.43 0.00 0.00 46.19 42.07 2jqa s LEU 100 CO 0.16 -0.88 -0.20 -0.89 -0.29 0.00 0.00 176.35 174.25 2jqa s THR 101 N -0.71 1.98 -0.47 3.68 2.01 -1.26 -1.22 115.64 119.65 2jqa s THR 101 Ca 0.57 -1.94 0.06 0.00 0.31 0.00 0.00 61.69 60.69 2jqa s THR 101 Cb -0.47 -1.92 0.23 0.00 0.01 0.00 0.00 72.50 70.35 2jqa s THR 101 CO 0.57 -0.25 0.74 -0.11 -0.69 0.00 0.00 174.62 174.89 2jqa n LEU 102 N 0.31 -2.25 -4.12 4.42 7.94 -0.13 -4.93 117.00 118.24 2jqa n LEU 102 Ca -0.13 -3.57 -0.10 0.00 -1.11 0.00 0.00 56.01 51.09 2jqa n LEU 102 Cb 0.57 0.76 -0.09 0.00 0.53 0.00 0.00 43.42 45.19 2jqa n LEU 102 CO 0.29 1.99 -0.18 -1.10 -1.11 0.00 0.00 177.39 177.27 2jqa s GLN 103 N 0.33 1.11 0.30 1.96 -0.21 0.75 -1.62 119.66 122.27 2jqa s GLN 103 Ca 0.32 -1.43 0.16 0.00 0.02 0.00 0.00 55.36 54.43 2jqa s GLN 103 Cb 0.15 0.30 0.90 0.00 1.00 0.00 0.00 33.01 35.36 2jqa s GLN 103 CO -0.18 -0.37 1.46 0.54 -2.12 0.00 0.00 175.29 174.63 2jqa n ARG 104 N -0.20 0.11 -0.09 2.91 1.74 -1.26 -0.29 116.66 119.58 2jqa n ARG 104 Ca -0.03 0.59 0.25 0.00 -0.77 0.00 0.00 57.85 57.89 2jqa n ARG 104 Cb 0.64 -1.98 0.58 0.00 -1.02 0.00 0.00 32.46 30.68 2jqa n ARG 104 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2jqa h ASP 105 N 0.00 0.00 0.00 0.55 5.19 -2.03 -3.41 116.42 116.72 2jqa h ASP 105 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jqa h ASP 105 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2jqa h ASP 105 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2jqa n GLY 106 N -1.62 0.00 3.63 2.75 0.00 0.07 -5.17 105.19 104.86 2jqa n GLY 106 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2jqa n GLY 106 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jqa s ASP 107 N 0.00 -0.70 0.03 1.61 1.47 0.60 -4.30 116.67 115.38 2jqa s ASP 107 Ca 0.00 1.34 -0.27 0.00 1.18 0.00 0.00 52.55 54.79 2jqa s ASP 107 Cb 0.00 1.35 0.09 0.00 -0.34 0.00 0.00 42.92 44.02 2jqa s ASP 107 CO 0.00 -0.24 0.78 -1.38 0.68 0.00 0.00 175.17 175.01 2jqa s HIS 108 N 0.32 -0.44 0.02 2.11 -3.43 0.01 -0.18 115.29 113.69 2jqa s HIS 108 Ca 0.00 0.36 0.04 0.00 -0.80 0.00 0.00 55.06 54.67 2jqa s HIS 108 Cb -0.05 0.53 -0.02 0.00 -1.43 0.00 0.00 32.58 31.61 2jqa s HIS 108 CO -0.00 -0.64 -0.14 0.14 -2.00 0.00 0.00 174.74 172.11 2jqa s VAL 109 N -3.01 1.07 -0.15 -5.38 -7.23 -1.18 -1.09 120.40 103.43 2jqa s VAL 109 Ca 0.02 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2jqa s VAL 109 Cb -0.01 -0.94 0.04 0.00 0.56 0.00 0.00 36.38 36.03 2jqa s VAL 109 CO -0.08 0.14 -0.03 -0.32 -0.31 0.00 0.00 175.10 174.50 2jqa s MET 110 N -0.76 1.16 -0.77 4.82 1.75 0.27 -1.50 119.30 124.27 2jqa s MET 110 Ca 0.03 -0.37 -0.12 0.00 -1.25 0.00 0.00 55.69 53.98 2jqa s MET 110 Cb -0.07 -1.81 0.20 0.00 2.84 0.00 0.00 34.83 35.99 2jqa s MET 110 CO 0.00 -0.44 0.69 -0.51 -0.65 0.00 0.00 175.02 174.12 2jqa s LEU 111 N 1.74 6.42 -0.07 4.11 1.02 0.33 -1.16 118.68 131.06 2jqa s LEU 111 Ca 0.01 -2.70 -0.18 0.00 0.02 0.00 0.00 54.13 51.29 2jqa s LEU 111 Cb -0.15 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.88 2jqa s LEU 111 CO -0.07 -0.54 0.47 -0.32 0.02 0.00 0.00 176.35 175.91 2jqa s MET 112 N 0.16 4.24 0.00 1.70 1.75 -0.94 -2.21 119.30 124.00 2jqa s MET 112 Ca 0.17 0.47 0.00 0.00 -1.25 0.00 0.00 55.69 55.08 2jqa s MET 112 Cb -0.13 -3.37 0.00 0.00 2.84 0.00 0.00 34.83 34.17 2jqa s MET 112 CO -0.07 0.32 0.00 0.41 -0.65 0.00 0.00 175.02 175.02 2jqa n GLY 113 N 2.82 1.85 0.71 2.11 0.00 -0.91 -1.68 105.19 110.09 2jqa n GLY 113 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jqa n GLY 113 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jqa n LEU 114 N 0.00 0.00 0.00 0.99 -0.00 0.38 -4.77 117.00 113.61 2jqa n LEU 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2jqa n LEU 114 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 2jqa n LEU 114 CO 0.00 -0.18 0.00 0.29 -0.00 0.00 0.00 177.39 177.50 2jqa n LYS 115 N -1.53 0.00 -0.53 1.47 4.76 -0.32 -4.37 118.16 117.64 2jqa n LYS 115 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2jqa n LYS 115 Cb 0.00 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2jqa n LYS 115 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2jqa n ARG 116 N 0.00 -1.48 -2.17 1.97 1.85 -1.26 -4.97 116.66 110.59 2jqa n ARG 116 Ca 0.00 1.11 -0.40 0.00 -1.00 0.00 0.00 57.85 57.57 2jqa n ARG 116 Cb 0.00 -1.29 -0.02 0.00 -1.05 0.00 0.00 32.46 30.10 2jqa n ARG 116 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2jqa s PRO 117 N -5.02 4.22 -0.11 2.89 0.04 -1.25 -4.94 135.00 130.81 2jqa s PRO 117 Ca 0.00 2.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 2jqa s PRO 117 Cb 0.00 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.66 2jqa s PRO 117 CO 0.00 -0.26 0.35 -0.48 0.04 0.00 0.00 177.00 176.66 2jqa s LEU 118 N -2.08 0.66 0.44 -3.56 0.05 -1.03 -4.94 118.68 108.22 2jqa s LEU 118 Ca 0.52 0.60 -0.08 0.00 0.05 0.00 0.00 54.13 55.22 2jqa s LEU 118 Cb -0.37 1.26 -0.05 0.00 -2.05 0.00 0.00 46.19 44.98 2jqa s LEU 118 CO 0.48 -0.19 0.77 -1.59 -0.55 0.00 0.00 176.35 175.26 2jqa s LYS 119 N -0.13 3.65 0.00 1.48 0.00 -1.26 -0.56 119.74 122.92 2jqa s LYS 119 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 55.97 56.26 2jqa s LYS 119 Cb -0.03 -2.39 0.00 0.00 0.00 0.00 0.00 37.83 35.41 2jqa s LYS 119 CO 0.01 -0.11 0.00 1.33 0.00 0.00 0.00 175.35 176.58 2jqa n VAL 120 N -1.77 0.00 -0.98 1.79 0.24 -0.09 -2.09 118.33 115.43 2jqa n VAL 120 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2jqa n VAL 120 Cb 0.54 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 2jqa n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jqa n GLY 121 N -0.16 -2.71 3.88 7.63 0.00 -1.23 -4.03 105.19 108.56 2jqa n GLY 121 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.02 3.72 -0.04 1.61 2.12 -0.89 -4.82 118.70 120.38 2jqa s GLU 122 Ca 0.00 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.75 2jqa s GLU 122 Cb 0.00 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 2jqa s GLU 122 CO 0.00 -0.06 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.47 2jqa s THR 123 N -2.44 3.38 -0.02 -1.70 -1.32 -1.26 -0.27 115.64 112.01 2jqa s THR 123 Ca 0.50 -0.66 -0.05 0.00 -1.21 0.00 0.00 61.69 60.27 2jqa s THR 123 Cb -0.10 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 2jqa s THR 123 CO 0.34 0.55 0.11 -0.69 -2.21 0.00 0.00 174.62 172.73 2jqa s VAL 124 N -0.81 0.05 0.15 5.08 1.01 0.56 -5.00 120.40 121.44 2jqa s VAL 124 Ca 0.13 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2jqa s VAL 124 Cb -0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 2jqa s VAL 124 CO 0.02 -0.23 1.03 0.20 0.00 0.00 0.00 175.10 176.12 2jqa s ASN 125 N -0.76 7.39 -0.05 3.32 -0.87 -1.26 -1.69 114.94 121.02 2jqa s ASN 125 Ca -0.08 1.94 -0.05 0.00 -1.57 0.00 0.00 52.86 53.10 2jqa s ASN 125 Cb -0.05 -2.60 0.01 0.00 -0.02 0.00 0.00 41.25 38.60 2jqa s ASN 125 CO 0.01 -0.14 0.14 -0.51 -2.57 0.00 0.00 177.10 174.03 2jqa s ILE 126 N -0.14 0.01 -0.95 0.60 -1.16 -1.25 -4.86 121.20 113.44 2jqa s ILE 126 Ca 0.48 -0.05 -0.13 0.00 -0.51 0.00 0.00 60.65 60.45 2jqa s ILE 126 Cb -0.26 -0.21 0.23 0.00 0.61 0.00 0.00 42.46 42.82 2jqa s ILE 126 CO 0.32 -0.02 0.94 0.42 -2.81 0.00 0.00 174.94 173.79 2jqa s THR 127 N -0.02 5.65 0.48 4.00 -4.23 0.19 -0.11 115.64 121.60 2jqa s THR 127 Ca -0.01 -2.73 -0.04 0.00 -1.18 0.00 0.00 61.69 57.73 2jqa s THR 127 Cb -0.01 -4.56 -0.03 0.00 1.34 0.00 0.00 72.50 69.24 2jqa s THR 127 CO 0.00 -1.15 0.76 -1.48 -0.54 0.00 0.00 174.62 172.22 2jqa s LEU 128 N -0.05 3.62 -0.09 4.79 2.34 -0.48 -0.67 118.68 128.15 2jqa s LEU 128 Ca 0.24 0.79 -0.05 0.00 0.06 0.00 0.00 54.13 55.18 2jqa s LEU 128 Cb -0.09 -3.72 0.04 0.00 -0.56 0.00 0.00 46.19 41.86 2jqa s LEU 128 CO -0.08 -0.62 0.20 -0.54 -1.06 0.00 0.00 176.35 174.26 2jqa s LYS 129 N -4.71 0.17 0.22 1.48 1.02 -1.25 -0.42 119.74 116.25 2jqa s LYS 129 Ca 0.47 0.43 -0.08 0.00 0.02 0.00 0.00 55.97 56.81 2jqa s LYS 129 Cb -0.10 -0.09 -0.07 0.00 -0.52 0.00 0.00 37.83 37.05 2jqa s LYS 129 CO 0.43 -0.14 0.51 0.00 -0.92 0.00 0.00 175.35 175.24 2jqa s ALA 130 N 0.99 3.62 -0.10 5.17 0.00 0.39 -0.26 121.76 131.58 2jqa s ALA 130 Ca -0.07 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 2jqa s ALA 130 Cb -0.09 -2.35 -0.15 0.00 0.00 0.00 0.00 23.12 20.53 2jqa s ALA 130 CO -0.06 0.51 0.58 0.00 0.00 0.00 0.00 175.76 176.79 2jqa h THR 131 N 1.93 0.99 0.00 0.00 1.03 -1.87 -3.14 112.91 111.84 2jqa h THR 131 Ca -0.47 -1.58 0.00 0.00 -0.01 0.00 0.00 66.41 64.35 2jqa h THR 131 Cb 1.17 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 70.06 2jqa h THR 131 CO 0.69 0.31 -0.56 0.44 -0.01 0.00 0.00 175.52 176.39 2jqa h ASP 132 N -0.95 0.00 0.00 0.00 5.19 -1.98 -3.44 116.42 115.24 2jqa h ASP 132 Ca -0.01 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2jqa h ASP 132 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2jqa h ASP 132 CO 0.01 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.78 2jqa n GLY 133 N 1.25 1.70 3.62 2.75 0.00 -1.25 -5.12 105.19 108.13 2jqa n GLY 133 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2jqa n GLY 133 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jqa s ARG 134 N 0.00 0.21 0.54 1.61 1.70 -1.19 -4.98 118.95 116.85 2jqa s ARG 134 Ca 0.00 -0.04 -0.19 0.00 -0.47 0.00 0.00 55.73 55.03 2jqa s ARG 134 Cb 0.00 0.10 -0.06 0.00 -0.57 0.00 0.00 34.95 34.42 2jqa s ARG 134 CO 0.00 -0.09 1.09 0.99 -1.08 0.00 0.00 175.30 176.22 2jqa s THR 135 N -1.89 3.42 -0.16 4.99 2.01 -1.26 -0.46 115.64 122.29 2jqa s THR 135 Ca 0.09 0.84 -0.06 0.00 0.31 0.00 0.00 61.69 62.86 2jqa s THR 135 Cb -0.01 -3.33 0.08 0.00 0.01 0.00 0.00 72.50 69.25 2jqa s THR 135 CO -0.05 -0.24 0.35 -0.22 -0.69 0.00 0.00 174.62 173.78 2jqa s LEU 136 N -3.88 -0.41 -0.61 4.42 2.96 0.44 -4.94 118.68 116.66 2jqa s LEU 136 Ca 0.70 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 2jqa s LEU 136 Cb -0.21 1.07 0.43 0.00 0.50 0.00 0.00 46.19 47.99 2jqa s LEU 136 CO 0.27 -0.23 1.81 -0.46 -1.32 0.00 0.00 176.35 176.42 2jqa n ASN 137 N 5.21 6.94 -3.50 3.68 6.94 -1.25 -1.38 115.26 131.90 2jqa n ASN 137 Ca -0.10 -3.79 -0.11 0.00 -0.02 0.00 0.00 54.58 50.56 2jqa n ASN 137 Cb 0.50 -0.83 -0.03 0.00 -2.36 0.00 0.00 39.78 37.06 2jqa n ASN 137 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jqa s VAL 138 N -4.87 0.00 0.00 3.53 0.11 0.84 -3.88 120.40 116.13 2jqa s VAL 138 Ca 0.59 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 2jqa s VAL 138 Cb 0.47 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2jqa s VAL 138 CO -0.08 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.69 2jqa n ALA 139 N 0.10 0.00 -2.46 1.54 0.00 -1.24 -4.47 120.51 113.99 2jqa n ALA 139 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 2jqa n ALA 139 Cb 0.61 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 2jqa n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jqa s ALA 140 N -0.64 1.97 0.10 0.00 0.00 -0.68 -4.34 121.76 118.18 2jqa s ALA 140 Ca 0.00 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.80 2jqa s ALA 140 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2jqa s ALA 140 CO 0.00 0.43 -0.19 0.99 0.00 0.00 0.00 175.76 177.00 2jqa s THR 141 N -0.97 1.57 0.07 0.00 2.01 -0.58 -0.32 115.64 117.42 2jqa s THR 141 Ca 0.09 -1.54 -0.09 0.00 0.31 0.00 0.00 61.69 60.47 2jqa s THR 141 Cb -0.10 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 2jqa s THR 141 CO 0.03 -0.14 0.38 -0.69 -0.69 0.00 0.00 174.62 173.51 2jqa s VAL 142 N -1.32 5.13 0.00 3.82 1.01 0.63 -0.50 120.40 129.17 2jqa s VAL 142 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2jqa s VAL 142 Cb -0.09 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2jqa s VAL 142 CO 0.04 0.28 0.00 1.17 0.00 0.00 0.00 175.10 176.59 2jqa n LYS 143 N 0.87 0.00 0.00 2.72 4.81 -0.51 -3.54 118.16 122.51 2jqa n LYS 143 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2jqa n LYS 143 Cb 0.52 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2jqa n LYS 143 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jqa n LYS 144 N 0.00 0.00 0.00 1.64 4.76 -1.13 -4.90 118.16 118.53 2jqa n LYS 144 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2jqa n LYS 144 Cb 0.03 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.22 2jqa n LYS 144 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2jqa n ASN 145 N -3.63 0.00 0.00 4.39 6.94 -1.26 -4.93 115.26 116.76 2jqa n ASN 145 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2jqa n ASN 145 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2jqa n ASN 145 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2jqa n ILE 146 N 0.00 0.00 0.00 1.53 5.41 -1.26 -5.12 119.36 119.92 2jqa n ILE 146 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2jqa n ILE 146 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2jqa n ILE 146 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2jqa n GLU 147 N -0.53 0.00 0.00 0.38 4.71 -1.26 -5.17 120.64 118.77 2jqa n GLU 147 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2jqa n GLU 147 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2jqa n GLU 147 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jqa n GLY 148 N 4.71 4.21 0.00 0.62 0.00 -1.26 -5.08 105.19 108.38 2jqa n GLY 148 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2jqa n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86