#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmg s HIS 2 N 0.00 2.58 -0.12 0.00 4.02 -1.26 -5.13 115.29 115.38 2gmg s HIS 2 Ca 0.00 -0.69 0.02 0.00 1.02 0.00 0.00 55.06 55.41 2gmg s HIS 2 Cb 0.00 -1.68 0.01 0.00 -1.02 0.00 0.00 32.58 29.90 2gmg s HIS 2 CO 0.00 -0.20 -0.19 -3.38 1.02 0.00 0.00 174.74 171.99 2gmg s HIS 3 N -0.03 2.33 -0.09 1.40 0.00 -1.26 -5.13 115.29 112.51 2gmg s HIS 3 Ca -0.06 -1.15 0.02 0.00 -3.00 0.00 0.00 55.06 50.88 2gmg s HIS 3 Cb -0.15 -1.63 0.01 0.00 -4.00 0.00 0.00 32.58 26.82 2gmg s HIS 3 CO 0.05 -0.55 -0.16 -1.01 -1.00 0.00 0.00 174.74 172.07 2gmg s HIS 4 N 0.91 1.91 0.01 0.38 4.02 -1.26 -5.02 115.29 116.24 2gmg s HIS 4 Ca -0.07 -0.81 -0.00 0.00 1.02 0.00 0.00 55.06 55.20 2gmg s HIS 4 Cb -0.15 -1.36 -0.00 0.00 -1.02 0.00 0.00 32.58 30.05 2gmg s HIS 4 CO -0.02 -0.39 -0.01 0.72 1.02 0.00 0.00 174.74 176.06 2gmg n HIS 5 N 3.93 0.00 -4.19 1.40 8.25 -1.26 -5.11 115.22 118.24 2gmg n HIS 5 Ca -0.20 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.06 2gmg n HIS 5 Cb 0.52 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 2gmg n HIS 5 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2gmg s HIS 6 N -2.01 1.33 -0.19 4.41 0.09 -1.26 -5.08 115.29 112.57 2gmg s HIS 6 Ca -0.01 -0.45 -0.13 0.00 -0.00 0.00 0.00 55.06 54.47 2gmg s HIS 6 Cb 0.00 -0.74 -0.20 0.00 -0.00 0.00 0.00 32.58 31.64 2gmg s HIS 6 CO 0.01 0.09 0.14 0.72 -0.00 0.00 0.00 174.74 175.69 2gmg n HIS 7 N 1.23 0.85 0.00 1.40 -0.00 -1.26 -5.06 115.22 112.38 2gmg n HIS 7 Ca -0.21 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2gmg n HIS 7 Cb 0.54 -1.10 0.00 0.00 -0.00 0.00 0.00 29.99 29.43 2gmg n HIS 7 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gmg n GLY 8 N 1.68 0.71 0.14 -1.41 0.00 -1.26 -4.49 105.19 100.56 2gmg n GLY 8 Ca -0.37 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.00 2gmg n GLY 8 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gmg h SER 9 N 0.00 0.00 0.22 1.61 0.02 -2.00 -3.19 113.55 110.21 2gmg h SER 9 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2gmg h SER 9 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2gmg h SER 9 CO 0.00 0.28 -0.52 0.00 -1.14 0.00 0.00 176.83 175.45 2gmg h ALA 10 N 1.72 0.89 0.17 3.77 0.00 -2.01 -2.60 119.26 121.19 2gmg h ALA 10 Ca -0.04 -0.49 -0.33 0.00 0.00 0.00 0.00 54.91 54.05 2gmg h ALA 10 Cb 1.25 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2gmg h ALA 10 CO 0.03 0.68 -1.63 1.79 0.00 0.00 0.00 179.25 180.12 2gmg h THR 11 N 0.26 1.07 -0.71 0.00 1.35 -1.90 -3.05 112.91 109.93 2gmg h THR 11 Ca 0.01 -2.66 -0.05 0.00 -0.55 0.00 0.00 66.41 63.16 2gmg h THR 11 Cb 1.01 2.80 -0.03 0.00 -1.73 0.00 0.00 68.15 70.20 2gmg h THR 11 CO 0.09 0.84 0.26 0.03 -0.25 0.00 0.00 175.52 176.48 2gmg h ARG 12 N 0.10 1.08 -0.29 4.72 3.08 -1.61 0.61 114.38 122.07 2gmg h ARG 12 Ca -0.29 -0.21 -0.17 0.00 0.07 0.00 0.00 59.98 59.37 2gmg h ARG 12 Cb 2.08 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.96 2gmg h ARG 12 CO 0.18 0.91 -0.51 0.00 -1.07 0.00 0.00 179.97 179.48 2gmg h ARG 13 N 1.03 0.83 -0.27 0.04 3.08 -1.62 -2.60 114.38 114.87 2gmg h ARG 13 Ca 0.23 -0.50 -0.08 0.00 0.07 0.00 0.00 59.98 59.70 2gmg h ARG 13 Cb 0.25 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2gmg h ARG 13 CO -0.01 1.14 -0.16 0.93 -1.07 0.00 0.00 179.97 180.80 2gmg h GLU 14 N 0.65 0.48 -0.08 0.04 5.08 -1.40 -2.80 114.58 116.55 2gmg h GLU 14 Ca 0.03 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2gmg h GLU 14 Cb 1.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2gmg h GLU 14 CO 0.11 0.62 -0.39 0.87 -1.00 0.00 0.00 179.01 179.23 2gmg h LYS 15 N 0.44 0.16 -0.30 2.33 1.57 -0.63 -3.06 116.57 117.09 2gmg h LYS 15 Ca 0.08 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2gmg h LYS 15 Cb 0.53 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2gmg h LYS 15 CO 0.03 0.53 0.03 0.82 -0.57 0.00 0.00 179.45 180.30 2gmg h ILE 16 N 0.14 1.24 0.00 1.86 2.04 -1.20 -2.73 117.51 118.87 2gmg h ILE 16 Ca 0.01 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2gmg h ILE 16 Cb 0.75 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2gmg h ILE 16 CO 0.06 0.27 0.00 2.30 0.00 0.00 0.00 178.15 180.78 2gmg n ILE 17 N -4.62 0.00 -0.13 -0.67 -6.64 -1.19 -2.95 119.36 103.17 2gmg n ILE 17 Ca -0.03 0.00 -0.23 0.00 -1.77 0.00 0.00 62.75 60.73 2gmg n ILE 17 Cb 0.22 -0.36 -0.11 0.00 -1.44 0.00 0.00 39.64 37.95 2gmg n ILE 17 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2gmg n GLU 18 N -0.82 0.63 0.01 6.28 1.02 -1.04 -4.47 120.64 122.25 2gmg n GLU 18 Ca 0.14 0.20 -0.10 0.00 -0.02 0.00 0.00 57.16 57.39 2gmg n GLU 18 Cb 0.07 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 29.83 2gmg n GLU 18 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2gmg h LEU 19 N -0.40 0.09 -0.22 -4.62 8.10 -1.65 -3.37 115.31 113.25 2gmg h LEU 19 Ca -0.62 -0.15 0.00 0.00 0.11 0.00 0.00 57.88 57.22 2gmg h LEU 19 Cb 1.78 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.97 2gmg h LEU 19 CO -0.22 1.13 0.00 0.18 -4.11 0.00 0.00 178.44 175.42 2gmg n LEU 20 N -3.22 0.20 0.05 0.17 4.77 -1.15 -2.11 117.00 115.71 2gmg n LEU 20 Ca -0.13 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 2gmg n LEU 20 Cb 1.02 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 41.70 2gmg n LEU 20 CO 0.46 -0.35 0.21 -0.11 -1.33 0.00 0.00 177.39 176.27 2gmg n LEU 21 N -1.73 0.68 -0.06 2.23 0.00 -1.26 -3.50 117.00 113.36 2gmg n LEU 21 Ca 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 56.01 56.16 2gmg n LEU 21 Cb 0.18 -0.15 -0.14 0.00 0.00 0.00 0.00 43.42 43.31 2gmg n LEU 21 CO 0.15 -0.03 -0.97 -0.62 0.00 0.00 0.00 177.39 175.92 2gmg n GLU 22 N -2.10 0.94 -0.81 1.96 1.02 -0.90 -4.96 120.64 115.79 2gmg n GLU 22 Ca 0.03 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2gmg n GLU 22 Cb 0.45 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2gmg n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gmg n GLY 23 N 1.75 2.80 3.11 0.62 0.00 -0.97 -5.16 105.19 107.35 2gmg n GLY 23 Ca -0.21 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 2gmg n GLY 23 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gmg s ASP 24 N -0.06 2.19 0.02 1.61 -4.77 -1.26 -4.43 116.67 109.97 2gmg s ASP 24 Ca 0.00 -0.37 0.01 0.00 -3.30 0.00 0.00 52.55 48.89 2gmg s ASP 24 Cb 0.00 -0.82 -0.01 0.00 -1.09 0.00 0.00 42.92 41.00 2gmg s ASP 24 CO 0.00 0.11 -0.04 -0.31 0.70 0.00 0.00 175.17 175.63 2gmg s TYR 25 N 0.30 0.34 0.61 2.11 2.02 -1.26 -5.03 117.35 116.44 2gmg s TYR 25 Ca -0.10 -0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.16 2gmg s TYR 25 Cb -0.14 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 2gmg s TYR 25 CO 0.04 -0.09 1.03 -1.12 -1.57 0.00 0.00 175.55 173.84 2gmg s SER 26 N -0.90 6.12 0.23 2.29 0.01 -1.26 -4.15 113.70 116.03 2gmg s SER 26 Ca -0.07 1.53 -0.08 0.00 1.31 0.00 0.00 55.95 58.64 2gmg s SER 26 Cb -0.06 -2.49 0.37 0.00 0.21 0.00 0.00 66.02 64.05 2gmg s SER 26 CO -0.00 -0.94 1.69 1.55 0.41 0.00 0.00 173.24 175.94 2gmg h PRO 27 N -0.04 0.23 -0.24 12.44 0.13 -1.96 0.37 132.00 142.93 2gmg h PRO 27 Ca -0.45 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2gmg h PRO 27 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2gmg h PRO 27 CO 0.60 0.15 0.04 0.77 -0.23 0.00 0.00 178.00 179.34 2gmg h SER 28 N 0.24 0.30 0.17 1.44 0.02 -1.95 -2.65 113.55 111.12 2gmg h SER 28 Ca 0.36 -0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 61.09 2gmg h SER 28 Cb 0.59 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2gmg h SER 28 CO -0.48 0.33 -0.72 -0.33 -1.14 0.00 0.00 176.83 174.49 2gmg h GLU 29 N 0.33 0.48 0.00 3.45 5.08 -1.57 -2.62 114.58 119.73 2gmg h GLU 29 Ca 0.08 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2gmg h GLU 29 Cb 0.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2gmg h GLU 29 CO -0.00 1.01 0.00 1.28 -1.00 0.00 0.00 179.01 180.30 2gmg n LEU 30 N -3.87 0.00 -0.05 1.33 4.77 0.12 -1.07 117.00 118.23 2gmg n LEU 30 Ca -0.05 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 2gmg n LEU 30 Cb 0.70 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.66 2gmg n LEU 30 CO 0.49 0.00 -0.90 0.00 -1.33 0.00 0.00 177.39 175.65 2gmg n ALA 31 N -0.96 2.00 -0.18 -1.18 0.00 -1.01 -4.45 120.51 114.73 2gmg n ALA 31 Ca 0.13 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 2gmg n ALA 31 Cb 0.06 -0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.24 2gmg n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gmg h ARG 32 N 0.00 0.86 -5.47 0.00 3.08 -0.79 -3.35 114.38 108.70 2gmg h ARG 32 Ca -0.26 -0.23 -0.67 0.00 0.07 0.00 0.00 59.98 58.89 2gmg h ARG 32 Cb 1.52 -0.10 -0.13 0.00 0.08 0.00 0.00 29.97 31.33 2gmg h ARG 32 CO 0.01 0.84 1.41 -1.50 -1.07 0.00 0.00 179.97 179.66 2gmg s ILE 33 N -5.21 4.42 -0.08 2.04 2.07 -1.16 -4.92 121.20 118.35 2gmg s ILE 33 Ca -0.13 -1.59 -0.32 0.00 -1.41 0.00 0.00 60.65 57.20 2gmg s ILE 33 Cb 0.12 -4.97 0.12 0.00 0.13 0.00 0.00 42.46 37.86 2gmg s ILE 33 CO 0.81 -1.76 1.22 -0.76 -1.91 0.00 0.00 174.94 172.53 2gmg s LEU 34 N 3.49 -0.11 -0.29 8.50 1.43 -1.26 -4.96 118.68 125.48 2gmg s LEU 34 Ca 0.43 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 2gmg s LEU 34 Cb -0.01 1.46 0.45 0.00 0.03 0.00 0.00 46.19 48.12 2gmg s LEU 34 CO -0.04 -0.32 1.28 -0.90 0.23 0.00 0.00 176.35 176.60 2gmg n ASP 35 N -0.31 3.95 -0.06 2.29 5.68 -1.26 -4.78 116.55 122.06 2gmg n ASP 35 Ca -0.05 -3.80 -0.11 0.00 -0.50 0.00 0.00 54.79 50.33 2gmg n ASP 35 Cb 0.61 -0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 2gmg n ASP 35 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2gmg n MET 36 N -0.88 0.35 -2.66 0.11 2.81 -1.26 -5.12 117.12 110.47 2gmg n MET 36 Ca 0.37 0.14 -0.05 0.00 -1.81 0.00 0.00 57.70 56.36 2gmg n MET 36 Cb 0.88 -1.10 -0.04 0.00 -0.71 0.00 0.00 33.22 32.26 2gmg n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2gmg n ARG 37 N -3.96 -4.24 -0.98 0.03 1.74 -1.26 -5.09 116.66 102.89 2gmg n ARG 37 Ca -0.20 3.23 0.00 0.00 -0.77 0.00 0.00 57.85 60.12 2gmg n ARG 37 Cb 0.50 -4.85 0.00 0.00 -1.02 0.00 0.00 32.46 27.10 2gmg n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gmg n GLY 38 N 1.62 4.72 0.08 -0.13 0.00 -1.26 -5.09 105.19 105.13 2gmg n GLY 38 Ca -0.34 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 2gmg n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gmg n LYS 39 N 0.00 0.78 -4.05 1.61 5.02 -1.26 -4.96 118.16 115.31 2gmg n LYS 39 Ca 0.00 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 2gmg n LYS 39 Cb 0.00 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 33.51 2gmg n LYS 39 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2gmg s GLY 40 N -5.42 1.58 0.00 0.72 0.00 -1.26 -4.92 107.32 98.02 2gmg s GLY 40 Ca -0.19 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 42.99 2gmg s GLY 40 CO 0.44 0.50 0.00 -1.14 0.00 0.00 0.00 173.10 172.90 2gmg n SER 41 N 4.55 2.63 -0.01 1.64 3.41 -1.26 -4.73 113.62 119.85 2gmg n SER 41 Ca -0.17 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.28 2gmg n SER 41 Cb 0.46 0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.90 2gmg n SER 41 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2gmg h LYS 42 N 0.00 0.01 -0.02 4.33 1.57 -1.91 -1.49 116.57 119.06 2gmg h LYS 42 Ca 0.00 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2gmg h LYS 42 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2gmg h LYS 42 CO 0.00 0.47 -0.74 0.87 -0.57 0.00 0.00 179.45 179.48 2gmg h LYS 43 N -0.45 0.13 -0.21 3.15 1.57 -1.99 -2.35 116.57 116.42 2gmg h LYS 43 Ca 0.00 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2gmg h LYS 43 Cb 0.46 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2gmg h LYS 43 CO 0.00 0.81 -0.18 0.28 -0.57 0.00 0.00 179.45 179.79 2gmg h VAL 44 N 0.08 1.32 0.00 0.50 2.07 -1.85 -2.44 116.25 115.94 2gmg h VAL 44 Ca -0.02 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 2gmg h VAL 44 Cb 1.30 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2gmg h VAL 44 CO 0.11 0.41 -0.32 -0.29 0.02 0.00 0.00 177.57 177.49 2gmg h ILE 45 N 0.17 0.70 -0.10 4.57 6.09 -1.30 -2.71 117.51 124.94 2gmg h ILE 45 Ca 0.04 -1.45 -0.18 0.00 -1.37 0.00 0.00 64.86 61.89 2gmg h ILE 45 Cb 0.72 1.95 -0.00 0.00 0.47 0.00 0.00 36.82 39.95 2gmg h ILE 45 CO 0.05 0.31 -0.71 -0.07 -3.07 0.00 0.00 178.15 174.66 2gmg h LEU 46 N 0.00 0.53 -0.21 2.19 -0.00 -1.35 -3.05 115.31 113.43 2gmg h LEU 46 Ca -0.00 -0.34 -0.15 0.00 -0.00 0.00 0.00 57.88 57.39 2gmg h LEU 46 Cb 0.92 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 2gmg h LEU 46 CO 0.04 1.08 -0.69 -0.33 -0.00 0.00 0.00 178.44 178.54 2gmg h GLU 47 N 0.31 0.00 -0.04 1.13 5.08 -1.43 -3.19 114.58 116.45 2gmg h GLU 47 Ca -0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2gmg h GLU 47 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2gmg h GLU 47 CO 0.13 0.69 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.12 2gmg h ASP 48 N 0.00 0.07 0.00 1.42 3.32 -1.53 -2.54 116.42 117.16 2gmg h ASP 48 Ca -0.01 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 2gmg h ASP 48 Cb 1.44 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 2gmg h ASP 48 CO 0.09 0.34 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.62 2gmg h LEU 49 N 0.06 0.40 -1.13 1.55 3.38 -1.52 -1.99 115.31 116.06 2gmg h LEU 49 Ca 0.01 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2gmg h LEU 49 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2gmg h LEU 49 CO 0.04 0.66 0.16 0.11 0.09 0.00 0.00 178.44 179.49 2gmg h LYS 50 N 0.36 0.77 0.11 1.13 1.57 -1.50 0.25 116.57 119.26 2gmg h LYS 50 Ca 0.05 -0.14 -0.23 0.00 -1.87 0.00 0.00 60.65 58.47 2gmg h LYS 50 Cb 0.64 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.84 2gmg h LYS 50 CO 0.05 0.67 -0.95 0.28 -0.57 0.00 0.00 179.45 178.93 2gmg h VAL 51 N 0.75 1.40 -0.34 0.50 2.07 -1.48 -3.31 116.25 115.85 2gmg h VAL 51 Ca 0.17 -2.41 -0.13 0.00 0.82 0.00 0.00 66.70 65.15 2gmg h VAL 51 Cb 0.23 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2gmg h VAL 51 CO -0.01 0.71 -0.31 0.40 0.02 0.00 0.00 177.57 178.37 2gmg h ILE 52 N -0.07 1.28 -0.01 4.57 2.04 -1.29 -3.05 117.51 120.99 2gmg h ILE 52 Ca -0.15 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2gmg h ILE 52 Cb 1.69 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2gmg h ILE 52 CO 0.18 0.48 0.01 0.28 0.00 0.00 0.00 178.15 179.09 2gmg h SER 53 N 0.62 0.00 0.36 1.72 0.02 -1.04 0.14 113.55 115.37 2gmg h SER 53 Ca 0.07 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 2gmg h SER 53 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2gmg h SER 53 CO 0.07 0.00 -0.78 0.11 -1.14 0.00 0.00 176.83 175.09 2gmg h LYS 54 N 0.00 0.33 0.17 3.45 1.57 -1.61 -3.10 116.57 117.38 2gmg h LYS 54 Ca 0.00 -0.30 -0.36 0.00 -1.87 0.00 0.00 60.65 58.13 2gmg h LYS 54 Cb 0.02 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2gmg h LYS 54 CO -0.00 0.96 -1.83 0.82 -0.57 0.00 0.00 179.45 178.83 2gmg h ILE 55 N 0.22 0.84 0.00 1.86 2.04 -1.54 -3.23 117.51 117.69 2gmg h ILE 55 Ca -0.04 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.35 2gmg h ILE 55 Cb 1.37 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 40.13 2gmg h ILE 55 CO 0.13 0.87 -0.03 0.00 0.00 0.00 0.00 178.15 179.12 2gmg h ALA 56 N 0.11 1.41 0.03 1.87 0.00 -0.82 0.60 119.26 122.45 2gmg h ALA 56 Ca -0.37 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 2gmg h ALA 56 Cb 2.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 2gmg h ALA 56 CO 0.15 0.03 -1.78 1.63 0.00 0.00 0.00 179.25 179.28 2gmg n LYS 57 N -3.70 0.66 0.22 0.00 5.02 -1.17 -0.77 118.16 118.41 2gmg n LYS 57 Ca -0.03 0.29 0.14 0.00 -2.02 0.00 0.00 58.31 56.69 2gmg n LYS 57 Cb 0.12 -1.77 0.45 0.00 -0.02 0.00 0.00 35.03 33.81 2gmg n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gmg h ARG 58 N 0.02 0.00 -0.17 1.97 3.08 -1.51 -2.95 114.38 114.82 2gmg h ARG 58 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2gmg h ARG 58 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2gmg h ARG 58 CO 0.08 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.37 2gmg n GLU 59 N -2.89 1.64 -2.08 0.04 1.02 0.18 -4.93 120.64 113.62 2gmg n GLU 59 Ca 0.03 -0.96 -0.14 0.00 -0.02 0.00 0.00 57.16 56.06 2gmg n GLU 59 Cb 0.39 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 2gmg n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gmg n GLY 60 N 1.06 0.16 3.48 0.62 0.00 -1.11 -5.02 105.19 104.39 2gmg n GLY 60 Ca 0.15 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2gmg n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gmg s MET 61 N -4.37 1.87 -0.14 1.61 -1.94 0.05 -4.10 119.30 112.28 2gmg s MET 61 Ca 0.00 -1.12 -0.01 0.00 -1.71 0.00 0.00 55.69 52.85 2gmg s MET 61 Cb 0.00 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 2gmg s MET 61 CO 0.00 0.50 -0.11 0.14 -0.01 0.00 0.00 175.02 175.54 2gmg s VAL 62 N -1.09 3.24 -0.22 -6.03 -7.23 -0.88 -3.84 120.40 104.34 2gmg s VAL 62 Ca 0.17 -0.59 -0.11 0.00 -1.81 0.00 0.00 61.98 59.65 2gmg s VAL 62 Cb -0.11 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 2gmg s VAL 62 CO 0.09 0.51 0.16 -0.22 -0.31 0.00 0.00 175.10 175.33 2gmg s LEU 63 N 0.42 4.16 -0.13 1.32 0.20 -1.26 -1.91 118.68 121.47 2gmg s LEU 63 Ca -0.09 0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 2gmg s LEU 63 Cb -0.15 -2.12 -0.02 0.00 -0.43 0.00 0.00 46.19 43.47 2gmg s LEU 63 CO 0.05 0.11 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.34 2gmg s LEU 64 N 0.73 2.78 -0.09 -0.68 1.43 -1.02 -5.01 118.68 116.82 2gmg s LEU 64 Ca 0.08 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2gmg s LEU 64 Cb -0.12 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 2gmg s LEU 64 CO 0.02 0.17 -0.11 -0.63 0.23 0.00 0.00 176.35 176.02 2gmg s ILE 65 N 0.35 3.28 0.12 -0.59 1.09 -1.26 -2.42 121.20 121.77 2gmg s ILE 65 Ca -0.10 -0.61 -0.30 0.00 -1.10 0.00 0.00 60.65 58.54 2gmg s ILE 65 Cb -0.16 -2.35 -0.06 0.00 -1.06 0.00 0.00 42.46 38.83 2gmg s ILE 65 CO 0.05 0.56 0.94 -0.54 -0.10 0.00 0.00 174.94 175.85 2gmg s LYS 66 N -0.23 4.69 -0.08 2.79 1.02 -0.32 -4.91 119.74 122.70 2gmg s LYS 66 Ca 0.02 1.42 -0.30 0.00 0.02 0.00 0.00 55.97 57.13 2gmg s LYS 66 Cb -0.13 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 2gmg s LYS 66 CO 0.03 0.25 1.60 -2.14 -0.92 0.00 0.00 175.35 174.16 2gmg s PRO 67 N -0.12 4.17 0.36 -1.68 0.02 -1.26 -3.77 135.00 132.72 2gmg s PRO 67 Ca 0.46 2.09 -0.27 0.00 0.02 0.00 0.00 61.00 63.30 2gmg s PRO 67 Cb -0.23 -3.96 -0.09 0.00 0.02 0.00 0.00 34.50 30.24 2gmg s PRO 67 CO 0.29 -0.84 1.19 0.00 -0.33 0.00 0.00 177.00 177.31 2gmg s ALA 68 N 4.01 3.30 0.05 -1.55 0.00 -1.24 -4.90 121.76 121.42 2gmg s ALA 68 Ca 0.71 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 2gmg s ALA 68 Cb -0.31 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2gmg s ALA 68 CO 0.27 -0.48 -0.01 1.14 0.00 0.00 0.00 175.76 176.69 2gmg s GLN 69 N -1.99 0.59 -0.20 0.00 -2.07 -1.24 -1.26 119.66 113.49 2gmg s GLN 69 Ca 0.52 -1.11 -0.25 0.00 -1.82 0.00 0.00 55.36 52.71 2gmg s GLN 69 Cb -0.33 0.21 -0.01 0.00 -1.09 0.00 0.00 33.01 31.79 2gmg s GLN 69 CO 0.43 -0.12 0.81 0.00 -1.32 0.00 0.00 175.29 175.09 2gmg n ARG 71 N 5.56 0.67 -0.09 0.00 1.74 -1.19 -2.46 116.66 120.88 2gmg n ARG 71 Ca 0.04 -0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 56.61 2gmg n ARG 71 Cb 0.48 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.31 2gmg n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2gmg n LYS 72 N -0.92 0.63 0.01 5.56 5.02 -1.26 -4.54 118.16 122.65 2gmg n LYS 72 Ca 0.13 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.90 2gmg n LYS 72 Cb 0.30 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 2gmg n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gmg n GLY 74 N 1.29 2.48 3.64 0.00 0.00 -1.03 -5.04 105.19 106.53 2gmg n GLY 74 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 2gmg n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2gmg n PHE 75 N -2.00 1.92 -4.32 1.61 7.35 -1.24 -4.79 117.46 115.99 2gmg n PHE 75 Ca 0.00 0.50 -0.34 0.00 -0.76 0.00 0.00 57.45 56.85 2gmg n PHE 75 Cb 0.00 -2.41 -0.13 0.00 0.35 0.00 0.00 39.48 37.29 2gmg n PHE 75 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2gmg s VAL 76 N -0.10 3.72 0.06 -2.13 -7.23 -1.26 -0.47 120.40 112.98 2gmg s VAL 76 Ca 0.69 -0.41 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 2gmg s VAL 76 Cb -0.70 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 2gmg s VAL 76 CO 0.50 0.47 0.18 -0.36 -0.31 0.00 0.00 175.10 175.59 2gmg s PHE 77 N 0.65 3.45 0.72 2.82 0.40 -0.39 -4.97 117.98 120.65 2gmg s PHE 77 Ca -0.03 0.22 -0.15 0.00 -0.60 0.00 0.00 56.93 56.38 2gmg s PHE 77 Cb -0.15 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.68 2gmg s PHE 77 CO 0.02 0.58 1.16 0.15 0.70 0.00 0.00 175.22 177.83 2gmg s LYS 78 N -2.45 2.33 0.16 0.44 1.02 -1.26 -3.73 119.74 116.25 2gmg s LYS 78 Ca 0.33 1.59 -0.31 0.00 0.02 0.00 0.00 55.97 57.60 2gmg s LYS 78 Cb -0.13 -1.87 -0.10 0.00 -0.52 0.00 0.00 37.83 35.21 2gmg s LYS 78 CO 0.26 -1.65 1.63 0.00 -0.92 0.00 0.00 175.35 174.67 2gmg s ALA 79 N -2.19 3.80 0.18 5.17 0.00 -1.26 -4.51 121.76 122.95 2gmg s ALA 79 Ca 0.71 1.40 0.03 0.00 0.00 0.00 0.00 51.96 54.10 2gmg s ALA 79 Cb -0.25 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 2gmg s ALA 79 CO 0.45 -0.88 -0.03 -1.83 0.00 0.00 0.00 175.76 173.47 2gmg s GLU 80 N 1.46 1.16 0.00 0.00 -1.05 -1.26 -5.04 118.70 113.96 2gmg s GLU 80 Ca 0.72 -1.55 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 2gmg s GLU 80 Cb -0.45 -0.46 0.00 0.00 -0.44 0.00 0.00 34.13 32.78 2gmg s GLU 80 CO 0.32 -0.07 0.00 0.44 0.95 0.00 0.00 175.26 176.90 2gmg n ILE 81 N -0.28 0.00 -1.88 1.83 -5.35 -1.26 -4.94 119.36 107.47 2gmg n ILE 81 Ca -0.07 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.00 2gmg n ILE 81 Cb 0.63 -0.84 -0.01 0.00 -1.74 0.00 0.00 39.64 37.68 2gmg n ILE 81 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2gmg s ASN 82 N -0.57 6.46 0.12 7.28 -0.87 -1.26 -5.03 114.94 121.06 2gmg s ASN 82 Ca 0.00 2.93 -0.08 0.00 -1.57 0.00 0.00 52.86 54.14 2gmg s ASN 82 Cb 0.00 -2.66 -0.06 0.00 -0.02 0.00 0.00 41.25 38.51 2gmg s ASN 82 CO 0.00 -0.80 0.42 -0.51 -2.57 0.00 0.00 177.10 173.64 2gmg s ILE 83 N -0.88 5.09 0.58 0.60 1.10 -1.26 -5.11 121.20 121.31 2gmg s ILE 83 Ca 0.54 0.34 -0.13 0.00 -0.51 0.00 0.00 60.65 60.89 2gmg s ILE 83 Cb -0.45 -3.64 -0.05 0.00 0.15 0.00 0.00 42.46 38.47 2gmg s ILE 83 CO 0.57 0.17 1.00 -2.84 -2.11 0.00 0.00 174.94 171.73 2gmg s PRO 84 N -2.25 3.71 -0.11 3.50 0.02 -1.26 -5.02 135.00 133.58 2gmg s PRO 84 Ca 0.37 0.79 0.19 0.00 0.02 0.00 0.00 61.00 62.38 2gmg s PRO 84 Cb -0.13 -2.11 -0.26 0.00 0.02 0.00 0.00 34.50 32.02 2gmg s PRO 84 CO 0.20 -0.46 0.30 0.43 -0.33 0.00 0.00 177.00 177.15 2gmg n SER 85 N -2.34 0.13 -3.86 2.53 7.64 -1.26 -5.00 113.62 111.46 2gmg n SER 85 Ca 0.06 0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.88 2gmg n SER 85 Cb 0.54 1.16 -0.12 0.00 -1.01 0.00 0.00 64.21 64.79 2gmg n SER 85 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gmg s ARG 86 N -2.85 0.29 0.28 1.43 0.52 -1.26 -4.94 118.95 112.42 2gmg s ARG 86 Ca -0.08 -0.10 -0.25 0.00 -0.52 0.00 0.00 55.73 54.78 2gmg s ARG 86 Cb 0.09 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.59 2gmg s ARG 86 CO 0.85 -0.06 0.89 0.00 0.02 0.00 0.00 175.30 177.01 2gmg h PRO 88 N 3.43 0.00 0.00 0.00 0.11 -2.01 -3.40 132.00 130.12 2gmg h PRO 88 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gmg h PRO 88 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2gmg h PRO 88 CO 0.65 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.61 2gmg n LYS 89 N -2.78 0.00 -2.61 1.05 4.81 -1.26 -5.09 118.16 112.28 2gmg n LYS 89 Ca 0.03 0.15 -0.07 0.00 -0.87 0.00 0.00 58.31 57.55 2gmg n LYS 89 Cb 0.37 -0.63 -0.02 0.00 0.02 0.00 0.00 35.03 34.77 2gmg n LYS 89 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gmg s LYS 91 N -2.41 4.00 -0.39 0.00 1.02 -1.26 -4.21 119.74 116.49 2gmg s LYS 91 Ca 0.03 1.48 -0.02 0.00 0.02 0.00 0.00 55.97 57.48 2gmg s LYS 91 Cb 0.00 -2.36 0.22 0.00 -0.52 0.00 0.00 37.83 35.17 2gmg s LYS 91 CO 0.02 -0.28 1.02 0.45 -0.92 0.00 0.00 175.35 175.64 2gmg n SER 92 N -0.44 -2.02 0.12 2.83 2.88 -1.26 -4.94 113.62 110.80 2gmg n SER 92 Ca 0.07 -1.77 0.12 0.00 -1.33 0.00 0.00 58.87 55.96 2gmg n SER 92 Cb 0.51 1.06 0.16 0.00 -0.75 0.00 0.00 64.21 65.19 2gmg n SER 92 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2gmg h GLU 93 N 4.16 0.00 -3.86 -1.46 5.08 -1.95 -3.43 114.58 113.13 2gmg h GLU 93 Ca -0.05 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.57 2gmg h GLU 93 Cb 1.15 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.10 2gmg h GLU 93 CO -0.06 0.00 -0.17 -1.58 -1.00 0.00 0.00 179.01 176.20 2gmg s TRP 94 N -3.22 3.55 0.09 4.33 0.51 -1.26 -5.06 118.94 117.88 2gmg s TRP 94 Ca 0.05 -2.18 0.08 0.00 -2.12 0.00 0.00 56.10 51.94 2gmg s TRP 94 Cb 0.10 -3.55 -0.03 0.00 -0.81 0.00 0.00 33.47 29.18 2gmg s TRP 94 CO 0.71 -0.94 -0.20 0.96 -0.51 0.00 0.00 176.95 176.96 2gmg s ILE 95 N 0.40 1.65 -0.02 2.03 -4.36 -1.26 -3.19 121.20 116.45 2gmg s ILE 95 Ca 0.14 -1.46 -0.22 0.00 -0.26 0.00 0.00 60.65 58.85 2gmg s ILE 95 Cb -0.18 -1.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 2gmg s ILE 95 CO -0.05 -0.02 0.66 -1.61 0.24 0.00 0.00 174.94 174.15 2gmg s GLU 96 N -1.76 4.40 0.22 0.37 0.41 0.22 -4.94 118.70 117.61 2gmg s GLU 96 Ca 0.06 0.83 -0.29 0.00 -0.41 0.00 0.00 54.97 55.16 2gmg s GLU 96 Cb -0.10 -3.39 -0.09 0.00 -1.78 0.00 0.00 34.13 28.78 2gmg s GLU 96 CO 0.04 0.23 0.90 -1.21 -0.49 0.00 0.00 175.26 174.73 2gmg s GLU 97 N 0.24 4.79 0.80 1.61 2.02 -1.26 -3.62 118.70 123.27 2gmg s GLU 97 Ca 0.34 1.41 -0.12 0.00 0.02 0.00 0.00 54.97 56.62 2gmg s GLU 97 Cb -0.18 -3.27 0.08 0.00 0.10 0.00 0.00 34.13 30.86 2gmg s GLU 97 CO 0.18 0.53 1.14 -1.25 0.02 0.00 0.00 175.26 175.88 2gmg s PRO 98 N -1.19 1.83 -0.05 0.39 0.04 -1.26 -4.87 135.00 129.89 2gmg s PRO 98 Ca 0.40 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2gmg s PRO 98 Cb -0.25 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2gmg s PRO 98 CO 0.31 -2.01 -0.05 1.03 0.04 0.00 0.00 177.00 176.31 2gmg s ARG 99 N -4.50 2.76 -0.14 4.56 0.52 -1.25 -4.74 118.95 116.16 2gmg s ARG 99 Ca 0.67 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 55.30 2gmg s ARG 99 Cb -0.22 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 2gmg s ARG 99 CO 0.53 0.65 -0.10 -0.06 0.02 0.00 0.00 175.30 176.34 2gmg s PHE 100 N -0.90 2.88 0.03 -0.53 0.08 -1.26 -1.18 117.98 117.11 2gmg s PHE 100 Ca 0.14 -0.54 -0.00 0.00 0.12 0.00 0.00 56.93 56.65 2gmg s PHE 100 Cb -0.11 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 2gmg s PHE 100 CO 0.04 -0.16 -0.03 0.15 -0.10 0.00 0.00 175.22 175.12 2gmg s LYS 101 N 0.36 0.41 -0.17 0.44 1.02 -1.02 -4.03 119.74 116.76 2gmg s LYS 101 Ca -0.09 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 2gmg s LYS 101 Cb -0.15 0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 2gmg s LYS 101 CO 0.05 -0.06 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.80 2gmg s LEU 102 N -1.89 2.70 -0.02 3.17 1.02 -1.23 -2.42 118.68 120.02 2gmg s LEU 102 Ca -0.09 -0.39 0.07 0.00 0.02 0.00 0.00 54.13 53.74 2gmg s LEU 102 Cb -0.05 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 2gmg s LEU 102 CO -0.03 0.08 -0.24 -1.61 0.02 0.00 0.00 176.35 174.57 2gmg s GLU 103 N 0.87 1.90 0.39 1.70 2.02 -0.80 -4.77 118.70 120.01 2gmg s GLU 103 Ca -0.03 -0.85 -0.14 0.00 0.02 0.00 0.00 54.97 53.97 2gmg s GLU 103 Cb -0.15 -1.85 -0.08 0.00 0.10 0.00 0.00 34.13 32.15 2gmg s GLU 103 CO 0.00 0.51 0.80 1.03 0.02 0.00 0.00 175.26 177.61 2gmg s ARG 104 N -0.58 3.93 0.00 1.61 0.52 -1.26 -2.08 118.95 121.09 2gmg s ARG 104 Ca 0.09 0.66 0.18 0.00 -0.52 0.00 0.00 55.73 56.15 2gmg s ARG 104 Cb -0.09 -2.36 0.14 0.00 0.52 0.00 0.00 34.95 33.16 2gmg s ARG 104 CO -0.01 0.01 1.07 1.17 0.02 0.00 0.00 175.30 177.57