#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxw s PRO 2 N 0.00 2.89 -0.25 -0.24 0.04 -1.26 -5.06 135.00 131.12 2jxw s PRO 2 Ca 0.00 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2jxw s PRO 2 Cb 0.00 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.69 2jxw s PRO 2 CO 0.00 -1.16 0.26 0.45 0.04 0.00 0.00 177.00 176.58 2jxw s SER 3 N -2.81 1.63 -0.13 6.66 0.15 -1.26 -4.99 113.70 112.95 2jxw s SER 3 Ca 0.65 -0.52 0.21 0.00 0.70 0.00 0.00 55.95 56.98 2jxw s SER 3 Cb -0.18 0.42 0.45 0.00 -1.71 0.00 0.00 66.02 64.99 2jxw s SER 3 CO 0.43 -0.36 1.17 0.29 1.20 0.00 0.00 173.24 175.96 2jxw n LYS 4 N 5.31 1.04 -0.24 5.44 5.02 -1.26 -5.02 118.16 128.45 2jxw n LYS 4 Ca -0.04 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.45 2jxw n LYS 4 Cb 0.47 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 2jxw n LYS 4 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jxw n GLY 5 N -0.18 0.27 3.22 0.72 0.00 -1.26 -4.89 105.19 103.07 2jxw n GLY 5 Ca 0.12 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2jxw n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxw n ARG 6 N -0.07 2.95 -5.20 1.61 3.00 -1.26 -4.86 116.66 112.83 2jxw n ARG 6 Ca 0.00 -2.93 -0.30 0.00 -0.01 0.00 0.00 57.85 54.61 2jxw n ARG 6 Cb 0.00 -3.41 -0.16 0.00 0.00 0.00 0.00 32.46 28.89 2jxw n ARG 6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2jxw s TRP 7 N 4.09 2.24 -0.09 -1.55 0.52 -1.26 -3.55 118.94 119.34 2jxw s TRP 7 Ca 0.52 -0.56 0.02 0.00 0.02 0.00 0.00 56.10 56.10 2jxw s TRP 7 Cb 0.08 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.92 2jxw s TRP 7 CO 0.01 -0.13 -0.16 0.54 0.02 0.00 0.00 176.95 177.23 2jxw s VAL 8 N -0.32 2.81 -0.07 4.03 0.11 -0.94 -4.94 120.40 121.08 2jxw s VAL 8 Ca 0.02 -0.78 -0.19 0.00 -2.93 0.00 0.00 61.98 58.10 2jxw s VAL 8 Cb -0.12 -2.13 -0.05 0.00 -1.53 0.00 0.00 36.38 32.56 2jxw s VAL 8 CO 0.01 0.56 0.53 -0.70 -3.33 0.00 0.00 175.10 172.17 2jxw s GLU 9 N -0.06 4.31 0.05 1.54 2.12 -1.26 -2.26 118.70 123.13 2jxw s GLU 9 Ca -0.04 0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.90 2jxw s GLU 9 Cb -0.14 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2jxw s GLU 9 CO 0.04 0.24 -0.12 0.20 -0.54 0.00 0.00 175.26 175.08 2jxw s GLY 10 N 0.30 0.73 -0.02 -1.50 0.00 0.62 -5.00 107.32 102.45 2jxw s GLY 10 Ca 0.28 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 2jxw s GLY 10 CO 0.13 -0.85 0.31 -0.42 0.00 0.00 0.00 173.10 172.27 2jxw s ILE 11 N -1.06 5.21 0.25 0.90 -1.09 -1.26 -1.08 121.20 123.07 2jxw s ILE 11 Ca -0.02 0.49 0.08 0.00 -2.23 0.00 0.00 60.65 58.97 2jxw s ILE 11 Cb -0.09 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2jxw s ILE 11 CO 0.01 0.51 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.22 2jxw s THR 12 N -1.16 1.82 0.66 2.92 2.01 -0.03 -4.95 115.64 116.92 2jxw s THR 12 Ca 0.24 -2.20 -0.17 0.00 0.31 0.00 0.00 61.69 59.86 2jxw s THR 12 Cb -0.14 -2.26 -0.09 0.00 0.01 0.00 0.00 72.50 70.01 2jxw s THR 12 CO 0.12 -0.44 0.22 -1.20 -0.69 0.00 0.00 174.62 172.63 2jxw n SER 13 N -0.51 -2.33 0.00 3.53 7.64 -1.26 -2.53 113.62 118.17 2jxw n SER 13 Ca -0.06 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2jxw n SER 13 Cb 0.62 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2jxw n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jxw n GLU 14 N 0.33 0.00 0.00 1.43 1.02 -1.26 -3.79 120.64 118.37 2jxw n GLU 14 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2jxw n GLU 14 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2jxw n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jxw n GLY 15 N 0.00 -0.02 3.44 0.62 0.00 -1.05 -5.17 105.19 103.01 2jxw n GLY 15 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2jxw n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxw s TYR 16 N 0.00 2.59 -0.29 1.61 2.02 -1.18 -4.97 117.35 117.13 2jxw s TYR 16 Ca 0.00 -0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 56.38 2jxw s TYR 16 Cb 0.00 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 2jxw s TYR 16 CO 0.00 0.15 0.11 -1.01 -1.57 0.00 0.00 175.55 173.24 2jxw s HIS 17 N -0.75 3.14 0.12 2.71 3.76 -1.26 -0.85 115.29 122.16 2jxw s HIS 17 Ca 0.12 -0.58 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 2jxw s HIS 17 Cb -0.10 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 2jxw s HIS 17 CO 0.01 -0.44 -0.03 1.52 -0.85 0.00 0.00 174.74 174.95 2jxw s TYR 18 N 1.60 2.86 0.09 1.40 1.13 -0.24 -4.62 117.35 119.57 2jxw s TYR 18 Ca 0.05 -0.10 0.08 0.00 -1.41 0.00 0.00 57.07 55.69 2jxw s TYR 18 Cb -0.16 -1.46 -0.03 0.00 -1.10 0.00 0.00 41.96 39.21 2jxw s TYR 18 CO 0.05 0.47 -0.21 0.71 -2.51 0.00 0.00 175.55 174.06 2jxw s TYR 19 N -1.39 1.81 0.03 -3.49 2.02 0.27 -0.28 117.35 116.33 2jxw s TYR 19 Ca 0.25 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 2jxw s TYR 19 Cb -0.11 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 2jxw s TYR 19 CO 0.17 0.19 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.70 2jxw s TYR 20 N -1.10 1.50 -0.17 2.71 5.04 -0.96 0.72 117.35 125.09 2jxw s TYR 20 Ca 0.07 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 2jxw s TYR 20 Cb -0.10 -0.90 0.01 0.00 0.35 0.00 0.00 41.96 41.32 2jxw s TYR 20 CO 0.04 0.05 -0.16 0.34 -1.34 0.00 0.00 175.55 174.48 2jxw s ASP 21 N -1.06 3.51 0.17 4.32 2.15 -1.03 -2.22 116.67 122.52 2jxw s ASP 21 Ca 0.05 -0.53 0.15 0.00 0.43 0.00 0.00 52.55 52.65 2jxw s ASP 21 Cb -0.08 -1.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.95 2jxw s ASP 21 CO 0.01 0.05 1.17 0.17 -0.17 0.00 0.00 175.17 176.40 2jxw h LEU 22 N 7.58 0.00 -0.38 -1.34 -0.00 -1.90 0.18 115.31 119.45 2jxw h LEU 22 Ca -0.37 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.53 2jxw h LEU 22 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 2jxw h LEU 22 CO 0.59 0.57 0.21 0.40 -0.00 0.00 0.00 178.44 180.21 2jxw h ILE 23 N 0.00 1.02 0.00 0.15 2.04 -1.95 -3.30 117.51 115.47 2jxw h ILE 23 Ca -0.07 -0.15 -0.29 0.00 1.00 0.00 0.00 64.86 65.35 2jxw h ILE 23 Cb 1.50 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2jxw h ILE 23 CO 0.06 0.08 -2.10 -1.20 0.00 0.00 0.00 178.15 174.99 2jxw n SER 24 N -4.90 1.41 -0.48 1.72 7.64 -1.25 -5.05 113.62 112.71 2jxw n SER 24 Ca 0.01 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2jxw n SER 24 Cb 0.07 0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2jxw n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxw n GLY 25 N 2.14 0.70 2.96 0.23 0.00 0.60 -5.10 105.19 106.72 2jxw n GLY 25 Ca -0.28 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 2jxw n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxw s ALA 26 N -2.42 0.82 0.16 4.61 0.00 -1.09 -4.98 121.76 118.88 2jxw s ALA 26 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 2jxw s ALA 26 Cb 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 23.12 22.65 2jxw s ALA 26 CO 0.00 0.07 0.70 -1.54 0.00 0.00 0.00 175.76 174.99 2jxw s SER 27 N 0.56 7.16 0.26 0.00 1.04 -1.26 -2.46 113.70 118.99 2jxw s SER 27 Ca -0.09 1.44 0.03 0.00 0.48 0.00 0.00 55.95 57.81 2jxw s SER 27 Cb -0.12 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 2jxw s SER 27 CO 0.01 0.15 0.03 -1.58 0.98 0.00 0.00 173.24 172.83 2jxw s GLN 28 N -1.50 1.43 0.00 4.02 2.00 0.22 -5.00 119.66 120.84 2jxw s GLN 28 Ca 0.37 -1.76 0.00 0.00 -2.00 0.00 0.00 55.36 51.97 2jxw s GLN 28 Cb -0.19 -0.61 0.00 0.00 0.80 0.00 0.00 33.01 33.01 2jxw s GLN 28 CO 0.22 -0.16 0.66 0.91 -0.50 0.00 0.00 175.29 176.42 2jxw n TRP 29 N -0.50 0.00 -4.89 1.67 7.02 -1.26 -0.56 117.44 118.92 2jxw n TRP 29 Ca -0.03 -0.22 -0.28 0.00 -1.02 0.00 0.00 57.50 55.95 2jxw n TRP 29 Cb 0.65 -0.02 -0.17 0.00 -2.42 0.00 0.00 31.31 29.35 2jxw n TRP 29 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2jxw s GLU 30 N -0.43 2.33 -0.20 -0.99 -6.30 -1.26 -4.80 118.70 107.04 2jxw s GLU 30 Ca 0.00 -0.63 -0.29 0.00 -2.50 0.00 0.00 54.97 51.55 2jxw s GLU 30 Cb 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 34.13 32.27 2jxw s GLU 30 CO 0.00 0.10 1.80 0.21 0.02 0.00 0.00 175.26 177.40 2jxw s LYS 31 N 0.50 3.65 0.70 4.30 2.20 -1.26 -4.91 119.74 124.91 2jxw s LYS 31 Ca -0.16 1.82 -0.12 0.00 -0.36 0.00 0.00 55.97 57.15 2jxw s LYS 31 Cb -0.17 -4.14 0.18 0.00 -1.51 0.00 0.00 37.83 32.19 2jxw s LYS 31 CO 0.06 -1.49 0.52 -2.30 -0.36 0.00 0.00 175.35 171.78 2jxw n PRO 32 N 7.97 -2.75 -0.76 4.03 -0.02 -1.26 -4.92 135.00 137.30 2jxw n PRO 32 Ca 0.22 -0.84 -0.14 0.00 -2.02 0.00 0.00 63.50 60.71 2jxw n PRO 32 Cb 0.45 -0.91 0.12 0.00 -0.02 0.00 0.00 33.50 33.14 2jxw n PRO 32 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2jxw n GLU 33 N -3.58 1.89 0.00 -0.52 0.00 -1.26 -4.24 120.64 112.93 2jxw n GLU 33 Ca 0.08 -1.89 0.00 0.00 0.00 0.00 0.00 57.16 55.35 2jxw n GLU 33 Cb 0.31 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 30.00 2jxw n GLU 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jxw n GLY 34 N -0.47 0.00 0.30 -1.84 0.00 -1.26 -4.76 105.19 97.15 2jxw n GLY 34 Ca 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 2jxw n GLY 34 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jxw h PHE 35 N 0.00 -0.86 -1.46 1.61 3.57 -1.89 -3.41 116.94 114.49 2jxw h PHE 35 Ca 0.00 0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.23 2jxw h PHE 35 Cb 0.36 0.34 -0.24 0.00 2.79 0.00 0.00 35.95 39.20 2jxw h PHE 35 CO 0.00 -0.39 -0.64 -0.65 -2.23 0.00 0.00 178.31 174.40 2jxw s GLN 36 N -4.67 0.97 0.24 1.11 -0.21 -1.26 -5.11 119.66 110.72 2jxw s GLN 36 Ca -0.10 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.01 2jxw s GLN 36 Cb 0.03 -0.48 -0.04 0.00 1.00 0.00 0.00 33.01 33.52 2jxw s GLN 36 CO 0.36 -1.32 0.18 0.20 -2.12 0.00 0.00 175.29 172.59 2jxw s GLY 37 N 0.77 1.69 1.08 3.09 0.00 -1.26 -4.98 107.32 107.70 2jxw s GLY 37 Ca 0.29 -1.79 -0.16 0.00 0.00 0.00 0.00 44.72 43.05 2jxw s GLY 37 CO -0.09 -1.40 1.14 0.99 0.00 0.00 0.00 173.10 173.74 2jxw s ASP 38 N -3.22 2.00 0.83 1.64 1.01 -1.26 -4.95 116.67 112.72 2jxw s ASP 38 Ca 0.39 0.74 -0.12 0.00 0.71 0.00 0.00 52.55 54.27 2jxw s ASP 38 Cb 0.05 -1.09 0.10 0.00 1.01 0.00 0.00 42.92 42.99 2jxw s ASP 38 CO 0.17 -3.46 1.16 -1.48 0.21 0.00 0.00 175.17 171.76 2jxw s LEU 39 N -6.54 3.04 0.60 1.23 0.05 -1.26 -4.99 118.68 110.82 2jxw s LEU 39 Ca 0.69 2.21 -0.13 0.00 0.05 0.00 0.00 54.13 56.95 2jxw s LEU 39 Cb -0.11 -4.57 -0.04 0.00 -2.05 0.00 0.00 46.19 39.42 2jxw s LEU 39 CO 0.55 -2.66 1.03 -0.54 -0.55 0.00 0.00 176.35 174.18 2jxw s LYS 40 N -4.41 3.52 0.23 1.48 1.02 -1.26 -5.08 119.74 115.23 2jxw s LYS 40 Ca 0.69 0.91 -0.22 0.00 0.02 0.00 0.00 55.97 57.36 2jxw s LYS 40 Cb -0.24 -2.07 0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2jxw s LYS 40 CO 0.53 -0.63 0.79 0.21 -0.92 0.00 0.00 175.35 175.33 2jxw s LYS 41 N -4.70 1.56 0.12 1.68 2.20 -1.26 -5.06 119.74 114.29 2jxw s LYS 41 Ca 0.58 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 55.27 2jxw s LYS 41 Cb -0.12 0.54 -0.10 0.00 -1.51 0.00 0.00 37.83 36.65 2jxw s LYS 41 CO 0.46 -0.71 1.31 1.15 -0.36 0.00 0.00 175.35 177.20 2jxw h THR 42 N 2.00 1.35 -2.70 3.43 2.02 -2.07 -3.40 112.91 113.54 2jxw h THR 42 Ca -0.21 -2.26 -0.65 0.00 0.77 0.00 0.00 66.41 64.05 2jxw h THR 42 Cb 1.25 2.27 -0.16 0.00 -1.74 0.00 0.00 68.15 69.77 2jxw h THR 42 CO 0.25 0.69 0.45 0.00 0.37 0.00 0.00 175.52 177.28 2jxw s ALA 43 N -3.43 3.21 -0.06 6.16 0.00 -1.26 -5.01 121.76 121.37 2jxw s ALA 43 Ca -0.07 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 49.89 2jxw s ALA 43 Cb 0.09 -3.79 0.01 0.00 0.00 0.00 0.00 23.12 19.43 2jxw s ALA 43 CO 0.88 -2.68 -0.12 0.08 0.00 0.00 0.00 175.76 173.91 2jxw s VAL 44 N 3.60 1.12 0.71 0.00 1.01 -1.26 -5.14 120.40 120.44 2jxw s VAL 44 Ca 0.20 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 2jxw s VAL 44 Cb -0.18 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2jxw s VAL 44 CO 0.08 0.35 1.07 -1.59 0.00 0.00 0.00 175.10 175.00 2jxw s LYS 45 N 0.65 2.81 -1.35 2.72 -2.85 -1.26 -4.08 119.74 116.37 2jxw s LYS 45 Ca -0.14 0.86 -0.07 0.00 -1.00 0.00 0.00 55.97 55.62 2jxw s LYS 45 Cb -0.16 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 2jxw s LYS 45 CO 0.04 -1.17 0.47 0.25 0.10 0.00 0.00 175.35 175.04 2jxw n THR 46 N -3.16 -3.40 -0.29 3.79 -2.24 -1.26 -4.88 114.28 102.84 2jxw n THR 46 Ca 0.07 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2jxw n THR 46 Cb 0.54 -2.80 0.29 0.00 -2.10 0.00 0.00 70.33 66.26 2jxw n THR 46 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jxw n VAL 47 N -4.43 0.96 -4.96 2.28 3.14 -1.26 -4.94 118.33 109.11 2jxw n VAL 47 Ca -0.25 -0.98 -0.31 0.00 -2.96 0.00 0.00 64.34 59.84 2jxw n VAL 47 Cb 0.66 0.54 -0.14 0.00 -1.06 0.00 0.00 33.84 33.84 2jxw n VAL 47 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 2jxw s TRP 48 N -1.03 2.50 -0.06 1.45 0.52 -1.26 -3.15 118.94 117.90 2jxw s TRP 48 Ca 0.44 -0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.25 2jxw s TRP 48 Cb 0.23 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 2jxw s TRP 48 CO 0.30 0.13 0.00 0.54 0.02 0.00 0.00 176.95 177.94 2jxw s VAL 49 N -0.76 4.26 -0.22 4.03 0.11 -0.58 -4.92 120.40 122.32 2jxw s VAL 49 Ca 0.12 -0.37 -0.19 0.00 -2.93 0.00 0.00 61.98 58.61 2jxw s VAL 49 Cb -0.10 -2.83 -0.03 0.00 -1.53 0.00 0.00 36.38 31.89 2jxw s VAL 49 CO 0.02 0.53 0.57 -0.70 -3.33 0.00 0.00 175.10 172.18 2jxw s GLU 50 N -1.12 4.16 0.25 1.54 2.12 -1.26 -2.18 118.70 122.21 2jxw s GLU 50 Ca 0.15 0.47 0.11 0.00 0.36 0.00 0.00 54.97 56.07 2jxw s GLU 50 Cb -0.11 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 2jxw s GLU 50 CO 0.05 -0.26 -0.18 0.20 -0.54 0.00 0.00 175.26 174.52 2jxw s GLY 51 N 1.31 1.81 -0.12 -1.50 0.00 0.19 -4.99 107.32 104.02 2jxw s GLY 51 Ca 0.25 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 2jxw s GLY 51 CO 0.09 -1.85 -0.10 -2.27 0.00 0.00 0.00 173.10 168.97 2jxw s LEU 52 N -3.30 2.90 0.13 0.66 2.96 -1.26 -1.05 118.68 119.71 2jxw s LEU 52 Ca 0.28 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 2jxw s LEU 52 Cb -0.06 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2jxw s LEU 52 CO 0.14 0.20 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.79 2jxw s SER 53 N 0.16 4.70 0.49 3.68 0.15 0.53 -4.93 113.70 118.48 2jxw s SER 53 Ca -0.05 -0.34 -0.19 0.00 0.70 0.00 0.00 55.95 56.06 2jxw s SER 53 Cb -0.15 -1.00 -0.12 0.00 -1.71 0.00 0.00 66.02 63.04 2jxw s SER 53 CO 0.04 0.14 0.28 -0.62 1.20 0.00 0.00 173.24 174.28 2jxw n GLU 54 N 0.32 0.31 0.00 5.44 1.02 -1.26 -2.05 120.64 124.42 2jxw n GLU 54 Ca -0.11 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2jxw n GLU 54 Cb 0.53 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 2jxw n GLU 54 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jxw n ASP 55 N 1.51 0.00 0.00 1.62 -0.08 -1.26 -3.92 116.55 114.43 2jxw n ASP 55 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2jxw n ASP 55 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 2jxw n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jxw n GLY 56 N 0.00 -0.04 3.17 0.27 0.00 -0.87 -5.15 105.19 102.57 2jxw n GLY 56 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2jxw n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jxw s PHE 57 N 0.00 2.89 -0.23 1.61 0.08 -1.03 -4.96 117.98 116.34 2jxw s PHE 57 Ca 0.00 -1.52 -0.27 0.00 0.12 0.00 0.00 56.93 55.26 2jxw s PHE 57 Cb 0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2jxw s PHE 57 CO 0.00 -0.74 0.93 0.99 -0.10 0.00 0.00 175.22 176.30 2jxw s THR 58 N 1.33 4.76 0.04 0.64 2.01 -1.26 -0.34 115.64 122.82 2jxw s THR 58 Ca 0.04 1.80 0.05 0.00 0.31 0.00 0.00 61.69 63.89 2jxw s THR 58 Cb -0.14 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2jxw s THR 58 CO -0.09 -0.11 -0.10 -0.72 -0.69 0.00 0.00 174.62 172.90 2jxw s TYR 59 N 2.94 2.76 0.01 4.92 1.13 -0.22 -4.87 117.35 124.03 2jxw s TYR 59 Ca 0.40 -0.13 0.08 0.00 -1.41 0.00 0.00 57.07 56.01 2jxw s TYR 59 Cb -0.15 -1.52 -0.02 0.00 -1.10 0.00 0.00 41.96 39.16 2jxw s TYR 59 CO 0.07 0.36 -0.26 0.71 -2.51 0.00 0.00 175.55 173.92 2jxw s TYR 60 N -1.04 2.34 0.17 -3.49 2.02 -0.64 0.55 117.35 117.26 2jxw s TYR 60 Ca 0.18 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.56 2jxw s TYR 60 Cb -0.11 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 2jxw s TYR 60 CO 0.09 0.04 -0.20 -0.47 -1.57 0.00 0.00 175.55 173.44 2jxw s TYR 61 N -0.70 1.98 -0.20 2.71 5.04 -0.93 0.90 117.35 126.15 2jxw s TYR 61 Ca 0.11 -0.43 -0.02 0.00 -2.44 0.00 0.00 57.07 54.29 2jxw s TYR 61 Cb -0.10 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.22 2jxw s TYR 61 CO 0.00 0.39 -0.08 1.21 -1.34 0.00 0.00 175.55 175.73 2jxw s ASN 62 N -2.65 4.08 0.22 4.32 2.47 -1.16 -1.52 114.94 120.70 2jxw s ASN 62 Ca 0.17 -0.41 0.08 0.00 0.42 0.00 0.00 52.86 53.12 2jxw s ASN 62 Cb -0.07 -1.68 0.19 0.00 -1.45 0.00 0.00 41.25 38.24 2jxw s ASN 62 CO 0.08 0.02 1.51 0.71 -3.72 0.00 0.00 177.10 175.70 2jxw h THR 63 N 5.67 1.50 0.24 -5.21 1.35 -1.91 -0.24 112.91 114.31 2jxw h THR 63 Ca -0.39 -2.42 -0.01 0.00 -0.55 0.00 0.00 66.41 63.04 2jxw h THR 63 Cb 1.17 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 2jxw h THR 63 CO 0.60 0.70 -0.11 -0.08 -0.25 0.00 0.00 175.52 176.37 2jxw h GLU 64 N 0.04 -0.31 0.01 4.72 4.57 -1.95 -3.38 114.58 118.29 2jxw h GLU 64 Ca -0.01 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2jxw h GLU 64 Cb 1.28 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2jxw h GLU 64 CO 0.10 -0.21 -0.13 1.79 -1.18 0.00 0.00 179.01 179.38 2jxw h THR 65 N -0.39 1.68 -0.01 0.32 1.35 -1.97 -3.49 112.91 110.40 2jxw h THR 65 Ca -0.03 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 2jxw h THR 65 Cb 0.25 3.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2jxw h THR 65 CO 0.05 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 2jxw n GLY 66 N 1.36 0.89 3.03 5.82 0.00 -0.10 -5.09 105.19 111.10 2jxw n GLY 66 Ca -0.10 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2jxw n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jxw s GLU 67 N 0.18 1.40 0.43 1.61 2.12 -1.24 -4.94 118.70 118.27 2jxw s GLU 67 Ca 0.00 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 54.70 2jxw s GLU 67 Cb 0.00 -1.23 -0.08 0.00 0.26 0.00 0.00 34.13 33.08 2jxw s GLU 67 CO 0.00 0.10 1.09 -1.54 -0.54 0.00 0.00 175.26 174.37 2jxw s SER 68 N 0.37 6.48 0.12 -1.70 1.04 -1.26 -2.98 113.70 115.76 2jxw s SER 68 Ca -0.08 2.12 0.04 0.00 0.48 0.00 0.00 55.95 58.51 2jxw s SER 68 Cb -0.12 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2jxw s SER 68 CO 0.02 -0.69 -0.10 -0.60 0.98 0.00 0.00 173.24 172.85 2jxw s ARG 69 N -2.67 0.93 -0.15 4.02 6.06 0.26 -4.99 118.95 122.40 2jxw s ARG 69 Ca 0.61 -1.29 0.16 0.00 -2.50 0.00 0.00 55.73 52.71 2jxw s ARG 69 Cb -0.24 -0.54 0.43 0.00 0.06 0.00 0.00 34.95 34.66 2jxw s ARG 69 CO 0.29 0.07 1.20 0.91 -2.50 0.00 0.00 175.30 175.27 2jxw n TRP 70 N 0.20 0.18 -3.67 5.12 7.02 -1.26 -1.62 117.44 123.41 2jxw n TRP 70 Ca -0.13 -1.26 -0.12 0.00 -1.02 0.00 0.00 57.50 54.97 2jxw n TRP 70 Cb 0.59 -0.22 -0.12 0.00 -2.42 0.00 0.00 31.31 29.14 2jxw n TRP 70 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jxw s GLU 71 N -2.31 0.22 0.04 -0.99 2.02 -1.26 -5.02 118.70 111.40 2jxw s GLU 71 Ca 0.37 0.79 -0.30 0.00 0.02 0.00 0.00 54.97 55.85 2jxw s GLU 71 Cb 0.38 0.04 -0.08 0.00 0.10 0.00 0.00 34.13 34.57 2jxw s GLU 71 CO -0.09 -0.25 1.65 -1.59 0.02 0.00 0.00 175.26 175.00 2jxw s LYS 72 N 2.19 4.20 -0.95 1.61 -2.85 -1.26 -4.87 119.74 117.81 2jxw s LYS 72 Ca -0.02 2.29 -0.26 0.00 -1.00 0.00 0.00 55.97 56.98 2jxw s LYS 72 Cb -0.11 -3.71 -0.17 0.00 -2.06 0.00 0.00 37.83 31.78 2jxw s LYS 72 CO -0.10 -0.76 2.22 -2.14 0.10 0.00 0.00 175.35 174.68 2jxw s PRO 73 N 3.01 1.53 -0.27 1.78 0.02 -1.26 -4.90 135.00 134.91 2jxw s PRO 73 Ca 0.74 -0.07 -0.09 0.00 0.02 0.00 0.00 61.00 61.60 2jxw s PRO 73 Cb -0.38 -4.92 -0.04 0.00 0.02 0.00 0.00 34.50 29.19 2jxw s PRO 73 CO 0.32 -4.82 0.14 0.34 -0.33 0.00 0.00 177.00 172.64 2jxw s ASP 74 N 9.40 5.60 0.00 2.53 2.15 -1.26 -5.20 116.67 129.89 2jxw s ASP 74 Ca 0.85 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.69 2jxw s ASP 74 Cb -0.08 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 2jxw s ASP 74 CO 0.12 -0.06 0.12 0.47 -0.17 0.00 0.00 175.17 175.65