#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mj2 n GLU 2 N 0.00 0.92 -2.84 0.00 0.00 -1.26 -5.10 120.64 112.37 1mj2 n GLU 2 Ca 0.00 -3.38 -0.41 0.00 0.00 0.00 0.00 57.16 53.37 1mj2 n GLU 2 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 31.44 30.05 1mj2 n GLU 2 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 1mj2 s TRP 3 N -1.42 3.66 0.04 -1.84 -0.00 -1.26 -4.98 118.94 113.14 1mj2 s TRP 3 Ca 0.36 1.56 -0.19 0.00 -0.00 0.00 0.00 56.10 57.83 1mj2 s TRP 3 Cb 0.18 -2.99 -0.09 0.00 -0.00 0.00 0.00 33.47 30.57 1mj2 s TRP 3 CO -0.10 0.07 1.30 0.66 -0.00 0.00 0.00 176.95 178.88 1mj2 h SER 4 N 6.54 -0.72 0.00 5.86 4.64 -1.93 -3.47 113.55 124.46 1mj2 h SER 4 Ca -0.42 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1mj2 h SER 4 Cb 1.21 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1mj2 h SER 4 CO 0.74 -0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1mj2 n GLY 5 N -1.31 -0.09 3.47 -0.77 0.00 -1.26 -4.95 105.19 100.28 1mj2 n GLY 5 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 1mj2 n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mj2 s GLU 6 N 0.00 3.73 0.08 1.61 2.02 -1.26 -4.82 118.70 120.06 1mj2 s GLU 6 Ca 0.00 -1.92 -0.31 0.00 0.02 0.00 0.00 54.97 52.77 1mj2 s GLU 6 Cb 0.00 -5.01 -0.09 0.00 0.10 0.00 0.00 34.13 29.13 1mj2 s GLU 6 CO 0.00 -1.83 1.75 -0.47 0.02 0.00 0.00 175.26 174.73 1mj2 s TYR 7 N 2.67 2.18 -0.21 1.61 5.04 -1.26 -5.00 117.35 122.38 1mj2 s TYR 7 Ca 0.37 0.11 -0.05 0.00 -2.44 0.00 0.00 57.07 55.06 1mj2 s TYR 7 Cb -0.04 -4.07 -0.02 0.00 0.35 0.00 0.00 41.96 38.18 1mj2 s TYR 7 CO -0.07 -4.40 0.00 0.42 -1.34 0.00 0.00 175.55 170.16 1mj2 s ILE 8 N 2.95 3.91 0.08 3.14 1.01 -1.26 -4.75 121.20 126.28 1mj2 s ILE 8 Ca 0.78 -0.32 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 1mj2 s ILE 8 Cb -0.42 -2.78 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 1mj2 s ILE 8 CO 0.35 0.42 1.44 -0.55 0.00 0.00 0.00 174.94 176.59 1mj2 s SER 9 N 1.15 6.79 0.15 3.58 0.15 -1.26 -4.89 113.70 119.37 1mj2 s SER 9 Ca 0.03 2.29 0.26 0.00 0.70 0.00 0.00 55.95 59.23 1mj2 s SER 9 Cb -0.14 -2.58 0.93 0.00 -1.71 0.00 0.00 66.02 62.52 1mj2 s SER 9 CO 0.01 -0.71 1.79 -0.81 1.20 0.00 0.00 173.24 174.73 1mj2 n PRO 10 N 4.60 0.18 -3.72 5.44 -0.05 -1.26 -4.87 135.00 135.32 1mj2 n PRO 10 Ca 0.13 0.19 -0.21 0.00 -0.05 0.00 0.00 63.50 63.55 1mj2 n PRO 10 Cb 0.42 -1.72 -0.04 0.00 -0.05 0.00 0.00 33.50 32.11 1mj2 n PRO 10 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 1mj2 s TYR 11 N -3.10 2.79 0.11 0.54 2.02 -1.26 -4.76 117.35 113.69 1mj2 s TYR 11 Ca 0.11 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 1mj2 s TYR 11 Cb 0.14 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1mj2 s TYR 11 CO 0.54 0.05 0.17 0.00 -1.57 0.00 0.00 175.55 174.75 1mj2 s ALA 12 N -2.40 3.77 0.06 3.71 0.00 -1.26 -5.05 121.76 120.60 1mj2 s ALA 12 Ca 0.44 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1mj2 s ALA 12 Cb -0.04 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 1mj2 s ALA 12 CO 0.27 0.67 1.92 -1.21 0.00 0.00 0.00 175.76 177.40 1mj2 s GLU 13 N -2.78 4.14 0.33 0.00 0.41 -1.26 -4.87 118.70 114.67 1mj2 s GLU 13 Ca 0.32 2.60 -0.29 0.00 -0.41 0.00 0.00 54.97 57.19 1mj2 s GLU 13 Cb -0.12 -4.00 -0.12 0.00 -1.78 0.00 0.00 34.13 28.12 1mj2 s GLU 13 CO 0.25 -0.92 1.52 1.58 -0.49 0.00 0.00 175.26 177.20 1mj2 n HIS 14 N 7.00 2.84 0.00 1.61 -0.00 -1.26 -0.08 115.22 125.33 1mj2 n HIS 14 Ca 0.19 0.37 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 1mj2 n HIS 14 Cb 0.40 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 1mj2 n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mj2 n GLY 15 N 1.32 2.76 1.94 1.57 0.00 -1.26 -4.72 105.19 106.80 1mj2 n GLY 15 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1mj2 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mj2 n LYS 16 N -0.07 3.74 0.12 1.61 4.01 0.88 -4.44 118.16 124.01 1mj2 n LYS 16 Ca 0.00 -3.10 -0.24 0.00 -0.51 0.00 0.00 58.31 54.46 1mj2 n LYS 16 Cb 0.00 -2.20 -0.16 0.00 -0.51 0.00 0.00 35.03 32.16 1mj2 n LYS 16 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1mj2 h LYS 17 N 2.69 0.48 0.00 1.97 1.57 -1.74 -1.86 116.57 119.68 1mj2 h LYS 17 Ca 0.24 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1mj2 h LYS 17 Cb 2.28 0.31 0.00 0.00 0.08 0.00 0.00 32.23 34.89 1mj2 h LYS 17 CO 0.70 1.39 0.00 -1.13 -0.57 0.00 0.00 179.45 179.85 1mj2 n SER 18 N -3.76 0.00 0.00 0.86 3.41 -1.26 0.83 113.62 113.70 1mj2 n SER 18 Ca -0.18 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1mj2 n SER 18 Cb 1.06 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1mj2 n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mj2 n GLU 19 N -1.42 0.55 0.04 4.33 1.02 -1.24 -4.74 120.64 119.17 1mj2 n GLU 19 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1mj2 n GLU 19 Cb 0.01 -0.99 0.20 0.00 -0.02 0.00 0.00 31.44 30.63 1mj2 n GLU 19 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1mj2 n GLN 20 N -2.41 0.20 -4.48 3.49 6.02 -0.70 -4.86 117.38 114.64 1mj2 n GLN 20 Ca 0.00 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 1mj2 n GLN 20 Cb 0.49 -1.62 -0.12 0.00 1.02 0.00 0.00 30.24 30.01 1mj2 n GLN 20 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1mj2 s VAL 21 N -3.12 3.77 0.26 5.09 1.01 0.24 -4.97 120.40 122.70 1mj2 s VAL 21 Ca 0.08 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1mj2 s VAL 21 Cb 0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1mj2 s VAL 21 CO 0.71 0.51 0.01 -0.54 0.00 0.00 0.00 175.10 175.80 1mj2 s LYS 22 N 0.20 2.34 -0.14 2.72 3.01 -1.26 -4.75 119.74 121.86 1mj2 s LYS 22 Ca -0.03 -1.39 -0.00 0.00 -1.01 0.00 0.00 55.97 53.54 1mj2 s LYS 22 Cb -0.14 -2.19 -0.01 0.00 -1.01 0.00 0.00 37.83 34.48 1mj2 s LYS 22 CO 0.03 0.37 -0.13 0.15 0.51 0.00 0.00 175.35 176.28 1mj2 s LYS 23 N -3.68 3.36 0.14 1.68 -0.14 -1.26 -5.11 119.74 114.72 1mj2 s LYS 23 Ca 0.31 -0.69 0.09 0.00 -1.36 0.00 0.00 55.97 54.32 1mj2 s LYS 23 Cb -0.07 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.39 1mj2 s LYS 23 CO 0.20 0.15 -0.21 0.96 -0.76 0.00 0.00 175.35 175.69 1mj2 s ILE 24 N 0.50 1.91 -0.43 2.17 -4.36 -1.26 -5.10 121.20 114.63 1mj2 s ILE 24 Ca -0.09 -1.76 -0.16 0.00 -0.26 0.00 0.00 60.65 58.39 1mj2 s ILE 24 Cb -0.16 -1.79 0.04 0.00 1.25 0.00 0.00 42.46 41.80 1mj2 s ILE 24 CO 0.04 -0.13 0.36 -0.89 0.24 0.00 0.00 174.94 174.56 1mj2 s THR 25 N -1.49 5.21 -0.21 8.37 2.01 -1.26 -5.05 115.64 123.22 1mj2 s THR 25 Ca 0.12 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1mj2 s THR 25 Cb -0.08 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1mj2 s THR 25 CO 0.06 -0.43 0.11 -0.69 -0.69 0.00 0.00 174.62 172.98 1mj2 s VAL 26 N 1.77 5.03 -0.19 3.82 1.01 -1.26 -5.07 120.40 125.51 1mj2 s VAL 26 Ca 0.06 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 1mj2 s VAL 26 Cb -0.20 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1mj2 s VAL 26 CO 0.10 0.41 0.60 -0.44 0.00 0.00 0.00 175.10 175.76 1mj2 s SER 27 N 0.70 6.66 -0.06 3.32 0.01 -1.26 -5.05 113.70 118.02 1mj2 s SER 27 Ca 0.06 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1mj2 s SER 27 Cb -0.13 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.79 1mj2 s SER 27 CO 0.02 -0.24 -0.04 -0.51 0.41 0.00 0.00 173.24 172.88 1mj2 s ILE 28 N 1.77 0.57 0.33 1.44 2.07 -1.26 -5.11 121.20 121.01 1mj2 s ILE 28 Ca 0.28 -0.10 -0.28 0.00 -1.41 0.00 0.00 60.65 59.14 1mj2 s ILE 28 Cb -0.16 -0.62 -0.13 0.00 0.13 0.00 0.00 42.46 41.69 1mj2 s ILE 28 CO 0.10 0.25 1.22 -2.65 -1.91 0.00 0.00 174.94 171.95 1mj2 n PRO 29 N 4.36 1.92 0.09 3.50 -0.02 -1.26 -4.75 135.00 138.85 1mj2 n PRO 29 Ca -0.20 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.14 1mj2 n PRO 29 Cb 0.51 -2.20 0.73 0.00 -0.02 0.00 0.00 33.50 32.52 1mj2 n PRO 29 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1mj2 h LEU 30 N 2.41 0.00 -0.82 2.45 3.38 -1.99 -0.51 115.31 120.22 1mj2 h LEU 30 Ca -0.44 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1mj2 h LEU 30 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1mj2 h LEU 30 CO 0.62 0.00 -0.41 0.50 0.09 0.00 0.00 178.44 179.24 1mj2 h LYS 31 N 0.00 0.37 0.18 1.13 1.63 -2.01 -1.99 116.57 115.89 1mj2 h LYS 31 Ca 0.18 -0.19 -0.31 0.00 -0.85 0.00 0.00 60.65 59.49 1mj2 h LYS 31 Cb 0.79 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.45 1mj2 h LYS 31 CO -0.00 0.73 -1.35 0.28 -3.45 0.00 0.00 179.45 175.66 1mj2 h VAL 32 N 0.31 1.36 -0.79 2.00 2.07 -1.48 -3.20 116.25 116.52 1mj2 h VAL 32 Ca 0.03 -2.77 0.06 0.00 0.82 0.00 0.00 66.70 64.84 1mj2 h VAL 32 Cb 0.86 2.93 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 1mj2 h VAL 32 CO 0.07 0.83 0.52 0.25 0.02 0.00 0.00 177.57 179.25 1mj2 h LEU 33 N 0.15 0.75 -0.06 2.57 5.85 -1.07 0.26 115.31 123.77 1mj2 h LEU 33 Ca -0.20 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1mj2 h LEU 33 Cb 2.04 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.91 1mj2 h LEU 33 CO 0.24 0.49 -0.01 0.50 -0.34 0.00 0.00 178.44 179.32 1mj2 h LYS 34 N 0.86 0.11 -0.79 1.25 3.64 -1.42 0.41 116.57 120.63 1mj2 h LYS 34 Ca 0.34 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1mj2 h LYS 34 Cb 0.22 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1mj2 h LYS 34 CO -0.12 0.44 0.50 0.82 -2.27 0.00 0.00 179.45 178.83 1mj2 h ILE 35 N -0.23 1.21 0.36 2.00 2.04 -1.34 0.35 117.51 121.89 1mj2 h ILE 35 Ca 0.01 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1mj2 h ILE 35 Cb 0.40 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1mj2 h ILE 35 CO 0.01 0.21 -0.17 0.25 0.00 0.00 0.00 178.15 178.44 1mj2 h LEU 36 N 1.07 -0.41 -1.30 1.44 5.85 -0.38 -2.42 115.31 119.16 1mj2 h LEU 36 Ca 0.29 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1mj2 h LEU 36 Cb -0.09 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1mj2 h LEU 36 CO -0.06 -0.11 0.31 0.74 -0.34 0.00 0.00 178.44 178.98 1mj2 h THR 37 N -0.71 1.18 -0.61 1.05 2.02 -0.00 -1.74 112.91 114.08 1mj2 h THR 37 Ca -0.05 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1mj2 h THR 37 Cb 0.49 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1mj2 h THR 37 CO 0.08 0.20 0.07 0.44 0.37 0.00 0.00 175.52 176.68 1mj2 h ASP 38 N 0.79 0.97 -0.07 4.18 3.32 -0.26 -0.64 116.42 124.70 1mj2 h ASP 38 Ca 0.20 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1mj2 h ASP 38 Cb 0.03 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1mj2 h ASP 38 CO -0.03 0.98 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.17 1mj2 h GLU 39 N 0.94 0.48 -0.31 3.56 4.57 -0.86 -0.96 114.58 122.01 1mj2 h GLU 39 Ca 0.19 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1mj2 h GLU 39 Cb 0.44 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1mj2 h GLU 39 CO 0.02 0.68 0.05 -0.09 -1.18 0.00 0.00 179.01 178.48 1mj2 h ARG 40 N 0.43 0.51 -0.49 1.92 2.43 -0.78 -2.01 114.38 116.39 1mj2 h ARG 40 Ca 0.07 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1mj2 h ARG 40 Cb 0.62 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1mj2 h ARG 40 CO 0.04 0.60 0.22 1.15 -1.51 0.00 0.00 179.97 180.48 1mj2 h THR 41 N 0.33 0.91 -0.47 0.20 2.02 -0.75 -1.39 112.91 113.77 1mj2 h THR 41 Ca 0.09 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1mj2 h THR 41 Cb 0.34 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 1mj2 h THR 41 CO 0.01 0.08 0.15 -0.09 0.37 0.00 0.00 175.52 176.03 1mj2 h ARG 42 N 0.43 0.30 -0.61 6.66 2.43 -0.88 0.05 114.38 122.76 1mj2 h ARG 42 Ca 0.22 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1mj2 h ARG 42 Cb 0.18 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1mj2 h ARG 42 CO -0.19 0.20 0.39 0.00 -1.51 0.00 0.00 179.97 178.87 1mj2 h ARG 43 N 0.31 0.77 0.00 0.20 3.08 -0.90 -2.90 114.38 114.93 1mj2 h ARG 43 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1mj2 h ARG 43 Cb 0.25 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1mj2 h ARG 43 CO -0.25 0.51 0.00 1.63 -1.07 0.00 0.00 179.97 180.79 1mj2 n LYS 44 N -4.68 0.00 0.00 0.04 5.02 -0.47 -0.68 118.16 117.39 1mj2 n LYS 44 Ca 0.05 0.57 0.01 0.00 -2.02 0.00 0.00 58.31 56.91 1mj2 n LYS 44 Cb 0.04 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1mj2 n LYS 44 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1mj2 n VAL 45 N -2.08 0.00 -0.81 -0.18 0.24 -0.12 -0.78 118.33 114.59 1mj2 n VAL 45 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1mj2 n VAL 45 Cb 0.00 -0.73 0.05 0.00 -1.47 0.00 0.00 33.84 31.69 1mj2 n VAL 45 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1mj2 n ASN 46 N -0.77 1.60 -2.95 -1.34 4.13 -1.07 -5.00 115.26 109.86 1mj2 n ASN 46 Ca 0.01 -2.28 -0.19 0.00 1.68 0.00 0.00 54.58 53.79 1mj2 n ASN 46 Cb 0.00 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1mj2 n ASN 46 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mj2 n ASN 47 N -0.72 -4.27 -4.90 6.41 3.02 0.04 -4.96 115.26 109.87 1mj2 n ASN 47 Ca 0.06 -0.15 -0.28 0.00 -0.03 0.00 0.00 54.58 54.17 1mj2 n ASN 47 Cb 0.49 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 36.10 1mj2 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mj2 s LEU 48 N -6.20 3.82 0.93 3.41 1.43 0.15 -4.90 118.68 117.32 1mj2 s LEU 48 Ca 0.23 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.10 1mj2 s LEU 48 Cb -0.12 -3.82 0.17 0.00 0.03 0.00 0.00 46.19 42.46 1mj2 s LEU 48 CO 0.28 -0.41 1.29 -0.13 0.23 0.00 0.00 176.35 177.61 1mj2 s ARG 49 N -4.12 0.91 -1.39 1.70 0.52 0.19 -4.39 118.95 112.36 1mj2 s ARG 49 Ca 0.48 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 55.38 1mj2 s ARG 49 Cb -0.10 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1mj2 s ARG 49 CO 0.36 -2.25 0.43 0.72 0.02 0.00 0.00 175.30 174.57 1mj2 n HIS 50 N -3.68 -1.64 -1.45 -0.53 8.25 -1.26 -4.85 115.22 110.06 1mj2 n HIS 50 Ca 0.14 0.72 -0.28 0.00 -0.26 0.00 0.00 57.72 58.03 1mj2 n HIS 50 Cb 0.60 -3.69 -0.07 0.00 1.12 0.00 0.00 29.99 27.95 1mj2 n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mj2 n ALA 51 N -4.40 6.74 -2.42 -1.41 0.00 -1.26 -4.63 120.51 113.13 1mj2 n ALA 51 Ca -0.30 -3.07 -0.16 0.00 0.00 0.00 0.00 53.44 49.91 1mj2 n ALA 51 Cb 0.68 -2.57 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 1mj2 n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mj2 s THR 52 N -0.30 1.27 0.08 0.00 -4.23 -1.26 -4.85 115.64 106.34 1mj2 s THR 52 Ca 0.62 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 59.13 1mj2 s THR 52 Cb 0.28 -1.64 -0.13 0.00 1.34 0.00 0.00 72.50 72.35 1mj2 s THR 52 CO -0.10 -0.54 1.33 0.78 -0.54 0.00 0.00 174.62 175.55 1mj2 h ASN 53 N 3.24 0.73 -0.58 3.99 2.35 -1.92 -2.56 115.58 120.84 1mj2 h ASN 53 Ca -0.38 -0.56 0.07 0.00 -0.55 0.00 0.00 56.30 54.87 1mj2 h ASN 53 Cb 1.20 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.30 1mj2 h ASN 53 CO 0.55 1.16 0.27 0.28 -1.65 0.00 0.00 177.43 178.04 1mj2 h SER 54 N 0.34 0.35 -0.09 5.81 0.02 -1.97 -1.26 113.55 116.75 1mj2 h SER 54 Ca -0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1mj2 h SER 54 Cb 1.06 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 1mj2 h SER 54 CO 0.10 0.22 0.02 -0.33 -1.14 0.00 0.00 176.83 175.71 1mj2 h GLU 55 N 0.50 0.14 -0.86 3.45 5.08 -1.88 0.91 114.58 121.92 1mj2 h GLU 55 Ca 0.27 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.74 1mj2 h GLU 55 Cb 0.25 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 1mj2 h GLU 55 CO -0.22 0.32 0.46 -0.07 -1.00 0.00 0.00 179.01 178.50 1mj2 h LEU 56 N -0.06 0.57 -0.42 1.33 3.38 -1.12 -0.92 115.31 118.08 1mj2 h LEU 56 Ca 0.03 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1mj2 h LEU 56 Cb 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1mj2 h LEU 56 CO -0.00 0.25 -0.25 -0.07 0.09 0.00 0.00 178.44 178.46 1mj2 h LEU 57 N 0.66 0.95 -0.73 1.67 3.38 -0.83 -1.36 115.31 119.04 1mj2 h LEU 57 Ca 0.47 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1mj2 h LEU 57 Cb 0.64 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1mj2 h LEU 57 CO -0.35 1.16 0.06 0.00 0.09 0.00 0.00 178.44 179.40 1mj2 h GLU 59 N 0.96 0.51 -0.90 0.00 5.08 -1.16 -2.71 114.58 116.35 1mj2 h GLU 59 Ca 0.18 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1mj2 h GLU 59 Cb 0.47 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1mj2 h GLU 59 CO 0.02 0.71 0.59 0.00 -1.00 0.00 0.00 179.01 179.33 1mj2 h ALA 60 N 0.78 1.42 0.00 3.43 0.00 -1.14 -1.87 119.26 121.89 1mj2 h ALA 60 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mj2 h ALA 60 Cb 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1mj2 h ALA 60 CO 0.02 0.49 -0.00 0.35 0.00 0.00 0.00 179.25 180.12 1mj2 h PHE 61 N 1.14 -0.01 0.00 0.00 3.57 -1.23 -0.17 116.94 120.23 1mj2 h PHE 61 Ca 0.35 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 1mj2 h PHE 61 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1mj2 h PHE 61 CO -0.00 0.48 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.38 1mj2 h LEU 62 N -0.49 0.00 0.04 0.59 3.38 -1.41 0.70 115.31 118.12 1mj2 h LEU 62 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1mj2 h LEU 62 Cb 0.48 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.25 1mj2 h LEU 62 CO 0.00 0.11 -0.78 -0.74 0.09 0.00 0.00 178.44 177.12 1mj2 h HIS 63 N 0.00 0.71 -0.46 1.13 2.76 -1.29 0.11 115.15 118.11 1mj2 h HIS 63 Ca -0.00 -0.41 -0.06 0.00 -2.20 0.00 0.00 60.37 57.69 1mj2 h HIS 63 Cb 0.23 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1mj2 h HIS 63 CO 0.00 1.25 0.05 0.00 -1.30 0.00 0.00 177.93 177.93 1mj2 h ALA 64 N 0.28 0.61 0.39 5.26 0.00 -0.28 0.16 119.26 125.69 1mj2 h ALA 64 Ca -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1mj2 h ALA 64 Cb 1.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1mj2 h ALA 64 CO 0.15 0.36 -0.19 0.35 0.00 0.00 0.00 179.25 179.93 1mj2 h PHE 65 N 0.64 -0.49 0.00 0.00 3.57 0.35 -3.37 116.94 117.64 1mj2 h PHE 65 Ca 0.14 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1mj2 h PHE 65 Cb 0.42 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1mj2 h PHE 65 CO 0.03 -0.24 -1.04 1.79 -2.23 0.00 0.00 178.31 176.61 1mj2 h THR 66 N -1.10 0.18 0.00 4.41 1.35 -1.10 -3.48 112.91 113.18 1mj2 h THR 66 Ca -0.05 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1mj2 h THR 66 Cb 0.46 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1mj2 h THR 66 CO 0.09 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1mj2 n GLY 67 N 1.24 0.61 3.74 5.82 0.00 0.56 -4.56 105.19 112.61 1mj2 n GLY 67 Ca -0.03 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1mj2 n GLY 67 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mj2 s GLN 68 N -0.78 4.57 0.35 1.61 -2.07 -1.25 -4.68 119.66 117.42 1mj2 s GLN 68 Ca 0.00 1.77 -0.26 0.00 -1.82 0.00 0.00 55.36 55.04 1mj2 s GLN 68 Cb 0.00 -3.26 -0.12 0.00 -1.09 0.00 0.00 33.01 28.54 1mj2 s GLN 68 CO 0.00 0.05 1.05 -0.35 -1.32 0.00 0.00 175.29 174.72 1mj2 n PRO 69 N 2.24 1.47 -1.73 9.60 -0.04 -1.26 -4.31 135.00 140.97 1mj2 n PRO 69 Ca 0.03 0.52 -0.30 0.00 -0.04 0.00 0.00 63.50 63.71 1mj2 n PRO 69 Cb 0.46 -2.00 0.07 0.00 -0.04 0.00 0.00 33.50 31.99 1mj2 n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mj2 s LEU 70 N -0.17 2.68 0.13 1.53 1.43 -1.26 -4.82 118.68 118.20 1mj2 s LEU 70 Ca 0.60 1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 54.61 1mj2 s LEU 70 Cb -0.62 -3.81 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 1mj2 s LEU 70 CO 0.59 -1.73 0.73 -2.16 0.23 0.00 0.00 176.35 174.01 1mj2 s PRO 71 N -5.30 4.48 0.69 1.29 0.04 -1.26 -4.86 135.00 130.08 1mj2 s PRO 71 Ca 0.60 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.71 1mj2 s PRO 71 Cb -0.13 -3.27 0.12 0.00 0.04 0.00 0.00 34.50 31.27 1mj2 s PRO 71 CO 0.52 0.55 0.95 0.16 0.04 0.00 0.00 177.00 179.22 1mj2 s ASP 72 N -0.98 4.48 0.20 6.66 1.47 -1.26 -4.91 116.67 122.34 1mj2 s ASP 72 Ca 0.35 -0.52 -0.11 0.00 1.18 0.00 0.00 52.55 53.45 1mj2 s ASP 72 Cb -0.22 0.12 0.15 0.00 -0.34 0.00 0.00 42.92 42.64 1mj2 s ASP 72 CO 0.24 -1.77 1.86 0.44 0.68 0.00 0.00 175.17 176.62 1mj2 h ASP 73 N -0.38 0.78 -0.74 2.11 3.32 -1.97 -1.61 116.42 117.92 1mj2 h ASP 73 Ca -0.34 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.77 1mj2 h ASP 73 Cb 1.27 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 1mj2 h ASP 73 CO 0.39 0.55 0.41 0.00 -1.72 0.00 0.00 179.24 178.88 1mj2 h ALA 74 N 1.27 1.02 0.00 3.45 0.00 -2.02 0.19 119.26 123.18 1mj2 h ALA 74 Ca 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1mj2 h ALA 74 Cb -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1mj2 h ALA 74 CO -0.07 0.07 -0.12 -0.44 0.00 0.00 0.00 179.25 178.68 1mj2 h ASP 75 N 0.73 0.00 -0.07 0.00 3.32 -1.75 -2.38 116.42 116.27 1mj2 h ASP 75 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1mj2 h ASP 75 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1mj2 h ASP 75 CO -0.22 0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.60 1mj2 n LEU 76 N -3.66 1.08 -0.00 1.55 4.77 0.67 -2.75 117.00 118.66 1mj2 n LEU 76 Ca -0.02 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1mj2 n LEU 76 Cb 0.24 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1mj2 n LEU 76 CO 0.30 0.22 -0.35 0.54 -1.33 0.00 0.00 177.39 176.77 1mj2 n ARG 77 N -0.07 2.16 -1.73 3.23 1.74 -0.89 0.55 116.66 121.66 1mj2 n ARG 77 Ca 0.03 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 1mj2 n ARG 77 Cb 0.24 -0.85 0.04 0.00 -1.02 0.00 0.00 32.46 30.87 1mj2 n ARG 77 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1mj2 s LYS 78 N -1.70 3.05 0.36 5.56 1.02 -1.11 -5.01 119.74 121.92 1mj2 s LYS 78 Ca -0.00 1.04 -0.01 0.00 0.02 0.00 0.00 55.97 57.02 1mj2 s LYS 78 Cb 0.00 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1mj2 s LYS 78 CO 0.01 -1.01 0.59 -1.21 -0.92 0.00 0.00 175.35 172.81 1mj2 s GLU 79 N -4.71 3.52 0.25 1.68 0.41 -1.26 -4.88 118.70 113.71 1mj2 s GLU 79 Ca 0.60 -0.20 0.12 0.00 -0.41 0.00 0.00 54.97 55.09 1mj2 s GLU 79 Cb -0.15 -2.61 0.67 0.00 -1.78 0.00 0.00 34.13 30.26 1mj2 s GLU 79 CO 0.49 0.10 1.29 0.54 -0.49 0.00 0.00 175.26 177.19 1mj2 n ARG 80 N -1.73 0.08 -0.04 1.61 5.12 -1.26 0.13 116.66 120.58 1mj2 n ARG 80 Ca -0.03 0.54 -0.11 0.00 -1.93 0.00 0.00 57.85 56.32 1mj2 n ARG 80 Cb 0.56 -1.95 0.04 0.00 -1.16 0.00 0.00 32.46 29.94 1mj2 n ARG 80 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1mj2 h SER 81 N 0.00 0.75 -2.18 0.55 4.64 -2.04 -3.26 113.55 112.01 1mj2 h SER 81 Ca 0.00 -0.37 -0.58 0.00 -0.47 0.00 0.00 61.79 60.37 1mj2 h SER 81 Cb 0.37 -0.21 -0.41 0.00 -0.31 0.00 0.00 62.40 61.83 1mj2 h SER 81 CO 0.00 1.11 -0.74 -0.67 -0.87 0.00 0.00 176.83 175.66 1mj2 n ASP 82 N -4.00 3.28 0.05 4.97 2.03 0.34 -4.91 116.55 118.31 1mj2 n ASP 82 Ca -0.03 -3.40 -0.12 0.00 0.52 0.00 0.00 54.79 51.77 1mj2 n ASP 82 Cb 0.58 -0.62 -0.13 0.00 -0.72 0.00 0.00 41.12 40.22 1mj2 n ASP 82 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1mj2 h GLU 83 N 3.58 0.12 -6.43 -0.67 4.81 -1.43 -3.37 114.58 111.20 1mj2 h GLU 83 Ca 0.15 -0.20 -0.60 0.00 -0.13 0.00 0.00 59.36 58.58 1mj2 h GLU 83 Cb 0.66 0.08 0.04 0.00 0.63 0.00 0.00 28.75 30.16 1mj2 h GLU 83 CO 0.75 0.96 0.89 -0.89 -0.73 0.00 0.00 179.01 179.99 1mj2 n ILE 84 N -3.34 0.19 -1.61 2.32 5.41 -1.26 -4.89 119.36 116.18 1mj2 n ILE 84 Ca -0.11 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.19 1mj2 n ILE 84 Cb 1.01 -1.63 0.01 0.00 -0.71 0.00 0.00 39.64 38.32 1mj2 n ILE 84 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1mj2 n PRO 85 N 4.45 1.35 -0.11 0.38 -0.02 -1.26 -4.75 135.00 135.05 1mj2 n PRO 85 Ca 0.19 0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 62.10 1mj2 n PRO 85 Cb 0.29 -2.02 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1mj2 n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mj2 h GLU 86 N 1.58 0.05 -0.23 -0.52 4.39 -1.92 -0.40 114.58 117.53 1mj2 h GLU 86 Ca -0.44 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.32 1mj2 h GLU 86 Cb 1.34 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1mj2 h GLU 86 CO 0.57 0.03 0.20 0.00 -1.16 0.00 0.00 179.01 178.65 1mj2 h ALA 87 N 1.34 2.02 -0.01 3.43 0.00 -1.93 0.19 119.26 124.30 1mj2 h ALA 87 Ca 0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1mj2 h ALA 87 Cb 0.26 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1mj2 h ALA 87 CO -0.33 -0.32 -0.97 0.00 0.00 0.00 0.00 179.25 177.63 1mj2 h ALA 88 N 1.82 0.27 -0.52 0.00 0.00 -1.44 -2.35 119.26 117.03 1mj2 h ALA 88 Ca 0.11 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1mj2 h ALA 88 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1mj2 h ALA 88 CO -0.00 0.75 -0.11 0.87 0.00 0.00 0.00 179.25 180.76 1mj2 h LYS 89 N 0.33 0.98 -0.69 0.00 1.57 0.07 0.29 116.57 119.12 1mj2 h LYS 89 Ca -0.10 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 1mj2 h LYS 89 Cb 1.61 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.83 1mj2 h LYS 89 CO 0.18 1.03 0.23 1.49 -0.57 0.00 0.00 179.45 181.81 1mj2 h GLU 90 N 0.87 1.06 -0.26 3.15 4.57 -0.78 -0.45 114.58 122.74 1mj2 h GLU 90 Ca 0.14 -0.22 -0.18 0.00 -1.18 0.00 0.00 59.36 57.92 1mj2 h GLU 90 Cb 0.66 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1mj2 h GLU 90 CO 0.05 0.90 -0.57 0.82 -1.18 0.00 0.00 179.01 179.03 1mj2 h ILE 91 N 1.00 1.28 -0.77 2.32 2.04 -1.12 -2.58 117.51 119.69 1mj2 h ILE 91 Ca 0.22 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.32 1mj2 h ILE 91 Cb 0.27 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1mj2 h ILE 91 CO -0.01 0.57 0.51 0.24 0.00 0.00 0.00 178.15 179.46 1mj2 h MET 92 N 0.61 1.01 0.41 2.37 2.86 -0.09 -1.83 114.93 120.28 1mj2 h MET 92 Ca 0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1mj2 h MET 92 Cb 1.16 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 1mj2 h MET 92 CO 0.12 0.67 -0.25 0.00 1.06 0.00 0.00 176.91 178.51 1mj2 h ARG 93 N 1.04 -0.60 0.00 1.72 3.08 -0.90 0.32 114.38 119.04 1mj2 h ARG 93 Ca 0.28 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1mj2 h ARG 93 Cb -0.12 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1mj2 h ARG 93 CO -0.06 -0.40 0.23 -1.91 -1.07 0.00 0.00 179.97 176.75 1mj2 n GLU 94 N -3.88 0.05 -0.11 0.04 0.00 -0.98 0.58 120.64 116.33 1mj2 n GLU 94 Ca -0.08 0.44 0.12 0.00 0.00 0.00 0.00 57.16 57.64 1mj2 n GLU 94 Cb 0.26 -1.87 0.19 0.00 0.00 0.00 0.00 31.44 30.01 1mj2 n GLU 94 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1mj2 n MET 95 N -1.68 2.41 -0.01 5.31 1.56 -0.60 -4.95 117.12 119.15 1mj2 n MET 95 Ca -0.00 -2.09 0.00 0.00 -0.27 0.00 0.00 57.70 55.33 1mj2 n MET 95 Cb 0.24 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 34.11 1mj2 n MET 95 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1mj2 n GLY 96 N 1.43 1.41 3.68 -5.12 0.00 0.19 -5.03 105.19 101.76 1mj2 n GLY 96 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1mj2 n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mj2 s ILE 97 N -2.49 5.19 -0.35 -0.61 1.01 0.00 -4.98 121.20 118.97 1mj2 s ILE 97 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 1mj2 s ILE 97 Cb 0.00 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1mj2 s ILE 97 CO 0.00 0.26 1.19 0.21 0.00 0.00 0.00 174.94 176.60 1mj2 s ASN 98 N 0.98 6.75 0.19 3.58 2.47 -1.26 -2.76 114.94 124.89 1mj2 s ASN 98 Ca 0.20 0.99 -0.12 0.00 0.42 0.00 0.00 52.86 54.36 1mj2 s ASN 98 Cb -0.15 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.25 1mj2 s ASN 98 CO 0.08 -1.05 1.83 -0.65 -3.72 0.00 0.00 177.10 173.59 1mj2 h PRO 99 N 8.89 0.69 -0.11 0.43 0.11 -1.88 -2.93 132.00 137.21 1mj2 h PRO 99 Ca -0.23 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.86 1mj2 h PRO 99 Cb 1.08 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1mj2 h PRO 99 CO 1.05 0.46 0.19 0.93 -0.21 0.00 0.00 178.00 180.42 1mj2 h GLU 100 N 0.72 0.00 0.00 1.05 4.39 -1.96 -2.43 114.58 116.34 1mj2 h GLU 100 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1mj2 h GLU 100 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1mj2 h GLU 100 CO -0.11 0.00 -0.60 0.25 -1.16 0.00 0.00 179.01 177.40 1mj2 n THR 101 N -3.44 0.00 -2.04 1.13 -2.24 -1.14 -4.99 114.28 101.57 1mj2 n THR 101 Ca -0.00 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1mj2 n THR 101 Cb 0.29 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1mj2 n THR 101 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mj2 s TRP 102 N -2.13 2.03 0.04 4.78 -0.11 -0.92 -5.01 118.94 117.62 1mj2 s TRP 102 Ca 0.04 0.28 -0.17 0.00 1.22 0.00 0.00 56.10 57.46 1mj2 s TRP 102 Cb 0.09 -3.90 -0.06 0.00 -1.50 0.00 0.00 33.47 28.10 1mj2 s TRP 102 CO 0.48 -3.64 0.49 -2.00 -4.62 0.00 0.00 176.95 167.66 1mj2 s GLU 103 N 4.08 4.07 0.00 5.86 2.12 -1.26 -5.04 118.70 128.53 1mj2 s GLU 103 Ca 0.72 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.64 1mj2 s GLU 103 Cb -0.32 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1mj2 s GLU 103 CO 0.29 0.66 0.04 2.48 -0.54 0.00 0.00 175.26 178.19