#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 2.74 -0.13 0.00 0.09 -1.26 -5.13 115.29 111.60 2gmg s HIS 2 Ca 0.00 -0.46 -0.01 0.00 -0.00 0.00 0.00 55.06 54.58 2gmg s HIS 2 Cb 0.00 -1.74 -0.02 0.00 -0.00 0.00 0.00 32.58 30.82 2gmg s HIS 2 CO 0.00 -0.06 -0.09 -1.01 -0.00 0.00 0.00 174.74 173.59 2gmg s HIS 3 N -0.11 2.91 -0.19 1.40 0.09 -1.26 -5.12 115.29 113.01 2gmg s HIS 3 Ca -0.02 -0.45 -0.02 0.00 -0.00 0.00 0.00 55.06 54.58 2gmg s HIS 3 Cb -0.14 -1.88 -0.01 0.00 -0.00 0.00 0.00 32.58 30.56 2gmg s HIS 3 CO 0.04 -0.09 -0.09 -3.38 -0.00 0.00 0.00 174.74 171.21 2gmg s HIS 4 N 0.26 2.89 -0.08 1.40 -0.00 -1.26 -5.13 115.29 113.37 2gmg s HIS 4 Ca -0.06 -0.94 0.03 0.00 -0.00 0.00 0.00 55.06 54.08 2gmg s HIS 4 Cb -0.15 -2.00 -0.02 0.00 -0.00 0.00 0.00 32.58 30.42 2gmg s HIS 4 CO 0.04 -0.48 -0.16 -1.01 -0.00 0.00 0.00 174.74 173.14 2gmg s HIS 5 N 1.09 2.70 0.30 0.38 4.02 -1.26 -5.04 115.29 117.48 2gmg s HIS 5 Ca 0.00 -0.41 0.00 0.00 1.02 0.00 0.00 55.06 55.68 2gmg s HIS 5 Cb -0.15 -1.70 0.00 0.00 -1.02 0.00 0.00 32.58 29.72 2gmg s HIS 5 CO -0.02 -0.01 0.00 0.72 1.02 0.00 0.00 174.74 176.45 2gmg n HIS 6 N 2.81 -3.15 -4.03 1.40 -0.00 -1.26 -5.03 115.22 105.96 2gmg n HIS 6 Ca -0.18 1.65 -0.35 0.00 -0.00 0.00 0.00 57.72 58.85 2gmg n HIS 6 Cb 0.52 -2.88 -0.11 0.00 -0.00 0.00 0.00 29.99 27.53 2gmg n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2gmg s HIS 7 N -2.23 3.17 -0.00 4.41 0.09 -1.26 -5.12 115.29 114.36 2gmg s HIS 7 Ca 0.00 -0.10 0.06 0.00 -0.00 0.00 0.00 55.06 55.03 2gmg s HIS 7 Cb 0.00 -2.09 -0.02 0.00 -0.00 0.00 0.00 32.58 30.47 2gmg s HIS 7 CO 0.00 0.01 -0.20 0.20 -0.00 0.00 0.00 174.74 174.75 2gmg s GLY 8 N 0.64 0.99 0.22 -2.22 0.00 -1.26 -5.06 107.32 100.63 2gmg s GLY 8 Ca 0.02 -0.89 0.14 0.00 0.00 0.00 0.00 44.72 43.99 2gmg s GLY 8 CO 0.02 -0.76 1.34 1.76 0.00 0.00 0.00 173.10 175.45 2gmg h SER 9 N 5.48 0.00 0.81 1.64 0.02 -2.01 -3.27 113.55 116.23 2gmg h SER 9 Ca -0.39 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.38 2gmg h SER 9 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2gmg h SER 9 CO 0.47 0.62 -0.84 0.00 -1.14 0.00 0.00 176.83 175.94 2gmg h ALA 10 N 1.38 0.62 -0.07 3.77 0.00 -2.01 -3.32 119.26 119.63 2gmg h ALA 10 Ca -0.03 -0.75 -0.19 0.00 0.00 0.00 0.00 54.91 53.94 2gmg h ALA 10 Cb 1.49 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2gmg h ALA 10 CO 0.08 1.03 -0.69 1.79 0.00 0.00 0.00 179.25 181.46 2gmg h THR 11 N 0.01 1.35 -0.99 0.00 1.35 -1.99 -2.98 112.91 109.65 2gmg h THR 11 Ca -0.01 -2.00 0.16 0.00 -0.55 0.00 0.00 66.41 64.01 2gmg h THR 11 Cb 1.47 2.29 -0.09 0.00 -1.73 0.00 0.00 68.15 70.09 2gmg h THR 11 CO 0.11 0.61 0.62 0.03 -0.25 0.00 0.00 175.52 176.63 2gmg h ARG 12 N 0.20 0.82 -0.21 4.72 3.08 -1.68 0.85 114.38 122.17 2gmg h ARG 12 Ca -0.07 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 2gmg h ARG 12 Cb 1.35 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2gmg h ARG 12 CO 0.14 0.54 -0.48 0.00 -1.07 0.00 0.00 179.97 179.10 2gmg h ARG 13 N 0.85 0.55 -0.25 0.04 3.08 -1.66 -3.23 114.38 113.76 2gmg h ARG 13 Ca 0.53 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 2gmg h ARG 13 Cb 0.72 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2gmg h ARG 13 CO -0.31 0.91 -0.13 0.93 -1.07 0.00 0.00 179.97 180.31 2gmg h GLU 14 N 0.44 0.41 -0.50 0.04 5.08 -1.17 -3.11 114.58 115.78 2gmg h GLU 14 Ca 0.02 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2gmg h GLU 14 Cb 1.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2gmg h GLU 14 CO 0.09 0.55 -0.02 0.87 -1.00 0.00 0.00 179.01 179.49 2gmg h LYS 15 N 0.39 0.85 -0.06 2.33 1.57 -0.89 -2.12 116.57 118.63 2gmg h LYS 15 Ca 0.07 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2gmg h LYS 15 Cb 0.46 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2gmg h LYS 15 CO 0.03 0.86 0.02 0.82 -0.57 0.00 0.00 179.45 180.61 2gmg h ILE 16 N 0.78 1.13 0.00 1.86 2.04 -1.57 -1.72 117.51 120.03 2gmg h ILE 16 Ca 0.15 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2gmg h ILE 16 Cb 0.50 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2gmg h ILE 16 CO 0.03 0.10 0.00 -0.29 0.00 0.00 0.00 178.15 177.99 2gmg h ILE 17 N -0.05 0.00 0.05 -0.67 6.09 -1.54 -2.72 117.51 118.68 2gmg h ILE 17 Ca 0.02 -0.31 -0.38 0.00 -1.37 0.00 0.00 64.86 62.83 2gmg h ILE 17 Cb 0.15 1.14 -0.05 0.00 0.47 0.00 0.00 36.82 38.53 2gmg h ILE 17 CO -0.00 0.00 -2.20 -0.62 -3.07 0.00 0.00 178.15 172.26 2gmg n GLU 18 N -2.63 0.68 0.01 2.19 1.02 -0.80 -4.40 120.64 116.70 2gmg n GLU 18 Ca 0.01 0.24 -0.08 0.00 -0.02 0.00 0.00 57.16 57.31 2gmg n GLU 18 Cb 0.23 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 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 -0.14 0.00 -0.00 -4.62 6.46 -1.41 -3.39 115.31 112.20 2gmg h LEU 19 Ca -0.51 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 2gmg h LEU 19 Cb 1.88 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 2gmg h LEU 19 CO -0.06 1.00 -0.03 0.18 -0.62 0.00 0.00 178.44 178.91 2gmg n LEU 20 N -3.14 0.03 0.08 2.25 7.99 -1.02 -3.52 117.00 119.66 2gmg n LEU 20 Ca -0.11 0.46 0.12 0.00 -0.01 0.00 0.00 56.01 56.47 2gmg n LEU 20 Cb 1.02 -0.47 0.27 0.00 -0.11 0.00 0.00 43.42 44.12 2gmg n LEU 20 CO 0.46 0.01 0.59 -0.11 -1.51 0.00 0.00 177.39 176.82 2gmg n LEU 21 N -1.48 0.77 -0.09 2.23 0.00 -1.26 -3.88 117.00 113.29 2gmg n LEU 21 Ca 0.07 0.39 -0.08 0.00 0.00 0.00 0.00 56.01 56.40 2gmg n LEU 21 Cb 0.33 -0.24 -0.16 0.00 0.00 0.00 0.00 43.42 43.35 2gmg n LEU 21 CO 0.27 -0.12 -1.10 -0.62 0.00 0.00 0.00 177.39 175.82 2gmg n GLU 22 N -2.20 0.69 -3.85 1.96 1.02 -1.24 -4.96 120.64 112.06 2gmg n GLU 22 Ca 0.04 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 2gmg n GLU 22 Cb 0.44 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2gmg n GLU 22 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2gmg s GLY 23 N -5.38 0.31 -0.19 0.62 0.00 -1.23 -5.18 107.32 96.28 2gmg s GLY 23 Ca -0.10 -0.68 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 2gmg s GLY 23 CO 0.84 -0.30 0.01 0.51 0.00 0.00 0.00 173.10 174.16 2gmg s ASP 24 N -3.04 5.04 -0.00 1.64 -4.77 -1.26 -4.34 116.67 109.93 2gmg s ASP 24 Ca 0.15 -0.12 0.02 0.00 -3.30 0.00 0.00 52.55 49.30 2gmg s ASP 24 Cb -0.05 -1.86 -0.00 0.00 -1.09 0.00 0.00 42.92 39.92 2gmg s ASP 24 CO 0.11 0.11 -0.06 -0.31 0.70 0.00 0.00 175.17 175.72 2gmg s TYR 25 N 0.75 0.51 0.70 2.11 2.02 -1.26 -5.08 117.35 117.09 2gmg s TYR 25 Ca 0.01 -0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.49 2gmg s TYR 25 Cb -0.14 -0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.10 2gmg s TYR 25 CO 0.02 -0.01 1.07 -1.12 -1.57 0.00 0.00 175.55 173.94 2gmg s SER 26 N -0.16 5.45 0.19 2.29 0.01 -1.26 -4.46 113.70 115.76 2gmg s SER 26 Ca 0.02 1.42 -0.14 0.00 1.31 0.00 0.00 55.95 58.56 2gmg s SER 26 Cb -0.02 -2.30 0.19 0.00 0.21 0.00 0.00 66.02 64.10 2gmg s SER 26 CO -0.00 -1.37 1.66 -0.65 0.41 0.00 0.00 173.24 173.28 2gmg h PRO 27 N -0.67 0.05 -0.45 12.44 0.11 -1.95 0.19 132.00 141.71 2gmg h PRO 27 Ca -0.45 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 2gmg h PRO 27 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2gmg h PRO 27 CO 0.60 0.03 0.30 0.66 -0.21 0.00 0.00 178.00 179.38 2gmg h SER 28 N 0.05 0.45 0.09 -2.05 4.64 -1.95 -2.70 113.55 112.09 2gmg h SER 28 Ca 0.26 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.42 2gmg h SER 28 Cb 0.40 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2gmg h SER 28 CO -0.49 0.32 -0.53 -0.33 -0.87 0.00 0.00 176.83 174.92 2gmg h GLU 29 N 0.53 0.48 0.00 4.77 5.08 -1.65 -2.55 114.58 121.23 2gmg h GLU 29 Ca 0.18 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2gmg h GLU 29 Cb 0.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2gmg h GLU 29 CO -0.04 0.89 0.00 1.28 -1.00 0.00 0.00 179.01 180.14 2gmg n LEU 30 N -3.96 0.00 -0.10 1.33 4.77 -0.05 -2.72 117.00 116.28 2gmg n LEU 30 Ca -0.03 0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 2gmg n LEU 30 Cb 0.59 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2gmg n LEU 30 CO 0.46 -0.28 -1.17 0.00 -1.33 0.00 0.00 177.39 175.06 2gmg n ALA 31 N -1.48 1.45 0.04 -1.18 0.00 -1.10 -4.57 120.51 113.67 2gmg n ALA 31 Ca 0.03 -1.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.15 2gmg n ALA 31 Cb 0.13 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.04 -5.16 0.00 3.08 -1.25 -3.32 114.38 107.68 2gmg h ARG 32 Ca -0.54 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.81 2gmg h ARG 32 Cb 2.10 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 32.07 2gmg h ARG 32 CO -0.01 0.07 2.24 1.51 -1.07 0.00 0.00 179.97 182.72 2gmg n ILE 33 N -5.06 3.93 0.00 2.04 0.13 -1.11 -4.89 119.36 114.40 2gmg n ILE 33 Ca -0.08 -4.01 0.00 0.00 -1.10 0.00 0.00 62.75 57.56 2gmg n ILE 33 Cb 0.09 -2.42 0.00 0.00 -0.84 0.00 0.00 39.64 36.47 2gmg n ILE 33 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 2gmg n LEU 34 N 7.21 0.00 -4.30 9.51 7.94 -1.25 -4.91 117.00 131.20 2gmg n LEU 34 Ca 0.47 0.00 -0.45 0.00 -1.11 0.00 0.00 56.01 54.92 2gmg n LEU 34 Cb 0.43 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.36 2gmg n LEU 34 CO 0.77 0.00 0.41 -1.81 -1.11 0.00 0.00 177.39 175.65 2gmg s ASP 35 N 0.00 6.60 -0.05 1.96 1.01 -1.26 -5.06 116.67 119.87 2gmg s ASP 35 Ca 0.00 -2.82 0.04 0.00 0.71 0.00 0.00 52.55 50.48 2gmg s ASP 35 Cb 0.00 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 2gmg s ASP 35 CO 0.00 -0.51 -0.16 -0.04 0.21 0.00 0.00 175.17 174.67 2gmg s MET 36 N -0.04 2.46 -0.23 8.23 -1.94 -1.26 -5.05 119.30 121.48 2gmg s MET 36 Ca 0.19 -0.74 0.11 0.00 -1.71 0.00 0.00 55.69 53.54 2gmg s MET 36 Cb -0.11 -2.33 -0.22 0.00 2.01 0.00 0.00 34.83 34.19 2gmg s MET 36 CO -0.08 0.60 -0.06 0.54 -0.01 0.00 0.00 175.02 176.01 2gmg n ARG 37 N 2.37 0.67 0.00 2.03 1.74 -1.26 -5.07 116.66 117.15 2gmg n ARG 37 Ca -0.17 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2gmg n ARG 37 Cb 0.52 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 1.97 0.46 0.08 -0.13 0.00 -1.26 -5.11 105.19 101.20 2gmg n GLY 38 Ca -0.39 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 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 0.23 0.00 1.61 5.02 -1.26 -5.10 118.16 118.66 2gmg n LYS 39 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2gmg n LYS 39 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 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 3.02 2.11 0.00 0.72 0.00 -1.26 -5.10 105.19 104.67 2gmg n GLY 40 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2gmg n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gmg n SER 41 N 0.00 3.52 0.15 1.61 7.64 -1.26 -4.77 113.62 120.52 2gmg n SER 41 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2gmg n SER 41 Cb 0.00 0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 2gmg n SER 41 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2gmg h LYS 42 N 0.00 -0.44 -0.04 1.43 1.57 -1.99 -3.15 116.57 113.95 2gmg h LYS 42 Ca 0.00 0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 2gmg h LYS 42 Cb 0.24 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2gmg h LYS 42 CO 0.00 -0.29 -0.73 0.87 -0.57 0.00 0.00 179.45 178.73 2gmg h LYS 43 N -0.95 0.25 -0.56 3.15 1.57 -2.00 -3.18 116.57 114.85 2gmg h LYS 43 Ca -0.05 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 2gmg h LYS 43 Cb 0.35 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2gmg h LYS 43 CO 0.08 0.87 0.14 0.28 -0.57 0.00 0.00 179.45 180.25 2gmg h VAL 44 N 0.17 1.25 -0.37 0.50 2.07 -1.86 -2.72 116.25 115.28 2gmg h VAL 44 Ca -0.03 -0.87 -0.16 0.00 0.82 0.00 0.00 66.70 66.46 2gmg h VAL 44 Cb 1.29 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2gmg h VAL 44 CO 0.11 0.32 -0.39 -0.29 0.02 0.00 0.00 177.57 177.35 2gmg h ILE 45 N 0.80 1.27 -0.84 4.57 6.09 -1.64 -2.69 117.51 125.08 2gmg h ILE 45 Ca 0.18 -1.56 -0.03 0.00 -1.37 0.00 0.00 64.86 62.08 2gmg h ILE 45 Cb 0.33 1.39 -0.04 0.00 0.47 0.00 0.00 36.82 38.98 2gmg h ILE 45 CO 0.00 0.52 0.42 -0.07 -3.07 0.00 0.00 178.15 175.95 2gmg h LEU 46 N 0.74 1.09 -0.69 2.19 3.38 -1.54 -0.95 115.31 119.53 2gmg h LEU 46 Ca 0.06 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2gmg h LEU 46 Cb 0.98 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2gmg h LEU 46 CO 0.09 0.91 -0.66 -0.33 0.09 0.00 0.00 178.44 178.54 2gmg h GLU 47 N 1.19 0.00 -0.25 1.13 5.08 -1.55 -3.02 114.58 117.17 2gmg h GLU 47 Ca 0.29 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2gmg h GLU 47 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2gmg h GLU 47 CO -0.04 0.66 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.99 2gmg h ASP 48 N 0.00 0.45 -0.06 1.42 3.32 -1.19 -3.18 116.42 117.17 2gmg h ASP 48 Ca -0.01 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 2gmg h ASP 48 Cb 1.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2gmg h ASP 48 CO 0.09 0.66 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.95 2gmg h LEU 49 N 0.41 0.48 -1.05 1.55 3.38 -1.10 -2.07 115.31 116.92 2gmg h LEU 49 Ca 0.07 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2gmg h LEU 49 Cb 0.58 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2gmg h LEU 49 CO 0.04 0.73 0.13 0.11 0.09 0.00 0.00 178.44 179.54 2gmg h LYS 50 N 0.43 0.81 0.07 1.13 1.57 -1.51 -0.52 116.57 118.55 2gmg h LYS 50 Ca 0.06 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 2gmg h LYS 50 Cb 0.66 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.86 2gmg h LYS 50 CO 0.05 0.73 -0.69 -0.39 -0.57 0.00 0.00 179.45 178.58 2gmg h VAL 51 N 0.79 1.47 -0.51 0.50 -1.51 -1.58 -3.34 116.25 112.08 2gmg h VAL 51 Ca 0.17 -2.30 -0.07 0.00 -1.23 0.00 0.00 66.70 63.28 2gmg h VAL 51 Cb 0.28 2.90 -0.02 0.00 -2.13 0.00 0.00 31.29 32.32 2gmg h VAL 51 CO -0.00 0.66 0.04 0.40 -1.23 0.00 0.00 177.57 177.43 2gmg h ILE 52 N -0.25 1.26 -0.49 7.19 2.04 -1.39 -3.17 117.51 122.70 2gmg h ILE 52 Ca -0.11 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 64.82 2gmg h ILE 52 Cb 1.46 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2gmg h ILE 52 CO 0.13 0.36 0.33 0.77 0.00 0.00 0.00 178.15 179.75 2gmg h SER 53 N 0.74 0.28 0.23 1.72 4.64 -1.26 0.48 113.55 120.37 2gmg h SER 53 Ca 0.15 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.27 2gmg h SER 53 Cb 0.47 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2gmg h SER 53 CO 0.02 0.17 -0.82 0.11 -0.87 0.00 0.00 176.83 175.44 2gmg h LYS 54 N 0.31 0.47 0.23 4.77 1.57 -1.66 -3.09 116.57 119.16 2gmg h LYS 54 Ca 0.22 -0.42 -0.33 0.00 -1.87 0.00 0.00 60.65 58.25 2gmg h LYS 54 Cb 0.48 0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.92 2gmg h LYS 54 CO -0.05 1.07 -1.45 0.82 -0.57 0.00 0.00 179.45 179.26 2gmg h ILE 55 N 0.30 1.31 -0.03 1.86 2.04 -1.50 -3.29 117.51 118.19 2gmg h ILE 55 Ca -0.05 -2.76 -0.03 0.00 1.00 0.00 0.00 64.86 63.01 2gmg h ILE 55 Cb 1.43 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 40.52 2gmg h ILE 55 CO 0.15 0.83 -0.11 0.00 0.00 0.00 0.00 178.15 179.02 2gmg h ALA 56 N 0.23 1.76 0.08 1.87 0.00 -1.01 -0.38 119.26 121.82 2gmg h ALA 56 Ca -0.24 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.26 2gmg h ALA 56 Cb 2.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2gmg h ALA 56 CO 0.26 0.18 -1.50 0.87 0.00 0.00 0.00 179.25 179.06 2gmg h LYS 57 N 0.05 0.17 0.00 0.00 1.57 -1.64 0.09 116.57 116.81 2gmg h LYS 57 Ca 0.01 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 2gmg h LYS 57 Cb 0.22 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2gmg h LYS 57 CO 0.01 0.99 -0.43 0.00 -0.57 0.00 0.00 179.45 179.45 2gmg h ARG 58 N 0.05 0.00 -0.11 3.15 3.08 -1.60 -2.90 114.38 116.04 2gmg h ARG 58 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2gmg h ARG 58 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 2gmg h ARG 58 CO 0.14 0.43 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 2gmg n GLU 59 N -4.01 1.44 -2.98 0.04 1.02 -0.16 -4.97 120.64 111.03 2gmg n GLU 59 Ca -0.02 -0.67 -0.20 0.00 -0.02 0.00 0.00 57.16 56.26 2gmg n GLU 59 Cb 0.46 -1.33 0.04 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.97 -0.39 3.33 0.62 0.00 -1.09 -5.05 105.19 103.57 2gmg n GLY 60 Ca 0.14 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.62 1.86 -0.19 1.61 1.00 0.02 -4.86 119.30 113.12 2gmg s MET 61 Ca 0.29 -1.05 -0.03 0.00 0.00 0.00 0.00 55.69 54.89 2gmg s MET 61 Cb -0.13 -1.97 -0.02 0.00 0.00 0.00 0.00 34.83 32.71 2gmg s MET 61 CO 0.36 0.52 -0.05 0.14 0.00 0.00 0.00 175.02 175.99 2gmg s VAL 62 N -0.75 3.54 -0.25 -6.03 -7.23 -1.26 -3.81 120.40 104.61 2gmg s VAL 62 Ca 0.11 -0.46 -0.10 0.00 -1.81 0.00 0.00 61.98 59.72 2gmg s VAL 62 Cb -0.10 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 2gmg s VAL 62 CO 0.01 0.45 0.16 -0.76 -0.31 0.00 0.00 175.10 174.65 2gmg s LEU 63 N 0.98 4.00 -0.20 1.32 1.43 -1.26 -4.03 118.68 120.92 2gmg s LEU 63 Ca 0.00 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 2gmg s LEU 63 Cb -0.15 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 2gmg s LEU 63 CO 0.01 0.02 -0.01 -0.76 0.23 0.00 0.00 176.35 175.84 2gmg s LEU 64 N 1.33 3.24 -0.20 1.79 1.43 -1.23 -5.02 118.68 120.02 2gmg s LEU 64 Ca 0.07 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2gmg s LEU 64 Cb -0.15 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2gmg s LEU 64 CO 0.07 0.07 0.05 -0.63 0.23 0.00 0.00 176.35 176.14 2gmg s ILE 65 N 0.94 4.54 0.04 -0.59 1.09 -1.26 -3.53 121.20 122.44 2gmg s ILE 65 Ca 0.01 -0.11 -0.30 0.00 -1.10 0.00 0.00 60.65 59.14 2gmg s ILE 65 Cb -0.14 -3.06 -0.04 0.00 -1.06 0.00 0.00 42.46 38.15 2gmg s ILE 65 CO 0.02 0.43 1.05 -0.54 -0.10 0.00 0.00 174.94 175.80 2gmg s LYS 66 N 0.69 4.53 0.04 2.79 1.02 -0.96 -4.88 119.74 122.97 2gmg s LYS 66 Ca 0.03 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.26 2gmg s LYS 66 Cb -0.13 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.69 2gmg s LYS 66 CO 0.02 -0.09 1.68 -2.14 -0.92 0.00 0.00 175.35 173.90 2gmg s PRO 67 N 0.89 4.19 0.35 -1.68 0.02 -1.26 -4.07 135.00 133.44 2gmg s PRO 67 Ca 0.54 2.33 -0.29 0.00 0.02 0.00 0.00 61.00 63.60 2gmg s PRO 67 Cb -0.24 -3.73 -0.11 0.00 0.02 0.00 0.00 34.50 30.44 2gmg s PRO 67 CO 0.29 -0.78 1.45 0.00 -0.33 0.00 0.00 177.00 177.63 2gmg s ALA 68 N 3.10 3.58 0.02 -1.55 0.00 -1.24 -4.90 121.76 120.77 2gmg s ALA 68 Ca 0.75 1.48 0.01 0.00 0.00 0.00 0.00 51.96 54.20 2gmg s ALA 68 Cb -0.39 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.14 2gmg s ALA 68 CO 0.33 -0.93 -0.04 -1.14 0.00 0.00 0.00 175.76 173.98 2gmg s GLN 69 N -1.75 0.34 -0.30 0.00 0.74 -1.25 -2.64 119.66 114.81 2gmg s GLN 69 Ca 0.53 -0.51 -0.20 0.00 0.05 0.00 0.00 55.36 55.24 2gmg s GLN 69 Cb -0.45 -0.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.56 2gmg s GLN 69 CO 0.58 0.01 0.60 0.00 -0.55 0.00 0.00 175.29 175.92 2gmg n ARG 71 N 5.80 0.05 -0.08 0.00 1.74 -1.22 -2.52 116.66 120.43 2gmg n ARG 71 Ca -0.02 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2gmg n ARG 71 Cb 0.49 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.61 0.64 -0.03 5.56 5.02 -1.26 -4.60 118.16 121.87 2gmg n LYS 72 Ca 0.05 0.36 -0.04 0.00 -2.02 0.00 0.00 58.31 56.67 2gmg n LYS 72 Cb 0.35 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.54 3.33 3.65 0.00 0.00 -1.05 -5.07 105.19 107.59 2gmg n GLY 74 Ca -0.19 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.64 1.83 -3.62 1.61 -0.00 -1.25 -4.75 117.46 109.64 2gmg n PHE 75 Ca 0.00 0.53 -0.38 0.00 -0.00 0.00 0.00 57.45 57.61 2gmg n PHE 75 Cb 0.00 -2.42 -0.11 0.00 -0.00 0.00 0.00 39.48 36.95 2gmg n PHE 75 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 2gmg s VAL 76 N 1.95 5.22 0.03 -2.13 1.01 -1.26 -1.64 120.40 123.58 2gmg s VAL 76 Ca 0.90 0.14 0.01 0.00 0.00 0.00 0.00 61.98 63.02 2gmg s VAL 76 Cb -0.97 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2gmg s VAL 76 CO 0.54 0.27 0.10 -0.36 0.00 0.00 0.00 175.10 175.65 2gmg s PHE 77 N 1.65 3.30 0.32 5.22 0.40 -1.08 -5.04 117.98 122.75 2gmg s PHE 77 Ca 0.07 0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 56.29 2gmg s PHE 77 Cb -0.16 -1.71 -0.10 0.00 0.51 0.00 0.00 43.02 41.56 2gmg s PHE 77 CO 0.09 0.55 1.36 0.15 0.70 0.00 0.00 175.22 178.08 2gmg s LYS 78 N -2.07 4.30 -0.29 0.44 1.02 -1.26 -3.64 119.74 118.24 2gmg s LYS 78 Ca 0.27 2.28 -0.32 0.00 0.02 0.00 0.00 55.97 58.22 2gmg s LYS 78 Cb -0.12 -3.07 -0.08 0.00 -0.52 0.00 0.00 37.83 34.04 2gmg s LYS 78 CO 0.19 -0.28 2.21 0.00 -0.92 0.00 0.00 175.35 176.55 2gmg n ALA 79 N 1.12 1.40 -2.59 5.17 0.00 -1.26 -4.54 120.51 119.81 2gmg n ALA 79 Ca 0.02 -0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 2gmg n ALA 79 Cb 0.41 -2.73 -0.10 0.00 0.00 0.00 0.00 19.45 17.03 2gmg n ALA 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2gmg s GLU 80 N 6.34 2.03 0.00 0.00 2.02 -1.26 -4.99 118.70 122.83 2gmg s GLU 80 Ca 1.06 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 53.97 2gmg s GLU 80 Cb -0.61 -1.70 0.00 0.00 0.10 0.00 0.00 34.13 31.92 2gmg s GLU 80 CO 0.42 -0.08 0.00 0.44 0.02 0.00 0.00 175.26 176.06 2gmg n ILE 81 N -1.04 0.00 -1.69 -1.63 -6.64 -1.26 -4.77 119.36 102.33 2gmg n ILE 81 Ca -0.05 0.00 -0.40 0.00 -1.77 0.00 0.00 62.75 60.53 2gmg n ILE 81 Cb 0.67 -0.57 0.03 0.00 -1.44 0.00 0.00 39.64 38.33 2gmg n ILE 81 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 2gmg n ASN 82 N -0.25 2.19 -4.71 7.28 0.23 -1.26 -5.00 115.26 113.74 2gmg n ASN 82 Ca 0.00 1.01 -0.35 0.00 -0.53 0.00 0.00 54.58 54.71 2gmg n ASN 82 Cb 0.00 -1.49 -0.08 0.00 -2.08 0.00 0.00 39.78 36.12 2gmg n ASN 82 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2gmg s ILE 83 N -1.28 5.16 0.29 1.53 1.01 -1.26 -5.11 121.20 121.53 2gmg s ILE 83 Ca 0.67 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 2gmg s ILE 83 Cb -0.47 -3.33 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 2gmg s ILE 83 CO 0.54 0.48 1.21 -2.84 0.00 0.00 0.00 174.94 174.32 2gmg s PRO 84 N 0.15 4.49 0.33 2.79 0.02 -1.26 -5.00 135.00 136.52 2gmg s PRO 84 Ca 0.07 2.01 0.08 0.00 0.02 0.00 0.00 61.00 63.18 2gmg s PRO 84 Cb -0.12 -3.14 0.60 0.00 0.02 0.00 0.00 34.50 31.86 2gmg s PRO 84 CO -0.00 -0.02 1.80 0.77 -0.33 0.00 0.00 177.00 179.22 2gmg h SER 85 N 3.83 0.26 -2.66 2.53 0.02 -2.02 -3.43 113.55 112.08 2gmg h SER 85 Ca -0.47 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.28 2gmg h SER 85 Cb 1.22 -0.07 -0.28 0.00 0.14 0.00 0.00 62.40 63.41 2gmg h SER 85 CO 0.67 0.53 -0.39 -0.13 -1.14 0.00 0.00 176.83 176.38 2gmg s ARG 86 N -4.44 0.30 0.75 3.45 0.52 -1.26 -5.04 118.95 113.23 2gmg s ARG 86 Ca -0.05 0.96 -0.14 0.00 -0.52 0.00 0.00 55.73 55.97 2gmg s ARG 86 Cb 0.14 0.23 0.05 0.00 0.52 0.00 0.00 34.95 35.89 2gmg s ARG 86 CO 0.76 -0.25 1.21 0.00 0.02 0.00 0.00 175.30 177.04 2gmg h PRO 88 N -0.47 0.15 -6.53 0.00 0.11 -2.03 -3.41 132.00 119.82 2gmg h PRO 88 Ca -0.47 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.95 2gmg h PRO 88 Cb 1.30 -0.03 -0.29 0.00 0.11 0.00 0.00 31.00 32.08 2gmg h PRO 88 CO 0.49 0.10 -0.88 -1.59 -0.21 0.00 0.00 178.00 175.91 2gmg s LYS 89 N -6.16 1.94 0.23 1.05 -2.85 -1.26 -5.05 119.74 107.64 2gmg s LYS 89 Ca -0.13 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 2gmg s LYS 89 Cb 0.15 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 2gmg s LYS 89 CO 0.72 0.52 0.00 0.00 0.10 0.00 0.00 175.35 176.69 2gmg n LYS 91 N -0.03 3.58 -1.83 0.00 2.85 -1.26 -3.95 118.16 117.50 2gmg n LYS 91 Ca 0.00 -4.19 -0.42 0.00 -1.05 0.00 0.00 58.31 52.65 2gmg n LYS 91 Cb 0.00 -2.28 -0.03 0.00 -0.65 0.00 0.00 35.03 32.07 2gmg n LYS 91 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2gmg s SER 92 N -3.55 6.52 0.00 -5.58 0.15 -1.26 -4.93 113.70 105.05 2gmg s SER 92 Ca 0.51 2.62 0.27 0.00 0.70 0.00 0.00 55.95 60.04 2gmg s SER 92 Cb 0.41 -2.57 1.15 0.00 -1.71 0.00 0.00 66.02 63.31 2gmg s SER 92 CO 0.01 -0.93 1.79 -0.62 1.20 0.00 0.00 173.24 174.69 2gmg n GLU 93 N 5.48 1.52 -3.57 5.44 1.02 -1.26 -4.59 120.64 124.67 2gmg n GLU 93 Ca 0.16 -0.76 -0.40 0.00 -0.02 0.00 0.00 57.16 56.14 2gmg n GLU 93 Cb 0.39 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 2gmg n GLU 93 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2gmg s TRP 94 N -1.96 3.54 0.03 -0.32 0.51 -1.26 -5.04 118.94 114.44 2gmg s TRP 94 Ca 0.38 -2.43 0.06 0.00 -2.12 0.00 0.00 56.10 51.99 2gmg s TRP 94 Cb 0.20 -3.44 -0.02 0.00 -0.81 0.00 0.00 33.47 29.40 2gmg s TRP 94 CO 0.32 -0.90 -0.18 0.42 -0.51 0.00 0.00 176.95 176.10 2gmg s ILE 95 N 0.03 1.42 -0.07 2.03 1.01 -1.26 -3.44 121.20 120.93 2gmg s ILE 95 Ca 0.17 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 2gmg s ILE 95 Cb -0.17 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2gmg s ILE 95 CO -0.05 0.20 0.77 -1.61 0.00 0.00 0.00 174.94 174.25 2gmg s GLU 96 N -0.95 4.44 0.10 2.79 2.02 -0.16 -4.97 118.70 121.97 2gmg s GLU 96 Ca 0.06 1.01 -0.30 0.00 0.02 0.00 0.00 54.97 55.75 2gmg s GLU 96 Cb -0.08 -3.47 -0.06 0.00 0.10 0.00 0.00 34.13 30.63 2gmg s GLU 96 CO 0.01 -0.01 1.03 -1.21 0.02 0.00 0.00 175.26 175.09 2gmg s GLU 97 N 1.03 4.62 0.69 1.61 2.02 -1.26 -3.75 118.70 123.67 2gmg s GLU 97 Ca 0.41 1.55 -0.16 0.00 0.02 0.00 0.00 54.97 56.78 2gmg s GLU 97 Cb -0.18 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.70 2gmg s GLU 97 CO 0.19 0.08 1.21 -2.14 0.02 0.00 0.00 175.26 174.62 2gmg s PRO 98 N 0.22 2.36 -0.11 0.39 0.02 -1.26 -4.95 135.00 131.67 2gmg s PRO 98 Ca 0.50 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.29 2gmg s PRO 98 Cb -0.25 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 2gmg s PRO 98 CO 0.31 -1.66 -0.12 1.03 -0.33 0.00 0.00 177.00 176.22 2gmg s ARG 99 N -3.78 3.19 -0.18 5.54 0.52 -1.26 -4.66 118.95 118.32 2gmg s ARG 99 Ca 0.75 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 55.26 2gmg s ARG 99 Cb -0.29 -2.59 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 2gmg s ARG 99 CO 0.42 0.32 -0.08 -0.06 0.02 0.00 0.00 175.30 175.93 2gmg s PHE 100 N 0.06 2.91 0.04 -0.53 0.08 -1.26 -2.28 117.98 117.01 2gmg s PHE 100 Ca -0.05 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.22 2gmg s PHE 100 Cb -0.14 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 2gmg s PHE 100 CO 0.04 -0.40 -0.09 0.15 -0.10 0.00 0.00 175.22 174.82 2gmg s LYS 101 N 0.99 0.59 -0.11 0.44 1.02 -1.23 -4.49 119.74 116.95 2gmg s LYS 101 Ca -0.01 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.29 2gmg s LYS 101 Cb -0.15 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.73 2gmg s LYS 101 CO -0.00 0.09 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.78 2gmg s LEU 102 N -1.43 2.15 -0.11 3.17 1.02 -1.25 -3.52 118.68 118.71 2gmg s LEU 102 Ca -0.07 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 53.57 2gmg s LEU 102 Cb -0.09 -1.44 -0.00 0.00 0.02 0.00 0.00 46.19 44.68 2gmg s LEU 102 CO 0.01 0.14 -0.21 -0.70 0.02 0.00 0.00 176.35 175.61 2gmg s GLU 103 N 0.44 3.12 -0.32 1.70 2.12 -1.26 -4.57 118.70 119.94 2gmg s GLU 103 Ca -0.16 -0.84 -0.16 0.00 0.36 0.00 0.00 54.97 54.17 2gmg s GLU 103 Cb -0.17 -2.38 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 2gmg s GLU 103 CO 0.06 0.17 0.43 1.03 -0.54 0.00 0.00 175.26 176.42 2gmg s ARG 104 N 0.38 3.75 0.00 4.30 0.52 -1.26 -4.36 118.95 122.28 2gmg s ARG 104 Ca -0.16 -0.14 0.07 0.00 -0.52 0.00 0.00 55.73 54.98 2gmg s ARG 104 Cb -0.17 -3.75 0.06 0.00 0.52 0.00 0.00 34.95 31.60 2gmg s ARG 104 CO 0.08 -0.48 0.73 1.63 0.02 0.00 0.00 175.30 177.27