#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gem s ALA 6 N 0.00 2.92 0.66 -1.46 0.00 -1.26 -4.81 121.76 117.81 3gem s ALA 6 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 3gem s ALA 6 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3gem s ALA 6 CO 0.00 -0.37 1.05 -1.25 0.00 0.00 0.00 175.76 175.20 3gem s PRO 7 N -3.75 3.11 -0.20 0.00 0.04 -1.26 -4.07 135.00 128.88 3gem s PRO 7 Ca 0.63 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 3gem s PRO 7 Cb -0.13 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3gem s PRO 7 CO 0.28 -0.97 0.05 0.42 0.04 0.00 0.00 177.00 176.82 3gem s ILE 8 N -2.87 4.50 -0.11 0.56 1.01 -0.19 -0.48 121.20 123.61 3gem s ILE 8 Ca 0.59 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.91 3gem s ILE 8 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3gem s ILE 8 CO 0.49 0.43 0.59 -0.22 0.00 0.00 0.00 174.94 176.23 3gem s LEU 9 N 0.74 4.27 -0.18 2.97 2.96 -0.43 -0.93 118.68 128.08 3gem s LEU 9 Ca 0.03 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 3gem s LEU 9 Cb -0.14 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.71 3gem s LEU 9 CO 0.02 -0.09 -0.14 -0.51 -1.32 0.00 0.00 176.35 174.31 3gem s ILE 10 N 0.90 1.74 0.40 6.68 2.07 -0.49 0.06 121.20 132.56 3gem s ILE 10 Ca 0.31 -0.90 -0.21 0.00 -1.41 0.00 0.00 60.65 58.44 3gem s ILE 10 Cb -0.16 -1.70 -0.11 0.00 0.13 0.00 0.00 42.46 40.62 3gem s ILE 10 CO 0.13 0.33 0.91 0.42 -1.91 0.00 0.00 174.94 174.83 3gem s THR 11 N 1.39 4.42 -1.23 4.00 -4.23 -0.72 -2.44 115.64 116.83 3gem s THR 11 Ca 0.02 1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 61.96 3gem s THR 11 Cb -0.15 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.04 3gem s THR 11 CO -0.10 -0.24 1.01 0.61 -0.54 0.00 0.00 174.62 175.36 3gem n GLY 12 N -0.44 -0.38 0.55 3.99 0.00 -1.03 -2.48 105.19 105.39 3gem n GLY 12 Ca 0.06 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3gem n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gem n ALA 13 N -4.27 2.49 0.48 4.61 0.00 -0.75 -2.56 120.51 120.52 3gem n ALA 13 Ca -0.25 -0.52 0.12 0.00 0.00 0.00 0.00 53.44 52.79 3gem n ALA 13 Cb 0.65 -1.05 0.22 0.00 0.00 0.00 0.00 19.45 19.27 3gem n ALA 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gem h SER 14 N 1.96 0.00 -4.11 0.00 4.64 -1.90 -2.58 113.55 111.55 3gem h SER 14 Ca 0.00 -0.10 -0.54 0.00 -0.47 0.00 0.00 61.79 60.68 3gem h SER 14 Cb 0.44 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.67 3gem h SER 14 CO 0.00 0.05 0.48 -1.10 -0.87 0.00 0.00 176.83 175.39 3gem s GLN 15 N -3.18 2.67 0.16 4.77 -0.21 -1.06 -4.75 119.66 118.06 3gem s GLN 15 Ca 0.07 1.93 -0.26 0.00 0.02 0.00 0.00 55.36 57.12 3gem s GLN 15 Cb 0.12 -1.88 0.02 0.00 1.00 0.00 0.00 33.01 32.27 3gem s GLN 15 CO 0.69 -1.47 1.58 -0.09 -2.12 0.00 0.00 175.29 173.88 3gem h ARG 16 N 0.58 -0.29 -0.39 2.91 2.43 -1.90 0.03 114.38 117.76 3gem h ARG 16 Ca -0.50 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 3gem h ARG 16 Cb 1.32 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 3gem h ARG 16 CO 0.53 -0.19 0.03 0.28 -1.51 0.00 0.00 179.97 179.11 3gem h VAL 17 N -0.30 1.25 -0.60 0.20 2.07 -1.94 -2.35 116.25 114.59 3gem h VAL 17 Ca 0.15 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3gem h VAL 17 Cb 0.57 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3gem h VAL 17 CO -0.58 0.32 0.08 1.23 0.02 0.00 0.00 177.57 178.64 3gem h GLY 18 N 0.51 1.05 0.85 2.17 0.00 -1.73 -0.89 103.07 105.03 3gem h GLY 18 Ca 0.11 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3gem h GLY 18 CO 0.01 0.64 -0.03 -2.00 0.00 0.00 0.00 176.54 175.16 3gem h LEU 19 N 0.92 -0.08 -0.22 3.11 5.85 -0.57 -0.34 115.31 123.97 3gem h LEU 19 Ca 0.18 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gem h LEU 19 Cb 0.42 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3gem h LEU 19 CO 0.01 0.09 0.09 -0.74 -0.34 0.00 0.00 178.44 177.55 3gem h HIS 20 N -0.25 0.17 -0.49 1.25 2.76 -1.26 -0.64 115.15 116.68 3gem h HIS 20 Ca -0.01 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3gem h HIS 20 Cb 0.22 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 3gem h HIS 20 CO -0.02 0.09 0.31 0.00 -1.30 0.00 0.00 177.93 177.01 3gem h ALA 22 N 1.20 0.53 -0.90 0.00 0.00 -0.86 -0.03 119.26 119.20 3gem h ALA 22 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gem h ALA 22 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3gem h ALA 22 CO -0.06 0.08 0.53 -0.07 0.00 0.00 0.00 179.25 179.74 3gem h LEU 23 N 0.53 1.09 -0.62 0.00 3.38 -0.94 -1.33 115.31 117.43 3gem h LEU 23 Ca 0.14 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3gem h LEU 23 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3gem h LEU 23 CO -0.02 0.85 -0.35 0.03 0.09 0.00 0.00 178.44 179.04 3gem h ARG 24 N 1.25 0.70 -0.46 1.13 2.47 -0.95 -0.10 114.38 118.41 3gem h ARG 24 Ca 0.32 -0.34 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 3gem h ARG 24 Cb -0.04 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3gem h ARG 24 CO -0.06 0.94 0.13 -0.07 0.56 0.00 0.00 179.97 181.48 3gem h LEU 25 N 0.58 0.68 -0.27 3.04 3.38 -0.67 -1.00 115.31 121.06 3gem h LEU 25 Ca 0.06 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3gem h LEU 25 Cb 0.87 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3gem h LEU 25 CO 0.08 0.72 0.15 -0.07 0.09 0.00 0.00 178.44 179.41 3gem h LEU 26 N 0.61 0.24 -1.47 1.67 3.38 -1.03 -1.44 115.31 117.28 3gem h LEU 26 Ca 0.15 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.26 3gem h LEU 26 Cb 0.29 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3gem h LEU 26 CO -0.00 0.18 0.52 -0.08 0.09 0.00 0.00 178.44 179.14 3gem h GLU 27 N 0.31 0.52 -0.12 1.13 4.81 -0.67 -1.28 114.58 119.29 3gem h GLU 27 Ca 0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gem h GLU 27 Cb 0.01 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3gem h GLU 27 CO -0.06 0.35 0.00 0.72 -0.73 0.00 0.00 179.01 179.29 3gem n HIS 28 N -4.50 0.16 -0.27 0.92 8.25 -0.41 -4.90 115.22 114.47 3gem n HIS 28 Ca 0.15 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3gem n HIS 28 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3gem n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gem n GLY 29 N 0.95 0.72 3.80 -1.41 0.00 -0.48 -5.06 105.19 103.71 3gem n GLY 29 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3gem n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gem s HIS 30 N -2.34 3.13 0.21 1.61 3.76 -0.63 -5.00 115.29 116.03 3gem s HIS 30 Ca 0.00 1.60 -0.30 0.00 -0.15 0.00 0.00 55.06 56.21 3gem s HIS 30 Cb 0.00 -3.00 -0.08 0.00 1.11 0.00 0.00 32.58 30.61 3gem s HIS 30 CO 0.00 -0.56 0.94 1.03 -0.85 0.00 0.00 174.74 175.30 3gem s ARG 31 N -3.14 4.81 -0.02 1.40 0.52 -1.26 -4.27 118.95 116.99 3gem s ARG 31 Ca 0.65 1.47 0.02 0.00 -0.52 0.00 0.00 55.73 57.35 3gem s ARG 31 Cb -0.14 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.03 3gem s ARG 31 CO 0.18 0.45 -0.07 0.08 0.02 0.00 0.00 175.30 175.96 3gem s VAL 32 N -0.90 0.65 -0.08 3.52 1.01 -1.26 -1.03 120.40 122.32 3gem s VAL 32 Ca 0.42 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3gem s VAL 32 Cb -0.25 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3gem s VAL 32 CO 0.31 0.21 -0.14 -0.63 0.00 0.00 0.00 175.10 174.85 3gem s ILE 33 N 0.18 3.06 0.15 2.22 1.01 -0.10 -1.46 121.20 126.25 3gem s ILE 33 Ca -0.02 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 60.03 3gem s ILE 33 Cb -0.07 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3gem s ILE 33 CO 0.00 0.57 -0.22 0.27 0.00 0.00 0.00 174.94 175.56 3gem s ILE 34 N -0.33 2.54 0.07 2.92 -5.25 -0.08 -1.39 121.20 119.69 3gem s ILE 34 Ca 0.03 -1.75 0.02 0.00 -0.99 0.00 0.00 60.65 57.96 3gem s ILE 34 Cb -0.13 -2.18 -0.04 0.00 2.95 0.00 0.00 42.46 43.07 3gem s ILE 34 CO 0.02 0.02 0.13 -0.94 -1.79 0.00 0.00 174.94 172.38 3gem s SER 35 N -2.33 5.86 0.01 4.36 1.04 -1.02 -1.01 113.70 120.61 3gem s SER 35 Ca 0.18 0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.64 3gem s SER 35 Cb -0.09 -1.67 -0.00 0.00 0.10 0.00 0.00 66.02 64.35 3gem s SER 35 CO 0.09 0.17 0.13 -0.72 0.98 0.00 0.00 173.24 173.89 3gem s TYR 36 N -1.45 0.06 -0.42 5.02 -0.85 -0.76 -1.81 117.35 117.15 3gem s TYR 36 Ca 0.32 -0.19 0.10 0.00 -0.52 0.00 0.00 57.07 56.78 3gem s TYR 36 Cb -0.12 -0.06 -0.11 0.00 0.38 0.00 0.00 41.96 42.04 3gem s TYR 36 CO 0.24 -0.30 0.40 2.89 -1.52 0.00 0.00 175.55 177.26 3gem n ARG 37 N 1.36 3.42 -3.68 -3.49 1.85 -1.26 -1.03 116.66 113.83 3gem n ARG 37 Ca -0.22 -0.01 -0.18 0.00 -1.00 0.00 0.00 57.85 56.44 3gem n ARG 37 Cb 0.56 -0.99 -0.17 0.00 -1.05 0.00 0.00 32.46 30.81 3gem n ARG 37 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3gem s THR 38 N -2.00 -0.17 0.24 8.89 2.01 -1.26 -4.96 115.64 118.39 3gem s THR 38 Ca 0.03 0.37 -0.31 0.00 0.31 0.00 0.00 61.69 62.08 3gem s THR 38 Cb 0.07 -0.21 -0.12 0.00 0.01 0.00 0.00 72.50 72.25 3gem s THR 38 CO 0.40 0.15 1.68 -0.70 -0.69 0.00 0.00 174.62 175.46 3gem s GLU 39 N 2.07 4.12 -0.01 4.92 2.56 -1.26 -4.85 118.70 126.25 3gem s GLU 39 Ca 0.02 2.60 -0.28 0.00 0.00 0.00 0.00 54.97 57.31 3gem s GLU 39 Cb -0.12 -3.05 0.10 0.00 2.00 0.00 0.00 34.13 33.05 3gem s GLU 39 CO -0.04 -0.71 0.83 -1.58 -0.56 0.00 0.00 175.26 173.19 3gem s HIS 40 N 0.74 -0.42 0.40 5.30 5.65 -1.26 -5.01 115.29 120.69 3gem s HIS 40 Ca 0.71 0.41 0.14 0.00 0.25 0.00 0.00 55.06 56.57 3gem s HIS 40 Cb -0.49 0.51 0.99 0.00 -1.18 0.00 0.00 32.58 32.41 3gem s HIS 40 CO 0.38 -0.58 1.88 0.00 -0.65 0.00 0.00 174.74 175.77 3gem h ALA 41 N 2.21 2.05 -0.31 1.58 0.00 -2.00 0.65 119.26 123.45 3gem h ALA 41 Ca -0.24 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3gem h ALA 41 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3gem h ALA 41 CO 0.33 -0.31 0.06 0.66 0.00 0.00 0.00 179.25 180.00 3gem h SER 42 N 0.50 0.42 -0.26 0.00 4.64 -1.96 0.45 113.55 117.35 3gem h SER 42 Ca 0.44 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.59 3gem h SER 42 Cb 0.94 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3gem h SER 42 CO -0.17 0.44 -0.29 0.58 -0.87 0.00 0.00 176.83 176.51 3gem h VAL 43 N 0.45 1.31 -0.91 0.95 2.07 -1.21 -1.68 116.25 117.23 3gem h VAL 43 Ca 0.11 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.21 3gem h VAL 43 Cb 0.20 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3gem h VAL 43 CO -0.00 0.46 0.58 0.74 0.02 0.00 0.00 177.57 179.37 3gem h THR 44 N 0.37 1.08 -0.53 2.57 2.02 -1.10 -1.09 112.91 116.25 3gem h THR 44 Ca 0.04 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3gem h THR 44 Cb 0.86 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3gem h THR 44 CO 0.07 0.20 0.35 -0.08 0.37 0.00 0.00 175.52 176.42 3gem h GLU 45 N 1.07 0.70 -0.39 6.66 4.81 -0.69 0.07 114.58 126.81 3gem h GLU 45 Ca 0.39 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3gem h GLU 45 Cb 0.12 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3gem h GLU 45 CO -0.16 0.47 0.13 -0.07 -0.73 0.00 0.00 179.01 178.65 3gem h LEU 46 N 0.72 0.57 -0.25 1.64 3.38 -1.01 -0.41 115.31 119.95 3gem h LEU 46 Ca 0.19 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3gem h LEU 46 Cb -0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3gem h LEU 46 CO -0.04 0.61 0.10 0.03 0.09 0.00 0.00 178.44 179.23 3gem h ARG 47 N 0.49 0.21 -0.05 1.13 3.08 -0.87 0.56 114.38 118.92 3gem h ARG 47 Ca 0.13 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3gem h ARG 47 Cb 0.25 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3gem h ARG 47 CO -0.01 0.14 -0.11 1.96 -1.07 0.00 0.00 179.97 180.88 3gem h GLN 48 N 0.22 0.08 0.00 0.04 4.20 -0.78 -1.42 115.11 117.45 3gem h GLN 48 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3gem h GLN 48 Cb 0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3gem h GLN 48 CO -0.10 0.20 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 3gem n ALA 49 N -2.51 2.21 0.00 3.87 0.00 -0.18 -4.92 120.51 118.99 3gem n ALA 49 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gem n ALA 49 Cb 0.21 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3gem n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gem n GLY 50 N 1.21 1.00 3.79 0.00 0.00 -0.53 -4.96 105.19 105.69 3gem n GLY 50 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3gem n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gem s ALA 51 N -2.00 3.16 -0.07 4.61 0.00 0.12 -4.71 121.76 122.88 3gem s ALA 51 Ca 0.00 0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 3gem s ALA 51 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 3gem s ALA 51 CO 0.00 0.15 0.76 0.08 0.00 0.00 0.00 175.76 176.75 3gem s VAL 52 N -1.76 5.00 -0.25 0.00 1.01 -0.54 -4.13 120.40 119.74 3gem s VAL 52 Ca 0.53 1.57 -0.05 0.00 0.00 0.00 0.00 61.98 64.04 3gem s VAL 52 Cb -0.16 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 3gem s VAL 52 CO 0.21 0.21 0.00 0.00 0.00 0.00 0.00 175.10 175.52 3gem s ALA 53 N 1.00 2.92 -0.10 5.51 0.00 -1.26 -0.90 121.76 128.92 3gem s ALA 53 Ca 0.40 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3gem s ALA 53 Cb -0.18 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 3gem s ALA 53 CO 0.19 -0.62 -0.11 -0.51 0.00 0.00 0.00 175.76 174.71 3gem s LEU 54 N 1.48 2.90 0.39 0.00 1.43 -0.18 -5.00 118.68 119.70 3gem s LEU 54 Ca 0.04 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 3gem s LEU 54 Cb -0.15 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 3gem s LEU 54 CO -0.01 0.25 1.21 -0.47 0.23 0.00 0.00 176.35 177.57 3gem s TYR 55 N -0.17 3.02 -0.22 0.29 5.04 -1.26 -1.83 117.35 122.23 3gem s TYR 55 Ca 0.01 1.51 -0.05 0.00 -2.44 0.00 0.00 57.07 56.09 3gem s TYR 55 Cb -0.13 -3.49 0.11 0.00 0.35 0.00 0.00 41.96 38.80 3gem s TYR 55 CO 0.03 -1.53 0.41 0.20 -1.34 0.00 0.00 175.55 173.32 3gem s GLY 56 N -0.96 -0.40 -0.45 8.97 0.00 -0.20 -4.73 107.32 109.55 3gem s GLY 56 Ca 0.56 1.35 -0.09 0.00 0.00 0.00 0.00 44.72 46.54 3gem s GLY 56 CO 0.43 2.52 0.31 -0.35 0.00 0.00 0.00 173.10 176.01 3gem s ASP 57 N 2.60 5.65 -0.01 1.64 2.15 -1.26 -4.09 116.67 123.34 3gem s ASP 57 Ca 0.03 -1.84 0.14 0.00 0.43 0.00 0.00 52.55 51.31 3gem s ASP 57 Cb -0.13 -1.99 0.44 0.00 -0.30 0.00 0.00 42.92 40.94 3gem s ASP 57 CO -0.14 -0.65 1.35 0.49 -0.17 0.00 0.00 175.17 176.06 3gem n PHE 58 N 4.88 0.71 0.38 -5.34 3.72 -1.26 -3.14 117.46 117.40 3gem n PHE 58 Ca -0.08 -0.34 0.11 0.00 -0.05 0.00 0.00 57.45 57.09 3gem n PHE 58 Cb 0.41 -0.03 0.47 0.00 -0.94 0.00 0.00 39.48 39.39 3gem n PHE 58 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3gem n SER 59 N 0.88 0.56 -3.55 4.37 3.41 -1.26 -2.91 113.62 115.11 3gem n SER 59 Ca 0.16 0.65 -0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3gem n SER 59 Cb 0.45 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3gem n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gem h GLU 61 N 2.25 0.67 -0.37 0.00 4.81 -1.92 -1.72 114.58 118.30 3gem h GLU 61 Ca -0.34 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 3gem h GLU 61 Cb 1.27 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3gem h GLU 61 CO 0.43 0.44 0.04 1.79 -0.73 0.00 0.00 179.01 180.98 3gem h THR 62 N 0.69 1.19 -0.26 0.32 1.35 -1.97 -2.62 112.91 111.61 3gem h THR 62 Ca 0.27 -0.75 -0.12 0.00 -0.55 0.00 0.00 66.41 65.26 3gem h THR 62 Cb 0.11 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 3gem h THR 62 CO -0.15 0.26 -0.35 1.23 -0.25 0.00 0.00 175.52 176.26 3gem h GLY 63 N 0.83 0.64 -1.03 5.82 0.00 -1.53 -1.17 103.07 106.63 3gem h GLY 63 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3gem h GLY 63 CO 0.01 0.55 0.00 1.39 0.00 0.00 0.00 176.54 178.48 3gem n ILE 64 N -4.06 0.01 0.00 2.60 5.41 -0.72 -1.44 119.36 121.17 3gem n ILE 64 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3gem n ILE 64 Cb 0.49 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 3gem n ILE 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gem n ALA 66 N 0.37 0.00 -0.08 -1.39 0.00 -0.44 -1.25 120.51 117.71 3gem n ALA 66 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3gem n ALA 66 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 3gem n ALA 66 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gem h PHE 67 N 0.00 0.42 -0.89 0.00 3.57 -1.51 -1.74 116.94 116.79 3gem h PHE 67 Ca 0.00 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.53 3gem h PHE 67 Cb 0.00 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.55 3gem h PHE 67 CO 0.00 0.48 0.55 0.82 -2.23 0.00 0.00 178.31 177.93 3gem h ILE 68 N 0.24 1.00 -0.60 1.41 2.04 -1.44 0.11 117.51 120.27 3gem h ILE 68 Ca 0.08 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3gem h ILE 68 Cb 0.26 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 3gem h ILE 68 CO -0.00 0.18 0.23 0.44 0.00 0.00 0.00 178.15 178.99 3gem h ASP 69 N 0.96 0.84 -0.28 1.72 3.32 -1.77 -1.72 116.42 119.49 3gem h ASP 69 Ca 0.41 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3gem h ASP 69 Cb 0.26 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3gem h ASP 69 CO -0.20 0.79 0.11 0.25 -1.72 0.00 0.00 179.24 178.46 3gem h LEU 70 N 0.83 0.39 -0.65 1.55 5.85 -0.79 -2.18 115.31 120.32 3gem h LEU 70 Ca 0.20 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3gem h LEU 70 Cb 0.22 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3gem h LEU 70 CO -0.01 0.46 0.36 0.25 -0.34 0.00 0.00 178.44 179.16 3gem h LEU 71 N 0.30 0.54 -1.06 2.25 5.85 -0.57 -2.24 115.31 120.39 3gem h LEU 71 Ca 0.09 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3gem h LEU 71 Cb 0.19 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3gem h LEU 71 CO -0.01 0.36 -0.46 0.11 -0.34 0.00 0.00 178.44 178.10 3gem h LYS 72 N 0.68 0.00 0.00 1.25 1.57 -1.13 -0.76 116.57 118.17 3gem h LYS 72 Ca 0.29 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3gem h LYS 72 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3gem h LYS 72 CO -0.17 0.46 -0.24 1.79 -0.57 0.00 0.00 179.45 180.73 3gem h THR 73 N 0.00 0.85 0.20 -0.16 1.35 -0.83 -3.28 112.91 111.04 3gem h THR 73 Ca -0.00 -0.92 -0.31 0.00 -0.55 0.00 0.00 66.41 64.63 3gem h THR 73 Cb 0.83 1.54 0.02 0.00 -1.73 0.00 0.00 68.15 68.82 3gem h THR 73 CO 0.06 0.23 -1.41 -0.61 -0.25 0.00 0.00 175.52 173.54 3gem h GLN 74 N 0.00 0.42 -2.81 4.72 5.75 -0.69 -3.47 115.11 119.02 3gem h GLN 74 Ca -0.00 -0.71 -0.11 0.00 -0.15 0.00 0.00 58.65 57.68 3gem h GLN 74 Cb 0.53 0.27 -0.20 0.00 1.07 0.00 0.00 27.48 29.14 3gem h GLN 74 CO 0.03 1.34 -0.19 -0.08 -2.65 0.00 0.00 178.83 177.28 3gem s THR 75 N -2.62 0.04 -2.02 2.39 -1.32 -0.77 -5.03 115.64 106.31 3gem s THR 75 Ca -0.07 -0.33 0.23 0.00 -1.21 0.00 0.00 61.69 60.30 3gem s THR 75 Cb 0.05 -0.68 0.01 0.00 -1.51 0.00 0.00 72.50 70.38 3gem s THR 75 CO 0.91 -0.18 1.12 -1.54 -2.21 0.00 0.00 174.62 172.72 3gem n SER 76 N 1.40 1.97 -3.90 8.08 3.41 -1.26 -4.48 113.62 118.83 3gem n SER 76 Ca -0.20 -1.48 -0.09 0.00 -0.26 0.00 0.00 58.87 56.84 3gem n SER 76 Cb 0.56 0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 64.88 3gem n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gem s SER 77 N -2.48 0.14 -0.02 4.04 1.04 -1.26 -4.57 113.70 110.60 3gem s SER 77 Ca 0.19 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.10 3gem s SER 77 Cb 0.18 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3gem s SER 77 CO 0.57 -0.56 -0.01 -0.76 0.98 0.00 0.00 173.24 173.45 3gem s LEU 78 N -2.26 1.59 0.12 2.42 1.43 -0.22 -4.31 118.68 117.45 3gem s LEU 78 Ca -0.03 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.94 3gem s LEU 78 Cb 0.00 -0.19 -0.11 0.00 0.03 0.00 0.00 46.19 45.93 3gem s LEU 78 CO -0.06 -0.03 1.32 -0.09 0.23 0.00 0.00 176.35 177.72 3gem h ARG 79 N 6.66 0.62 -2.37 1.70 9.65 -0.93 -3.37 114.38 126.34 3gem h ARG 79 Ca -0.35 -0.56 0.05 0.00 -1.10 0.00 0.00 59.98 58.02 3gem h ARG 79 Cb 1.17 0.13 -0.16 0.00 -1.39 0.00 0.00 29.97 29.72 3gem h ARG 79 CO 0.49 1.18 0.38 0.00 2.80 0.00 0.00 179.97 184.82 3gem s ALA 80 N -3.56 -1.76 -0.12 2.80 0.00 -1.24 -2.25 121.76 115.62 3gem s ALA 80 Ca -0.08 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.86 3gem s ALA 80 Cb 0.09 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3gem s ALA 80 CO 0.89 -0.63 -0.17 0.08 0.00 0.00 0.00 175.76 175.92 3gem s VAL 81 N -2.84 1.67 -0.31 0.00 1.01 -0.42 -1.32 120.40 118.20 3gem s VAL 81 Ca 0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 3gem s VAL 81 Cb -0.01 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.91 3gem s VAL 81 CO -0.07 0.48 0.04 -0.69 0.00 0.00 0.00 175.10 174.86 3gem s VAL 82 N 0.90 3.34 -1.01 2.92 1.01 0.11 -0.98 120.40 126.69 3gem s VAL 82 Ca -0.07 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 60.47 3gem s VAL 82 Cb -0.15 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.43 3gem s VAL 82 CO -0.01 -0.10 1.36 -1.00 0.00 0.00 0.00 175.10 175.34 3gem s HIS 83 N 1.33 2.77 -0.06 5.22 3.76 0.77 -1.75 115.29 127.32 3gem s HIS 83 Ca -0.03 -1.10 0.16 0.00 -0.15 0.00 0.00 55.06 53.94 3gem s HIS 83 Cb -0.19 -4.55 -0.24 0.00 1.11 0.00 0.00 32.58 28.70 3gem s HIS 83 CO 0.00 -1.77 0.27 -1.71 -0.85 0.00 0.00 174.74 170.69 3gem n ASN 84 N 8.00 1.19 -4.64 1.40 5.15 -1.25 -0.99 115.26 124.13 3gem n ASN 84 Ca 0.31 0.00 -0.49 0.00 -0.60 0.00 0.00 54.58 53.80 3gem n ASN 84 Cb 0.50 1.50 -0.05 0.00 -0.53 0.00 0.00 39.78 41.20 3gem n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gem n ALA 85 N -2.22 0.46 -3.17 5.20 0.00 -1.04 -4.86 120.51 114.89 3gem n ALA 85 Ca -0.10 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 3gem n ALA 85 Cb 0.60 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 3gem n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gem s SER 86 N 0.94 -0.21 -0.06 0.00 0.15 -1.26 -4.72 113.70 108.55 3gem s SER 86 Ca 0.82 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.76 3gem s SER 86 Cb -0.79 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.98 3gem s SER 86 CO 0.42 -0.22 0.02 -0.70 1.20 0.00 0.00 173.24 173.96 3gem s GLU 87 N -0.47 0.33 -0.26 5.44 2.12 -1.26 -5.11 118.70 119.49 3gem s GLU 87 Ca -0.06 0.21 -0.10 0.00 0.36 0.00 0.00 54.97 55.38 3gem s GLU 87 Cb -0.04 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.55 3gem s GLU 87 CO 0.01 -0.30 0.14 -0.46 -0.54 0.00 0.00 175.26 174.12 3gem s TRP 88 N 1.97 3.19 0.13 5.30 -0.00 -1.26 -5.03 118.94 123.24 3gem s TRP 88 Ca 0.04 -0.04 0.10 0.00 -0.00 0.00 0.00 56.10 56.20 3gem s TRP 88 Cb -0.12 -2.31 -0.04 0.00 -0.00 0.00 0.00 33.47 31.00 3gem s TRP 88 CO -0.04 -0.18 -0.23 -0.51 -0.00 0.00 0.00 176.95 175.99 3gem s LEU 89 N 1.57 2.49 0.60 5.86 1.43 -1.26 -5.13 118.68 124.24 3gem s LEU 89 Ca 0.07 -0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 3gem s LEU 89 Cb -0.15 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3gem s LEU 89 CO 0.07 0.17 1.09 0.00 0.23 0.00 0.00 176.35 177.91 3gem s ALA 90 N -1.19 2.63 -1.37 4.21 0.00 -1.26 -4.90 121.76 119.89 3gem s ALA 90 Ca 0.17 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.59 3gem s ALA 90 Cb -0.10 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 19.83 3gem s ALA 90 CO 0.08 -0.96 2.27 0.39 0.00 0.00 0.00 175.76 177.54 3gem n GLU 91 N -1.98 3.91 -2.24 0.00 1.02 -1.26 -4.92 120.64 115.17 3gem n GLU 91 Ca 0.10 -3.20 -0.41 0.00 -0.02 0.00 0.00 57.16 53.62 3gem n GLU 91 Cb 0.52 -2.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.07 3gem n GLU 91 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gem s THR 92 N 0.39 3.30 0.25 2.62 2.01 -1.26 -4.85 115.64 118.10 3gem s THR 92 Ca 0.50 1.04 -0.31 0.00 0.31 0.00 0.00 61.69 63.23 3gem s THR 92 Cb 0.15 -3.67 -0.12 0.00 0.01 0.00 0.00 72.50 68.87 3gem s THR 92 CO -0.05 0.14 1.56 -2.65 -0.69 0.00 0.00 174.62 172.93 3gem n PRO 93 N 2.92 2.45 -0.07 4.92 -0.02 -1.26 -0.87 135.00 143.07 3gem n PRO 93 Ca 0.07 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3gem n PRO 93 Cb 0.43 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3gem n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gem n GLY 94 N 2.59 2.06 0.01 -1.23 0.00 -1.26 -4.82 105.19 102.55 3gem n GLY 94 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 3gem n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gem n GLU 95 N -2.00 2.44 -0.25 1.61 1.02 -0.05 -4.83 120.64 118.58 3gem n GLU 95 Ca 0.00 -1.46 -0.07 0.00 -0.02 0.00 0.00 57.16 55.61 3gem n GLU 95 Cb 0.00 -0.97 0.04 0.00 -0.02 0.00 0.00 31.44 30.49 3gem n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3gem h GLU 96 N 0.00 1.09 -0.16 3.49 3.07 -1.85 -0.43 114.58 119.80 3gem h GLU 96 Ca 0.00 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 3gem h GLU 96 Cb 0.62 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3gem h GLU 96 CO 0.00 0.96 -0.06 0.00 -1.40 0.00 0.00 179.01 178.51 3gem h ALA 97 N 1.08 0.22 -0.59 3.43 0.00 -1.92 -1.04 119.26 120.44 3gem h ALA 97 Ca 0.22 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3gem h ALA 97 Cb 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3gem h ALA 97 CO 0.00 0.01 0.33 -0.44 0.00 0.00 0.00 179.25 179.15 3gem h ASP 98 N -0.00 0.51 -0.35 0.00 3.32 -1.87 -1.08 116.42 116.94 3gem h ASP 98 Ca 0.04 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 3gem h ASP 98 Cb 0.52 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3gem h ASP 98 CO 0.02 0.35 -0.38 0.78 -1.72 0.00 0.00 179.24 178.29 3gem h ASN 99 N 0.64 0.96 -0.37 6.45 2.35 -1.01 -1.36 115.58 123.25 3gem h ASN 99 Ca 0.25 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3gem h ASN 99 Cb 0.11 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3gem h ASN 99 CO -0.14 1.22 0.19 0.15 -1.65 0.00 0.00 177.43 177.20 3gem h PHE 100 N 0.74 0.52 -0.75 1.19 3.57 -0.98 -2.73 116.94 118.50 3gem h PHE 100 Ca 0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3gem h PHE 100 Cb 0.96 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 3gem h PHE 100 CO 0.06 0.42 0.32 1.15 -2.23 0.00 0.00 178.31 178.03 3gem h THR 101 N 0.46 1.25 0.00 4.41 2.02 -1.09 0.69 112.91 120.66 3gem h THR 101 Ca 0.13 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3gem h THR 101 Cb 0.09 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3gem h THR 101 CO -0.02 0.31 0.00 -1.14 0.37 0.00 0.00 175.52 175.04 3gem n ARG 102 N -4.35 0.09 0.00 6.66 0.63 -0.52 -1.12 116.66 118.05 3gem n ARG 102 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3gem n ARG 102 Cb 0.17 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 31.98 3gem n ARG 102 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3gem n PHE 104 N 0.52 0.00 -0.06 -0.14 7.35 0.23 -1.55 117.46 123.81 3gem n PHE 104 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 3gem n PHE 104 Cb 0.03 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.81 3gem n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3gem h SER 105 N 0.00 0.32 -0.19 -2.13 0.87 -1.37 -0.61 113.55 110.44 3gem h SER 105 Ca 0.00 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.21 3gem h SER 105 Cb 0.00 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3gem h SER 105 CO 0.00 0.51 -0.23 0.58 -0.53 0.00 0.00 176.83 177.16 3gem h VAL 106 N 0.13 1.34 -0.01 2.23 2.07 -1.15 -0.34 116.25 120.51 3gem h VAL 106 Ca 0.06 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3gem h VAL 106 Cb 0.32 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3gem h VAL 106 CO 0.00 0.43 -0.10 1.41 0.02 0.00 0.00 177.57 179.34 3gem n HIS 107 N -4.42 0.00 0.00 1.57 8.25 -1.22 -4.37 115.22 115.02 3gem n HIS 107 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3gem n HIS 107 Cb 0.42 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3gem n HIS 107 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3gem n LEU 109 N -0.04 0.00 0.12 2.41 7.94 -0.24 -4.42 117.00 122.78 3gem n LEU 109 Ca 0.16 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.93 3gem n LEU 109 Cb 0.37 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.24 3gem n LEU 109 CO 0.20 0.00 0.79 0.00 -1.11 0.00 0.00 177.39 177.26 3gem h ALA 110 N 0.00 -0.24 -0.97 1.96 0.00 -1.25 -0.60 119.26 118.16 3gem h ALA 110 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gem h ALA 110 Cb 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3gem h ALA 110 CO 0.00 -0.61 0.64 -1.35 0.00 0.00 0.00 179.25 177.92 3gem h PRO 111 N -0.29 1.24 0.04 0.00 0.11 -1.82 -0.44 132.00 130.85 3gem h PRO 111 Ca -0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3gem h PRO 111 Cb 0.22 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3gem h PRO 111 CO 0.04 0.82 -0.02 -0.92 -0.21 0.00 0.00 178.00 177.71 3gem h TYR 112 N 1.28 -0.06 -0.50 0.65 3.20 -1.87 0.18 116.97 119.85 3gem h TYR 112 Ca 0.36 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 3gem h TYR 112 Cb -0.11 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3gem h TYR 112 CO -0.00 0.08 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.47 3gem h LEU 113 N -0.18 0.91 -0.15 2.82 3.38 -0.90 -1.03 115.31 120.17 3gem h LEU 113 Ca -0.01 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3gem h LEU 113 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gem h LEU 113 CO 0.01 1.03 0.05 0.40 0.09 0.00 0.00 178.44 180.02 3gem h ILE 114 N 0.78 1.17 -0.45 1.22 2.04 -1.06 0.34 117.51 121.56 3gem h ILE 114 Ca 0.14 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3gem h ILE 114 Cb 0.59 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3gem h ILE 114 CO 0.04 0.16 0.25 0.78 0.00 0.00 0.00 178.15 179.38 3gem h ASN 115 N 0.06 0.39 -0.02 1.72 2.35 -0.55 0.23 115.58 119.77 3gem h ASN 115 Ca 0.05 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3gem h ASN 115 Cb 0.21 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3gem h ASN 115 CO -0.00 0.28 0.01 0.25 -1.65 0.00 0.00 177.43 176.31 3gem h LEU 116 N 0.50 0.02 -0.40 1.61 5.85 -1.08 -2.32 115.31 119.50 3gem h LEU 116 Ca 0.19 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3gem h LEU 116 Cb 0.05 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3gem h LEU 116 CO -0.10 0.10 -0.12 0.45 -0.34 0.00 0.00 178.44 178.42 3gem h HIS 117 N -0.06 0.00 -0.18 1.25 3.86 -0.66 -3.26 115.15 116.09 3gem h HIS 117 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3gem h HIS 117 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3gem h HIS 117 CO -0.05 0.12 0.00 0.00 0.86 0.00 0.00 177.93 178.87 3gem h GLU 119 N 3.61 0.68 0.00 0.00 4.81 -1.46 -1.12 114.58 121.10 3gem h GLU 119 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3gem h GLU 119 Cb 0.81 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3gem h GLU 119 CO 0.00 0.45 -0.20 -1.35 -0.73 0.00 0.00 179.01 177.18 3gem h PRO 120 N 0.70 0.00 -0.40 0.92 0.11 -1.85 0.35 132.00 131.83 3gem h PRO 120 Ca 0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.41 3gem h PRO 120 Cb 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3gem h PRO 120 CO -0.27 0.20 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.56 3gem h LEU 121 N 0.00 0.78 -0.59 2.35 4.07 -1.47 -2.73 115.31 117.72 3gem h LEU 121 Ca -0.00 -0.36 -0.10 0.00 0.08 0.00 0.00 57.88 57.50 3gem h LEU 121 Cb 0.47 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 3gem h LEU 121 CO 0.03 0.96 -0.01 -0.07 -1.08 0.00 0.00 178.44 178.27 3gem h LEU 122 N 0.59 1.02 0.00 1.67 3.38 -0.86 -0.53 115.31 120.58 3gem h LEU 122 Ca 0.10 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3gem h LEU 122 Cb 0.61 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gem h LEU 122 CO 0.04 1.08 0.00 0.35 0.09 0.00 0.00 178.44 180.00 3gem n THR 123 N -4.21 0.60 0.99 0.22 -2.24 0.06 -1.11 114.28 108.60 3gem n THR 123 Ca 0.02 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.09 3gem n THR 123 Cb 0.35 -0.81 0.60 0.00 -2.10 0.00 0.00 70.33 68.36 3gem n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gem n ALA 124 N -1.46 2.27 -2.79 6.98 0.00 -1.04 -4.70 120.51 119.76 3gem n ALA 124 Ca 0.06 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 3gem n ALA 124 Cb 0.22 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 3gem n ALA 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gem s SER 125 N -2.94 5.85 0.25 0.00 0.15 -0.27 -4.97 113.70 111.77 3gem s SER 125 Ca 0.15 0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 3gem s SER 125 Cb 0.18 -1.97 0.50 0.00 -1.71 0.00 0.00 66.02 63.01 3gem s SER 125 CO 0.49 0.22 1.71 1.05 1.20 0.00 0.00 173.24 177.91 3gem h GLU 126 N 6.34 0.39 -5.62 5.44 9.09 -1.84 -3.37 114.58 125.00 3gem h GLU 126 Ca -0.41 -0.02 -0.68 0.00 0.05 0.00 0.00 59.36 58.30 3gem h GLU 126 Cb 1.17 -0.09 -0.30 0.00 -1.65 0.00 0.00 28.75 27.89 3gem h GLU 126 CO 0.69 0.26 -0.84 0.08 0.05 0.00 0.00 179.01 179.25 3gem s VAL 127 N -6.01 2.41 -0.00 -1.06 1.01 -1.26 -5.08 120.40 110.41 3gem s VAL 127 Ca -0.12 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3gem s VAL 127 Cb 0.21 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3gem s VAL 127 CO 0.76 0.56 0.00 0.00 0.00 0.00 0.00 175.10 176.42 3gem s ALA 128 N 0.10 0.02 0.02 5.51 0.00 -1.26 -4.75 121.76 121.39 3gem s ALA 128 Ca -0.10 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.90 3gem s ALA 128 Cb -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3gem s ALA 128 CO 0.06 -0.01 -0.05 -0.51 0.00 0.00 0.00 175.76 175.25 3gem s ASP 129 N 0.08 0.55 -0.08 0.00 1.01 -0.96 -1.87 116.67 115.41 3gem s ASP 129 Ca -0.01 -0.33 0.05 0.00 0.71 0.00 0.00 52.55 52.97 3gem s ASP 129 Cb -0.01 0.01 -0.01 0.00 1.01 0.00 0.00 42.92 43.92 3gem s ASP 129 CO -0.00 -0.11 -0.23 -0.63 0.21 0.00 0.00 175.17 174.40 3gem s ILE 130 N -0.83 2.17 -0.09 0.77 1.01 0.25 -1.30 121.20 123.19 3gem s ILE 130 Ca -0.06 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.60 3gem s ILE 130 Cb -0.06 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.61 3gem s ILE 130 CO -0.00 0.56 -0.15 -0.69 0.00 0.00 0.00 174.94 174.66 3gem s VAL 131 N 0.02 1.41 -0.27 2.92 1.01 -0.15 -1.04 120.40 124.30 3gem s VAL 131 Ca -0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 3gem s VAL 131 Cb -0.15 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3gem s VAL 131 CO 0.06 0.42 0.16 -1.00 0.00 0.00 0.00 175.10 174.74 3gem s HIS 132 N 0.82 3.20 -0.44 5.22 3.76 -0.03 -0.16 115.29 127.66 3gem s HIS 132 Ca -0.11 0.02 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 3gem s HIS 132 Cb -0.16 -2.33 0.03 0.00 1.11 0.00 0.00 32.58 31.23 3gem s HIS 132 CO 0.01 -0.17 0.45 0.42 -0.85 0.00 0.00 174.74 174.60 3gem s ILE 133 N 1.63 5.09 0.00 0.60 1.01 -0.16 -1.26 121.20 128.12 3gem s ILE 133 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3gem s ILE 133 Cb -0.15 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3gem s ILE 133 CO 0.09 -0.48 0.00 -1.54 0.00 0.00 0.00 174.94 173.00 3gem n SER 134 N 5.59 0.00 -3.64 3.58 3.41 -0.02 -4.78 113.62 117.76 3gem n SER 134 Ca -0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.49 3gem n SER 134 Cb 0.47 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 3gem n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gem s ASP 135 N -1.00 -0.59 0.32 4.04 3.68 -1.26 -4.50 116.67 117.35 3gem s ASP 135 Ca 0.00 0.97 0.22 0.00 2.13 0.00 0.00 52.55 55.87 3gem s ASP 135 Cb 0.00 1.22 1.18 0.00 -1.45 0.00 0.00 42.92 43.87 3gem s ASP 135 CO 0.00 -0.15 1.69 -0.67 0.13 0.00 0.00 175.17 176.16 3gem n ASP 136 N 3.70 0.60 -0.26 -0.34 2.03 0.26 -2.54 116.55 120.00 3gem n ASP 136 Ca -0.18 0.76 0.30 0.00 0.52 0.00 0.00 54.79 56.18 3gem n ASP 136 Cb 0.58 -0.84 0.69 0.00 -0.72 0.00 0.00 41.12 40.82 3gem n ASP 136 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3gem h VAL 137 N 0.00 0.50 -0.02 5.18 3.04 -1.93 -2.21 116.25 120.80 3gem h VAL 137 Ca 0.00 -0.03 0.01 0.00 -1.01 0.00 0.00 66.70 65.66 3gem h VAL 137 Cb 0.06 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 29.74 3gem h VAL 137 CO 0.00 0.02 0.01 0.71 -1.01 0.00 0.00 177.57 177.30 3gem h THR 138 N 0.09 0.79 -0.62 3.17 1.35 -1.80 -0.71 112.91 115.17 3gem h THR 138 Ca 0.51 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.34 3gem h THR 138 Cb 1.86 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 69.24 3gem h THR 138 CO -0.06 0.00 0.26 0.08 -0.25 0.00 0.00 175.52 175.55 3gem h ARG 139 N 0.00 0.92 0.00 4.72 0.11 -1.67 -3.28 114.38 115.18 3gem h ARG 139 Ca 0.01 -0.16 -0.23 0.00 0.10 0.00 0.00 59.98 59.71 3gem h ARG 139 Cb 0.04 -0.15 -0.04 0.00 1.11 0.00 0.00 29.97 30.92 3gem h ARG 139 CO -0.00 0.77 -2.05 1.17 0.10 0.00 0.00 179.97 179.96 3gem n LYS 140 N -4.46 0.66 0.00 0.08 4.81 -1.12 -5.11 118.16 113.03 3gem n LYS 140 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3gem n LYS 140 Cb 0.15 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.61 3gem n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gem n GLY 141 N 1.54 -1.15 2.72 3.14 0.00 -0.29 -4.99 105.19 106.15 3gem n GLY 141 Ca -0.20 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.01 3gem n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gem s SER 142 N -3.16 0.99 0.17 1.61 0.15 -1.26 -4.87 113.70 107.33 3gem s SER 142 Ca 0.00 0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.66 3gem s SER 142 Cb 0.00 -0.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.35 3gem s SER 142 CO 0.00 -0.24 1.80 -1.28 1.20 0.00 0.00 173.24 174.72 3gem h SER 143 N 8.37 0.69 -0.00 5.45 0.87 -1.99 -3.18 113.55 123.75 3gem h SER 143 Ca -0.14 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 3gem h SER 143 Cb 1.12 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3gem h SER 143 CO 0.16 0.56 -0.04 0.11 -0.53 0.00 0.00 176.83 177.09 3gem h LYS 144 N 0.76 0.03 -2.29 2.24 1.57 -2.05 -3.40 116.57 113.43 3gem h LYS 144 Ca 0.20 -0.03 -0.73 0.00 -1.87 0.00 0.00 60.65 58.22 3gem h LYS 144 Cb 0.01 0.01 -0.32 0.00 0.08 0.00 0.00 32.23 32.00 3gem h LYS 144 CO -0.04 0.81 0.43 0.72 -0.57 0.00 0.00 179.45 180.81 3gem n HIS 145 N -4.68 3.19 0.20 -1.35 8.25 -1.22 -4.84 115.22 114.78 3gem n HIS 145 Ca -0.09 -3.07 -0.15 0.00 -0.26 0.00 0.00 57.72 54.14 3gem n HIS 145 Cb 0.40 -0.95 -0.08 0.00 1.12 0.00 0.00 29.99 30.48 3gem n HIS 145 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3gem h ILE 146 N 2.55 0.66 -0.37 1.59 2.04 -1.77 -0.96 117.51 121.25 3gem h ILE 146 Ca 0.38 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 3gem h ILE 146 Cb 0.40 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3gem h ILE 146 CO 1.06 0.04 0.15 0.00 0.00 0.00 0.00 178.15 179.41 3gem h ALA 147 N 0.01 0.48 0.15 1.87 0.00 -1.90 -1.14 119.26 118.74 3gem h ALA 147 Ca -0.05 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3gem h ALA 147 Cb 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3gem h ALA 147 CO 0.08 0.07 -0.25 -0.92 0.00 0.00 0.00 179.25 178.24 3gem h TYR 148 N 0.45 -0.66 -0.69 0.00 3.20 -1.89 -1.93 116.97 115.45 3gem h TYR 148 Ca 0.12 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.08 3gem h TYR 148 Cb 0.17 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 3gem h TYR 148 CO -0.00 -0.35 0.36 0.00 -1.64 0.00 0.00 178.16 176.52 3gem h ALA 150 N 1.39 1.25 -0.24 0.00 0.00 -0.81 0.21 119.26 121.06 3gem h ALA 150 Ca 0.32 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3gem h ALA 150 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gem h ALA 150 CO -0.22 0.52 -0.36 1.79 0.00 0.00 0.00 179.25 180.98 3gem h THR 151 N 0.76 1.29 -0.26 0.00 1.35 -0.84 -1.67 112.91 113.53 3gem h THR 151 Ca 0.17 -1.49 -0.14 0.00 -0.55 0.00 0.00 66.41 64.39 3gem h THR 151 Cb 0.28 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3gem h THR 151 CO -0.00 0.47 -0.41 0.11 -0.25 0.00 0.00 175.52 175.44 3gem h LYS 152 N 0.45 0.63 -0.73 4.72 1.79 -0.82 -2.38 116.57 120.23 3gem h LYS 152 Ca 0.05 -0.33 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 3gem h LYS 152 Cb 0.84 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 3gem h LYS 152 CO 0.07 0.93 0.34 0.00 -1.08 0.00 0.00 179.45 179.71 3gem h ALA 153 N 1.03 1.24 -0.64 3.86 0.00 -0.70 -1.86 119.26 122.20 3gem h ALA 153 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3gem h ALA 153 Cb 0.93 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3gem h ALA 153 CO 0.08 0.58 0.13 0.78 0.00 0.00 0.00 179.25 180.83 3gem h GLY 154 N 1.08 1.11 0.85 0.00 0.00 -1.12 -2.31 103.07 102.68 3gem h GLY 154 Ca 0.25 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.90 3gem h GLY 154 CO -0.03 0.66 0.46 -2.00 0.00 0.00 0.00 176.54 175.63 3gem h LEU 155 N 0.95 0.75 -1.48 3.11 5.85 -1.08 -2.24 115.31 121.18 3gem h LEU 155 Ca 0.20 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3gem h LEU 155 Cb 0.39 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3gem h LEU 155 CO 0.01 0.52 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.27 3gem h GLU 156 N 0.89 0.31 -0.64 1.25 5.08 -1.04 -1.69 114.58 118.74 3gem h GLU 156 Ca 0.30 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3gem h GLU 156 Cb 0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3gem h GLU 156 CO -0.12 0.35 0.31 1.03 -1.00 0.00 0.00 179.01 179.59 3gem h SER 157 N 0.30 0.83 -0.50 1.42 0.87 -0.87 -2.53 113.55 113.07 3gem h SER 157 Ca 0.07 -0.13 0.13 0.00 -1.23 0.00 0.00 61.79 60.63 3gem h SER 157 Cb 0.24 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3gem h SER 157 CO 0.01 0.73 0.36 -0.07 -0.53 0.00 0.00 176.83 177.32 3gem h LEU 158 N 0.88 0.09 -0.04 2.23 3.38 -0.76 -1.89 115.31 119.20 3gem h LEU 158 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gem h LEU 158 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3gem h LEU 158 CO -0.03 0.05 0.01 0.74 0.09 0.00 0.00 178.44 179.30 3gem h THR 159 N 0.10 0.98 -0.49 0.22 2.02 -1.21 -0.32 112.91 114.22 3gem h THR 159 Ca 0.24 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 3gem h THR 159 Cb 0.82 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3gem h THR 159 CO -0.02 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 176.05 3gem h LEU 160 N 0.03 0.63 -0.07 2.58 3.38 -1.40 -0.98 115.31 119.48 3gem h LEU 160 Ca 0.02 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3gem h LEU 160 Cb 0.01 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.61 3gem h LEU 160 CO -0.02 0.57 -0.61 0.28 0.09 0.00 0.00 178.44 178.74 3gem h SER 161 N 0.65 0.66 0.36 -0.43 0.02 -1.24 -2.59 113.55 110.98 3gem h SER 161 Ca 0.17 -0.68 -0.13 0.00 -0.84 0.00 0.00 61.79 60.31 3gem h SER 161 Cb 0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3gem h SER 161 CO -0.02 1.24 -0.54 -0.26 -1.14 0.00 0.00 176.83 176.11 3gem h PHE 162 N 0.13 0.25 -1.00 3.45 0.04 -1.11 -1.18 116.94 117.53 3gem h PHE 162 Ca -0.06 -0.09 0.05 0.00 2.80 0.00 0.00 57.97 60.68 3gem h PHE 162 Cb 1.27 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 39.31 3gem h PHE 162 CO 0.12 0.70 0.65 0.00 -0.60 0.00 0.00 178.31 179.18 3gem h ALA 163 N 1.28 1.35 0.04 2.45 0.00 -1.10 0.16 119.26 123.45 3gem h ALA 163 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gem h ALA 163 Cb 1.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gem h ALA 163 CO 0.08 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 3gem h ALA 164 N 1.43 -0.06 -0.45 0.00 0.00 -1.15 -2.72 119.26 116.31 3gem h ALA 164 Ca 0.41 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3gem h ALA 164 Cb 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gem h ALA 164 CO -0.15 -0.30 -0.21 -0.09 0.00 0.00 0.00 179.25 178.50 3gem h ARG 165 N -0.52 0.91 -0.01 0.00 2.43 -0.86 -3.14 114.38 113.19 3gem h ARG 165 Ca -0.01 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3gem h ARG 165 Cb 0.47 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3gem h ARG 165 CO 0.01 1.03 -0.05 1.19 -1.51 0.00 0.00 179.97 180.63 3gem n PHE 166 N -4.11 0.00 -1.84 2.20 3.01 0.54 -4.87 117.46 112.38 3gem n PHE 166 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 3gem n PHE 166 Cb 0.44 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.91 3gem n PHE 166 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gem s ALA 167 N -2.10 3.00 -2.52 4.37 0.00 -1.03 -2.01 121.76 121.47 3gem s ALA 167 Ca 0.35 1.34 0.25 0.00 0.00 0.00 0.00 51.96 53.90 3gem s ALA 167 Cb 0.21 -3.55 0.46 0.00 0.00 0.00 0.00 23.12 20.24 3gem s ALA 167 CO 0.37 -1.22 1.40 -0.35 0.00 0.00 0.00 175.76 175.96 3gem n PRO 168 N -0.63 1.74 0.14 0.00 -0.04 -1.26 -4.89 135.00 130.06 3gem n PRO 168 Ca 0.08 -1.30 0.06 0.00 -0.04 0.00 0.00 63.50 62.29 3gem n PRO 168 Cb 0.44 -1.47 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 3gem n PRO 168 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3gem h LEU 169 N 3.18 0.00 -7.80 1.53 3.38 -1.86 -3.43 115.31 110.30 3gem h LEU 169 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3gem h LEU 169 Cb 0.75 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.14 3gem h LEU 169 CO 0.00 0.33 -0.81 -0.69 0.09 0.00 0.00 178.44 177.36 3gem s VAL 170 N -3.07 1.11 0.10 1.22 1.01 -0.85 -4.13 120.40 115.78 3gem s VAL 170 Ca 0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 3gem s VAL 170 Cb 0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 3gem s VAL 170 CO 0.74 0.37 0.86 -0.54 0.00 0.00 0.00 175.10 176.54 3gem s LYS 171 N 1.40 4.61 -0.11 2.72 -0.14 -0.78 -4.15 119.74 123.29 3gem s LYS 171 Ca -0.00 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 3gem s LYS 171 Cb -0.13 -3.36 0.02 0.00 -1.68 0.00 0.00 37.83 32.68 3gem s LYS 171 CO -0.05 0.29 -0.09 0.08 -0.76 0.00 0.00 175.35 174.82 3gem s VAL 172 N -0.19 1.12 0.25 3.17 1.01 -1.26 -0.58 120.40 123.92 3gem s VAL 172 Ca 0.42 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3gem s VAL 172 Cb -0.22 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3gem s VAL 172 CO 0.27 0.38 0.20 0.20 0.00 0.00 0.00 175.10 176.15 3gem s ASN 173 N 1.55 0.62 0.18 3.32 0.01 -0.21 0.14 114.94 120.55 3gem s ASN 173 Ca 0.03 -1.49 0.06 0.00 -0.71 0.00 0.00 52.86 50.75 3gem s ASN 173 Cb -0.13 0.45 -0.05 0.00 0.41 0.00 0.00 41.25 41.94 3gem s ASN 173 CO -0.07 -0.93 -0.12 -0.83 -1.51 0.00 0.00 177.10 173.63 3gem s GLY 174 N -3.22 1.25 -0.06 0.66 0.00 0.89 -0.85 107.32 105.99 3gem s GLY 174 Ca 0.39 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.57 3gem s GLY 174 CO 0.17 -1.67 -0.17 -0.42 0.00 0.00 0.00 173.10 171.01 3gem s ILE 175 N -3.11 1.47 -0.61 0.90 1.01 -0.39 -0.65 121.20 119.82 3gem s ILE 175 Ca 0.19 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3gem s ILE 175 Cb 0.01 -1.28 0.15 0.00 0.01 0.00 0.00 42.46 41.35 3gem s ILE 175 CO 0.04 0.43 0.39 0.00 0.00 0.00 0.00 174.94 175.79 3gem s ALA 176 N 0.30 3.55 0.43 9.38 0.00 0.10 -0.84 121.76 134.68 3gem s ALA 176 Ca -0.10 -3.47 -0.15 0.00 0.00 0.00 0.00 51.96 48.24 3gem s ALA 176 Cb -0.14 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.62 3gem s ALA 176 CO 0.04 -2.06 0.86 -1.25 0.00 0.00 0.00 175.76 173.34 3gem s PRO 177 N -0.66 3.94 -1.23 0.00 0.05 -1.26 -1.50 135.00 134.34 3gem s PRO 177 Ca 0.20 0.76 -0.19 0.00 0.05 0.00 0.00 61.00 61.82 3gem s PRO 177 Cb -0.18 -2.29 -0.01 0.00 0.05 0.00 0.00 34.50 32.08 3gem s PRO 177 CO -0.06 -0.07 1.93 0.00 0.05 0.00 0.00 177.00 178.85 3gem n ALA 178 N -1.10 3.63 0.18 8.56 0.00 -0.46 -0.57 120.51 130.76 3gem n ALA 178 Ca 0.05 -3.60 0.12 0.00 0.00 0.00 0.00 53.44 50.01 3gem n ALA 178 Cb 0.54 -3.57 0.66 0.00 0.00 0.00 0.00 19.45 17.08 3gem n ALA 178 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gem h LEU 179 N 13.25 0.00 -2.75 0.00 3.38 -1.91 -3.31 115.31 123.96 3gem h LEU 179 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3gem h LEU 179 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3gem h LEU 179 CO 1.59 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 180.01 3gem n LEU 180 N -2.35 0.02 0.00 1.67 0.00 -1.26 -5.17 117.00 109.91 3gem n LEU 180 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 55.98 3gem n LEU 180 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.46 3gem n LEU 180 CO 0.11 0.00 0.00 0.49 0.00 0.00 0.00 177.39 177.99 3gem n PHE 182 N 1.37 0.00 0.00 1.96 3.72 -1.25 -5.19 117.46 118.07 3gem n PHE 182 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3gem n PHE 182 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3gem n PHE 182 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3gem n SER 198 N 0.00 0.00 -0.21 4.37 2.88 -1.26 -4.99 113.62 114.41 3gem n SER 198 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3gem n SER 198 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 3gem n SER 198 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gem h ALA 199 N 0.00 1.10 -0.03 -1.46 0.00 -1.07 -3.23 119.26 114.57 3gem h ALA 199 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 3gem h ALA 199 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3gem h ALA 199 CO 0.00 0.61 -0.74 -0.07 0.00 0.00 0.00 179.25 179.06 3gem h LEU 200 N 0.99 0.27 1.41 0.00 3.38 -1.65 -3.48 115.31 116.23 3gem h LEU 200 Ca 0.22 -0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 3gem h LEU 200 Cb 0.29 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3gem h LEU 200 CO -0.01 0.91 -0.30 0.61 0.09 0.00 0.00 178.44 179.74 3gem n GLY 201 N 0.57 0.39 3.83 0.83 0.00 -1.22 -5.02 105.19 104.56 3gem n GLY 201 Ca -0.03 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 3gem n GLY 201 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gem s ILE 202 N -2.59 4.08 -0.20 -0.61 -4.36 -1.26 -5.11 121.20 111.16 3gem s ILE 202 Ca 0.00 -1.41 -0.18 0.00 -0.26 0.00 0.00 60.65 58.80 3gem s ILE 202 Cb 0.00 -3.30 -0.03 0.00 1.25 0.00 0.00 42.46 40.37 3gem s ILE 202 CO 0.00 -0.29 0.50 -0.70 0.24 0.00 0.00 174.94 174.70 3gem s GLU 203 N -3.89 4.20 0.26 0.37 2.12 -1.26 -5.05 118.70 115.44 3gem s GLU 203 Ca 0.36 0.39 -0.29 0.00 0.36 0.00 0.00 54.97 55.79 3gem s GLU 203 Cb -0.07 -3.55 -0.09 0.00 0.26 0.00 0.00 34.13 30.67 3gem s GLU 203 CO 0.25 -0.12 0.93 -1.25 -0.54 0.00 0.00 175.26 174.53 3gem s PRO 204 N 1.56 4.76 0.48 4.30 0.04 -1.26 -5.06 135.00 139.82 3gem s PRO 204 Ca 0.24 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 3gem s PRO 204 Cb -0.15 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3gem s PRO 204 CO 0.09 0.45 0.79 0.20 0.04 0.00 0.00 177.00 178.57 3gem s GLY 205 N -1.31 1.53 0.25 0.56 0.00 -1.26 -4.87 107.32 102.22 3gem s GLY 205 Ca 0.43 -0.48 0.16 0.00 0.00 0.00 0.00 44.72 44.83 3gem s GLY 205 CO 0.29 -0.32 1.49 0.00 0.00 0.00 0.00 173.10 174.57 3gem n ALA 206 N -2.20 1.01 0.21 3.20 0.00 -1.26 -2.74 120.51 118.72 3gem n ALA 206 Ca 0.01 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3gem n ALA 206 Cb 0.55 -1.21 0.59 0.00 0.00 0.00 0.00 19.45 19.38 3gem n ALA 206 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gem h GLU 207 N 0.00 0.11 -0.77 0.00 4.57 -1.96 -1.20 114.58 115.33 3gem h GLU 207 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3gem h GLU 207 Cb 0.04 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3gem h GLU 207 CO 0.00 0.08 0.47 -0.39 -1.18 0.00 0.00 179.01 177.98 3gem h VAL 208 N 0.11 1.21 -0.33 0.32 -1.51 -1.93 0.10 116.25 114.22 3gem h VAL 208 Ca 0.03 -0.47 -0.17 0.00 -1.23 0.00 0.00 66.70 64.87 3gem h VAL 208 Cb 0.00 0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 29.28 3gem h VAL 208 CO -0.01 0.22 -0.45 0.40 -1.23 0.00 0.00 177.57 176.50 3gem h ILE 209 N 1.06 1.28 -0.65 7.19 1.08 -1.46 -1.81 117.51 124.20 3gem h ILE 209 Ca 0.28 -1.64 -0.06 0.00 -0.39 0.00 0.00 64.86 63.05 3gem h ILE 209 Cb -0.05 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 3gem h ILE 209 CO -0.05 0.54 0.18 0.22 -0.69 0.00 0.00 178.15 178.34 3gem h TYR 210 N 0.69 1.07 -0.05 1.37 3.20 -0.97 0.03 116.97 122.31 3gem h TYR 210 Ca 0.04 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 3gem h TYR 210 Cb 1.04 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3gem h TYR 210 CO 0.06 0.88 -0.35 1.96 -1.64 0.00 0.00 178.16 179.07 3gem h GLN 211 N 0.95 0.09 -0.38 1.82 1.08 -0.81 0.11 115.11 117.96 3gem h GLN 211 Ca 0.21 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.33 3gem h GLN 211 Cb 0.34 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3gem h GLN 211 CO -0.00 0.43 0.10 0.77 -0.95 0.00 0.00 178.83 179.17 3gem h SER 212 N 0.08 0.58 -0.66 1.46 0.02 -0.79 -1.37 113.55 112.87 3gem h SER 212 Ca 0.01 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3gem h SER 212 Cb 0.66 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3gem h SER 212 CO 0.05 0.66 0.38 0.25 -1.14 0.00 0.00 176.83 177.03 3gem h LEU 213 N 0.48 0.81 -0.57 5.07 5.85 -0.23 -2.26 115.31 124.45 3gem h LEU 213 Ca 0.12 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gem h LEU 213 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3gem h LEU 213 CO 0.00 0.65 0.34 0.03 -0.34 0.00 0.00 178.44 179.12 3gem h ARG 214 N 0.90 0.77 -0.67 1.25 2.47 -0.66 -0.33 114.38 118.12 3gem h ARG 214 Ca 0.23 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.92 3gem h ARG 214 Cb 0.00 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.12 3gem h ARG 214 CO -0.04 0.56 0.41 -0.92 0.56 0.00 0.00 179.97 180.54 3gem h TYR 215 N 0.77 0.76 -0.19 3.04 3.20 -0.98 0.39 116.97 123.95 3gem h TYR 215 Ca 0.20 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3gem h TYR 215 Cb -0.01 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 3gem h TYR 215 CO -0.02 0.42 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.64 3gem h LEU 216 N 0.79 0.53 -0.77 2.82 3.38 -1.01 -1.93 115.31 119.13 3gem h LEU 216 Ca 0.27 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3gem h LEU 216 Cb 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3gem h LEU 216 CO -0.12 0.91 0.34 -0.07 0.09 0.00 0.00 178.44 179.58 3gem h LEU 217 N 0.16 1.03 0.00 1.67 3.38 -0.88 -3.04 115.31 117.63 3gem h LEU 217 Ca 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3gem h LEU 217 Cb 0.77 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gem h LEU 217 CO 0.05 0.90 -0.01 0.44 0.09 0.00 0.00 178.44 179.91 3gem h ASP 218 N 1.09 0.00 -4.07 -0.43 3.32 -0.87 -3.45 116.42 112.02 3gem h ASP 218 Ca 0.26 -0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.80 3gem h ASP 218 Cb 0.17 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.80 3gem h ASP 218 CO -0.03 0.00 0.46 -0.94 -1.72 0.00 0.00 179.24 177.01 3gem s SER 219 N -6.10 5.73 0.08 6.45 1.04 -0.73 -4.94 113.70 115.22 3gem s SER 219 Ca 0.07 2.26 0.21 0.00 0.48 0.00 0.00 55.95 58.98 3gem s SER 219 Cb 0.05 -2.59 -0.16 0.00 0.10 0.00 0.00 66.02 63.43 3gem s SER 219 CO 0.67 -1.22 0.75 1.07 0.98 0.00 0.00 173.24 175.49 3gem n THR 220 N -1.14 0.53 -0.10 2.02 5.66 -1.26 -4.71 114.28 115.28 3gem n THR 220 Ca 0.11 -0.57 -0.17 0.00 -3.05 0.00 0.00 64.05 60.37 3gem n THR 220 Cb 0.50 -0.28 -0.08 0.00 -1.55 0.00 0.00 70.33 68.92 3gem n THR 220 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gem n TYR 221 N -2.56 0.00 -2.40 1.09 9.36 -1.26 -4.99 117.16 116.40 3gem n TYR 221 Ca -0.05 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.75 3gem n TYR 221 Cb 0.63 -0.71 -0.03 0.00 -0.63 0.00 0.00 39.34 38.61 3gem n TYR 221 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3gem s VAL 222 N -2.36 4.10 -0.05 2.97 1.01 -1.26 -5.00 120.40 119.81 3gem s VAL 222 Ca -0.26 1.44 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 3gem s VAL 222 Cb 0.09 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3gem s VAL 222 CO 0.38 0.01 0.34 0.28 0.00 0.00 0.00 175.10 176.11 3gem s THR 223 N 2.16 0.04 -0.00 3.92 -1.32 -1.26 -4.60 115.64 114.58 3gem s THR 223 Ca 0.58 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 3gem s THR 223 Cb -0.27 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 3gem s THR 223 CO 0.24 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 3gem n GLY 224 N 1.66 0.48 3.88 6.08 0.00 0.12 -4.96 105.19 112.46 3gem n GLY 224 Ca -0.19 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 3gem n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gem s THR 225 N -1.98 4.36 -0.04 2.61 -4.23 -1.26 -4.71 115.64 110.40 3gem s THR 225 Ca 0.00 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3gem s THR 225 Cb 0.00 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.41 3gem s THR 225 CO 0.00 -0.28 -0.00 -0.89 -0.54 0.00 0.00 174.62 172.91 3gem s THR 226 N -2.15 0.25 -0.17 3.99 2.01 -1.26 -0.08 115.64 118.24 3gem s THR 226 Ca 0.37 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 3gem s THR 226 Cb -0.08 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 3gem s THR 226 CO 0.27 0.18 0.45 -0.76 -0.69 0.00 0.00 174.62 174.07 3gem s LEU 227 N 1.22 4.20 -0.22 4.42 1.43 0.18 -4.92 118.68 124.99 3gem s LEU 227 Ca -0.07 0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 53.51 3gem s LEU 227 Cb -0.13 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3gem s LEU 227 CO -0.02 -0.07 0.47 -0.89 0.23 0.00 0.00 176.35 176.07 3gem s THR 228 N 1.13 5.13 -0.55 5.49 2.01 -1.26 0.01 115.64 127.60 3gem s THR 228 Ca 0.22 0.83 0.04 0.00 0.31 0.00 0.00 61.69 63.10 3gem s THR 228 Cb -0.15 -3.79 0.14 0.00 0.01 0.00 0.00 72.50 68.71 3gem s THR 228 CO 0.09 0.17 0.32 -0.69 -0.69 0.00 0.00 174.62 173.83 3gem s VAL 229 N 1.74 2.38 0.00 3.82 1.01 -0.56 -4.92 120.40 123.87 3gem s VAL 229 Ca 0.21 -3.43 0.00 0.00 0.00 0.00 0.00 61.98 58.76 3gem s VAL 229 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3gem s VAL 229 CO 0.09 -0.89 0.64 -0.46 0.00 0.00 0.00 175.10 174.48 3gem n ASN 230 N 2.85 0.00 -2.01 3.32 6.94 -1.26 -1.35 115.26 123.75 3gem n ASN 230 Ca 0.11 -1.29 -0.18 0.00 -0.02 0.00 0.00 54.58 53.19 3gem n ASN 230 Cb 0.34 -0.06 -0.04 0.00 -2.36 0.00 0.00 39.78 37.66 3gem n ASN 230 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gem n GLY 231 N 0.00 0.53 2.15 4.83 0.00 -1.26 -1.53 105.19 109.91 3gem n GLY 231 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3gem n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gem n GLY 232 N -0.67 0.74 0.37 -0.02 0.00 -1.26 -0.72 105.19 103.64 3gem n GLY 232 Ca -0.20 -0.82 0.20 0.00 0.00 0.00 0.00 46.02 45.21 3gem n GLY 232 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gem h ARG 233 N 0.00 0.47 0.00 1.61 3.08 -1.63 0.11 114.38 118.02 3gem h ARG 233 Ca -0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3gem h ARG 233 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gem h ARG 233 CO 0.16 0.31 0.00 -2.39 -1.07 0.00 0.00 179.97 176.98 3gem n HIS 234 N -4.77 0.61 0.01 3.04 1.44 -1.26 -2.83 115.22 111.45 3gem n HIS 234 Ca 0.27 0.21 0.09 0.00 -2.01 0.00 0.00 57.72 56.28 3gem n HIS 234 Cb 0.82 -0.84 -0.14 0.00 0.12 0.00 0.00 29.99 29.95 3gem n HIS 234 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3gem n VAL 235 N -2.03 0.00 1.84 0.61 0.24 0.32 -5.19 118.33 114.12 3gem n VAL 235 Ca 0.04 -0.40 0.15 0.00 -2.04 0.00 0.00 64.34 62.09 3gem n VAL 235 Cb 0.29 0.11 0.81 0.00 -1.47 0.00 0.00 33.84 33.58 3gem n VAL 235 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86