#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 2.66 -0.15 0.00 0.09 -1.26 -5.13 115.29 111.50 2gmg s HIS 2 Ca 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 55.06 54.80 2gmg s HIS 2 Cb 0.00 -1.62 -0.03 0.00 -0.00 0.00 0.00 32.58 30.93 2gmg s HIS 2 CO 0.00 0.13 -0.04 -1.01 -0.00 0.00 0.00 174.74 173.81 2gmg s HIS 3 N -0.64 3.01 0.02 1.40 4.02 -1.26 -5.12 115.29 116.71 2gmg s HIS 3 Ca 0.10 -0.34 0.09 0.00 1.02 0.00 0.00 55.06 55.93 2gmg s HIS 3 Cb -0.11 -1.95 -0.02 0.00 -1.02 0.00 0.00 32.58 29.47 2gmg s HIS 3 CO 0.01 -0.06 -0.26 -1.01 1.02 0.00 0.00 174.74 174.44 2gmg s HIS 4 N 0.38 2.31 -0.12 1.40 0.09 -1.26 -5.14 115.29 112.94 2gmg s HIS 4 Ca -0.05 -0.42 -0.05 0.00 -0.00 0.00 0.00 55.06 54.54 2gmg s HIS 4 Cb -0.14 -1.43 -0.04 0.00 -0.00 0.00 0.00 32.58 30.97 2gmg s HIS 4 CO 0.03 0.05 0.07 -1.01 -0.00 0.00 0.00 174.74 173.88 2gmg s HIS 5 N -0.72 3.34 -0.13 1.40 4.02 -1.26 -5.11 115.29 116.84 2gmg s HIS 5 Ca 0.11 0.28 -0.01 0.00 1.02 0.00 0.00 55.06 56.46 2gmg s HIS 5 Cb -0.10 -1.92 -0.02 0.00 -1.02 0.00 0.00 32.58 29.52 2gmg s HIS 5 CO 0.01 0.48 -0.09 -1.01 1.02 0.00 0.00 174.74 175.14 2gmg s HIS 6 N -0.59 2.89 -0.13 1.40 0.09 -1.26 -5.00 115.29 112.69 2gmg s HIS 6 Ca 0.11 -0.41 0.05 0.00 -0.00 0.00 0.00 55.06 54.81 2gmg s HIS 6 Cb -0.12 -1.85 -0.11 0.00 -0.00 0.00 0.00 32.58 30.50 2gmg s HIS 6 CO 0.02 -0.05 -0.05 0.72 -0.00 0.00 0.00 174.74 175.37 2gmg n HIS 7 N 3.28 0.00 0.00 1.40 -0.00 -1.26 -5.13 115.22 113.51 2gmg n HIS 7 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2gmg n HIS 7 Cb 0.53 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 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 2.61 0.95 0.13 -1.41 0.00 -1.26 -4.72 105.19 101.49 2gmg n GLY 8 Ca -0.22 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 44.89 2gmg n GLY 8 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2gmg h SER 9 N 0.00 0.00 0.09 1.61 0.87 -2.00 -3.29 113.55 110.83 2gmg h SER 9 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2gmg h SER 9 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2gmg h SER 9 CO 0.00 0.25 -0.42 0.00 -0.53 0.00 0.00 176.83 176.14 2gmg h ALA 10 N 1.75 0.95 0.15 6.23 0.00 -2.00 -1.93 119.26 124.41 2gmg h ALA 10 Ca -0.05 -0.44 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 2gmg h ALA 10 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2gmg h ALA 10 CO 0.03 0.63 -1.55 1.79 0.00 0.00 0.00 179.25 180.15 2gmg h THR 11 N 0.34 1.15 -0.43 0.00 1.35 -1.91 -2.88 112.91 110.53 2gmg h THR 11 Ca 0.03 -2.75 -0.12 0.00 -0.55 0.00 0.00 66.41 63.02 2gmg h THR 11 Cb 0.88 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 70.09 2gmg h THR 11 CO 0.07 0.83 -0.20 0.03 -0.25 0.00 0.00 175.52 176.01 2gmg h ARG 12 N 0.08 0.90 -0.30 4.72 -0.00 -1.63 0.21 114.38 118.36 2gmg h ARG 12 Ca -0.26 -0.39 -0.14 0.00 -0.50 0.00 0.00 59.98 58.69 2gmg h ARG 12 Cb 2.05 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 31.98 2gmg h ARG 12 CO 0.18 1.04 -0.40 0.00 0.00 0.00 0.00 179.97 180.79 2gmg h ARG 13 N 0.73 0.72 -0.32 0.04 3.08 -1.50 -2.70 114.38 114.43 2gmg h ARG 13 Ca 0.10 -0.37 -0.10 0.00 0.07 0.00 0.00 59.98 59.67 2gmg h ARG 13 Cb 0.76 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2gmg h ARG 13 CO 0.06 0.99 -0.23 0.93 -1.07 0.00 0.00 179.97 180.65 2gmg h GLU 14 N 0.59 0.62 -0.18 0.04 5.08 -1.40 -2.89 114.58 116.44 2gmg h GLU 14 Ca 0.05 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2gmg h GLU 14 Cb 0.94 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2gmg h GLU 14 CO 0.09 0.80 -0.13 0.87 -1.00 0.00 0.00 179.01 179.64 2gmg h LYS 15 N 0.54 0.29 -0.19 2.33 1.57 -0.69 -2.23 116.57 118.19 2gmg h LYS 15 Ca 0.08 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2gmg h LYS 15 Cb 0.69 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2gmg h LYS 15 CO 0.05 0.42 -0.06 0.82 -0.57 0.00 0.00 179.45 180.12 2gmg h ILE 16 N 0.27 1.29 0.00 1.86 2.04 -1.28 -1.81 117.51 119.88 2gmg h ILE 16 Ca 0.06 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2gmg h ILE 16 Cb 0.40 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2gmg h ILE 16 CO 0.02 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.49 2gmg n ILE 17 N -4.62 0.85 -0.12 -0.67 0.13 -1.10 -2.87 119.36 110.96 2gmg n ILE 17 Ca -0.05 0.20 -0.18 0.00 -1.10 0.00 0.00 62.75 61.62 2gmg n ILE 17 Cb 0.29 -0.99 -0.12 0.00 -0.84 0.00 0.00 39.64 37.98 2gmg n ILE 17 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2gmg n GLU 18 N -1.76 0.66 0.10 9.51 1.02 -0.86 -4.52 120.64 124.80 2gmg n GLU 18 Ca 0.03 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.43 2gmg n GLU 18 Cb 0.21 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.43 -3.38 115.31 111.71 2gmg h LEU 19 Ca -0.56 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2gmg h LEU 19 Cb 1.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.94 2gmg h LEU 19 CO -0.07 0.13 -0.23 -0.11 -0.34 0.00 0.00 178.44 177.82 2gmg n LEU 20 N -2.78 0.28 0.02 2.25 7.94 -1.14 -3.57 117.00 120.00 2gmg n LEU 20 Ca -0.01 0.22 0.13 0.00 -1.11 0.00 0.00 56.01 55.23 2gmg n LEU 20 Cb 0.61 -0.35 0.34 0.00 0.53 0.00 0.00 43.42 44.55 2gmg n LEU 20 CO 0.40 0.07 0.60 -0.11 -1.11 0.00 0.00 177.39 177.23 2gmg n LEU 21 N -1.43 0.42 -0.05 -1.96 7.94 -1.26 -3.81 117.00 116.85 2gmg n LEU 21 Ca 0.07 0.22 -0.02 0.00 -1.11 0.00 0.00 56.01 55.17 2gmg n LEU 21 Cb 0.33 -0.31 -0.13 0.00 0.53 0.00 0.00 43.42 43.84 2gmg n LEU 21 CO 0.30 0.04 -0.91 -0.62 -1.11 0.00 0.00 177.39 175.09 2gmg n GLU 22 N -1.67 1.03 -3.80 1.96 1.02 -1.23 -4.91 120.64 113.03 2gmg n GLU 22 Ca 0.05 -0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 2gmg n GLU 22 Cb 0.36 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.39 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 -4.64 0.44 -0.13 0.62 0.00 -1.25 -5.16 107.32 97.20 2gmg s GLY 23 Ca -0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 2gmg s GLY 23 CO 0.69 -0.34 -0.09 0.51 0.00 0.00 0.00 173.10 173.86 2gmg s ASP 24 N -3.09 4.33 0.03 1.64 -4.77 -1.26 -4.46 116.67 109.08 2gmg s ASP 24 Ca 0.16 -0.23 0.02 0.00 -3.30 0.00 0.00 52.55 49.20 2gmg s ASP 24 Cb -0.05 -1.60 -0.02 0.00 -1.09 0.00 0.00 42.92 40.17 2gmg s ASP 24 CO 0.12 0.19 -0.07 -0.31 0.70 0.00 0.00 175.17 175.80 2gmg s TYR 25 N 0.21 0.62 0.66 2.11 2.02 -1.26 -5.00 117.35 116.71 2gmg s TYR 25 Ca -0.06 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 2gmg s TYR 25 Cb -0.15 -0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 2gmg s TYR 25 CO 0.04 -0.06 1.06 -1.12 -1.57 0.00 0.00 175.55 173.90 2gmg s SER 26 N -1.11 5.80 0.21 2.29 0.01 -1.26 -4.41 113.70 115.22 2gmg s SER 26 Ca -0.06 1.35 -0.10 0.00 1.31 0.00 0.00 55.95 58.45 2gmg s SER 26 Cb -0.07 -2.29 0.28 0.00 0.21 0.00 0.00 66.02 64.15 2gmg s SER 26 CO 0.00 -1.14 1.72 -0.65 0.41 0.00 0.00 173.24 173.58 2gmg h PRO 27 N -0.51 0.29 -0.24 12.44 0.11 -1.95 0.29 132.00 142.43 2gmg h PRO 27 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2gmg h PRO 27 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2gmg h PRO 27 CO 0.62 0.19 0.14 0.77 -0.21 0.00 0.00 178.00 179.51 2gmg h SER 28 N 0.30 0.28 0.09 -2.05 0.02 -1.95 -2.20 113.55 108.04 2gmg h SER 28 Ca 0.31 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.08 2gmg h SER 28 Cb 0.43 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2gmg h SER 28 CO -0.36 0.22 -0.61 -0.33 -1.14 0.00 0.00 176.83 174.61 2gmg h GLU 29 N 0.33 0.52 0.00 3.45 5.08 -1.67 -1.89 114.58 120.40 2gmg h GLU 29 Ca 0.09 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2gmg h GLU 29 Cb -0.01 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2gmg h GLU 29 CO -0.02 0.97 0.00 1.28 -1.00 0.00 0.00 179.01 180.24 2gmg n LEU 30 N -3.93 0.00 -0.09 1.33 4.77 0.93 -1.16 117.00 118.85 2gmg n LEU 30 Ca -0.04 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 2gmg n LEU 30 Cb 0.64 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 2gmg n LEU 30 CO 0.47 -0.07 -1.10 0.00 -1.33 0.00 0.00 177.39 175.36 2gmg n ALA 31 N -1.16 1.55 -0.05 -1.18 0.00 -0.95 -4.47 120.51 114.25 2gmg n ALA 31 Ca 0.10 -1.19 -0.11 0.00 0.00 0.00 0.00 53.44 52.24 2gmg n ALA 31 Cb 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 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 0.28 -5.47 0.00 3.08 -0.35 -3.34 114.38 108.58 2gmg h ARG 32 Ca -0.50 -0.07 -0.68 0.00 0.07 0.00 0.00 59.98 58.80 2gmg h ARG 32 Cb 2.11 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 32.00 2gmg h ARG 32 CO 0.02 0.42 1.66 -1.50 -1.07 0.00 0.00 179.97 179.50 2gmg s ILE 33 N -5.27 4.43 -5.00 2.04 2.07 -0.91 -4.83 121.20 113.74 2gmg s ILE 33 Ca -0.14 -1.89 0.00 0.00 -1.41 0.00 0.00 60.65 57.21 2gmg s ILE 33 Cb 0.07 -5.04 0.00 0.00 0.13 0.00 0.00 42.46 37.62 2gmg s ILE 33 CO 0.71 -1.83 0.00 -0.11 -1.91 0.00 0.00 174.94 171.80 2gmg n LEU 34 N 7.43 0.00 -4.67 8.50 7.94 -1.25 -4.90 117.00 130.05 2gmg n LEU 34 Ca 0.39 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.95 2gmg n LEU 34 Cb 0.46 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.32 2gmg n LEU 34 CO 0.67 0.00 -0.25 -1.81 -1.11 0.00 0.00 177.39 174.89 2gmg s ASP 35 N -4.00 5.66 0.00 1.96 1.01 -1.26 -5.03 116.67 115.01 2gmg s ASP 35 Ca 0.00 0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.43 2gmg s ASP 35 Cb 0.00 -1.90 -0.25 0.00 1.01 0.00 0.00 42.92 41.78 2gmg s ASP 35 CO 0.00 0.24 0.85 0.24 0.21 0.00 0.00 175.17 176.71 2gmg h MET 36 N 6.23 0.14 0.00 8.23 2.86 -1.95 -3.49 114.93 126.95 2gmg h MET 36 Ca -0.41 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 2gmg h MET 36 Cb 1.18 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.93 2gmg h MET 36 CO 0.66 0.94 0.00 0.54 1.06 0.00 0.00 176.91 180.11 2gmg n ARG 37 N -3.33 0.00 0.00 1.72 1.74 -1.26 -4.60 116.66 110.93 2gmg n ARG 37 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2gmg n ARG 37 Cb 1.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.47 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 0.00 0.73 3.53 -0.13 0.00 -1.26 -5.16 105.19 102.90 2gmg n GLY 38 Ca 0.00 0.39 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 2gmg n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gmg s LYS 39 N 1.79 3.14 0.00 1.61 1.02 -1.26 -4.90 119.74 121.14 2gmg s LYS 39 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2gmg s LYS 39 Cb 0.00 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 2gmg s LYS 39 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 2gmg n GLY 40 N 2.83 0.77 0.00 -3.33 0.00 -1.26 -5.09 105.19 99.11 2gmg n GLY 40 Ca -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 2.51 0.01 1.61 7.64 -1.26 -4.76 113.62 119.37 2gmg n SER 41 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2gmg n SER 41 Cb 0.00 0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.10 0.00 1.43 1.57 -1.99 -3.09 116.57 114.39 2gmg h LYS 42 Ca 0.00 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2gmg h LYS 42 Cb 0.51 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2gmg h LYS 42 CO 0.00 0.44 -0.69 0.87 -0.57 0.00 0.00 179.45 179.51 2gmg h LYS 43 N -0.81 0.00 -0.50 3.15 1.57 -2.00 -2.98 116.57 115.00 2gmg h LYS 43 Ca -0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 2gmg h LYS 43 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2gmg h LYS 43 CO 0.02 0.69 -0.14 0.28 -0.57 0.00 0.00 179.45 179.72 2gmg h VAL 44 N 0.00 1.27 0.00 0.50 2.07 -1.86 -2.47 116.25 115.76 2gmg h VAL 44 Ca -0.01 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 2gmg h VAL 44 Cb 1.27 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2gmg h VAL 44 CO 0.09 0.45 -0.33 -0.29 0.02 0.00 0.00 177.57 177.52 2gmg h ILE 45 N 0.85 0.73 -0.10 4.57 6.09 -1.50 -2.89 117.51 125.26 2gmg h ILE 45 Ca 0.13 -1.46 -0.20 0.00 -1.37 0.00 0.00 64.86 61.95 2gmg h ILE 45 Cb 0.71 1.94 0.00 0.00 0.47 0.00 0.00 36.82 39.95 2gmg h ILE 45 CO 0.05 0.32 -0.76 -0.07 -3.07 0.00 0.00 178.15 174.62 2gmg h LEU 46 N 0.00 0.65 -0.67 2.19 3.38 -1.35 -2.99 115.31 116.52 2gmg h LEU 46 Ca -0.00 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 2gmg h LEU 46 Cb 0.92 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2gmg h LEU 46 CO 0.04 1.19 -0.54 -0.33 0.09 0.00 0.00 178.44 178.90 2gmg h GLU 47 N 0.37 0.00 -0.22 1.13 5.08 -1.46 -3.00 114.58 116.48 2gmg h GLU 47 Ca -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2gmg h GLU 47 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2gmg h GLU 47 CO 0.14 0.54 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.10 2gmg h ASP 48 N 0.00 0.36 -0.16 1.42 3.32 -1.54 -2.81 116.42 117.01 2gmg h ASP 48 Ca -0.01 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 2gmg h ASP 48 Cb 1.12 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2gmg h ASP 48 CO 0.07 0.54 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.97 2gmg h LEU 49 N 0.34 0.47 -1.08 1.55 -0.00 -1.38 -2.08 115.31 113.14 2gmg h LEU 49 Ca 0.06 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 57.78 2gmg h LEU 49 Cb 0.48 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2gmg h LEU 49 CO 0.03 0.60 0.05 0.11 -0.00 0.00 0.00 178.44 179.23 2gmg h LYS 50 N 0.46 0.70 -0.04 1.13 1.57 -1.48 -0.18 116.57 118.74 2gmg h LYS 50 Ca 0.09 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2gmg h LYS 50 Cb 0.43 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.65 2gmg h LYS 50 CO 0.02 0.68 -0.43 0.28 -0.57 0.00 0.00 179.45 179.44 2gmg h VAL 51 N 0.67 1.44 -0.27 0.50 2.07 -1.42 -3.28 116.25 115.96 2gmg h VAL 51 Ca 0.14 -1.89 -0.14 0.00 0.82 0.00 0.00 66.70 65.64 2gmg h VAL 51 Cb 0.34 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2gmg h VAL 51 CO 0.01 0.54 -0.40 0.40 0.02 0.00 0.00 177.57 178.14 2gmg h ILE 52 N -0.15 1.29 -0.16 4.57 2.04 -1.31 -3.02 117.51 120.78 2gmg h ILE 52 Ca -0.04 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2gmg h ILE 52 Cb 1.11 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2gmg h ILE 52 CO 0.09 0.50 0.06 0.77 0.00 0.00 0.00 178.15 179.57 2gmg h SER 53 N 0.52 0.19 0.17 1.72 4.64 -1.12 0.20 113.55 119.87 2gmg h SER 53 Ca 0.04 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 2gmg h SER 53 Cb 0.92 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2gmg h SER 53 CO 0.08 0.17 -0.56 0.11 -0.87 0.00 0.00 176.83 175.76 2gmg h LYS 54 N 0.21 0.41 0.18 4.77 1.57 -1.58 -3.08 116.57 119.05 2gmg h LYS 54 Ca 0.06 -0.26 -0.34 0.00 -1.87 0.00 0.00 60.65 58.23 2gmg h LYS 54 Cb 0.04 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.39 2gmg h LYS 54 CO -0.01 0.86 -1.71 0.82 -0.57 0.00 0.00 179.45 178.84 2gmg h ILE 55 N 0.31 0.98 0.00 1.86 2.04 -1.52 -3.27 117.51 117.92 2gmg h ILE 55 Ca 0.00 -2.57 -0.00 0.00 1.00 0.00 0.00 64.86 63.29 2gmg h ILE 55 Cb 1.08 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 39.92 2gmg h ILE 55 CO 0.10 0.85 -0.00 0.00 0.00 0.00 0.00 178.15 179.09 2gmg h ALA 56 N 0.19 1.47 0.07 1.87 0.00 -0.64 0.41 119.26 122.63 2gmg h ALA 56 Ca -0.32 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 2gmg h ALA 56 Cb 2.09 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 2gmg h ALA 56 CO 0.18 0.00 -1.86 1.63 0.00 0.00 0.00 179.25 179.19 2gmg n LYS 57 N -3.77 0.70 0.25 0.00 5.02 -1.16 -2.04 118.16 117.16 2gmg n LYS 57 Ca -0.03 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.67 2gmg n LYS 57 Cb 0.08 -1.75 0.52 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.04 0.00 -0.57 1.97 3.08 -1.55 -3.07 114.38 114.28 2gmg h ARG 58 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2gmg h ARG 58 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.08 2gmg h ARG 58 CO 0.09 0.11 0.00 0.39 -1.07 0.00 0.00 179.97 179.48 2gmg n GLU 59 N -3.22 3.17 0.00 0.04 1.02 0.11 -5.01 120.64 116.76 2gmg n GLU 59 Ca 0.01 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 2gmg n GLU 59 Cb 0.39 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.99 0.96 3.17 0.62 0.00 -0.86 -4.94 105.19 105.13 2gmg n GLY 60 Ca 0.22 -0.02 -0.58 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.64 1.61 2.00 -1.01 -4.66 117.12 111.42 2gmg n MET 61 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 2gmg n MET 61 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 33.22 31.81 2gmg n MET 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2gmg s VAL 62 N 3.90 5.21 -0.22 2.03 -7.23 -1.21 -4.12 120.40 118.75 2gmg s VAL 62 Ca 1.00 0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 61.62 2gmg s VAL 62 Cb -1.35 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 31.96 2gmg s VAL 62 CO 0.67 0.59 0.39 -0.76 -0.31 0.00 0.00 175.10 175.68 2gmg s LEU 63 N -1.01 4.12 -0.13 1.32 2.01 -1.26 -3.46 118.68 120.27 2gmg s LEU 63 Ca 0.20 0.45 -0.01 0.00 0.01 0.00 0.00 54.13 54.78 2gmg s LEU 63 Cb -0.15 -2.48 -0.02 0.00 0.01 0.00 0.00 46.19 43.55 2gmg s LEU 63 CO 0.10 -0.10 -0.09 -0.76 1.01 0.00 0.00 176.35 176.50 2gmg s LEU 64 N 1.51 2.95 -0.12 1.79 1.02 -1.14 -5.02 118.68 119.67 2gmg s LEU 64 Ca 0.18 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.10 2gmg s LEU 64 Cb -0.15 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.36 2gmg s LEU 64 CO 0.08 0.19 -0.12 -0.63 0.02 0.00 0.00 176.35 175.89 2gmg s ILE 65 N 0.22 3.19 0.06 -0.59 1.09 -1.26 -2.89 121.20 121.03 2gmg s ILE 65 Ca -0.06 -0.62 -0.26 0.00 -1.10 0.00 0.00 60.65 58.61 2gmg s ILE 65 Cb -0.15 -2.34 -0.06 0.00 -1.06 0.00 0.00 42.46 38.86 2gmg s ILE 65 CO 0.04 0.53 0.81 -0.54 -0.10 0.00 0.00 174.94 175.68 2gmg s LYS 66 N 0.19 4.54 -0.09 2.79 1.02 -0.68 -4.88 119.74 122.64 2gmg s LYS 66 Ca -0.07 1.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.78 2gmg s LYS 66 Cb -0.15 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2gmg s LYS 66 CO 0.05 0.28 1.65 -2.14 -0.92 0.00 0.00 175.35 174.26 2gmg s PRO 67 N -0.08 4.09 0.41 -1.68 0.02 -1.26 -3.95 135.00 132.55 2gmg s PRO 67 Ca 0.40 2.08 -0.27 0.00 0.02 0.00 0.00 61.00 63.23 2gmg s PRO 67 Cb -0.21 -4.00 -0.09 0.00 0.02 0.00 0.00 34.50 30.22 2gmg s PRO 67 CO 0.25 -0.95 1.40 0.00 -0.33 0.00 0.00 177.00 177.37 2gmg s ALA 68 N 4.32 3.36 0.04 -1.55 0.00 -1.23 -4.90 121.76 121.79 2gmg s ALA 68 Ca 0.73 1.42 0.02 0.00 0.00 0.00 0.00 51.96 54.13 2gmg s ALA 68 Cb -0.31 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 2gmg s ALA 68 CO 0.29 -1.01 -0.07 -1.14 0.00 0.00 0.00 175.76 173.83 2gmg s GLN 69 N -2.24 0.50 -0.25 0.00 0.74 -1.23 -0.95 119.66 116.23 2gmg s GLN 69 Ca 0.57 -0.71 -0.19 0.00 0.05 0.00 0.00 55.36 55.08 2gmg s GLN 69 Cb -0.43 -0.26 -0.02 0.00 1.10 0.00 0.00 33.01 33.40 2gmg s GLN 69 CO 0.56 0.05 0.58 0.00 -0.55 0.00 0.00 175.29 175.93 2gmg n ARG 71 N 5.60 1.74 -0.14 0.00 1.74 0.57 -2.42 116.66 123.76 2gmg n ARG 71 Ca -0.02 -1.08 -0.29 0.00 -0.77 0.00 0.00 57.85 55.69 2gmg n ARG 71 Cb 0.49 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.32 0.60 0.02 5.56 5.02 -1.26 -4.65 118.16 123.76 2gmg n LYS 72 Ca 0.18 0.26 0.08 0.00 -2.02 0.00 0.00 58.31 56.81 2gmg n LYS 72 Cb 0.38 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 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 2.86 3.64 0.00 0.00 -1.02 -5.06 105.19 106.92 2gmg n GLY 74 Ca -0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.49 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 1.99 -4.15 1.61 7.35 -1.25 -4.72 117.46 116.29 2gmg n PHE 75 Ca 0.00 0.43 -0.34 0.00 -0.76 0.00 0.00 57.45 56.78 2gmg n PHE 75 Cb 0.00 -2.45 -0.11 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 0.45 4.46 0.06 -2.13 1.01 -1.26 -0.48 120.40 122.51 2gmg s VAL 76 Ca 0.77 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 2gmg s VAL 76 Cb -0.75 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2gmg s VAL 76 CO 0.44 0.48 0.28 -0.36 0.00 0.00 0.00 175.10 175.93 2gmg s PHE 77 N 0.34 3.53 0.61 5.22 0.08 -0.13 -4.98 117.98 122.66 2gmg s PHE 77 Ca 0.00 0.47 -0.16 0.00 0.12 0.00 0.00 56.93 57.36 2gmg s PHE 77 Cb -0.13 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 2gmg s PHE 77 CO 0.01 0.56 1.11 0.15 -0.10 0.00 0.00 175.22 176.95 2gmg s LYS 78 N -2.22 3.04 -0.16 0.44 1.02 -1.26 -3.57 119.74 117.04 2gmg s LYS 78 Ca 0.33 1.43 -0.29 0.00 0.02 0.00 0.00 55.97 57.46 2gmg s LYS 78 Cb -0.13 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2gmg s LYS 78 CO 0.22 -1.06 1.62 0.00 -0.92 0.00 0.00 175.35 175.20 2gmg s ALA 79 N -2.18 3.41 0.43 5.17 0.00 -1.26 -4.55 121.76 122.78 2gmg s ALA 79 Ca 0.68 0.64 0.04 0.00 0.00 0.00 0.00 51.96 53.32 2gmg s ALA 79 Cb -0.21 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 2gmg s ALA 79 CO 0.36 -1.72 0.04 -1.83 0.00 0.00 0.00 175.76 172.60 2gmg s GLU 80 N 4.41 1.98 -0.71 0.00 -1.05 -1.26 -5.07 118.70 117.01 2gmg s GLU 80 Ca 0.72 -2.19 -0.01 0.00 -0.15 0.00 0.00 54.97 53.34 2gmg s GLU 80 Cb -0.28 -1.27 0.40 0.00 -0.44 0.00 0.00 34.13 32.54 2gmg s GLU 80 CO 0.28 -0.27 1.87 0.44 0.95 0.00 0.00 175.26 178.54 2gmg n ILE 81 N -1.01 3.40 -3.73 1.83 -6.64 -1.26 -5.01 119.36 106.94 2gmg n ILE 81 Ca -0.10 -3.95 -0.02 0.00 -1.77 0.00 0.00 62.75 56.91 2gmg n ILE 81 Cb 0.67 -1.21 -0.01 0.00 -1.44 0.00 0.00 39.64 37.65 2gmg n ILE 81 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 2gmg s ASN 82 N -1.76 -0.12 -0.13 7.28 3.84 -1.26 -4.95 114.94 117.83 2gmg s ASN 82 Ca 0.55 -0.34 0.02 0.00 0.21 0.00 0.00 52.86 53.30 2gmg s ASN 82 Cb 0.45 0.38 0.00 0.00 -0.55 0.00 0.00 41.25 41.54 2gmg s ASN 82 CO -0.24 -0.72 -0.21 -0.51 -2.79 0.00 0.00 177.10 172.64 2gmg s ILE 83 N -2.91 2.22 0.38 -5.21 1.10 -1.26 -4.94 121.20 110.57 2gmg s ILE 83 Ca 0.14 -0.93 -0.24 0.00 -0.51 0.00 0.00 60.65 59.10 2gmg s ILE 83 Cb 0.00 -1.89 -0.10 0.00 0.15 0.00 0.00 42.46 40.63 2gmg s ILE 83 CO 0.01 0.54 0.99 -2.84 -2.11 0.00 0.00 174.94 171.53 2gmg s PRO 84 N 0.69 4.33 -0.09 3.50 0.02 -1.26 -4.99 135.00 137.21 2gmg s PRO 84 Ca -0.09 1.36 0.18 0.00 0.02 0.00 0.00 61.00 62.47 2gmg s PRO 84 Cb -0.16 -2.57 -0.24 0.00 0.02 0.00 0.00 34.50 31.55 2gmg s PRO 84 CO 0.01 0.04 0.39 0.43 -0.33 0.00 0.00 177.00 177.54 2gmg n SER 85 N 0.05 0.26 -3.79 2.53 7.64 -1.26 -4.98 113.62 114.07 2gmg n SER 85 Ca 0.04 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.91 2gmg n SER 85 Cb 0.51 0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 64.57 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 -2.86 0.33 0.06 1.43 0.52 -1.26 -5.03 118.95 112.14 2gmg s ARG 86 Ca -0.07 0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 55.08 2gmg s ARG 86 Cb 0.09 0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.63 2gmg s ARG 86 CO 0.84 -0.05 1.67 0.00 0.02 0.00 0.00 175.30 177.79 2gmg h PRO 88 N 8.51 0.44 0.15 0.00 0.11 -1.99 -3.30 132.00 135.92 2gmg h PRO 88 Ca -0.43 -0.14 -0.23 0.00 0.11 0.00 0.00 66.00 65.31 2gmg h PRO 88 Cb 1.20 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 32.29 2gmg h PRO 88 CO 0.93 0.62 -1.05 1.57 -0.21 0.00 0.00 178.00 179.86 2gmg h LYS 89 N 0.40 0.32 0.00 1.05 2.10 -2.04 -3.48 116.57 114.92 2gmg h LYS 89 Ca 0.07 -0.55 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2gmg h LYS 89 Cb 0.57 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 2gmg h LYS 89 CO 0.04 1.26 0.00 0.00 -2.00 0.00 0.00 179.45 178.75 2gmg n LYS 91 N 0.00 0.00 -0.73 0.00 2.85 -1.25 -4.68 118.16 114.35 2gmg n LYS 91 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 2gmg n LYS 91 Cb 0.00 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.47 2gmg n LYS 91 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2gmg n SER 92 N 0.00 -2.66 0.00 -5.58 3.41 -1.26 -4.58 113.62 102.94 2gmg n SER 92 Ca 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2gmg n SER 92 Cb 0.23 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2gmg n SER 92 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gmg n GLU 93 N 0.18 0.38 -2.82 4.33 1.02 -1.26 -4.06 120.64 118.41 2gmg n GLU 93 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 2gmg n GLU 93 Cb 0.44 -0.55 -0.03 0.00 -0.02 0.00 0.00 31.44 31.27 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 -1.10 2.82 -0.03 -0.32 0.51 -1.26 -5.02 118.94 114.54 2gmg s TRP 94 Ca 0.00 -0.92 0.07 0.00 -2.12 0.00 0.00 56.10 53.13 2gmg s TRP 94 Cb 0.00 -4.37 -0.02 0.00 -0.81 0.00 0.00 33.47 28.27 2gmg s TRP 94 CO 0.00 -1.65 -0.24 0.42 -0.51 0.00 0.00 176.95 174.96 2gmg s ILE 95 N 3.73 1.94 -0.15 2.03 1.09 -1.26 -0.31 121.20 128.27 2gmg s ILE 95 Ca 0.31 -1.04 -0.13 0.00 -1.10 0.00 0.00 60.65 58.69 2gmg s ILE 95 Cb -0.09 -1.62 -0.05 0.00 -1.06 0.00 0.00 42.46 39.65 2gmg s ILE 95 CO -0.01 0.55 0.29 -1.61 -0.10 0.00 0.00 174.94 174.05 2gmg s GLU 96 N -0.45 4.16 0.24 2.79 2.02 0.34 -4.97 118.70 122.83 2gmg s GLU 96 Ca 0.06 0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 2gmg s GLU 96 Cb -0.11 -3.39 -0.09 0.00 0.10 0.00 0.00 34.13 30.65 2gmg s GLU 96 CO 0.00 0.32 1.09 -1.21 0.02 0.00 0.00 175.26 175.48 2gmg s GLU 97 N 0.22 4.64 0.79 1.61 2.02 -1.26 -3.50 118.70 123.21 2gmg s GLU 97 Ca 0.17 1.75 -0.12 0.00 0.02 0.00 0.00 54.97 56.79 2gmg s GLU 97 Cb -0.13 -3.23 0.07 0.00 0.10 0.00 0.00 34.13 30.94 2gmg s GLU 97 CO 0.04 0.19 1.14 -1.25 0.02 0.00 0.00 175.26 175.40 2gmg s PRO 98 N -1.04 1.94 -0.07 0.39 0.04 -1.26 -4.87 135.00 130.12 2gmg s PRO 98 Ca 0.46 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.98 2gmg s PRO 98 Cb -0.31 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2gmg s PRO 98 CO 0.38 -1.93 -0.11 1.03 0.04 0.00 0.00 177.00 176.41 2gmg s ARG 99 N -4.47 2.75 -0.12 4.56 0.52 -1.25 -4.71 118.95 116.22 2gmg s ARG 99 Ca 0.67 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 2gmg s ARG 99 Cb -0.22 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 2gmg s ARG 99 CO 0.52 0.57 -0.16 -0.06 0.02 0.00 0.00 175.30 176.18 2gmg s PHE 100 N -0.57 2.74 0.04 -0.53 0.08 -1.26 -1.68 117.98 116.81 2gmg s PHE 100 Ca 0.08 -0.74 0.01 0.00 0.12 0.00 0.00 56.93 56.40 2gmg s PHE 100 Cb -0.12 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 2gmg s PHE 100 CO 0.02 -0.26 -0.05 0.15 -0.10 0.00 0.00 175.22 174.98 2gmg s LYS 101 N 0.32 0.49 -0.12 0.44 1.02 -1.14 -4.28 119.74 116.47 2gmg s LYS 101 Ca -0.13 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.03 2gmg s LYS 101 Cb -0.16 -0.01 -0.00 0.00 -0.52 0.00 0.00 37.83 37.13 2gmg s LYS 101 CO 0.06 -0.03 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.76 2gmg s LEU 102 N -1.98 2.34 0.09 3.17 1.02 -1.25 -2.90 118.68 119.17 2gmg s LEU 102 Ca -0.06 -0.47 0.08 0.00 0.02 0.00 0.00 54.13 53.69 2gmg s LEU 102 Cb -0.05 -1.50 -0.03 0.00 0.02 0.00 0.00 46.19 44.64 2gmg s LEU 102 CO -0.03 0.15 -0.22 -1.61 0.02 0.00 0.00 176.35 174.67 2gmg s GLU 103 N 0.41 1.24 -0.26 1.70 2.02 -1.22 -4.80 118.70 117.79 2gmg s GLU 103 Ca -0.14 -1.11 -0.08 0.00 0.02 0.00 0.00 54.97 53.65 2gmg s GLU 103 Cb -0.17 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.54 2gmg s GLU 103 CO 0.06 0.36 0.10 1.03 0.02 0.00 0.00 175.26 176.83 2gmg s ARG 104 N -1.69 3.72 0.00 1.61 0.52 -1.26 -3.33 118.95 118.52 2gmg s ARG 104 Ca 0.08 -0.44 0.10 0.00 -0.52 0.00 0.00 55.73 54.94 2gmg s ARG 104 Cb -0.10 -3.40 0.08 0.00 0.52 0.00 0.00 34.95 32.05 2gmg s ARG 104 CO 0.04 -0.19 0.82 1.63 0.02 0.00 0.00 175.30 177.62