#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 2.71 -0.17 0.00 0.09 -1.26 -5.12 115.29 111.54 2gmg s HIS 2 Ca 0.00 -0.38 -0.02 0.00 -0.00 0.00 0.00 55.06 54.66 2gmg s HIS 2 Cb 0.00 -1.70 -0.01 0.00 -0.00 0.00 0.00 32.58 30.87 2gmg s HIS 2 CO 0.00 0.01 -0.08 -1.01 -0.00 0.00 0.00 174.74 173.66 2gmg s HIS 3 N -0.31 2.91 -0.00 1.40 0.09 -1.26 -5.12 115.29 113.01 2gmg s HIS 3 Ca 0.02 -0.69 0.04 0.00 -0.00 0.00 0.00 55.06 54.43 2gmg s HIS 3 Cb -0.13 -1.97 -0.01 0.00 -0.00 0.00 0.00 32.58 30.48 2gmg s HIS 3 CO 0.03 -0.30 -0.13 -3.38 -0.00 0.00 0.00 174.74 170.96 2gmg s HIS 4 N 0.78 1.12 -0.29 1.40 0.00 -1.26 -5.14 115.29 111.91 2gmg s HIS 4 Ca -0.03 -0.23 -0.05 0.00 -3.00 0.00 0.00 55.06 51.74 2gmg s HIS 4 Cb -0.15 -0.71 0.02 0.00 -4.00 0.00 0.00 32.58 27.74 2gmg s HIS 4 CO 0.01 -0.01 0.04 -1.01 -1.00 0.00 0.00 174.74 172.78 2gmg s HIS 5 N -0.38 3.14 0.01 0.38 0.09 -1.26 -5.10 115.29 112.16 2gmg s HIS 5 Ca 0.04 -1.18 0.04 0.00 -0.00 0.00 0.00 55.06 53.96 2gmg s HIS 5 Cb -0.05 -2.20 -0.01 0.00 -0.00 0.00 0.00 32.58 30.32 2gmg s HIS 5 CO -0.00 -0.63 -0.11 -1.01 -0.00 0.00 0.00 174.74 172.98 2gmg s HIS 6 N 1.44 1.01 -0.13 1.40 0.09 -1.26 -5.15 115.29 112.68 2gmg s HIS 6 Ca 0.01 -0.26 -0.03 0.00 -0.00 0.00 0.00 55.06 54.79 2gmg s HIS 6 Cb -0.17 -0.63 -0.03 0.00 -0.00 0.00 0.00 32.58 31.75 2gmg s HIS 6 CO 0.01 -0.00 -0.04 -1.01 -0.00 0.00 0.00 174.74 173.69 2gmg s HIS 7 N -0.52 3.01 0.00 1.40 4.02 -1.26 -5.05 115.29 116.90 2gmg s HIS 7 Ca 0.02 -0.22 0.00 0.00 1.02 0.00 0.00 55.06 55.88 2gmg s HIS 7 Cb -0.06 -1.90 0.00 0.00 -1.02 0.00 0.00 32.58 29.61 2gmg s HIS 7 CO 0.00 0.06 0.00 0.41 1.02 0.00 0.00 174.74 176.23 2gmg n GLY 8 N 3.20 -1.70 0.12 -2.22 0.00 -1.26 -5.04 105.19 98.29 2gmg n GLY 8 Ca -0.18 1.02 0.02 0.00 0.00 0.00 0.00 46.02 46.89 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 1.14 1.61 0.02 -2.01 -3.27 113.55 111.04 2gmg h SER 9 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 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 0.48 -0.55 0.00 -1.14 0.00 0.00 176.83 175.62 2gmg h ALA 10 N 1.52 0.74 0.14 3.77 0.00 -2.01 -3.22 119.26 120.20 2gmg h ALA 10 Ca -0.07 -0.50 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 2gmg h ALA 10 Cb 1.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2gmg h ALA 10 CO 0.05 0.69 -1.32 1.79 0.00 0.00 0.00 179.25 180.47 2gmg h THR 11 N 0.00 1.42 -0.82 0.00 1.35 -1.98 -2.86 112.91 110.01 2gmg h THR 11 Ca -0.01 -2.99 -0.01 0.00 -0.55 0.00 0.00 66.41 62.86 2gmg h THR 11 Cb 1.27 2.92 -0.04 0.00 -1.73 0.00 0.00 68.15 70.57 2gmg h THR 11 CO 0.07 0.87 0.49 0.03 -0.25 0.00 0.00 175.52 176.73 2gmg h ARG 12 N 0.08 1.12 -0.22 4.72 3.08 -1.62 0.74 114.38 122.27 2gmg h ARG 12 Ca -0.16 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.64 2gmg h ARG 12 Cb 2.00 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 2gmg h ARG 12 CO 0.20 0.79 -0.46 0.00 -1.07 0.00 0.00 179.97 179.43 2gmg h ARG 13 N 1.14 0.57 -0.32 0.04 3.08 -1.64 -2.95 114.38 114.30 2gmg h ARG 13 Ca 0.29 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2gmg h ARG 13 Cb -0.03 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2gmg h ARG 13 CO -0.05 0.91 -0.10 0.93 -1.07 0.00 0.00 179.97 180.59 2gmg h GLU 14 N 0.46 0.54 -0.25 0.04 5.08 -1.13 -2.72 114.58 116.59 2gmg h GLU 14 Ca 0.03 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2gmg h GLU 14 Cb 0.98 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2gmg h GLU 14 CO 0.09 0.64 -0.13 0.87 -1.00 0.00 0.00 179.01 179.48 2gmg h LYS 15 N 0.50 0.42 -0.15 2.33 1.57 -0.71 -2.11 116.57 118.43 2gmg h LYS 15 Ca 0.09 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2gmg h LYS 15 Cb 0.48 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2gmg h LYS 15 CO 0.03 0.56 -0.04 0.82 -0.57 0.00 0.00 179.45 180.25 2gmg h ILE 16 N 0.39 1.29 0.00 1.86 2.04 -1.38 -1.75 117.51 119.96 2gmg h ILE 16 Ca 0.07 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2gmg h ILE 16 Cb 0.47 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2gmg h ILE 16 CO 0.03 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.47 2gmg n ILE 17 N -4.70 0.96 -0.10 -0.67 0.13 -1.10 -2.62 119.36 111.26 2gmg n ILE 17 Ca -0.06 0.25 -0.21 0.00 -1.10 0.00 0.00 62.75 61.64 2gmg n ILE 17 Cb 0.26 -1.06 -0.12 0.00 -0.84 0.00 0.00 39.64 37.87 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 -1.73 0.67 0.06 9.51 1.02 -0.81 -4.52 120.64 124.84 2gmg n GLU 18 Ca 0.03 0.22 0.02 0.00 -0.02 0.00 0.00 57.16 57.41 2gmg n GLU 18 Cb 0.18 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.17 0.00 0.00 -4.62 6.46 -1.41 -3.37 115.31 112.20 2gmg h LEU 19 Ca -0.55 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2gmg h LEU 19 Cb 1.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.79 2gmg h LEU 19 CO -0.10 0.47 0.00 -0.11 -0.62 0.00 0.00 178.44 178.08 2gmg n LEU 20 N -2.90 0.00 0.02 2.25 7.94 -1.08 -3.13 117.00 120.11 2gmg n LEU 20 Ca -0.06 0.50 0.12 0.00 -1.11 0.00 0.00 56.01 55.46 2gmg n LEU 20 Cb 0.78 -0.50 0.32 0.00 0.53 0.00 0.00 43.42 44.55 2gmg n LEU 20 CO 0.42 -0.01 0.56 0.18 -1.11 0.00 0.00 177.39 177.43 2gmg n LEU 21 N -1.50 0.45 -0.05 -1.96 4.77 -1.26 -3.80 117.00 113.65 2gmg n LEU 21 Ca 0.07 0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2gmg n LEU 21 Cb 0.33 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 40.99 2gmg n LEU 21 CO 0.26 0.04 -0.90 -0.62 -1.33 0.00 0.00 177.39 174.85 2gmg n GLU 22 N -1.67 0.89 -1.19 3.23 1.02 -1.18 -4.98 120.64 116.76 2gmg n GLU 22 Ca 0.05 -0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2gmg n GLU 22 Cb 0.36 -1.44 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 0.41 1.18 0.00 0.00 177.13 178.72 2gmg n GLY 23 N 1.71 1.75 3.28 0.62 0.00 -1.23 -5.17 105.19 106.16 2gmg n GLY 23 Ca -0.16 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.04 3.37 0.01 1.61 -4.77 -1.26 -4.49 116.67 110.10 2gmg s ASP 24 Ca 0.00 -0.47 0.01 0.00 -3.30 0.00 0.00 52.55 48.79 2gmg s ASP 24 Cb -0.00 -1.31 -0.01 0.00 -1.09 0.00 0.00 42.92 40.51 2gmg s ASP 24 CO 0.00 0.19 -0.03 -0.31 0.70 0.00 0.00 175.17 175.72 2gmg s TYR 25 N 0.17 0.26 0.61 2.11 2.02 -1.26 -5.08 117.35 116.19 2gmg s TYR 25 Ca -0.12 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.20 2gmg s TYR 25 Cb -0.16 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.18 2gmg s TYR 25 CO 0.07 -0.08 1.03 0.45 -1.57 0.00 0.00 175.55 175.44 2gmg s SER 26 N -0.74 6.23 0.23 2.29 0.15 -1.26 -4.61 113.70 115.99 2gmg s SER 26 Ca -0.06 1.45 -0.07 0.00 0.70 0.00 0.00 55.95 57.97 2gmg s SER 26 Cb -0.05 -2.48 0.41 0.00 -1.71 0.00 0.00 66.02 62.19 2gmg s SER 26 CO -0.00 -0.87 1.69 1.55 1.20 0.00 0.00 173.24 176.81 2gmg h PRO 27 N -0.18 0.25 -0.23 5.44 0.13 -1.95 0.32 132.00 135.78 2gmg h PRO 27 Ca -0.44 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2gmg h PRO 27 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2gmg h PRO 27 CO 0.62 0.17 0.10 0.77 -0.23 0.00 0.00 178.00 179.42 2gmg h SER 28 N 0.26 0.27 0.16 1.44 0.02 -1.95 -2.19 113.55 111.57 2gmg h SER 28 Ca 0.38 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 61.12 2gmg h SER 28 Cb 0.64 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 2gmg h SER 28 CO -0.49 0.25 -0.76 -0.33 -1.14 0.00 0.00 176.83 174.37 2gmg h GLU 29 N 0.31 0.50 0.00 3.45 5.08 -1.59 -2.27 114.58 120.06 2gmg h GLU 29 Ca 0.08 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2gmg h GLU 29 Cb 0.06 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2gmg h GLU 29 CO -0.01 1.05 0.00 1.28 -1.00 0.00 0.00 179.01 180.33 2gmg n LEU 30 N -3.86 0.00 -0.09 1.33 4.77 0.10 -1.11 117.00 118.15 2gmg n LEU 30 Ca -0.05 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2gmg n LEU 30 Cb 0.72 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 2gmg n LEU 30 CO 0.49 -0.06 -1.12 0.00 -1.33 0.00 0.00 177.39 175.37 2gmg n ALA 31 N -1.14 1.53 -0.08 -1.18 0.00 -0.87 -4.47 120.51 114.30 2gmg n ALA 31 Ca 0.11 -1.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.19 2gmg n ALA 31 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 0.39 -5.52 0.00 3.08 -0.54 -3.33 114.38 108.46 2gmg h ARG 32 Ca -0.52 -0.10 -0.70 0.00 0.07 0.00 0.00 59.98 58.73 2gmg h ARG 32 Cb 2.16 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 32.06 2gmg h ARG 32 CO 0.03 0.52 1.93 -1.50 -1.07 0.00 0.00 179.97 179.88 2gmg s ILE 33 N -5.19 4.40 -4.42 2.04 2.07 -1.00 -4.84 121.20 114.26 2gmg s ILE 33 Ca -0.14 -2.12 0.00 0.00 -1.41 0.00 0.00 60.65 56.98 2gmg s ILE 33 Cb 0.07 -5.11 0.00 0.00 0.13 0.00 0.00 42.46 37.56 2gmg s ILE 33 CO 0.73 -1.90 0.00 -0.11 -1.91 0.00 0.00 174.94 171.75 2gmg n LEU 34 N 7.55 0.00 -4.51 8.50 0.00 -1.25 -4.93 117.00 122.35 2gmg n LEU 34 Ca 0.45 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 56.12 2gmg n LEU 34 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.75 2gmg n LEU 34 CO 0.72 0.00 -0.37 -1.81 0.00 0.00 0.00 177.39 175.93 2gmg s ASP 35 N -3.05 4.64 -0.19 1.96 1.01 -1.26 -5.07 116.67 114.71 2gmg s ASP 35 Ca 0.00 -0.12 -0.06 0.00 0.71 0.00 0.00 52.55 53.08 2gmg s ASP 35 Cb 0.00 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 2gmg s ASP 35 CO 0.00 0.24 0.04 -0.04 0.21 0.00 0.00 175.17 175.62 2gmg s MET 36 N -0.07 3.83 0.00 8.23 -1.94 -1.26 -4.95 119.30 123.13 2gmg s MET 36 Ca 0.01 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 2gmg s MET 36 Cb -0.13 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.55 2gmg s MET 36 CO 0.03 0.17 0.00 0.54 -0.01 0.00 0.00 175.02 175.75 2gmg n ARG 37 N 3.82 3.18 -1.56 2.03 1.74 -1.26 -5.11 116.66 119.51 2gmg n ARG 37 Ca -0.17 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.89 2gmg n ARG 37 Cb 0.52 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 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 2.53 2.79 0.06 -0.13 0.00 -1.26 -5.09 105.19 104.09 2gmg n GLY 38 Ca 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.71 1.89 -3.84 1.61 5.02 -1.26 -4.98 118.16 115.88 2gmg n LYS 39 Ca 0.00 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2gmg n LYS 39 Cb 0.05 -1.33 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 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 -4.59 1.81 0.00 0.72 0.00 -1.26 -4.92 107.32 99.07 2gmg s GLY 40 Ca -0.06 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2gmg s GLY 40 CO 0.53 0.40 0.00 -1.26 0.00 0.00 0.00 173.10 172.77 2gmg n SER 41 N 4.53 3.22 -0.03 1.64 2.88 -1.26 -4.71 113.62 119.89 2gmg n SER 41 Ca -0.16 -0.01 -0.13 0.00 -1.33 0.00 0.00 58.87 57.24 2gmg n SER 41 Cb 0.52 0.66 -0.09 0.00 -0.75 0.00 0.00 64.21 64.55 2gmg n SER 41 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2gmg h LYS 42 N 0.00 0.10 -0.02 -1.46 1.57 -1.91 -1.75 116.57 113.10 2gmg h LYS 42 Ca 0.00 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 2gmg h LYS 42 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2gmg h LYS 42 CO 0.00 0.57 -0.81 0.87 -0.57 0.00 0.00 179.45 179.51 2gmg h LYS 43 N -0.37 0.23 -0.29 3.15 1.57 -1.99 -2.04 116.57 116.84 2gmg h LYS 43 Ca 0.01 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 2gmg h LYS 43 Cb 0.56 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2gmg h LYS 43 CO 0.01 0.92 -0.16 0.28 -0.57 0.00 0.00 179.45 179.93 2gmg h VAL 44 N 0.14 1.30 0.00 0.50 2.07 -1.84 -2.21 116.25 116.20 2gmg h VAL 44 Ca -0.04 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 2gmg h VAL 44 Cb 1.40 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2gmg h VAL 44 CO 0.13 0.40 -0.33 -0.29 0.02 0.00 0.00 177.57 177.50 2gmg h ILE 45 N 0.36 0.72 -0.26 4.57 6.09 -1.35 -3.01 117.51 124.64 2gmg h ILE 45 Ca 0.06 -1.47 -0.18 0.00 -1.37 0.00 0.00 64.86 61.90 2gmg h ILE 45 Cb 0.68 1.95 -0.00 0.00 0.47 0.00 0.00 36.82 39.93 2gmg h ILE 45 CO 0.05 0.32 -0.54 0.25 -3.07 0.00 0.00 178.15 175.15 2gmg h LEU 46 N 0.00 0.87 -0.51 2.19 6.46 -1.15 -2.96 115.31 120.21 2gmg h LEU 46 Ca -0.00 -0.46 -0.12 0.00 -0.12 0.00 0.00 57.88 57.18 2gmg h LEU 46 Cb 0.93 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 2gmg h LEU 46 CO 0.04 1.24 -0.55 -0.33 -0.62 0.00 0.00 178.44 178.22 2gmg h GLU 47 N 0.60 0.00 -0.15 1.25 5.08 -1.45 -2.96 114.58 116.95 2gmg h GLU 47 Ca 0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2gmg h GLU 47 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2gmg h GLU 47 CO 0.12 0.55 -0.23 -0.44 -1.00 0.00 0.00 179.01 178.01 2gmg h ASP 48 N 0.00 0.26 -0.00 1.42 3.32 -1.56 -2.70 116.42 117.15 2gmg h ASP 48 Ca -0.01 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 2gmg h ASP 48 Cb 1.20 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2gmg h ASP 48 CO 0.07 0.50 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.75 2gmg h LEU 49 N 0.24 0.43 -0.93 1.55 3.38 -1.35 -1.69 115.31 116.95 2gmg h LEU 49 Ca 0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2gmg h LEU 49 Cb 0.54 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2gmg h LEU 49 CO 0.04 0.70 0.16 0.11 0.09 0.00 0.00 178.44 179.53 2gmg h LYS 50 N 0.38 0.94 0.08 1.13 1.57 -1.42 0.08 116.57 119.33 2gmg h LYS 50 Ca 0.05 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 2gmg h LYS 50 Cb 0.68 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.87 2gmg h LYS 50 CO 0.05 0.83 -0.70 0.28 -0.57 0.00 0.00 179.45 179.34 2gmg h VAL 51 N 0.90 1.49 -0.70 0.50 2.07 -1.42 -3.28 116.25 115.80 2gmg h VAL 51 Ca 0.20 -2.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.29 2gmg h VAL 51 Cb 0.31 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 2gmg h VAL 51 CO -0.00 0.67 0.16 0.40 0.02 0.00 0.00 177.57 178.81 2gmg h ILE 52 N -0.30 1.26 -0.11 4.57 2.04 -1.28 -2.82 117.51 120.88 2gmg h ILE 52 Ca -0.11 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 64.79 2gmg h ILE 52 Cb 1.49 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2gmg h ILE 52 CO 0.13 0.38 0.08 0.28 0.00 0.00 0.00 178.15 179.02 2gmg h SER 53 N 1.07 0.00 0.31 1.72 0.02 -1.07 0.31 113.55 115.91 2gmg h SER 53 Ca 0.22 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2gmg h SER 53 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2gmg h SER 53 CO 0.01 0.00 -0.65 0.11 -1.14 0.00 0.00 176.83 175.15 2gmg h LYS 54 N 0.00 0.32 0.17 3.45 1.57 -1.56 -2.94 116.57 117.58 2gmg h LYS 54 Ca 0.05 -0.24 -0.35 0.00 -1.87 0.00 0.00 60.65 58.25 2gmg h LYS 54 Cb 0.21 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2gmg h LYS 54 CO -0.00 0.86 -1.77 0.82 -0.57 0.00 0.00 179.45 178.79 2gmg h ILE 55 N 0.23 0.90 -0.00 1.86 2.04 -1.44 -3.19 117.51 117.91 2gmg h ILE 55 Ca -0.01 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.33 2gmg h ILE 55 Cb 1.19 2.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.99 2gmg h ILE 55 CO 0.11 0.86 0.00 0.00 0.00 0.00 0.00 178.15 179.12 2gmg h ALA 56 N 0.16 1.55 0.08 1.87 0.00 -0.45 0.68 119.26 123.15 2gmg h ALA 56 Ca -0.35 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.25 2gmg h ALA 56 Cb 2.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 2gmg h ALA 56 CO 0.16 -0.00 -1.71 0.87 0.00 0.00 0.00 179.25 178.57 2gmg h LYS 57 N 0.00 0.18 0.00 0.00 1.57 -1.63 0.12 116.57 116.81 2gmg h LYS 57 Ca 0.00 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2gmg h LYS 57 Cb 0.00 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2gmg h LYS 57 CO -0.00 0.96 -0.02 0.00 -0.57 0.00 0.00 179.45 179.82 2gmg h ARG 58 N 0.05 0.00 -0.23 3.15 3.08 -1.47 -2.75 114.38 116.21 2gmg h ARG 58 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 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 0.12 0.02 0.00 -1.91 -1.07 0.00 0.00 179.97 177.12 2gmg n GLU 59 N -3.11 1.79 -2.50 0.04 2.13 0.20 -4.94 120.64 114.25 2gmg n GLU 59 Ca 0.01 -1.20 -0.19 0.00 0.66 0.00 0.00 57.16 56.45 2gmg n GLU 59 Cb 0.34 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2gmg n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gmg n GLY 60 N 1.13 -0.38 3.51 8.31 0.00 -1.04 -5.02 105.19 111.70 2gmg n GLY 60 Ca 0.15 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.08 2.04 -0.18 1.61 1.00 0.42 -4.56 119.30 114.56 2gmg s MET 61 Ca 0.07 -1.03 -0.02 0.00 0.00 0.00 0.00 55.69 54.71 2gmg s MET 61 Cb -0.03 -2.23 -0.01 0.00 0.00 0.00 0.00 34.83 32.56 2gmg s MET 61 CO 0.08 0.52 -0.09 0.14 0.00 0.00 0.00 175.02 175.67 2gmg s VAL 62 N -1.08 3.13 -0.23 -6.03 -7.23 -1.25 -4.00 120.40 103.71 2gmg s VAL 62 Ca 0.18 -0.60 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 2gmg s VAL 62 Cb -0.11 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2gmg s VAL 62 CO 0.09 0.48 0.12 -0.76 -0.31 0.00 0.00 175.10 174.73 2gmg s LEU 63 N 0.93 3.92 -0.16 1.32 1.43 -1.26 -3.26 118.68 121.59 2gmg s LEU 63 Ca -0.02 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2gmg s LEU 63 Cb -0.15 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2gmg s LEU 63 CO -0.00 0.06 0.01 -0.76 0.23 0.00 0.00 176.35 175.89 2gmg s LEU 64 N 1.07 3.52 -0.11 1.79 1.43 -1.20 -5.04 118.68 120.14 2gmg s LEU 64 Ca 0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2gmg s LEU 64 Cb -0.14 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2gmg s LEU 64 CO 0.04 0.19 -0.13 -0.63 0.23 0.00 0.00 176.35 176.05 2gmg s ILE 65 N 0.24 3.08 0.10 -0.59 1.09 -1.26 -3.42 121.20 120.44 2gmg s ILE 65 Ca 0.00 -0.67 -0.30 0.00 -1.10 0.00 0.00 60.65 58.59 2gmg s ILE 65 Cb -0.13 -2.27 -0.06 0.00 -1.06 0.00 0.00 42.46 38.94 2gmg s ILE 65 CO 0.02 0.54 0.96 -0.54 -0.10 0.00 0.00 174.94 175.81 2gmg s LYS 66 N 0.09 4.68 0.02 2.79 1.02 -1.04 -4.94 119.74 122.36 2gmg s LYS 66 Ca -0.05 1.44 -0.30 0.00 0.02 0.00 0.00 55.97 57.07 2gmg s LYS 66 Cb -0.15 -3.38 -0.07 0.00 -0.52 0.00 0.00 37.83 33.72 2gmg s LYS 66 CO 0.04 0.20 1.53 -2.14 -0.92 0.00 0.00 175.35 174.06 2gmg s PRO 67 N 0.06 4.24 0.33 -1.68 0.02 -1.26 -4.05 135.00 132.66 2gmg s PRO 67 Ca 0.47 2.13 -0.28 0.00 0.02 0.00 0.00 61.00 63.34 2gmg s PRO 67 Cb -0.23 -3.63 -0.10 0.00 0.02 0.00 0.00 34.50 30.57 2gmg s PRO 67 CO 0.29 -0.67 1.24 0.00 -0.33 0.00 0.00 177.00 177.53 2gmg s ALA 68 N 2.67 3.42 0.06 -1.55 0.00 -1.25 -4.92 121.76 120.18 2gmg s ALA 68 Ca 0.69 1.13 -0.00 0.00 0.00 0.00 0.00 51.96 53.77 2gmg s ALA 68 Cb -0.35 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 2gmg s ALA 68 CO 0.29 -0.51 -0.04 1.14 0.00 0.00 0.00 175.76 176.64 2gmg s GLN 69 N -1.80 0.64 -0.19 0.00 -2.07 -1.24 -1.58 119.66 113.42 2gmg s GLN 69 Ca 0.49 -1.22 -0.21 0.00 -1.82 0.00 0.00 55.36 52.60 2gmg s GLN 69 Cb -0.36 0.13 -0.02 0.00 -1.09 0.00 0.00 33.01 31.66 2gmg s GLN 69 CO 0.48 -0.09 0.65 0.00 -1.32 0.00 0.00 175.29 175.01 2gmg n ARG 71 N 5.04 0.62 -0.09 0.00 1.74 -0.63 -2.65 116.66 120.71 2gmg n ARG 71 Ca -0.01 -0.35 -0.23 0.00 -0.77 0.00 0.00 57.85 56.49 2gmg n ARG 71 Cb 0.50 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.88 0.63 0.03 5.56 5.02 -1.26 -4.51 118.16 122.75 2gmg n LYS 72 Ca 0.11 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 56.90 2gmg n LYS 72 Cb 0.34 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.23 2.77 3.67 0.00 0.00 -1.08 -5.04 105.19 106.73 2gmg n GLY 74 Ca -0.03 0.00 -0.45 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 2.18 -4.14 1.61 7.35 -1.25 -4.78 117.46 116.43 2gmg n PHE 75 Ca 0.00 0.43 -0.34 0.00 -0.76 0.00 0.00 57.45 56.77 2gmg n PHE 75 Cb 0.00 -2.46 -0.11 0.00 0.35 0.00 0.00 39.48 37.25 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 -0.03 4.25 0.10 -2.13 -7.23 -1.26 -0.48 120.40 113.62 2gmg s VAL 76 Ca 0.68 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 2gmg s VAL 76 Cb -0.65 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 2gmg s VAL 76 CO 0.49 0.45 0.25 -0.36 -0.31 0.00 0.00 175.10 175.63 2gmg s PHE 77 N 0.61 3.51 0.58 2.82 0.40 -0.61 -4.96 117.98 120.33 2gmg s PHE 77 Ca 0.00 0.24 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 2gmg s PHE 77 Cb -0.14 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 2gmg s PHE 77 CO 0.02 0.55 1.24 0.15 0.70 0.00 0.00 175.22 177.88 2gmg s LYS 78 N -2.76 3.00 0.14 0.44 1.02 -1.26 -3.91 119.74 116.41 2gmg s LYS 78 Ca 0.35 1.92 -0.31 0.00 0.02 0.00 0.00 55.97 57.95 2gmg s LYS 78 Cb -0.12 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.08 2gmg s LYS 78 CO 0.28 -1.21 1.73 0.00 -0.92 0.00 0.00 175.35 175.23 2gmg s ALA 79 N -1.51 3.80 0.21 5.17 0.00 -1.26 -4.41 121.76 123.77 2gmg s ALA 79 Ca 0.76 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.16 2gmg s ALA 79 Cb -0.33 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 2gmg s ALA 79 CO 0.36 -1.05 0.10 -1.21 0.00 0.00 0.00 175.76 173.96 2gmg s GLU 80 N 2.04 1.25 0.00 0.00 2.02 -1.26 -4.99 118.70 117.76 2gmg s GLU 80 Ca 0.76 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2gmg s GLU 80 Cb -0.46 0.02 0.00 0.00 0.10 0.00 0.00 34.13 33.79 2gmg s GLU 80 CO 0.34 -0.32 0.00 0.44 0.02 0.00 0.00 175.26 175.74 2gmg n ILE 81 N -0.33 0.00 -1.83 -1.63 -5.35 -1.26 -4.83 119.36 104.13 2gmg n ILE 81 Ca -0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 2gmg n ILE 81 Cb 0.66 -0.88 0.04 0.00 -1.74 0.00 0.00 39.64 37.71 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 -0.74 5.25 -0.13 7.28 0.01 -1.26 -4.98 114.94 120.37 2gmg s ASN 82 Ca 0.00 2.69 -0.04 0.00 -0.71 0.00 0.00 52.86 54.80 2gmg s ASN 82 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 2gmg s ASN 82 CO 0.00 -1.58 0.03 -0.63 -1.51 0.00 0.00 177.10 173.42 2gmg s ILE 83 N -1.35 4.56 0.54 0.60 1.01 -1.26 -5.12 121.20 120.18 2gmg s ILE 83 Ca 0.73 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 2gmg s ILE 83 Cb -0.39 -2.98 -0.06 0.00 0.01 0.00 0.00 42.46 39.05 2gmg s ILE 83 CO 0.45 0.55 1.05 -2.84 0.00 0.00 0.00 174.94 174.15 2gmg s PRO 84 N -0.37 3.57 0.17 2.79 0.02 -1.26 -5.00 135.00 134.91 2gmg s PRO 84 Ca 0.08 1.28 0.16 0.00 0.02 0.00 0.00 61.00 62.54 2gmg s PRO 84 Cb -0.12 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 2gmg s PRO 84 CO 0.02 -0.61 1.12 0.77 -0.33 0.00 0.00 177.00 177.97 2gmg h SER 85 N 1.01 0.00 -4.24 2.53 0.02 -2.00 -3.47 113.55 107.41 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 1.22 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.52 2gmg h SER 85 CO 0.58 0.51 -0.57 -0.13 -1.14 0.00 0.00 176.83 176.09 2gmg s ARG 86 N -2.97 0.25 0.22 3.45 0.52 -1.26 -4.95 118.95 114.21 2gmg s ARG 86 Ca 0.00 -0.07 -0.26 0.00 -0.52 0.00 0.00 55.73 54.89 2gmg s ARG 86 Cb 0.08 0.11 -0.09 0.00 0.52 0.00 0.00 34.95 35.58 2gmg s ARG 86 CO 0.78 -0.05 0.83 0.00 0.02 0.00 0.00 175.30 176.88 2gmg n PRO 88 N 1.26 0.12 0.00 0.00 -0.04 -1.26 -4.44 135.00 130.64 2gmg n PRO 88 Ca -0.03 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2gmg n PRO 88 Cb 0.49 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2gmg n PRO 88 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2gmg n LYS 89 N -1.93 0.00 0.00 0.54 5.02 -1.26 -5.11 118.16 115.42 2gmg n LYS 89 Ca 0.04 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2gmg n LYS 89 Cb 0.25 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 2gmg n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gmg s LYS 91 N 1.45 3.11 -0.47 0.00 1.02 -1.26 -4.74 119.74 118.85 2gmg s LYS 91 Ca 0.00 0.35 0.04 0.00 0.02 0.00 0.00 55.97 56.37 2gmg s LYS 91 Cb 0.00 -2.15 0.19 0.00 -0.52 0.00 0.00 37.83 35.35 2gmg s LYS 91 CO 0.00 -0.74 0.81 0.45 -0.92 0.00 0.00 175.35 174.95 2gmg s SER 92 N -4.28 -1.19 0.12 2.83 0.15 -1.26 -4.34 113.70 105.74 2gmg s SER 92 Ca 0.55 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2gmg s SER 92 Cb -0.11 1.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2gmg s SER 92 CO 0.49 -0.05 0.00 -0.62 1.20 0.00 0.00 173.24 174.26 2gmg n GLU 93 N 3.00 0.00 -3.41 5.44 1.02 -1.26 -4.91 120.64 120.51 2gmg n GLU 93 Ca 0.16 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.86 2gmg n GLU 93 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.95 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 -2.00 3.52 0.07 -0.32 0.52 -1.26 -5.05 118.94 114.42 2gmg s TRP 94 Ca 0.00 -1.86 0.07 0.00 0.02 0.00 0.00 56.10 54.33 2gmg s TRP 94 Cb 0.00 -3.68 -0.03 0.00 -1.15 0.00 0.00 33.47 28.61 2gmg s TRP 94 CO 0.00 -0.98 -0.20 0.96 0.02 0.00 0.00 176.95 176.75 2gmg s ILE 95 N 0.75 1.64 -0.07 2.03 -4.36 -1.26 -1.60 121.20 118.32 2gmg s ILE 95 Ca 0.11 -1.34 -0.20 0.00 -0.26 0.00 0.00 60.65 58.97 2gmg s ILE 95 Cb -0.20 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 2gmg s ILE 95 CO -0.03 0.07 0.55 -1.61 0.24 0.00 0.00 174.94 174.15 2gmg s GLU 96 N -1.50 4.33 0.24 0.37 2.02 0.26 -4.96 118.70 119.47 2gmg s GLU 96 Ca 0.06 0.61 -0.23 0.00 0.02 0.00 0.00 54.97 55.42 2gmg s GLU 96 Cb -0.09 -3.40 -0.09 0.00 0.10 0.00 0.00 34.13 30.65 2gmg s GLU 96 CO 0.03 0.22 0.81 -1.21 0.02 0.00 0.00 175.26 175.13 2gmg s GLU 97 N 0.37 4.46 0.78 1.61 2.02 -1.26 -3.63 118.70 123.05 2gmg s GLU 97 Ca 0.29 1.11 -0.12 0.00 0.02 0.00 0.00 54.97 56.27 2gmg s GLU 97 Cb -0.16 -2.96 0.06 0.00 0.10 0.00 0.00 34.13 31.17 2gmg s GLU 97 CO 0.14 0.41 1.13 -2.14 0.02 0.00 0.00 175.26 174.82 2gmg s PRO 98 N -1.77 2.03 -0.09 0.39 0.02 -1.26 -4.90 135.00 129.42 2gmg s PRO 98 Ca 0.43 1.43 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 2gmg s PRO 98 Cb -0.19 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 2gmg s PRO 98 CO 0.24 -1.85 -0.05 1.03 -0.33 0.00 0.00 177.00 176.04 2gmg s ARG 99 N -4.47 3.00 -0.16 5.54 0.52 -1.26 -4.92 118.95 117.20 2gmg s ARG 99 Ca 0.66 -0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 55.36 2gmg s ARG 99 Cb -0.22 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 2gmg s ARG 99 CO 0.51 0.58 -0.12 -0.06 0.02 0.00 0.00 175.30 176.24 2gmg s PHE 100 N -0.58 2.84 0.03 -0.53 0.08 -1.26 -2.50 117.98 116.06 2gmg s PHE 100 Ca 0.09 -0.85 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 2gmg s PHE 100 Cb -0.12 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2gmg s PHE 100 CO 0.02 -0.37 0.01 0.15 -0.10 0.00 0.00 175.22 174.93 2gmg s LYS 101 N 0.75 0.50 -0.12 0.44 1.02 -1.22 -4.42 119.74 116.68 2gmg s LYS 101 Ca -0.05 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.12 2gmg s LYS 101 Cb -0.15 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 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.63 2gmg s LEU 102 N -2.13 2.30 -0.05 3.17 1.02 -1.26 -3.26 118.68 118.48 2gmg s LEU 102 Ca -0.05 -0.49 0.06 0.00 0.02 0.00 0.00 54.13 53.67 2gmg s LEU 102 Cb -0.01 -1.49 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 2gmg s LEU 102 CO -0.05 0.14 -0.25 -0.70 0.02 0.00 0.00 176.35 175.52 2gmg s GLU 103 N 0.46 2.43 0.40 1.70 2.12 -1.20 -4.80 118.70 119.80 2gmg s GLU 103 Ca -0.14 -0.90 -0.23 0.00 0.36 0.00 0.00 54.97 54.06 2gmg s GLU 103 Cb -0.17 -2.15 -0.10 0.00 0.26 0.00 0.00 34.13 31.98 2gmg s GLU 103 CO 0.06 0.45 1.00 1.03 -0.54 0.00 0.00 175.26 177.25 2gmg s ARG 104 N -0.32 4.24 0.00 4.30 0.52 -1.26 -3.82 118.95 122.61 2gmg s ARG 104 Ca 0.01 1.35 0.09 0.00 -0.52 0.00 0.00 55.73 56.66 2gmg s ARG 104 Cb -0.12 -2.46 0.07 0.00 0.52 0.00 0.00 34.95 32.96 2gmg s ARG 104 CO 0.02 -0.04 0.78 1.63 0.02 0.00 0.00 175.30 177.71