#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mj2 s GLU 2 N 0.00 0.78 0.29 0.00 8.01 -1.26 -5.16 118.70 121.37 1mj2 s GLU 2 Ca 0.00 -0.70 0.08 0.00 0.01 0.00 0.00 54.97 54.36 1mj2 s GLU 2 Cb 0.00 0.33 -0.03 0.00 -4.31 0.00 0.00 34.13 30.11 1mj2 s GLU 2 CO 0.00 -0.25 0.20 -0.46 0.01 0.00 0.00 175.26 174.76 1mj2 s TRP 3 N -3.00 2.94 -0.89 1.61 -0.00 -1.26 -4.98 118.94 113.36 1mj2 s TRP 3 Ca -0.02 -0.22 0.26 0.00 -0.00 0.00 0.00 56.10 56.12 1mj2 s TRP 3 Cb 0.01 -1.53 0.64 0.00 -0.00 0.00 0.00 33.47 32.59 1mj2 s TRP 3 CO -0.06 0.40 1.53 -1.13 -0.00 0.00 0.00 176.95 177.69 1mj2 n SER 4 N -1.20 0.46 0.00 5.86 3.41 -1.26 -4.92 113.62 115.97 1mj2 n SER 4 Ca -0.05 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1mj2 n SER 4 Cb 0.59 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1mj2 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mj2 n GLY 5 N 1.45 0.92 2.61 5.00 0.00 -1.26 -4.92 105.19 108.99 1mj2 n GLY 5 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1mj2 n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mj2 n GLU 6 N -2.04 4.22 -1.47 1.61 1.02 -1.26 -4.79 120.64 117.92 1mj2 n GLU 6 Ca 0.00 -3.43 -0.54 0.00 -0.02 0.00 0.00 57.16 53.17 1mj2 n GLU 6 Cb 0.00 -2.74 -0.06 0.00 -0.02 0.00 0.00 31.44 28.62 1mj2 n GLU 6 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1mj2 n TYR 7 N 2.56 0.29 -4.00 -0.32 9.36 -1.26 -4.96 117.16 118.83 1mj2 n TYR 7 Ca 0.55 0.99 -0.31 0.00 3.32 0.00 0.00 57.90 62.45 1mj2 n TYR 7 Cb 0.29 -2.06 -0.16 0.00 -0.63 0.00 0.00 39.34 36.78 1mj2 n TYR 7 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1mj2 s ILE 8 N -0.39 1.73 0.19 2.97 1.01 -1.26 -4.92 121.20 120.53 1mj2 s ILE 8 Ca 0.79 -1.23 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 1mj2 s ILE 8 Cb -1.10 -1.88 -0.10 0.00 0.01 0.00 0.00 42.46 39.39 1mj2 s ILE 8 CO 0.56 0.04 1.57 -0.55 0.00 0.00 0.00 174.94 176.56 1mj2 s SER 9 N 1.33 6.55 0.00 3.58 0.15 -1.26 -4.88 113.70 119.16 1mj2 s SER 9 Ca -0.05 2.69 0.26 0.00 0.70 0.00 0.00 55.95 59.55 1mj2 s SER 9 Cb -0.18 -2.60 1.30 0.00 -1.71 0.00 0.00 66.02 62.83 1mj2 s SER 9 CO -0.07 -0.84 1.88 -2.65 1.20 0.00 0.00 173.24 172.77 1mj2 n PRO 10 N 3.59 0.34 -4.13 5.44 -0.02 -1.26 -4.85 135.00 134.12 1mj2 n PRO 10 Ca 0.13 0.04 -0.25 0.00 -2.02 0.00 0.00 63.50 61.39 1mj2 n PRO 10 Cb 0.38 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 1mj2 n PRO 10 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1mj2 s TYR 11 N -2.60 2.43 0.00 6.00 2.02 -1.26 -4.76 117.35 119.18 1mj2 s TYR 11 Ca 0.24 -0.64 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 1mj2 s TYR 11 Cb 0.17 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1mj2 s TYR 11 CO 0.40 0.10 -0.16 0.00 -1.57 0.00 0.00 175.55 174.32 1mj2 s ALA 12 N -2.64 2.63 -0.59 3.71 0.00 -1.26 -5.05 121.76 118.56 1mj2 s ALA 12 Ca 0.38 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1mj2 s ALA 12 Cb 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 1mj2 s ALA 12 CO 0.21 0.57 2.20 -1.21 0.00 0.00 0.00 175.76 177.53 1mj2 s GLU 13 N -1.14 2.24 0.29 0.00 2.02 -1.26 -4.82 118.70 116.03 1mj2 s GLU 13 Ca 0.13 0.92 -0.09 0.00 0.02 0.00 0.00 54.97 55.96 1mj2 s GLU 13 Cb -0.11 -4.58 -0.07 0.00 0.10 0.00 0.00 34.13 29.47 1mj2 s GLU 13 CO 0.03 -3.24 -0.12 1.58 0.02 0.00 0.00 175.26 173.53 1mj2 n HIS 14 N 15.06 -1.61 0.00 1.61 -0.00 -1.26 -1.80 115.22 127.22 1mj2 n HIS 14 Ca 0.33 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.69 1mj2 n HIS 14 Cb 0.52 -0.80 0.00 0.00 -0.12 0.00 0.00 29.99 29.59 1mj2 n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1mj2 n GLY 15 N 1.30 2.00 0.53 1.57 0.00 -1.26 -4.54 105.19 104.79 1mj2 n GLY 15 Ca 0.03 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 1.71 0.15 1.61 5.02 -0.74 -4.26 118.16 121.64 1mj2 n LYS 16 Ca 0.00 -1.05 -0.13 0.00 -2.02 0.00 0.00 58.31 55.10 1mj2 n LYS 16 Cb 0.00 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 1mj2 n LYS 16 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1mj2 h LYS 17 N 2.20 -0.39 0.00 1.97 1.57 -1.80 1.23 116.57 121.35 1mj2 h LYS 17 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1mj2 h LYS 17 Cb 0.48 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1mj2 h LYS 17 CO 0.00 -0.26 0.10 1.03 -0.57 0.00 0.00 179.45 179.75 1mj2 h SER 18 N -0.40 0.00 0.00 0.86 0.87 -1.83 0.69 113.55 113.73 1mj2 h SER 18 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1mj2 h SER 18 Cb 0.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1mj2 h SER 18 CO -0.03 0.00 -0.49 -0.33 -0.53 0.00 0.00 176.83 175.45 1mj2 h GLU 19 N 0.00 0.00 -0.14 2.24 4.39 -0.57 -3.42 114.58 117.08 1mj2 h GLU 19 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1mj2 h GLU 19 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1mj2 h GLU 19 CO 0.00 0.28 0.00 1.04 -1.16 0.00 0.00 179.01 179.17 1mj2 n GLN 20 N -4.62 2.22 -4.72 2.33 6.02 0.38 -4.96 117.38 114.04 1mj2 n GLN 20 Ca -0.10 -1.97 -0.32 0.00 -0.01 0.00 0.00 57.00 54.60 1mj2 n GLN 20 Cb 0.30 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.72 3.11 0.12 5.09 1.01 0.24 -5.00 120.40 123.24 1mj2 s VAL 21 Ca 0.30 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1mj2 s VAL 21 Cb 0.20 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1mj2 s VAL 21 CO 0.29 0.47 -0.15 -0.75 0.00 0.00 0.00 175.10 174.95 1mj2 s LYS 22 N -1.11 1.03 -0.18 2.72 2.20 -1.26 -4.68 119.74 118.46 1mj2 s LYS 22 Ca 0.14 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.48 1mj2 s LYS 22 Cb -0.11 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 35.18 1mj2 s LYS 22 CO 0.04 0.20 0.03 0.15 -0.36 0.00 0.00 175.35 175.41 1mj2 s LYS 23 N -2.45 3.87 0.13 4.03 1.02 -1.26 -5.09 119.74 119.99 1mj2 s LYS 23 Ca 0.08 -0.40 0.09 0.00 0.02 0.00 0.00 55.97 55.75 1mj2 s LYS 23 Cb -0.06 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1mj2 s LYS 23 CO 0.03 0.24 -0.20 0.96 -0.92 0.00 0.00 175.35 175.46 1mj2 s ILE 24 N 0.43 1.81 -0.29 2.17 -4.36 -1.26 -5.10 121.20 114.60 1mj2 s ILE 24 Ca 0.01 -1.71 -0.22 0.00 -0.26 0.00 0.00 60.65 58.46 1mj2 s ILE 24 Cb -0.13 -1.71 -0.00 0.00 1.25 0.00 0.00 42.46 41.86 1mj2 s ILE 24 CO 0.01 -0.15 0.74 -0.89 0.24 0.00 0.00 174.94 174.89 1mj2 s THR 25 N -1.50 4.85 -0.15 8.37 2.01 -1.26 -5.03 115.64 122.92 1mj2 s THR 25 Ca 0.11 1.14 -0.03 0.00 0.31 0.00 0.00 61.69 63.23 1mj2 s THR 25 Cb -0.08 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 1mj2 s THR 25 CO 0.05 -0.17 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.06 1mj2 s VAL 26 N 2.81 3.63 -0.16 3.82 1.01 -1.26 -5.08 120.40 125.17 1mj2 s VAL 26 Ca 0.30 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 1mj2 s VAL 26 Cb -0.15 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1mj2 s VAL 26 CO 0.11 0.49 0.62 -0.44 0.00 0.00 0.00 175.10 175.89 1mj2 s SER 27 N 0.47 6.75 -0.02 3.32 0.01 -1.26 -5.05 113.70 117.92 1mj2 s SER 27 Ca -0.05 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1mj2 s SER 27 Cb -0.15 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.75 1mj2 s SER 27 CO 0.03 -0.20 0.01 -0.51 0.41 0.00 0.00 173.24 172.98 1mj2 s ILE 28 N 1.50 0.05 0.41 1.44 2.07 -1.26 -5.13 121.20 120.29 1mj2 s ILE 28 Ca 0.30 0.10 -0.27 0.00 -1.41 0.00 0.00 60.65 59.37 1mj2 s ILE 28 Cb -0.16 -0.13 -0.10 0.00 0.13 0.00 0.00 42.46 42.20 1mj2 s ILE 28 CO 0.12 0.08 1.46 -2.84 -1.91 0.00 0.00 174.94 171.85 1mj2 s PRO 29 N 0.71 3.89 0.23 3.50 0.02 -1.26 -4.77 135.00 137.32 1mj2 s PRO 29 Ca -0.06 2.51 -0.06 0.00 0.02 0.00 0.00 61.00 63.40 1mj2 s PRO 29 Cb -0.09 -2.81 0.37 0.00 0.02 0.00 0.00 34.50 31.98 1mj2 s PRO 29 CO -0.02 -0.68 1.78 -0.07 -0.33 0.00 0.00 177.00 177.68 1mj2 h LEU 30 N 2.66 0.50 -0.39 -5.54 3.38 -2.00 -0.59 115.31 113.32 1mj2 h LEU 30 Ca -0.51 0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.60 1mj2 h LEU 30 Cb 1.25 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 1mj2 h LEU 30 CO 0.63 0.27 -0.40 0.11 0.09 0.00 0.00 178.44 179.14 1mj2 h LYS 31 N 0.63 -0.30 -0.23 1.13 1.79 -2.01 -0.67 116.57 116.92 1mj2 h LYS 31 Ca 0.37 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1mj2 h LYS 31 Cb 0.40 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1mj2 h LYS 31 CO -0.28 -0.20 0.15 0.28 -1.08 0.00 0.00 179.45 178.32 1mj2 h VAL 32 N -0.31 1.07 -0.96 0.50 2.07 -1.76 -2.68 116.25 114.18 1mj2 h VAL 32 Ca 0.15 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1mj2 h VAL 32 Cb 0.57 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 1mj2 h VAL 32 CO -0.56 0.07 0.59 0.25 0.02 0.00 0.00 177.57 177.94 1mj2 h LEU 33 N 0.30 0.85 0.37 2.57 5.85 -0.31 0.20 115.31 125.13 1mj2 h LEU 33 Ca 0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1mj2 h LEU 33 Cb -0.01 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1mj2 h LEU 33 CO -0.02 0.44 -0.18 0.50 -0.34 0.00 0.00 178.44 178.85 1mj2 h LYS 34 N 0.92 -0.48 -0.78 1.25 3.64 -0.96 0.50 116.57 120.66 1mj2 h LYS 34 Ca 0.48 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 60.03 1mj2 h LYS 34 Cb 0.50 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1mj2 h LYS 34 CO -0.27 -0.18 0.51 0.82 -2.27 0.00 0.00 179.45 178.06 1mj2 h ILE 35 N -0.76 0.83 0.14 2.00 2.04 -1.10 0.18 117.51 120.83 1mj2 h ILE 35 Ca -0.05 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1mj2 h ILE 35 Cb 0.52 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1mj2 h ILE 35 CO 0.08 0.09 -0.07 0.25 0.00 0.00 0.00 178.15 178.51 1mj2 h LEU 36 N 0.51 -0.16 -1.71 1.44 5.85 -0.38 -2.87 115.31 117.99 1mj2 h LEU 36 Ca 0.38 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1mj2 h LEU 36 Cb 0.76 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1mj2 h LEU 36 CO -0.14 0.39 0.28 0.74 -0.34 0.00 0.00 178.44 179.38 1mj2 h THR 37 N -0.81 0.98 -0.17 1.05 2.02 0.62 -1.18 112.91 115.43 1mj2 h THR 37 Ca -0.02 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1mj2 h THR 37 Cb 0.54 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1mj2 h THR 37 CO 0.03 0.07 -0.28 0.44 0.37 0.00 0.00 175.52 176.15 1mj2 h ASP 38 N 0.37 0.54 -0.53 4.18 3.32 -0.73 0.00 116.42 123.57 1mj2 h ASP 38 Ca 0.18 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1mj2 h ASP 38 Cb 0.26 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1mj2 h ASP 38 CO -0.04 0.97 0.27 -0.08 -1.72 0.00 0.00 179.24 178.64 1mj2 h GLU 39 N 0.13 0.78 -0.44 3.56 4.57 -1.15 0.46 114.58 122.48 1mj2 h GLU 39 Ca 0.01 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1mj2 h GLU 39 Cb 0.86 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1mj2 h GLU 39 CO 0.06 0.60 0.16 -0.09 -1.18 0.00 0.00 179.01 178.56 1mj2 h ARG 40 N 0.78 0.67 -0.65 1.92 2.43 -0.99 -0.34 114.38 118.20 1mj2 h ARG 40 Ca 0.20 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1mj2 h ARG 40 Cb 0.07 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1mj2 h ARG 40 CO -0.03 0.63 0.36 1.15 -1.51 0.00 0.00 179.97 180.57 1mj2 h THR 41 N 0.57 1.20 -0.83 0.20 2.02 0.53 -0.65 112.91 115.95 1mj2 h THR 41 Ca 0.14 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1mj2 h THR 41 Cb 0.22 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1mj2 h THR 41 CO -0.01 0.22 0.48 -0.09 0.37 0.00 0.00 175.52 176.49 1mj2 h ARG 42 N 0.88 1.14 -0.34 6.66 2.43 0.29 0.43 114.38 125.88 1mj2 h ARG 42 Ca 0.23 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1mj2 h ARG 42 Cb 0.03 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1mj2 h ARG 42 CO -0.04 0.82 0.10 0.00 -1.51 0.00 0.00 179.97 179.34 1mj2 h ARG 43 N 1.15 0.53 -0.37 0.20 3.08 -0.70 -1.99 114.38 116.27 1mj2 h ARG 43 Ca 0.30 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1mj2 h ARG 43 Cb -0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1mj2 h ARG 43 CO -0.05 0.56 0.13 0.87 -1.07 0.00 0.00 179.97 180.42 1mj2 h LYS 44 N 0.39 0.28 0.57 0.04 1.57 -0.36 0.16 116.57 119.23 1mj2 h LYS 44 Ca 0.11 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1mj2 h LYS 44 Cb 0.26 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1mj2 h LYS 44 CO -0.00 0.19 -0.37 0.28 -0.57 0.00 0.00 179.45 178.97 1mj2 h VAL 45 N 0.29 0.00 0.00 0.50 2.07 -0.03 -2.41 116.25 116.67 1mj2 h VAL 45 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1mj2 h VAL 45 Cb 0.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1mj2 h VAL 45 CO -0.17 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.01 1mj2 n ASN 46 N -4.71 0.33 -4.20 0.57 4.13 -0.76 -4.82 115.26 105.81 1mj2 n ASN 46 Ca -0.11 -1.02 -0.36 0.00 1.68 0.00 0.00 54.58 54.78 1mj2 n ASN 46 Cb 0.37 -0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.42 1mj2 n ASN 46 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1mj2 n ASN 47 N -0.01 -3.31 -4.91 6.41 2.85 -0.71 -4.95 115.26 110.63 1mj2 n ASN 47 Ca 0.00 -1.00 -0.27 0.00 -0.11 0.00 0.00 54.58 53.20 1mj2 n ASN 47 Cb 0.08 -2.84 0.01 0.00 1.24 0.00 0.00 39.78 38.27 1mj2 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1mj2 s LEU 48 N -7.26 3.55 0.80 1.20 1.43 0.49 -4.96 118.68 113.93 1mj2 s LEU 48 Ca 0.71 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 1mj2 s LEU 48 Cb -0.39 -3.79 0.07 0.00 0.03 0.00 0.00 46.19 42.12 1mj2 s LEU 48 CO 0.92 -0.68 1.16 -0.13 0.23 0.00 0.00 176.35 177.85 1mj2 s ARG 49 N -4.78 2.03 -1.35 1.70 0.52 -1.20 -4.29 118.95 111.58 1mj2 s ARG 49 Ca 0.49 0.10 -0.05 0.00 -0.52 0.00 0.00 55.73 55.76 1mj2 s ARG 49 Cb -0.10 -1.97 0.02 0.00 0.52 0.00 0.00 34.95 33.42 1mj2 s ARG 49 CO 0.45 -1.54 0.89 0.72 0.02 0.00 0.00 175.30 175.83 1mj2 n HIS 50 N -3.27 -2.19 -2.19 -0.53 8.25 -1.26 -4.89 115.22 109.13 1mj2 n HIS 50 Ca 0.08 0.90 -0.41 0.00 -0.26 0.00 0.00 57.72 58.03 1mj2 n HIS 50 Cb 0.61 -4.52 0.00 0.00 1.12 0.00 0.00 29.99 27.20 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 -4.45 6.14 -3.00 -1.41 0.00 -1.26 -4.59 120.51 111.95 1mj2 n ALA 51 Ca -0.18 -4.23 -0.10 0.00 0.00 0.00 0.00 53.44 48.94 1mj2 n ALA 51 Cb 0.62 -2.82 -0.11 0.00 0.00 0.00 0.00 19.45 17.14 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 -0.69 0.09 0.34 0.00 -4.23 -1.26 -4.83 115.64 105.07 1mj2 s THR 52 Ca 0.47 -0.79 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 1mj2 s THR 52 Cb 0.14 -0.27 0.13 0.00 1.34 0.00 0.00 72.50 73.84 1mj2 s THR 52 CO -0.05 -0.43 1.85 0.78 -0.54 0.00 0.00 174.62 176.23 1mj2 h ASN 53 N 4.71 0.37 -0.18 3.99 2.35 -1.91 -1.33 115.58 123.59 1mj2 h ASN 53 Ca -0.31 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 1mj2 h ASN 53 Cb 1.21 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1mj2 h ASN 53 CO 0.42 0.53 0.08 0.28 -1.65 0.00 0.00 177.43 177.09 1mj2 h SER 54 N 0.36 0.24 -0.17 5.81 0.02 -1.96 -0.83 113.55 117.03 1mj2 h SER 54 Ca 0.07 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1mj2 h SER 54 Cb 0.44 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1mj2 h SER 54 CO 0.03 0.30 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.40 1mj2 h GLU 55 N 0.16 0.65 -0.70 3.45 5.08 -1.81 -1.35 114.58 120.05 1mj2 h GLU 55 Ca 0.06 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1mj2 h GLU 55 Cb 0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1mj2 h GLU 55 CO -0.01 0.87 0.20 -0.07 -1.00 0.00 0.00 179.01 179.00 1mj2 h LEU 56 N 0.56 1.03 -0.29 1.33 3.38 -1.07 -0.69 115.31 119.55 1mj2 h LEU 56 Ca 0.07 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 1mj2 h LEU 56 Cb 0.78 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1mj2 h LEU 56 CO 0.06 0.97 -0.51 -0.07 0.09 0.00 0.00 178.44 178.98 1mj2 h LEU 57 N 1.05 0.95 -0.59 1.67 3.38 -0.90 -1.50 115.31 119.37 1mj2 h LEU 57 Ca 0.23 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1mj2 h LEU 57 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1mj2 h LEU 57 CO -0.00 1.30 0.06 0.00 0.09 0.00 0.00 178.44 179.88 1mj2 h GLU 59 N 0.89 -0.14 -0.86 0.00 5.08 -1.12 -2.40 114.58 116.02 1mj2 h GLU 59 Ca 0.17 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1mj2 h GLU 59 Cb 0.48 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1mj2 h GLU 59 CO 0.02 0.03 0.56 0.00 -1.00 0.00 0.00 179.01 178.62 1mj2 h ALA 60 N 0.58 1.10 -0.31 3.43 0.00 -1.14 -1.63 119.26 121.28 1mj2 h ALA 60 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mj2 h ALA 60 Cb 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mj2 h ALA 60 CO 0.03 0.51 0.15 0.35 0.00 0.00 0.00 179.25 180.29 1mj2 h PHE 61 N 1.17 0.45 -0.17 0.00 3.57 -0.75 -0.72 116.94 120.49 1mj2 h PHE 61 Ca 0.32 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1mj2 h PHE 61 Cb -0.12 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1mj2 h PHE 61 CO -0.01 0.39 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.17 1mj2 h LEU 62 N 0.37 0.29 0.34 0.59 3.38 -1.20 0.62 115.31 119.70 1mj2 h LEU 62 Ca 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1mj2 h LEU 62 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1mj2 h LEU 62 CO -0.01 0.52 -0.16 -0.74 0.09 0.00 0.00 178.44 178.14 1mj2 h HIS 63 N 0.27 -0.43 -0.43 1.13 2.76 -1.02 0.27 115.15 117.70 1mj2 h HIS 63 Ca 0.04 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1mj2 h HIS 63 Cb 0.55 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.61 1mj2 h HIS 63 CO 0.01 -0.16 0.20 0.00 -1.30 0.00 0.00 177.93 176.68 1mj2 h ALA 64 N -0.05 0.53 0.22 5.26 0.00 -0.84 0.75 119.26 125.14 1mj2 h ALA 64 Ca -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mj2 h ALA 64 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mj2 h ALA 64 CO 0.08 -0.16 -0.11 0.35 0.00 0.00 0.00 179.25 179.41 1mj2 h PHE 65 N 0.41 -0.28 0.00 0.00 3.57 -0.83 -3.37 116.94 116.45 1mj2 h PHE 65 Ca 0.19 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1mj2 h PHE 65 Cb 0.11 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1mj2 h PHE 65 CO -0.11 0.10 -1.32 0.25 -2.23 0.00 0.00 178.31 175.00 1mj2 n THR 66 N -5.03 0.44 -0.32 4.41 -2.24 0.08 -4.96 114.28 106.66 1mj2 n THR 66 Ca -0.09 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1mj2 n THR 66 Cb 0.26 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1mj2 n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mj2 n GLY 67 N 1.21 1.02 3.75 3.38 0.00 0.26 -4.51 105.19 110.30 1mj2 n GLY 67 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.50 3.27 0.56 1.61 -2.07 -1.24 -4.82 119.66 116.47 1mj2 s GLN 68 Ca 0.00 2.30 -0.21 0.00 -1.82 0.00 0.00 55.36 55.63 1mj2 s GLN 68 Cb 0.00 -2.36 -0.04 0.00 -1.09 0.00 0.00 33.01 29.51 1mj2 s GLN 68 CO 0.00 -1.10 1.36 -2.14 -1.32 0.00 0.00 175.29 172.08 1mj2 s PRO 69 N -2.79 3.08 0.29 9.60 0.02 -1.26 -4.28 135.00 139.67 1mj2 s PRO 69 Ca 0.69 2.23 -0.09 0.00 0.02 0.00 0.00 61.00 63.85 1mj2 s PRO 69 Cb -0.42 -2.22 -0.07 0.00 0.02 0.00 0.00 34.50 31.81 1mj2 s PRO 69 CO 0.50 -1.24 0.62 -0.51 -0.33 0.00 0.00 177.00 176.04 1mj2 s LEU 70 N -3.60 4.06 0.36 -5.54 1.43 -1.26 -4.87 118.68 109.25 1mj2 s LEU 70 Ca 0.73 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 1mj2 s LEU 70 Cb -0.40 -3.76 -0.09 0.00 0.03 0.00 0.00 46.19 41.97 1mj2 s LEU 70 CO 0.47 -0.19 1.05 -2.16 0.23 0.00 0.00 176.35 175.76 1mj2 s PRO 71 N -3.24 4.33 0.41 1.29 0.04 -1.26 -4.95 135.00 131.61 1mj2 s PRO 71 Ca 0.48 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1mj2 s PRO 71 Cb -0.11 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1mj2 s PRO 71 CO 0.25 -0.00 0.57 0.16 0.04 0.00 0.00 177.00 178.02 1mj2 s ASP 72 N -1.39 5.77 0.51 6.66 1.47 -1.26 -4.92 116.67 123.52 1mj2 s ASP 72 Ca 0.53 -0.14 0.29 0.00 1.18 0.00 0.00 52.55 54.42 1mj2 s ASP 72 Cb -0.24 -1.09 1.40 0.00 -0.34 0.00 0.00 42.92 42.65 1mj2 s ASP 72 CO 0.31 -0.66 1.86 0.44 0.68 0.00 0.00 175.17 177.80 1mj2 h ASP 73 N 0.63 0.10 -0.63 2.11 3.32 -1.97 0.45 116.42 120.44 1mj2 h ASP 73 Ca -0.44 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 1mj2 h ASP 73 Cb 1.27 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1mj2 h ASP 73 CO 0.51 0.03 0.02 0.00 -1.72 0.00 0.00 179.24 178.08 1mj2 h ALA 74 N 1.54 0.84 -0.30 3.45 0.00 -2.03 -2.49 119.26 120.27 1mj2 h ALA 74 Ca 0.47 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1mj2 h ALA 74 Cb 1.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1mj2 h ALA 74 CO -0.06 0.67 -0.12 -0.44 0.00 0.00 0.00 179.25 179.30 1mj2 h ASP 75 N 1.00 0.49 -0.62 0.00 3.32 -0.49 -3.31 116.42 116.81 1mj2 h ASP 75 Ca 0.18 -0.13 -0.72 0.00 0.02 0.00 0.00 57.03 56.38 1mj2 h ASP 75 Cb 0.55 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.88 1mj2 h ASP 75 CO 0.03 0.65 2.59 0.18 -1.72 0.00 0.00 179.24 180.97 1mj2 n LEU 76 N -4.20 6.37 0.00 1.55 4.77 -0.69 -2.63 117.00 122.16 1mj2 n LEU 76 Ca 0.01 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.74 1mj2 n LEU 76 Cb 0.32 -1.63 0.00 0.00 -2.33 0.00 0.00 43.42 39.78 1mj2 n LEU 76 CO 0.40 0.98 0.00 0.54 -1.33 0.00 0.00 177.39 177.98 1mj2 n ARG 77 N 5.95 0.00 -3.91 3.23 1.74 -1.25 -3.21 116.66 119.21 1mj2 n ARG 77 Ca 0.48 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.25 1mj2 n ARG 77 Cb 0.40 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.00 3.45 0.55 5.56 1.02 -1.08 -5.04 119.74 124.20 1mj2 s LYS 78 Ca 0.00 -0.45 -0.09 0.00 0.02 0.00 0.00 55.97 55.45 1mj2 s LYS 78 Cb 0.00 -3.02 0.14 0.00 -0.52 0.00 0.00 37.83 34.43 1mj2 s LYS 78 CO 0.00 0.59 0.39 -0.85 -0.92 0.00 0.00 175.35 174.56 1mj2 n GLU 79 N 0.15 -2.56 0.00 1.68 0.00 -1.26 -4.72 120.64 113.93 1mj2 n GLU 79 Ca -0.05 -0.64 0.13 0.00 0.00 0.00 0.00 57.16 56.60 1mj2 n GLU 79 Cb 0.51 -0.71 0.45 0.00 0.00 0.00 0.00 31.44 31.69 1mj2 n GLU 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1mj2 n ARG 80 N -3.22 0.02 0.09 3.44 3.00 -1.26 -1.49 116.66 117.23 1mj2 n ARG 80 Ca 0.06 0.01 0.12 0.00 -0.00 0.00 0.00 57.85 58.04 1mj2 n ARG 80 Cb 0.24 -1.51 0.16 0.00 0.00 0.00 0.00 32.46 31.35 1mj2 n ARG 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1mj2 h SER 81 N 0.00 0.00 -1.15 6.15 4.64 -2.03 -3.34 113.55 117.83 1mj2 h SER 81 Ca 0.00 -0.13 -0.40 0.00 -0.47 0.00 0.00 61.79 60.79 1mj2 h SER 81 Cb 0.51 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.20 1mj2 h SER 81 CO 0.00 0.07 -1.14 -0.67 -0.87 0.00 0.00 176.83 174.22 1mj2 n ASP 82 N -2.32 1.80 0.02 4.97 2.03 -1.13 -4.90 116.55 117.02 1mj2 n ASP 82 Ca 0.03 -2.86 -0.14 0.00 0.52 0.00 0.00 54.79 52.34 1mj2 n ASP 82 Cb 0.47 -0.53 -0.14 0.00 -0.72 0.00 0.00 41.12 40.20 1mj2 n ASP 82 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1mj2 h GLU 83 N 2.95 0.14 -6.45 -0.67 4.11 -1.39 -3.37 114.58 109.90 1mj2 h GLU 83 Ca -0.04 -0.24 -0.60 0.00 0.07 0.00 0.00 59.36 58.55 1mj2 h GLU 83 Cb 1.13 0.09 0.06 0.00 0.50 0.00 0.00 28.75 30.52 1mj2 h GLU 83 CO 0.54 0.89 0.74 -0.89 0.07 0.00 0.00 179.01 180.37 1mj2 n ILE 84 N -3.30 0.02 -1.69 -1.06 5.41 -1.26 -4.87 119.36 112.60 1mj2 n ILE 84 Ca -0.18 -0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.14 1mj2 n ILE 84 Cb 1.04 -1.40 -0.01 0.00 -0.71 0.00 0.00 39.64 38.56 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 3.33 2.10 -0.31 0.38 -0.02 -1.26 -4.66 135.00 134.56 1mj2 n PRO 85 Ca 0.17 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.50 1mj2 n PRO 85 Cb 0.27 -2.31 0.34 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.61 0.75 -0.13 -0.52 4.39 -1.95 0.39 114.58 120.12 1mj2 h GLU 86 Ca -0.46 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.12 1mj2 h GLU 86 Cb 1.28 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1mj2 h GLU 86 CO 0.63 0.50 -0.26 0.00 -1.16 0.00 0.00 179.01 178.72 1mj2 h ALA 87 N 1.59 1.33 0.02 3.43 0.00 -1.95 -0.85 119.26 122.82 1mj2 h ALA 87 Ca 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mj2 h ALA 87 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1mj2 h ALA 87 CO -0.25 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 1mj2 h ALA 88 N 1.53 -0.02 -0.98 0.00 0.00 -0.99 -2.46 119.26 116.33 1mj2 h ALA 88 Ca 0.03 -0.35 0.21 0.00 0.00 0.00 0.00 54.91 54.81 1mj2 h ALA 88 Cb 0.57 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1mj2 h ALA 88 CO 0.04 -0.15 0.62 0.87 0.00 0.00 0.00 179.25 180.63 1mj2 h LYS 89 N -0.75 0.54 -0.12 0.00 1.57 -0.16 0.14 116.57 117.78 1mj2 h LYS 89 Ca -0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1mj2 h LYS 89 Cb 0.70 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1mj2 h LYS 89 CO 0.00 0.36 -0.35 1.49 -0.57 0.00 0.00 179.45 180.37 1mj2 h GLU 90 N 0.55 0.45 -0.85 3.15 4.57 -1.17 -1.38 114.58 119.90 1mj2 h GLU 90 Ca 0.54 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1mj2 h GLU 90 Cb 1.13 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 1mj2 h GLU 90 CO -0.29 0.95 0.41 0.82 -1.18 0.00 0.00 179.01 179.71 1mj2 h ILE 91 N 0.04 1.26 -0.32 2.32 2.04 -0.67 -0.32 117.51 121.86 1mj2 h ILE 91 Ca -0.01 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1mj2 h ILE 91 Cb 0.97 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1mj2 h ILE 91 CO 0.08 0.32 0.17 0.24 0.00 0.00 0.00 178.15 178.96 1mj2 h MET 92 N 1.21 0.44 -0.58 2.37 2.86 -0.78 -2.41 114.93 118.04 1mj2 h MET 92 Ca 0.29 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1mj2 h MET 92 Cb 0.12 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1mj2 h MET 92 CO -0.04 0.38 0.38 0.00 1.06 0.00 0.00 176.91 178.69 1mj2 h ARG 93 N 0.39 0.76 0.00 1.72 3.08 -0.74 0.10 114.38 119.70 1mj2 h ARG 93 Ca 0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1mj2 h ARG 93 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1mj2 h ARG 93 CO -0.02 0.50 0.00 0.39 -1.07 0.00 0.00 179.97 179.77 1mj2 n GLU 94 N -4.69 0.57 0.00 0.04 -0.58 -0.18 -2.34 120.64 113.46 1mj2 n GLU 94 Ca 0.04 0.02 0.06 0.00 -0.42 0.00 0.00 57.16 56.87 1mj2 n GLU 94 Cb 0.03 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.41 1mj2 n GLU 94 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1mj2 n MET 95 N -1.07 1.61 -0.27 3.49 2.81 -0.56 -4.96 117.12 118.16 1mj2 n MET 95 Ca 0.14 -0.85 0.00 0.00 -1.81 0.00 0.00 57.70 55.18 1mj2 n MET 95 Cb 0.09 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1mj2 n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mj2 n GLY 96 N 0.92 0.74 3.53 3.03 0.00 -0.99 -5.04 105.19 107.38 1mj2 n GLY 96 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 5.16 -0.39 -0.61 1.01 0.26 -5.01 121.20 119.33 1mj2 s ILE 97 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 1mj2 s ILE 97 Cb 0.00 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1mj2 s ILE 97 CO 0.00 0.09 1.27 0.21 0.00 0.00 0.00 174.94 176.51 1mj2 s ASN 98 N 1.71 6.57 0.01 3.58 3.84 -1.26 -2.66 114.94 126.73 1mj2 s ASN 98 Ca 0.06 0.86 0.17 0.00 0.21 0.00 0.00 52.86 54.16 1mj2 s ASN 98 Cb -0.17 -2.54 0.72 0.00 -0.55 0.00 0.00 41.25 38.71 1mj2 s ASN 98 CO 0.10 -1.23 1.54 -0.81 -2.79 0.00 0.00 177.10 173.91 1mj2 n PRO 99 N 7.68 0.01 0.12 0.43 -0.04 -1.26 -2.39 135.00 139.54 1mj2 n PRO 99 Ca 0.14 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.59 1mj2 n PRO 99 Cb 0.48 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 1mj2 n PRO 99 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mj2 h GLU 100 N 0.00 0.45 -0.44 0.54 4.39 -1.95 -3.33 114.58 114.24 1mj2 h GLU 100 Ca 0.00 -0.78 0.00 0.00 0.34 0.00 0.00 59.36 58.92 1mj2 h GLU 100 Cb 0.29 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1mj2 h GLU 100 CO 0.00 1.36 0.00 0.25 -1.16 0.00 0.00 179.01 179.46 1mj2 n THR 101 N -3.64 2.06 -2.63 1.13 -2.24 -1.18 -4.96 114.28 102.81 1mj2 n THR 101 Ca -0.18 -1.47 -0.42 0.00 -2.27 0.00 0.00 64.05 59.71 1mj2 n THR 101 Cb 1.09 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.26 3.65 0.04 4.78 -0.11 -1.01 -5.02 118.94 119.00 1mj2 s TRP 102 Ca 0.44 1.63 -0.16 0.00 1.22 0.00 0.00 56.10 59.23 1mj2 s TRP 102 Cb 0.32 -3.18 -0.06 0.00 -1.50 0.00 0.00 33.47 29.04 1mj2 s TRP 102 CO 0.16 -0.28 0.47 -2.00 -4.62 0.00 0.00 176.95 170.67 1mj2 s GLU 103 N 0.59 4.00 0.00 5.86 2.12 -1.26 -5.03 118.70 124.99 1mj2 s GLU 103 Ca 0.52 0.51 0.00 0.00 0.36 0.00 0.00 54.97 56.36 1mj2 s GLU 103 Cb -0.24 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1mj2 s GLU 103 CO 0.30 0.66 0.00 2.48 -0.54 0.00 0.00 175.26 178.15