#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 2.76 0.32 0.00 4.02 -1.26 -5.05 115.29 116.09 2gmg s HIS 2 Ca 0.00 -0.27 0.12 0.00 1.02 0.00 0.00 55.06 55.93 2gmg s HIS 2 Cb 0.00 -1.39 0.55 0.00 -1.02 0.00 0.00 32.58 30.71 2gmg s HIS 2 CO 0.00 0.50 1.73 0.45 1.02 0.00 0.00 174.74 178.43 2gmg h HIS 3 N 1.70 0.00 -3.54 1.40 -0.00 -2.11 -3.41 115.15 109.19 2gmg h HIS 3 Ca -0.45 -0.00 -0.66 0.00 -0.00 0.00 0.00 60.37 59.27 2gmg h HIS 3 Cb 1.25 -0.00 -0.25 0.00 -0.00 0.00 0.00 27.41 28.40 2gmg h HIS 3 CO 0.64 0.49 -0.67 -1.01 -0.00 0.00 0.00 177.93 177.38 2gmg s HIS 4 N -3.92 3.04 0.28 2.45 0.09 -1.26 -5.11 115.29 110.86 2gmg s HIS 4 Ca -0.02 -0.75 0.12 0.00 -0.00 0.00 0.00 55.06 54.41 2gmg s HIS 4 Cb 0.14 -2.18 -0.05 0.00 -0.00 0.00 0.00 32.58 30.48 2gmg s HIS 4 CO 0.74 -0.48 -0.19 -1.01 -0.00 0.00 0.00 174.74 173.80 2gmg s HIS 5 N 1.54 2.30 -0.24 1.40 0.09 -1.26 -5.13 115.29 113.99 2gmg s HIS 5 Ca 0.05 -0.33 -0.21 0.00 -0.00 0.00 0.00 55.06 54.57 2gmg s HIS 5 Cb -0.15 -1.00 -0.02 0.00 -0.00 0.00 0.00 32.58 31.41 2gmg s HIS 5 CO 0.00 0.72 0.65 -1.01 -0.00 0.00 0.00 174.74 175.10 2gmg s HIS 6 N -2.51 3.31 -0.04 1.40 0.09 -1.26 -5.07 115.29 111.21 2gmg s HIS 6 Ca 0.30 0.88 0.06 0.00 -0.00 0.00 0.00 55.06 56.30 2gmg s HIS 6 Cb -0.05 -2.85 -0.02 0.00 -0.00 0.00 0.00 32.58 29.66 2gmg s HIS 6 CO 0.15 -0.29 -0.23 -1.01 -0.00 0.00 0.00 174.74 173.35 2gmg s HIS 7 N 2.38 2.45 0.00 1.40 4.02 -1.26 -5.11 115.29 119.17 2gmg s HIS 7 Ca 0.28 -0.53 0.00 0.00 1.02 0.00 0.00 55.06 55.83 2gmg s HIS 7 Cb -0.16 -1.57 0.00 0.00 -1.02 0.00 0.00 32.58 29.83 2gmg s HIS 7 CO 0.09 -0.09 0.00 0.41 1.02 0.00 0.00 174.74 176.17 2gmg n GLY 8 N 2.67 0.90 0.08 -2.22 0.00 -1.26 -5.03 105.19 100.33 2gmg n GLY 8 Ca -0.17 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 1.25 1.61 0.02 -2.00 -3.14 113.55 111.30 2gmg h SER 9 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2gmg h SER 9 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2gmg h SER 9 CO 0.00 0.95 -0.75 0.00 -1.14 0.00 0.00 176.83 175.88 2gmg h ALA 10 N 1.05 0.54 0.10 3.77 0.00 -2.01 -3.31 119.26 119.40 2gmg h ALA 10 Ca -0.17 -0.67 -0.29 0.00 0.00 0.00 0.00 54.91 53.78 2gmg h ALA 10 Cb 1.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2gmg h ALA 10 CO 0.09 0.91 -1.39 1.79 0.00 0.00 0.00 179.25 180.65 2gmg h THR 11 N 0.00 1.31 -0.73 0.00 1.35 -1.97 -3.14 112.91 109.74 2gmg h THR 11 Ca -0.02 -2.94 0.02 0.00 -0.55 0.00 0.00 66.41 62.93 2gmg h THR 11 Cb 1.56 2.81 -0.04 0.00 -1.73 0.00 0.00 68.15 70.75 2gmg h THR 11 CO 0.09 0.84 0.48 0.03 -0.25 0.00 0.00 175.52 176.71 2gmg h ARG 12 N 0.06 0.90 -0.17 4.72 3.08 -1.66 0.97 114.38 122.28 2gmg h ARG 12 Ca -0.19 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 2gmg h ARG 12 Cb 1.98 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.82 2gmg h ARG 12 CO 0.17 0.59 -0.53 0.00 -1.07 0.00 0.00 179.97 179.13 2gmg h ARG 13 N 0.92 0.48 -0.16 0.04 3.08 -1.66 -2.93 114.38 114.16 2gmg h ARG 13 Ca 0.28 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2gmg h ARG 13 Cb -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2gmg h ARG 13 CO -0.07 0.89 -0.22 0.93 -1.07 0.00 0.00 179.97 180.44 2gmg h GLU 14 N 0.38 0.28 0.00 0.04 5.08 -1.19 -2.77 114.58 116.40 2gmg h GLU 14 Ca 0.01 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2gmg h GLU 14 Cb 1.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2gmg h GLU 14 CO 0.10 0.49 -0.44 0.87 -1.00 0.00 0.00 179.01 179.03 2gmg h LYS 15 N 0.26 0.00 -0.22 2.33 1.57 -0.68 -2.78 116.57 117.05 2gmg h LYS 15 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2gmg h LYS 15 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2gmg h LYS 15 CO 0.04 0.44 -0.05 0.82 -0.57 0.00 0.00 179.45 180.12 2gmg h ILE 16 N 0.00 1.28 0.00 1.86 2.04 -1.37 -2.15 117.51 119.17 2gmg h ILE 16 Ca -0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2gmg h ILE 16 Cb 0.81 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2gmg h ILE 16 CO 0.06 0.32 0.00 2.30 0.00 0.00 0.00 178.15 180.83 2gmg n ILE 17 N -4.59 0.00 -0.07 -0.67 -6.64 -1.17 -3.02 119.36 103.20 2gmg n ILE 17 Ca -0.04 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 60.84 2gmg n ILE 17 Cb 0.29 -0.37 -0.07 0.00 -1.44 0.00 0.00 39.64 38.05 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 -0.86 0.35 0.11 6.28 1.02 -1.06 -4.59 120.64 121.88 2gmg n GLU 18 Ca 0.17 0.08 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 2gmg n GLU 18 Cb 0.08 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 30.23 2gmg n GLU 18 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2gmg h LEU 19 N -0.00 0.00 -0.03 -4.62 5.85 -1.50 -3.37 115.31 111.63 2gmg h LEU 19 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2gmg h LEU 19 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2gmg h LEU 19 CO -0.05 0.00 -0.23 0.18 -0.34 0.00 0.00 178.44 178.00 2gmg n LEU 20 N -2.70 0.28 -0.04 2.25 4.32 -1.17 -3.49 117.00 116.46 2gmg n LEU 20 Ca 0.00 0.22 0.13 0.00 -0.02 0.00 0.00 56.01 56.33 2gmg n LEU 20 Cb 0.55 -0.35 0.36 0.00 -1.62 0.00 0.00 43.42 42.36 2gmg n LEU 20 CO 0.40 0.07 0.60 -0.11 -1.22 0.00 0.00 177.39 177.12 2gmg n LEU 21 N -1.42 0.49 -0.05 2.23 0.00 -1.26 -3.81 117.00 113.17 2gmg n LEU 21 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 56.01 56.11 2gmg n LEU 21 Cb 0.33 -0.27 -0.13 0.00 0.00 0.00 0.00 43.42 43.36 2gmg n LEU 21 CO 0.30 0.11 -0.89 -0.62 0.00 0.00 0.00 177.39 176.29 2gmg n GLU 22 N -1.34 1.05 -2.36 1.96 1.02 -1.23 -4.90 120.64 114.84 2gmg n GLU 22 Ca 0.07 -0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 2gmg n GLU 22 Cb 0.33 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.83 1.28 3.48 0.62 0.00 -1.24 -5.16 105.19 105.99 2gmg n GLY 23 Ca -0.17 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 2gmg n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gmg s ASP 24 N -2.00 4.55 0.00 1.61 -1.08 -1.26 -4.48 116.67 114.02 2gmg s ASP 24 Ca 0.09 -0.16 -0.00 0.00 -0.52 0.00 0.00 52.55 51.96 2gmg s ASP 24 Cb -0.02 -1.60 -0.00 0.00 -1.46 0.00 0.00 42.92 39.84 2gmg s ASP 24 CO 0.04 0.21 -0.01 -0.31 0.52 0.00 0.00 175.17 175.63 2gmg s TYR 25 N 0.09 0.07 0.68 -5.34 2.02 -1.26 -5.08 117.35 108.53 2gmg s TYR 25 Ca -0.02 -0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 2gmg s TYR 25 Cb -0.14 -0.05 -0.00 0.00 -0.40 0.00 0.00 41.96 41.37 2gmg s TYR 25 CO 0.03 -0.05 1.05 -1.12 -1.57 0.00 0.00 175.55 173.90 2gmg s SER 26 N -0.38 5.58 0.25 2.29 0.01 -1.26 -4.78 113.70 115.41 2gmg s SER 26 Ca -0.04 1.54 -0.04 0.00 1.31 0.00 0.00 55.95 58.72 2gmg s SER 26 Cb -0.03 -2.45 0.45 0.00 0.21 0.00 0.00 66.02 64.20 2gmg s SER 26 CO -0.00 -1.31 1.77 1.55 0.41 0.00 0.00 173.24 175.66 2gmg h PRO 27 N -0.62 0.59 0.00 12.44 0.13 -1.95 0.32 132.00 142.91 2gmg h PRO 27 Ca -0.44 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2gmg h PRO 27 Cb 1.21 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2gmg h PRO 27 CO 0.58 0.39 -0.18 0.77 -0.23 0.00 0.00 178.00 179.34 2gmg h SER 28 N 0.61 0.00 0.27 1.44 0.02 -1.94 -2.45 113.55 111.49 2gmg h SER 28 Ca 0.42 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.11 2gmg h SER 28 Cb 0.53 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 2gmg h SER 28 CO -0.33 0.18 -1.05 -0.33 -1.14 0.00 0.00 176.83 174.16 2gmg h GLU 29 N 0.00 0.49 0.00 3.45 5.08 -1.56 -2.30 114.58 119.75 2gmg h GLU 29 Ca -0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2gmg h GLU 29 Cb 0.31 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2gmg h GLU 29 CO 0.02 1.21 0.00 1.28 -1.00 0.00 0.00 179.01 180.52 2gmg n LEU 30 N -3.75 0.00 -0.08 1.33 4.77 0.10 -1.17 117.00 118.20 2gmg n LEU 30 Ca -0.09 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2gmg n LEU 30 Cb 0.89 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.65 2gmg n LEU 30 CO 0.54 -0.10 -1.06 0.00 -1.33 0.00 0.00 177.39 175.43 2gmg n ALA 31 N -1.17 1.73 -0.10 -1.18 0.00 -0.95 -4.50 120.51 114.35 2gmg n ALA 31 Ca 0.08 -1.14 -0.10 0.00 0.00 0.00 0.00 53.44 52.27 2gmg n ALA 31 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 0.46 -5.36 0.00 3.08 -0.58 -3.34 114.38 108.64 2gmg h ARG 32 Ca -0.44 -0.11 -0.68 0.00 0.07 0.00 0.00 59.98 58.82 2gmg h ARG 32 Cb 1.98 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.90 2gmg h ARG 32 CO 0.02 0.55 2.44 1.51 -1.07 0.00 0.00 179.97 183.43 2gmg n ILE 33 N -4.67 3.79 -0.38 2.04 3.06 -1.06 -4.83 119.36 117.32 2gmg n ILE 33 Ca -0.02 -3.79 0.00 0.00 -2.50 0.00 0.00 62.75 56.43 2gmg n ILE 33 Cb 0.19 -2.42 0.00 0.00 0.54 0.00 0.00 39.64 37.95 2gmg n ILE 33 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2gmg n LEU 34 N 7.85 0.00 -2.33 9.51 0.00 -1.25 -4.97 117.00 125.80 2gmg n LEU 34 Ca 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 56.23 2gmg n LEU 34 Cb 0.44 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.88 2gmg n LEU 34 CO 0.80 0.00 0.40 -0.67 0.00 0.00 0.00 177.39 177.92 2gmg n ASP 35 N 1.83 5.26 -4.55 1.96 -0.08 -1.26 -5.06 116.55 114.64 2gmg n ASP 35 Ca 0.00 -3.75 -0.24 0.00 -1.51 0.00 0.00 54.79 49.29 2gmg n ASP 35 Cb 0.00 -0.50 -0.09 0.00 2.34 0.00 0.00 41.12 42.87 2gmg n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gmg s MET 36 N -3.63 1.94 0.03 -0.67 0.23 -1.26 -5.14 119.30 110.79 2gmg s MET 36 Ca 0.51 -1.67 0.01 0.00 -1.03 0.00 0.00 55.69 53.50 2gmg s MET 36 Cb 0.42 -1.91 -0.04 0.00 -1.53 0.00 0.00 34.83 31.77 2gmg s MET 36 CO -0.11 0.30 0.11 1.03 -2.03 0.00 0.00 175.02 174.32 2gmg s ARG 37 N -3.60 3.11 0.00 3.16 0.52 -1.26 -4.94 118.95 115.94 2gmg s ARG 37 Ca 0.31 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2gmg s ARG 37 Cb -0.04 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.56 2gmg s ARG 37 CO 0.17 0.62 0.00 0.41 0.02 0.00 0.00 175.30 176.52 2gmg n GLY 38 N 0.77 0.70 3.23 -3.53 0.00 -1.26 -4.95 105.19 100.14 2gmg n GLY 38 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.48 0.00 1.61 5.02 -1.26 -4.64 118.16 117.41 2gmg n LYS 39 Ca 0.00 1.24 0.00 0.00 -2.02 0.00 0.00 58.31 57.53 2gmg n LYS 39 Cb 0.00 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 2gmg n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gmg n GLY 40 N -1.67 0.66 0.00 0.72 0.00 -1.26 -5.05 105.19 98.60 2gmg n GLY 40 Ca -0.06 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.70 2gmg n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gmg n SER 41 N 0.00 3.53 -0.21 1.61 3.41 -1.26 -4.73 113.62 115.97 2gmg n SER 41 Ca 0.00 -0.13 -0.08 0.00 -0.26 0.00 0.00 58.87 58.40 2gmg n SER 41 Cb 0.00 1.05 0.02 0.00 -0.26 0.00 0.00 64.21 65.02 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 0.93 0.00 4.33 1.57 -1.97 -2.58 116.57 118.85 2gmg h LYS 42 Ca 0.00 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 2gmg h LYS 42 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2gmg h LYS 42 CO 0.00 0.85 -0.52 0.87 -0.57 0.00 0.00 179.45 180.08 2gmg h LYS 43 N 0.83 0.00 -0.36 3.15 1.57 -1.99 -2.66 116.57 117.11 2gmg h LYS 43 Ca 0.18 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2gmg h LYS 43 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2gmg h LYS 43 CO 0.00 0.52 -0.14 0.28 -0.57 0.00 0.00 179.45 179.54 2gmg h VAL 44 N 0.00 1.28 -0.11 0.50 2.07 -1.78 -2.15 116.25 116.07 2gmg h VAL 44 Ca -0.01 -1.25 -0.23 0.00 0.82 0.00 0.00 66.70 66.04 2gmg h VAL 44 Cb 1.05 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2gmg h VAL 44 CO 0.07 0.41 -0.84 0.40 0.02 0.00 0.00 177.57 177.64 2gmg h ILE 45 N 0.53 1.30 -0.36 4.57 1.08 -1.46 -2.11 117.51 121.05 2gmg h ILE 45 Ca 0.09 -2.07 -0.05 0.00 -0.39 0.00 0.00 64.86 62.43 2gmg h ILE 45 Cb 0.68 2.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.51 2gmg h ILE 45 CO 0.05 0.65 -0.00 -0.07 -0.69 0.00 0.00 178.15 178.08 2gmg h LEU 46 N 0.47 0.54 -0.49 1.44 3.38 -1.49 -1.02 115.31 118.13 2gmg h LEU 46 Ca -0.07 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2gmg h LEU 46 Cb 1.46 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2gmg h LEU 46 CO 0.17 0.61 -0.54 -0.33 0.09 0.00 0.00 178.44 178.43 2gmg h GLU 47 N 0.54 0.00 0.00 1.13 5.08 -1.40 -2.98 114.58 116.95 2gmg h GLU 47 Ca 0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2gmg h GLU 47 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2gmg h GLU 47 CO 0.01 0.54 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.76 2gmg h ASP 48 N 0.00 0.00 0.10 1.42 3.32 -0.65 -2.78 116.42 117.83 2gmg h ASP 48 Ca -0.01 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 2gmg h ASP 48 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2gmg h ASP 48 CO 0.07 0.36 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.61 2gmg h LEU 49 N 0.00 0.28 -1.14 1.55 -0.00 -1.05 -2.62 115.31 112.33 2gmg h LEU 49 Ca -0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.74 2gmg h LEU 49 Cb 0.66 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 2gmg h LEU 49 CO 0.05 0.56 0.14 0.11 -0.00 0.00 0.00 178.44 179.30 2gmg h LYS 50 N 0.25 0.75 -0.04 1.13 1.57 -1.48 -0.23 116.57 118.52 2gmg h LYS 50 Ca 0.04 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 2gmg h LYS 50 Cb 0.62 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.82 2gmg h LYS 50 CO 0.05 0.66 -0.55 0.28 -0.57 0.00 0.00 179.45 179.31 2gmg h VAL 51 N 0.73 1.41 -0.06 0.50 2.07 -1.52 -3.26 116.25 116.12 2gmg h VAL 51 Ca 0.17 -1.98 -0.15 0.00 0.82 0.00 0.00 66.70 65.55 2gmg h VAL 51 Cb 0.24 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2gmg h VAL 51 CO -0.01 0.58 -0.65 0.40 0.02 0.00 0.00 177.57 177.91 2gmg h ILE 52 N -0.04 1.40 -0.13 4.57 2.04 -1.39 -3.04 117.51 120.92 2gmg h ILE 52 Ca -0.06 -2.09 -0.05 0.00 1.00 0.00 0.00 64.86 63.67 2gmg h ILE 52 Cb 1.24 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 2gmg h ILE 52 CO 0.11 0.62 -0.14 -1.28 0.00 0.00 0.00 178.15 177.45 2gmg h SER 53 N 0.17 0.20 0.21 1.72 0.87 -1.12 0.18 113.55 115.78 2gmg h SER 53 Ca -0.01 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.37 2gmg h SER 53 Cb 1.18 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2gmg h SER 53 CO 0.10 0.36 -0.54 0.11 -0.53 0.00 0.00 176.83 176.33 2gmg h LYS 54 N 0.20 0.36 0.20 2.24 1.57 -1.57 -3.07 116.57 116.49 2gmg h LYS 54 Ca 0.04 -0.22 -0.35 0.00 -1.87 0.00 0.00 60.65 58.25 2gmg h LYS 54 Cb 0.38 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2gmg h LYS 54 CO 0.02 0.81 -1.69 0.82 -0.57 0.00 0.00 179.45 178.84 2gmg h ILE 55 N 0.28 1.02 -0.06 1.86 2.04 -1.51 -3.25 117.51 117.89 2gmg h ILE 55 Ca 0.01 -2.57 0.02 0.00 1.00 0.00 0.00 64.86 63.31 2gmg h ILE 55 Cb 1.04 2.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.93 2gmg h ILE 55 CO 0.09 0.85 0.05 0.00 0.00 0.00 0.00 178.15 179.14 2gmg h ALA 56 N 0.15 1.73 0.08 1.87 0.00 -0.68 0.39 119.26 122.79 2gmg h ALA 56 Ca -0.32 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.26 2gmg h ALA 56 Cb 2.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2gmg h ALA 56 CO 0.20 -0.08 -1.78 0.87 0.00 0.00 0.00 179.25 178.45 2gmg h LYS 57 N 0.00 0.18 0.00 0.00 1.57 -1.66 -2.11 116.57 114.55 2gmg h LYS 57 Ca 0.03 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2gmg h LYS 57 Cb 0.13 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2gmg h LYS 57 CO -0.00 0.96 -0.01 0.00 -0.57 0.00 0.00 179.45 179.83 2gmg h ARG 58 N 0.05 0.00 -0.54 3.15 3.08 -1.53 -3.00 114.38 115.58 2gmg h ARG 58 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 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 0.11 0.01 0.00 0.39 -1.07 0.00 0.00 179.97 179.40 2gmg n GLU 59 N -3.10 2.95 0.00 0.04 1.02 0.10 -5.01 120.64 116.65 2gmg n GLU 59 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.68 2gmg n GLU 59 Cb 0.30 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 1.00 1.12 3.46 0.62 0.00 -0.83 -4.93 105.19 105.62 2gmg n GLY 60 Ca 0.19 -0.02 -0.63 0.00 0.00 0.00 0.00 46.02 45.56 2gmg n GLY 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gmg n MET 61 N 0.00 0.00 -3.99 1.61 2.81 -0.99 -4.66 117.12 111.90 2gmg n MET 61 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 2gmg n MET 61 Cb 0.00 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 30.96 2gmg n MET 61 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2gmg s VAL 62 N 4.17 5.02 -0.18 2.03 -7.23 -1.26 -4.14 120.40 118.82 2gmg s VAL 62 Ca 1.09 0.04 -0.16 0.00 -1.81 0.00 0.00 61.98 61.13 2gmg s VAL 62 Cb -1.47 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 32.22 2gmg s VAL 62 CO 0.73 0.53 0.41 -0.76 -0.31 0.00 0.00 175.10 175.71 2gmg s LEU 63 N -0.30 4.19 -0.20 1.32 1.43 -1.26 -3.71 118.68 120.15 2gmg s LEU 63 Ca 0.09 0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 53.70 2gmg s LEU 63 Cb -0.12 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2gmg s LEU 63 CO 0.01 -0.05 0.11 -0.76 0.23 0.00 0.00 176.35 175.89 2gmg s LEU 64 N 1.07 4.00 -0.16 1.79 1.02 -1.15 -4.98 118.68 120.27 2gmg s LEU 64 Ca 0.21 0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.46 2gmg s LEU 64 Cb -0.15 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.01 2gmg s LEU 64 CO 0.08 0.15 -0.07 -0.63 0.02 0.00 0.00 176.35 175.90 2gmg s ILE 65 N 0.54 3.49 0.09 -0.59 1.09 -1.26 -3.36 121.20 121.21 2gmg s ILE 65 Ca 0.06 -0.49 -0.27 0.00 -1.10 0.00 0.00 60.65 58.85 2gmg s ILE 65 Cb -0.12 -2.52 -0.06 0.00 -1.06 0.00 0.00 42.46 38.69 2gmg s ILE 65 CO 0.00 0.49 0.83 -0.54 -0.10 0.00 0.00 174.94 175.62 2gmg s LYS 66 N 0.61 4.58 0.02 2.79 1.02 -1.06 -4.93 119.74 122.78 2gmg s LYS 66 Ca -0.04 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.86 2gmg s LYS 66 Cb -0.15 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 2gmg s LYS 66 CO 0.03 0.32 1.50 -2.14 -0.92 0.00 0.00 175.35 174.13 2gmg s PRO 67 N -0.25 4.25 0.34 -1.68 0.02 -1.26 -4.11 135.00 132.30 2gmg s PRO 67 Ca 0.41 2.10 -0.28 0.00 0.02 0.00 0.00 61.00 63.25 2gmg s PRO 67 Cb -0.22 -3.60 -0.10 0.00 0.02 0.00 0.00 34.50 30.61 2gmg s PRO 67 CO 0.26 -0.65 1.22 0.00 -0.33 0.00 0.00 177.00 177.50 2gmg s ALA 68 N 2.56 3.38 0.05 -1.55 0.00 -1.25 -4.92 121.76 120.03 2gmg s ALA 68 Ca 0.68 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 2gmg s ALA 68 Cb -0.34 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 2gmg s ALA 68 CO 0.29 -0.49 -0.03 1.14 0.00 0.00 0.00 175.76 176.66 2gmg s GLN 69 N -1.84 0.57 -0.17 0.00 -2.07 -1.25 -1.31 119.66 113.59 2gmg s GLN 69 Ca 0.50 -1.11 -0.21 0.00 -1.82 0.00 0.00 55.36 52.72 2gmg s GLN 69 Cb -0.35 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 31.71 2gmg s GLN 69 CO 0.46 -0.09 0.61 0.00 -1.32 0.00 0.00 175.29 174.95 2gmg n ARG 71 N 4.66 0.99 -0.12 0.00 1.74 -1.00 -2.75 116.66 120.18 2gmg n ARG 71 Ca -0.02 -0.61 -0.26 0.00 -0.77 0.00 0.00 57.85 56.18 2gmg n ARG 71 Cb 0.50 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 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 -0.47 0.59 0.03 5.56 5.02 -1.26 -4.60 118.16 123.03 2gmg n LYS 72 Ca 0.13 0.38 0.10 0.00 -2.02 0.00 0.00 58.31 56.90 2gmg n LYS 72 Cb 0.36 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.26 2.93 3.64 0.00 0.00 -1.11 -5.05 105.19 106.85 2gmg n GLY 74 Ca -0.04 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.50 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 1.94 -4.14 1.61 7.35 -1.25 -4.76 117.46 116.21 2gmg n PHE 75 Ca 0.00 0.45 -0.35 0.00 -0.76 0.00 0.00 57.45 56.79 2gmg n PHE 75 Cb 0.00 -2.44 -0.12 0.00 0.35 0.00 0.00 39.48 37.27 2gmg n PHE 75 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2gmg s VAL 76 N 0.48 4.19 0.12 -2.13 1.01 -1.26 -0.41 120.40 122.41 2gmg s VAL 76 Ca 0.78 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 2gmg s VAL 76 Cb -0.77 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2gmg s VAL 76 CO 0.44 0.45 0.35 -0.36 0.00 0.00 0.00 175.10 175.98 2gmg s PHE 77 N 0.67 3.49 0.53 5.22 0.40 -0.43 -4.97 117.98 122.90 2gmg s PHE 77 Ca 0.00 0.52 -0.21 0.00 -0.60 0.00 0.00 56.93 56.64 2gmg s PHE 77 Cb -0.14 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.37 2gmg s PHE 77 CO 0.02 0.46 1.21 0.15 0.70 0.00 0.00 175.22 177.77 2gmg s LYS 78 N -2.59 3.31 -0.27 0.44 1.02 -1.26 -3.84 119.74 116.56 2gmg s LYS 78 Ca 0.39 1.86 -0.28 0.00 0.02 0.00 0.00 55.97 57.96 2gmg s LYS 78 Cb -0.12 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 2gmg s LYS 78 CO 0.25 -0.94 1.99 0.00 -0.92 0.00 0.00 175.35 175.73 2gmg s ALA 79 N -1.55 2.83 0.48 5.17 0.00 -1.26 -4.49 121.76 122.95 2gmg s ALA 79 Ca 0.71 0.53 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2gmg s ALA 79 Cb -0.31 -4.03 -0.02 0.00 0.00 0.00 0.00 23.12 18.76 2gmg s ALA 79 CO 0.35 -2.66 0.03 -1.21 0.00 0.00 0.00 175.76 172.28 2gmg s GLU 80 N 5.92 2.11 0.00 0.00 2.02 -1.26 -5.03 118.70 122.45 2gmg s GLU 80 Ca 0.89 -2.32 0.00 0.00 0.02 0.00 0.00 54.97 53.56 2gmg s GLU 80 Cb -0.28 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.64 2gmg s GLU 80 CO 0.34 -0.36 0.00 0.44 0.02 0.00 0.00 175.26 175.70 2gmg n ILE 81 N -1.15 0.00 -1.99 -1.63 -6.64 -1.26 -4.94 119.36 101.75 2gmg n ILE 81 Ca -0.15 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.46 2gmg n ILE 81 Cb 0.67 -0.74 0.02 0.00 -1.44 0.00 0.00 39.64 38.15 2gmg n ILE 81 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 2gmg s ASN 82 N -0.44 5.60 -0.08 7.28 0.01 -1.26 -5.04 114.94 121.02 2gmg s ASN 82 Ca 0.00 2.54 0.01 0.00 -0.71 0.00 0.00 52.86 54.71 2gmg s ASN 82 Cb 0.00 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 2gmg s ASN 82 CO 0.00 -1.33 -0.11 -0.63 -1.51 0.00 0.00 177.10 173.53 2gmg s ILE 83 N -1.43 3.35 0.56 0.60 1.01 -1.26 -5.13 121.20 118.90 2gmg s ILE 83 Ca 0.69 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 2gmg s ILE 83 Cb -0.35 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 2gmg s ILE 83 CO 0.41 0.57 1.07 -2.84 0.00 0.00 0.00 174.94 174.15 2gmg s PRO 84 N -0.47 3.43 0.33 2.79 0.02 -1.26 -5.00 135.00 134.85 2gmg s PRO 84 Ca 0.06 1.34 0.22 0.00 0.02 0.00 0.00 61.00 62.65 2gmg s PRO 84 Cb -0.12 -2.04 0.19 0.00 0.02 0.00 0.00 34.50 32.55 2gmg s PRO 84 CO 0.02 -0.74 1.36 0.77 -0.33 0.00 0.00 177.00 178.08 2gmg h SER 85 N 0.89 0.00 -4.29 2.53 0.02 -2.02 -3.46 113.55 107.22 2gmg h SER 85 Ca -0.48 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.29 2gmg h SER 85 Cb 1.23 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.53 2gmg h SER 85 CO 0.57 0.03 -0.55 -0.13 -1.14 0.00 0.00 176.83 175.61 2gmg s ARG 86 N -3.26 0.28 0.28 3.45 0.52 -1.26 -4.98 118.95 113.99 2gmg s ARG 86 Ca 0.04 -0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 2gmg s ARG 86 Cb 0.07 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.57 2gmg s ARG 86 CO 0.72 -0.05 1.01 0.00 0.02 0.00 0.00 175.30 177.00 2gmg n PRO 88 N 1.11 0.20 -0.01 0.00 -0.02 -1.26 -4.17 135.00 130.86 2gmg n PRO 88 Ca -0.00 0.44 -0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2gmg n PRO 88 Cb 0.47 -1.90 -0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2gmg n PRO 88 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2gmg n LYS 89 N -2.28 0.03 -1.98 -0.52 4.81 -1.26 -5.07 118.16 111.89 2gmg n LYS 89 Ca 0.02 0.25 -0.01 0.00 -0.87 0.00 0.00 58.31 57.70 2gmg n LYS 89 Cb 0.23 -0.80 -0.00 0.00 0.02 0.00 0.00 35.03 34.48 2gmg n LYS 89 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gmg n LYS 91 N -0.10 3.41 -1.98 0.00 5.02 -1.26 -3.56 118.16 119.68 2gmg n LYS 91 Ca -0.00 -3.08 -0.43 0.00 -2.02 0.00 0.00 58.31 52.78 2gmg n LYS 91 Cb 0.01 -2.14 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 2gmg n LYS 91 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2gmg s SER 92 N -1.29 6.10 -0.03 4.39 0.15 -1.26 -4.88 113.70 116.87 2gmg s SER 92 Ca 0.53 1.61 0.13 0.00 0.70 0.00 0.00 55.95 58.93 2gmg s SER 92 Cb 0.43 -2.53 0.43 0.00 -1.71 0.00 0.00 66.02 62.65 2gmg s SER 92 CO 0.12 -1.49 1.33 -0.62 1.20 0.00 0.00 173.24 173.78 2gmg n GLU 93 N 8.06 2.36 -3.02 5.44 1.02 -1.26 -4.47 120.64 128.77 2gmg n GLU 93 Ca 0.22 -1.74 -0.44 0.00 -0.02 0.00 0.00 57.16 55.17 2gmg n GLU 93 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 2gmg n GLU 93 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2gmg s TRP 94 N -1.52 3.34 -0.06 -0.32 -0.11 -1.26 -5.00 118.94 114.01 2gmg s TRP 94 Ca 0.32 -1.67 0.04 0.00 1.22 0.00 0.00 56.10 56.01 2gmg s TRP 94 Cb 0.18 -4.19 -0.02 0.00 -1.50 0.00 0.00 33.47 27.94 2gmg s TRP 94 CO 0.19 -1.37 -0.16 0.42 -4.62 0.00 0.00 176.95 171.41 2gmg s ILE 95 N 1.91 2.88 -0.10 5.86 1.09 -1.26 -2.38 121.20 129.20 2gmg s ILE 95 Ca 0.32 -0.78 -0.16 0.00 -1.10 0.00 0.00 60.65 58.93 2gmg s ILE 95 Cb -0.06 -2.12 -0.05 0.00 -1.06 0.00 0.00 42.46 39.18 2gmg s ILE 95 CO -0.08 0.58 0.39 -1.61 -0.10 0.00 0.00 174.94 174.12 2gmg s GLU 96 N -0.56 4.18 0.29 2.79 2.02 -0.09 -4.99 118.70 122.34 2gmg s GLU 96 Ca 0.08 0.31 -0.28 0.00 0.02 0.00 0.00 54.97 55.10 2gmg s GLU 96 Cb -0.11 -3.37 -0.09 0.00 0.10 0.00 0.00 34.13 30.65 2gmg s GLU 96 CO 0.01 0.34 0.95 -1.21 0.02 0.00 0.00 175.26 175.37 2gmg s GLU 97 N 0.08 4.70 0.83 1.61 2.02 -1.26 -3.77 118.70 122.90 2gmg s GLU 97 Ca 0.22 1.42 -0.11 0.00 0.02 0.00 0.00 54.97 56.52 2gmg s GLU 97 Cb -0.15 -3.02 0.09 0.00 0.10 0.00 0.00 34.13 31.15 2gmg s GLU 97 CO 0.09 0.37 1.09 -2.14 0.02 0.00 0.00 175.26 174.69 2gmg s PRO 98 N -1.66 1.82 -0.12 0.39 0.02 -1.26 -4.90 135.00 129.30 2gmg s PRO 98 Ca 0.46 0.88 -0.01 0.00 0.02 0.00 0.00 61.00 62.35 2gmg s PRO 98 Cb -0.22 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 2gmg s PRO 98 CO 0.28 -1.87 -0.07 1.03 -0.33 0.00 0.00 177.00 176.05 2gmg s ARG 99 N -4.98 3.26 -0.15 5.54 0.52 -1.26 -4.93 118.95 116.96 2gmg s ARG 99 Ca 0.62 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 55.27 2gmg s ARG 99 Cb -0.17 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 2gmg s ARG 99 CO 0.56 0.40 -0.16 -0.06 0.02 0.00 0.00 175.30 176.06 2gmg s PHE 100 N -0.10 2.76 0.04 -0.53 0.08 -1.26 -2.56 117.98 116.41 2gmg s PHE 100 Ca 0.01 -1.00 -0.01 0.00 0.12 0.00 0.00 56.93 56.05 2gmg s PHE 100 Cb -0.13 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 2gmg s PHE 100 CO 0.03 -0.44 -0.02 0.15 -0.10 0.00 0.00 175.22 174.84 2gmg s LYS 101 N 0.71 0.52 -0.08 0.44 1.02 -1.21 -4.58 119.74 116.55 2gmg s LYS 101 Ca -0.07 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 54.94 2gmg s LYS 101 Cb -0.16 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2gmg s LYS 101 CO 0.01 -0.10 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.63 2gmg s LEU 102 N -2.45 1.99 -0.00 3.17 1.02 -1.25 -2.91 118.68 118.24 2gmg s LEU 102 Ca -0.00 -0.49 0.08 0.00 0.02 0.00 0.00 54.13 53.73 2gmg s LEU 102 Cb 0.02 -1.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.95 2gmg s LEU 102 CO -0.07 0.15 -0.24 -1.61 0.02 0.00 0.00 176.35 174.60 2gmg s GLU 103 N 0.31 1.85 -0.30 1.70 2.02 -1.24 -4.73 118.70 118.29 2gmg s GLU 103 Ca -0.15 -0.89 -0.17 0.00 0.02 0.00 0.00 54.97 53.78 2gmg s GLU 103 Cb -0.16 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 2gmg s GLU 103 CO 0.07 0.50 0.45 1.03 0.02 0.00 0.00 175.26 177.33 2gmg s ARG 104 N -0.71 3.83 0.00 1.61 0.52 -1.26 -3.98 118.95 118.96 2gmg s ARG 104 Ca 0.09 -0.02 0.09 0.00 -0.52 0.00 0.00 55.73 55.37 2gmg s ARG 104 Cb -0.09 -3.73 0.07 0.00 0.52 0.00 0.00 34.95 31.72 2gmg s ARG 104 CO -0.00 -0.45 0.79 1.63 0.02 0.00 0.00 175.30 177.28