#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 2.35 0.63 7.33 0.00 -1.26 -4.74 121.76 126.07 3gem s ALA 6 Ca 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 3gem s ALA 6 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3gem s ALA 6 CO 0.00 -1.53 1.06 -1.25 0.00 0.00 0.00 175.76 174.04 3gem s PRO 7 N -3.57 3.17 -0.18 0.00 0.04 -1.26 -4.15 135.00 129.05 3gem s PRO 7 Ca 0.77 1.14 -0.09 0.00 0.04 0.00 0.00 61.00 62.86 3gem s PRO 7 Cb -0.31 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3gem s PRO 7 CO 0.39 -0.93 0.10 0.42 0.04 0.00 0.00 177.00 177.03 3gem s ILE 8 N -2.63 5.16 -0.19 0.56 1.01 0.20 -0.07 121.20 125.25 3gem s ILE 8 Ca 0.62 0.10 -0.13 0.00 0.00 0.00 0.00 60.65 61.24 3gem s ILE 8 Cb -0.16 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 3gem s ILE 8 CO 0.43 0.47 0.26 -0.22 0.00 0.00 0.00 174.94 175.88 3gem s LEU 9 N 0.20 4.20 -0.23 2.97 2.96 -0.30 -0.68 118.68 127.80 3gem s LEU 9 Ca 0.07 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3gem s LEU 9 Cb -0.12 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.30 3gem s LEU 9 CO -0.01 0.08 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.35 3gem s ILE 10 N 0.67 2.33 0.38 6.68 1.01 -0.04 0.29 121.20 132.52 3gem s ILE 10 Ca 0.14 -1.24 -0.17 0.00 0.00 0.00 0.00 60.65 59.39 3gem s ILE 10 Cb -0.13 -2.19 -0.09 0.00 0.01 0.00 0.00 42.46 40.06 3gem s ILE 10 CO 0.03 0.22 0.83 0.42 0.00 0.00 0.00 174.94 176.45 3gem s THR 11 N 1.23 4.58 -1.24 2.92 -4.23 -0.58 -2.25 115.64 116.07 3gem s THR 11 Ca -0.02 1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.59 3gem s THR 11 Cb -0.17 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.05 3gem s THR 11 CO -0.08 -0.30 1.04 0.61 -0.54 0.00 0.00 174.62 175.36 3gem n GLY 12 N -0.64 -0.40 1.59 3.99 0.00 -0.93 -2.62 105.19 106.18 3gem n GLY 12 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.34 3.95 0.75 4.61 0.00 -0.51 -2.89 120.51 122.07 3gem n ALA 13 Ca -0.21 -2.31 0.12 0.00 0.00 0.00 0.00 53.44 51.04 3gem n ALA 13 Cb 0.64 -1.02 0.23 0.00 0.00 0.00 0.00 19.45 19.30 3gem n ALA 13 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gem n SER 14 N -0.15 0.58 -4.77 0.00 3.41 -1.26 -2.37 113.62 109.06 3gem n SER 14 Ca 0.32 0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.53 3gem n SER 14 Cb 1.18 0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 65.27 3gem n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gem s GLN 15 N -3.10 4.12 0.23 4.33 -2.07 -1.14 -4.74 119.66 117.29 3gem s GLN 15 Ca 0.08 2.44 -0.16 0.00 -1.82 0.00 0.00 55.36 55.90 3gem s GLN 15 Cb 0.15 -2.95 0.26 0.00 -1.09 0.00 0.00 33.01 29.38 3gem s GLN 15 CO 0.70 -0.47 1.57 0.00 -1.32 0.00 0.00 175.29 175.77 3gem h ARG 16 N 3.01 -0.04 -0.46 9.60 2.47 -1.89 0.10 114.38 127.17 3gem h ARG 16 Ca -0.50 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.19 3gem h ARG 16 Cb 1.24 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.55 3gem h ARG 16 CO 0.64 -0.03 0.19 0.28 0.56 0.00 0.00 179.97 181.61 3gem h VAL 17 N -0.04 1.20 -0.83 2.04 2.07 -1.95 -1.64 116.25 117.10 3gem h VAL 17 Ca 0.34 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3gem h VAL 17 Cb 0.60 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3gem h VAL 17 CO -0.88 0.23 0.39 1.23 0.02 0.00 0.00 177.57 178.56 3gem h GLY 18 N 0.60 1.29 0.73 2.17 0.00 -1.68 -1.78 103.07 104.39 3gem h GLY 18 Ca 0.15 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.86 3gem h GLY 18 CO -0.01 0.61 -0.04 -2.00 0.00 0.00 0.00 176.54 175.10 3gem h LEU 19 N 1.18 -0.15 -0.24 3.11 5.85 -0.43 0.89 115.31 125.52 3gem h LEU 19 Ca 0.28 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.07 3gem h LEU 19 Cb 0.13 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3gem h LEU 19 CO -0.03 -0.06 0.08 -0.74 -0.34 0.00 0.00 178.44 177.35 3gem h HIS 20 N -0.03 0.15 -0.59 1.25 2.76 -1.08 -1.65 115.15 115.97 3gem h HIS 20 Ca 0.06 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3gem h HIS 20 Cb 0.12 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 3gem h HIS 20 CO -0.17 0.07 0.20 0.00 -1.30 0.00 0.00 177.93 176.73 3gem h ALA 22 N 1.06 0.81 -0.59 0.00 0.00 -0.57 -1.24 119.26 118.73 3gem h ALA 22 Ca 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3gem h ALA 22 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gem h ALA 22 CO -0.01 0.41 0.01 -0.07 0.00 0.00 0.00 179.25 179.59 3gem h LEU 23 N 0.86 1.00 -0.62 0.00 3.38 -1.06 -1.22 115.31 117.66 3gem h LEU 23 Ca 0.21 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3gem h LEU 23 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3gem h LEU 23 CO -0.02 1.06 0.00 0.03 0.09 0.00 0.00 178.44 179.60 3gem h ARG 24 N 0.92 1.09 -0.60 1.13 2.47 -0.99 -0.70 114.38 117.70 3gem h ARG 24 Ca 0.17 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 3gem h ARG 24 Cb 0.54 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 3gem h ARG 24 CO 0.03 1.06 0.32 -0.07 0.56 0.00 0.00 179.97 181.87 3gem h LEU 25 N 0.99 0.75 -0.38 3.04 3.38 -1.05 0.39 115.31 122.43 3gem h LEU 25 Ca 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3gem h LEU 25 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3gem h LEU 25 CO 0.03 0.63 0.13 -0.07 0.09 0.00 0.00 178.44 179.25 3gem h LEU 26 N 0.81 0.55 -0.79 1.67 3.38 -0.95 -1.64 115.31 118.34 3gem h LEU 26 Ca 0.21 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3gem h LEU 26 Cb 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3gem h LEU 26 CO -0.03 0.60 0.50 -0.33 0.09 0.00 0.00 178.44 179.27 3gem h GLU 27 N 0.47 0.95 0.00 1.13 5.08 -0.91 -0.71 114.58 120.59 3gem h GLU 27 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3gem h GLU 27 Cb 0.24 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3gem h GLU 27 CO -0.01 0.63 0.00 1.25 -1.00 0.00 0.00 179.01 179.89 3gem h HIS 28 N 0.98 0.00 0.00 4.33 2.76 -0.54 -3.46 115.15 119.23 3gem h HIS 28 Ca 0.32 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 3gem h HIS 28 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 3gem h HIS 28 CO -0.03 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.01 3gem n GLY 29 N -1.05 0.95 3.84 5.26 0.00 -0.27 -5.08 105.19 108.85 3gem n GLY 29 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.45 0.10 1.61 3.76 -0.67 -5.01 115.29 116.53 3gem s HIS 30 Ca 0.00 1.43 -0.29 0.00 -0.15 0.00 0.00 55.06 56.05 3gem s HIS 30 Cb 0.00 -2.76 -0.06 0.00 1.11 0.00 0.00 32.58 30.87 3gem s HIS 30 CO 0.00 -0.34 0.91 1.03 -0.85 0.00 0.00 174.74 175.49 3gem s ARG 31 N -4.02 4.65 -0.04 1.40 0.52 -1.26 -4.42 118.95 115.78 3gem s ARG 31 Ca 0.58 1.35 0.02 0.00 -0.52 0.00 0.00 55.73 57.17 3gem s ARG 31 Cb -0.10 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.01 3gem s ARG 31 CO 0.31 0.25 -0.09 0.08 0.02 0.00 0.00 175.30 175.87 3gem s VAL 32 N -0.08 0.80 -0.10 3.52 1.01 -1.26 -0.63 120.40 123.66 3gem s VAL 32 Ca 0.44 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 3gem s VAL 32 Cb -0.23 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3gem s VAL 32 CO 0.28 0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.94 3gem s ILE 33 N 0.50 3.61 0.09 2.22 1.01 0.14 -1.04 121.20 127.74 3gem s ILE 33 Ca -0.08 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.17 3gem s ILE 33 Cb -0.12 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3gem s ILE 33 CO 0.01 0.56 -0.25 0.27 0.00 0.00 0.00 174.94 175.53 3gem s ILE 34 N -0.29 2.03 0.12 2.92 -5.25 -0.12 -0.86 121.20 119.74 3gem s ILE 34 Ca 0.04 -1.54 0.04 0.00 -0.99 0.00 0.00 60.65 58.19 3gem s ILE 34 Cb -0.13 -1.78 -0.04 0.00 2.95 0.00 0.00 42.46 43.46 3gem s ILE 34 CO 0.02 0.14 0.13 -0.94 -1.79 0.00 0.00 174.94 172.50 3gem s SER 35 N -1.71 5.65 -0.01 4.36 1.04 -0.96 -0.13 113.70 121.95 3gem s SER 35 Ca 0.11 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.47 3gem s SER 35 Cb -0.10 -1.53 -0.00 0.00 0.10 0.00 0.00 66.02 64.49 3gem s SER 35 CO 0.04 0.12 0.08 -0.72 0.98 0.00 0.00 173.24 173.74 3gem s TYR 36 N -1.58 0.05 -0.28 5.02 -0.85 -0.46 -1.43 117.35 117.83 3gem s TYR 36 Ca 0.31 -0.11 0.22 0.00 -0.52 0.00 0.00 57.07 56.96 3gem s TYR 36 Cb -0.11 -0.06 -0.27 0.00 0.38 0.00 0.00 41.96 41.90 3gem s TYR 36 CO 0.23 -0.19 0.64 2.89 -1.52 0.00 0.00 175.55 177.60 3gem n ARG 37 N 1.98 0.49 -3.77 -3.49 1.85 -1.26 -0.73 116.66 111.74 3gem n ARG 37 Ca -0.20 -0.13 -0.13 0.00 -1.00 0.00 0.00 57.85 56.40 3gem n ARG 37 Cb 0.57 -1.54 -0.10 0.00 -1.05 0.00 0.00 32.46 30.34 3gem n ARG 37 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3gem s THR 38 N -3.38 0.03 0.32 8.89 -4.23 -1.26 -4.93 115.64 111.07 3gem s THR 38 Ca -0.03 -0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 3gem s THR 38 Cb 0.14 -0.51 -0.10 0.00 1.34 0.00 0.00 72.50 73.37 3gem s THR 38 CO 0.89 -0.13 1.32 -1.61 -0.54 0.00 0.00 174.62 174.55 3gem s GLU 39 N -0.52 4.35 -0.25 3.99 8.01 -1.26 -4.96 118.70 128.05 3gem s GLU 39 Ca -0.06 2.22 -0.26 0.00 0.01 0.00 0.00 54.97 56.87 3gem s GLU 39 Cb -0.04 -3.08 0.12 0.00 -4.31 0.00 0.00 34.13 26.83 3gem s GLU 39 CO 0.02 -0.21 1.03 -1.58 0.01 0.00 0.00 175.26 174.53 3gem s HIS 40 N -0.99 -0.45 0.30 1.61 5.65 -1.26 -5.04 115.29 115.11 3gem s HIS 40 Ca 0.50 1.03 0.04 0.00 0.25 0.00 0.00 55.06 56.88 3gem s HIS 40 Cb -0.40 0.38 0.80 0.00 -1.18 0.00 0.00 32.58 32.18 3gem s HIS 40 CO 0.51 -0.25 1.48 0.00 -0.65 0.00 0.00 174.74 175.84 3gem n ALA 41 N 1.87 0.55 0.24 1.58 0.00 -1.26 0.86 120.51 124.35 3gem n ALA 41 Ca -0.12 1.01 0.07 0.00 0.00 0.00 0.00 53.44 54.40 3gem n ALA 41 Cb 0.56 -0.77 0.58 0.00 0.00 0.00 0.00 19.45 19.83 3gem n ALA 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gem h SER 42 N 0.00 0.00 -0.57 0.00 4.64 -1.97 -0.46 113.55 115.20 3gem h SER 42 Ca 0.61 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.92 3gem h SER 42 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 3gem h SER 42 CO -0.87 0.14 0.32 0.58 -0.87 0.00 0.00 176.83 176.13 3gem h VAL 43 N 0.00 1.18 -0.56 0.95 2.07 0.09 0.94 116.25 120.92 3gem h VAL 43 Ca -0.00 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 3gem h VAL 43 Cb 0.26 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3gem h VAL 43 CO 0.02 0.19 0.06 0.74 0.02 0.00 0.00 177.57 178.60 3gem h THR 44 N 0.76 1.25 -0.52 2.57 2.02 -1.13 -0.52 112.91 117.34 3gem h THR 44 Ca 0.20 -0.99 0.08 0.00 0.77 0.00 0.00 66.41 66.48 3gem h THR 44 Cb 0.02 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3gem h THR 44 CO -0.03 0.36 0.14 -0.08 0.37 0.00 0.00 175.52 176.27 3gem h GLU 45 N 0.86 0.28 -0.32 6.66 4.81 -0.84 0.23 114.58 126.26 3gem h GLU 45 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3gem h GLU 45 Cb 0.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3gem h GLU 45 CO 0.01 0.19 0.12 -0.07 -0.73 0.00 0.00 179.01 178.53 3gem h LEU 46 N 0.29 0.45 -0.40 1.64 3.38 -0.14 -0.69 115.31 119.85 3gem h LEU 46 Ca 0.26 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3gem h LEU 46 Cb 0.34 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3gem h LEU 46 CO -0.31 0.51 0.00 0.03 0.09 0.00 0.00 178.44 178.76 3gem h ARG 47 N 0.37 0.10 -0.48 1.13 3.08 -0.45 -0.48 114.38 117.66 3gem h ARG 47 Ca 0.11 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.19 3gem h ARG 47 Cb 0.20 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3gem h ARG 47 CO -0.01 0.07 0.32 1.96 -1.07 0.00 0.00 179.97 181.24 3gem h GLN 48 N 0.11 0.51 0.00 0.04 4.20 -0.21 -1.29 115.11 118.46 3gem h GLN 48 Ca 0.19 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3gem h GLN 48 Cb 0.27 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3gem h GLN 48 CO -0.32 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 3gem n ALA 49 N -2.49 2.12 0.00 3.87 0.00 -0.30 -4.89 120.51 118.83 3gem n ALA 49 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3gem n ALA 49 Cb 0.16 -1.40 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 1.02 0.86 3.78 0.00 0.00 -0.49 -4.92 105.19 105.45 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 3.09 -0.52 4.61 0.00 -0.31 -4.71 121.76 121.92 3gem s ALA 51 Ca 0.00 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 3gem s ALA 51 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.90 3gem s ALA 51 CO 0.00 -0.18 0.82 0.08 0.00 0.00 0.00 175.76 176.49 3gem s VAL 52 N -1.68 4.57 -0.28 0.00 1.01 -0.21 -4.37 120.40 119.45 3gem s VAL 52 Ca 0.58 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 3gem s VAL 52 Cb -0.21 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 3gem s VAL 52 CO 0.27 -0.96 0.35 0.00 0.00 0.00 0.00 175.10 174.75 3gem s ALA 53 N 3.46 3.55 -0.05 5.51 0.00 -1.26 -0.95 121.76 132.02 3gem s ALA 53 Ca 0.26 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.40 3gem s ALA 53 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 3gem s ALA 53 CO 0.17 -0.68 -0.24 -0.51 0.00 0.00 0.00 175.76 174.51 3gem s LEU 54 N 2.03 2.04 0.21 0.00 1.43 0.82 -4.98 118.68 120.24 3gem s LEU 54 Ca 0.14 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 3gem s LEU 54 Cb -0.16 -1.30 -0.11 0.00 0.03 0.00 0.00 46.19 44.66 3gem s LEU 54 CO 0.10 0.24 1.56 -0.47 0.23 0.00 0.00 176.35 178.02 3gem s TYR 55 N -0.20 2.98 -0.06 0.29 5.04 -1.26 -1.35 117.35 122.79 3gem s TYR 55 Ca -0.02 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.30 3gem s TYR 55 Cb -0.13 -3.96 0.03 0.00 0.35 0.00 0.00 41.96 38.26 3gem s TYR 55 CO 0.03 -3.40 0.06 0.20 -1.34 0.00 0.00 175.55 171.10 3gem s GLY 56 N 0.85 0.24 -0.39 8.97 0.00 0.09 -4.76 107.32 112.33 3gem s GLY 56 Ca 0.67 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 45.43 3gem s GLY 56 CO 0.37 1.41 0.20 -0.35 0.00 0.00 0.00 173.10 174.72 3gem s ASP 57 N 2.15 5.49 -0.09 1.64 2.15 -1.26 -4.03 116.67 122.73 3gem s ASP 57 Ca 0.05 -1.40 0.12 0.00 0.43 0.00 0.00 52.55 51.74 3gem s ASP 57 Cb -0.12 -1.93 0.49 0.00 -0.30 0.00 0.00 42.92 41.05 3gem s ASP 57 CO -0.04 -0.46 1.34 0.49 -0.17 0.00 0.00 175.17 176.33 3gem n PHE 58 N 4.85 1.04 0.30 -5.34 3.72 -1.26 -2.41 117.46 118.36 3gem n PHE 58 Ca -0.10 -0.41 0.17 0.00 -0.05 0.00 0.00 57.45 57.06 3gem n PHE 58 Cb 0.43 -0.20 0.73 0.00 -0.94 0.00 0.00 39.48 39.50 3gem n PHE 58 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gem h SER 59 N 2.72 0.00 -4.89 4.37 4.64 -1.90 -3.23 113.55 115.26 3gem h SER 59 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3gem h SER 59 Cb 1.10 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.07 3gem h SER 59 CO 0.18 0.00 0.40 0.00 -0.87 0.00 0.00 176.83 176.54 3gem h GLU 61 N 2.00 0.37 -0.27 0.00 4.81 -1.93 -0.53 114.58 119.03 3gem h GLU 61 Ca -0.25 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3gem h GLU 61 Cb 1.26 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3gem h GLU 61 CO 0.31 0.25 0.17 1.15 -0.73 0.00 0.00 179.01 180.16 3gem h THR 62 N 0.38 1.05 -0.70 0.32 2.02 -1.96 -2.53 112.91 111.51 3gem h THR 62 Ca 0.50 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.49 3gem h THR 62 Cb 0.89 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3gem h THR 62 CO -0.50 0.06 0.18 1.23 0.37 0.00 0.00 175.52 176.86 3gem h GLY 63 N 0.35 1.19 -1.48 2.16 0.00 -1.48 0.13 103.07 103.94 3gem h GLY 63 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3gem h GLY 63 CO -0.03 0.69 0.00 1.39 0.00 0.00 0.00 176.54 178.59 3gem n ILE 64 N -4.26 0.14 0.00 2.60 5.41 -0.29 -1.75 119.36 121.21 3gem n ILE 64 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3gem n ILE 64 Cb 0.25 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 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 0.60 0.00 -0.09 -1.39 0.00 0.44 -1.41 120.51 118.66 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 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 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 0.45 -0.72 0.00 3.57 -1.59 -1.89 116.94 116.77 3gem h PHE 67 Ca 0.00 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.49 3gem h PHE 67 Cb 0.00 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3gem h PHE 67 CO 0.00 0.52 0.43 0.82 -2.23 0.00 0.00 178.31 177.86 3gem h ILE 68 N 0.26 1.05 -0.39 1.41 2.04 -1.51 0.15 117.51 120.51 3gem h ILE 68 Ca 0.08 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.68 3gem h ILE 68 Cb 0.30 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3gem h ILE 68 CO 0.00 0.15 0.23 0.44 0.00 0.00 0.00 178.15 178.98 3gem h ASP 69 N 0.83 0.38 -0.43 1.72 3.32 -1.79 -0.88 116.42 119.56 3gem h ASP 69 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3gem h ASP 69 Cb 0.09 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3gem h ASP 69 CO -0.14 0.27 0.24 0.25 -1.72 0.00 0.00 179.24 178.14 3gem h LEU 70 N 0.47 0.53 -0.56 1.55 5.85 -0.84 -2.46 115.31 119.85 3gem h LEU 70 Ca 0.16 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3gem h LEU 70 Cb 0.00 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3gem h LEU 70 CO -0.07 0.45 0.29 0.25 -0.34 0.00 0.00 178.44 179.02 3gem h LEU 71 N 0.56 0.42 -0.66 2.25 5.85 -0.32 -2.47 115.31 120.94 3gem h LEU 71 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3gem h LEU 71 Cb 0.04 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3gem h LEU 71 CO -0.03 0.28 0.00 0.29 -0.34 0.00 0.00 178.44 178.65 3gem n LYS 72 N -4.86 0.19 0.19 1.25 5.02 -0.37 -1.36 118.16 118.23 3gem n LYS 72 Ca 0.06 0.41 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 3gem n LYS 72 Cb 0.15 -1.86 0.21 0.00 -0.02 0.00 0.00 35.03 33.51 3gem n LYS 72 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3gem h THR 73 N 0.00 0.51 0.18 -0.18 1.35 -1.00 -3.34 112.91 110.43 3gem h THR 73 Ca 0.00 -1.52 -0.33 0.00 -0.55 0.00 0.00 66.41 64.01 3gem h THR 73 Cb 0.38 2.09 0.01 0.00 -1.73 0.00 0.00 68.15 68.90 3gem h THR 73 CO 0.00 0.27 -1.58 1.56 -0.25 0.00 0.00 175.52 175.52 3gem h GLN 74 N 0.00 0.39 -3.13 4.72 1.08 -1.20 -3.48 115.11 113.48 3gem h GLN 74 Ca -0.00 -0.66 -0.13 0.00 -1.45 0.00 0.00 58.65 56.40 3gem h GLN 74 Cb 1.07 0.25 -0.22 0.00 -0.05 0.00 0.00 27.48 28.53 3gem h GLN 74 CO 0.04 1.29 -0.35 -0.08 -0.95 0.00 0.00 178.83 178.77 3gem s THR 75 N -2.60 0.04 -1.94 -0.54 -1.32 -1.09 -5.01 115.64 103.18 3gem s THR 75 Ca -0.11 -0.36 0.19 0.00 -1.21 0.00 0.00 61.69 60.19 3gem s THR 75 Cb 0.06 -0.51 0.38 0.00 -1.51 0.00 0.00 72.50 70.92 3gem s THR 75 CO 0.88 -0.20 1.31 -1.54 -2.21 0.00 0.00 174.62 172.87 3gem n SER 76 N 1.84 3.22 -3.90 8.08 3.41 -1.26 -4.59 113.62 120.42 3gem n SER 76 Ca -0.19 -1.92 -0.09 0.00 -0.26 0.00 0.00 58.87 56.41 3gem n SER 76 Cb 0.57 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.25 0.17 -0.00 4.04 1.04 -1.26 -4.55 113.70 111.89 3gem s SER 77 Ca 0.33 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3gem s SER 77 Cb 0.19 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3gem s SER 77 CO 0.26 -0.65 -0.01 -0.76 0.98 0.00 0.00 173.24 173.06 3gem s LEU 78 N -2.64 1.93 0.05 2.42 1.43 -0.40 -4.26 118.68 117.20 3gem s LEU 78 Ca 0.02 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3gem s LEU 78 Cb 0.04 -0.06 -0.33 0.00 0.03 0.00 0.00 46.19 45.87 3gem s LEU 78 CO -0.09 0.00 1.06 -0.09 0.23 0.00 0.00 176.35 177.46 3gem h ARG 79 N 6.22 0.45 -2.83 1.70 9.65 -0.64 -3.38 114.38 125.55 3gem h ARG 79 Ca -0.26 -0.76 0.02 0.00 -1.10 0.00 0.00 59.98 57.87 3gem h ARG 79 Cb 1.20 0.28 -0.12 0.00 -1.39 0.00 0.00 29.97 29.94 3gem h ARG 79 CO 0.51 1.36 0.28 0.00 2.80 0.00 0.00 179.97 184.92 3gem s ALA 80 N -2.63 -1.63 -0.12 2.80 0.00 -1.23 -2.08 121.76 116.87 3gem s ALA 80 Ca -0.07 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.47 3gem s ALA 80 Cb 0.05 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.97 3gem s ALA 80 CO 0.93 -0.77 -0.16 0.08 0.00 0.00 0.00 175.76 175.84 3gem s VAL 81 N -3.61 1.56 -0.34 0.00 1.01 -0.34 -1.15 120.40 117.53 3gem s VAL 81 Ca 0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3gem s VAL 81 Cb -0.01 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.98 3gem s VAL 81 CO -0.11 0.45 0.11 -0.69 0.00 0.00 0.00 175.10 174.87 3gem s VAL 82 N 1.05 3.74 -1.09 2.92 1.01 0.15 -0.82 120.40 127.35 3gem s VAL 82 Ca -0.05 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.53 3gem s VAL 82 Cb -0.15 -3.15 0.08 0.00 0.00 0.00 0.00 36.38 33.16 3gem s VAL 82 CO -0.03 -0.21 1.48 -1.00 0.00 0.00 0.00 175.10 175.33 3gem s HIS 83 N 1.38 2.75 -0.11 5.22 3.76 0.71 -1.53 115.29 127.47 3gem s HIS 83 Ca -0.01 -1.22 0.19 0.00 -0.15 0.00 0.00 55.06 53.87 3gem s HIS 83 Cb -0.20 -4.63 -0.29 0.00 1.11 0.00 0.00 32.58 28.58 3gem s HIS 83 CO 0.02 -1.80 0.27 -1.71 -0.85 0.00 0.00 174.74 170.67 3gem n ASN 84 N 8.19 0.17 -4.63 1.40 5.15 -1.25 -1.28 115.26 123.00 3gem n ASN 84 Ca 0.36 0.00 -0.48 0.00 -0.60 0.00 0.00 54.58 53.86 3gem n ASN 84 Cb 0.49 1.48 -0.05 0.00 -0.53 0.00 0.00 39.78 41.17 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 -2.48 0.27 -3.33 5.20 0.00 -1.08 -4.88 120.51 114.22 3gem n ALA 85 Ca -0.18 0.47 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3gem n ALA 85 Cb 0.84 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 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 0.61 -0.37 -0.05 0.00 0.15 -1.26 -4.72 113.70 108.05 3gem s SER 86 Ca 0.79 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 58.15 3gem s SER 86 Cb -0.79 0.69 0.03 0.00 -1.71 0.00 0.00 66.02 64.24 3gem s SER 86 CO 0.44 -0.13 -0.00 -0.70 1.20 0.00 0.00 173.24 174.04 3gem s GLU 87 N 0.42 0.53 -0.17 5.44 2.12 -1.26 -5.10 118.70 120.68 3gem s GLU 87 Ca -0.02 0.08 -0.07 0.00 0.36 0.00 0.00 54.97 55.32 3gem s GLU 87 Cb -0.04 -0.81 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 3gem s GLU 87 CO -0.02 -0.23 0.08 -0.46 -0.54 0.00 0.00 175.26 174.10 3gem s TRP 88 N 1.59 3.33 -0.01 5.30 -0.00 -1.26 -5.03 118.94 122.86 3gem s TRP 88 Ca -0.01 0.20 0.03 0.00 -0.00 0.00 0.00 56.10 56.32 3gem s TRP 88 Cb -0.13 -2.05 -0.01 0.00 -0.00 0.00 0.00 33.47 31.28 3gem s TRP 88 CO -0.03 0.29 -0.09 -0.51 -0.00 0.00 0.00 176.95 176.61 3gem s LEU 89 N 0.06 2.01 0.69 5.86 1.43 -1.26 -5.15 118.68 122.33 3gem s LEU 89 Ca 0.07 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 3gem s LEU 89 Cb -0.12 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.63 3gem s LEU 89 CO 0.00 0.11 1.25 0.00 0.23 0.00 0.00 176.35 177.95 3gem s ALA 90 N -0.21 2.25 -1.42 4.21 0.00 -1.26 -4.89 121.76 120.44 3gem s ALA 90 Ca 0.03 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.96 3gem s ALA 90 Cb -0.04 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.63 3gem s ALA 90 CO -0.00 -1.73 2.38 0.39 0.00 0.00 0.00 175.76 176.80 3gem n GLU 91 N -2.28 3.80 -2.08 0.00 1.02 -1.26 -4.89 120.64 114.95 3gem n GLU 91 Ca 0.15 -2.99 -0.42 0.00 -0.02 0.00 0.00 57.16 53.87 3gem n GLU 91 Cb 0.49 -2.87 -0.03 0.00 -0.02 0.00 0.00 31.44 29.01 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 0.89 3.28 0.17 2.62 2.01 -1.26 -4.83 115.64 118.52 3gem s THR 92 Ca 0.53 0.79 -0.33 0.00 0.31 0.00 0.00 61.69 62.99 3gem s THR 92 Cb 0.15 -3.51 -0.14 0.00 0.01 0.00 0.00 72.50 69.01 3gem s THR 92 CO -0.06 0.02 1.45 -2.65 -0.69 0.00 0.00 174.62 172.69 3gem n PRO 93 N 4.98 1.85 -0.22 4.92 -0.02 -1.26 -0.50 135.00 144.75 3gem n PRO 93 Ca 0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3gem n PRO 93 Cb 0.42 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 2.76 1.83 0.01 -1.23 0.00 -1.26 -4.79 105.19 102.50 3gem n GLY 94 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 2.29 -0.21 1.61 1.02 0.34 -4.85 120.64 118.85 3gem n GLU 95 Ca 0.00 -1.37 -0.07 0.00 -0.02 0.00 0.00 57.16 55.70 3gem n GLU 95 Cb 0.00 -0.93 0.03 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.83 -0.22 3.49 3.07 -1.81 -1.34 114.58 118.60 3gem h GLU 96 Ca 0.00 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 3gem h GLU 96 Cb 0.64 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3gem h GLU 96 CO 0.00 0.66 -0.01 0.00 -1.40 0.00 0.00 179.01 178.26 3gem h ALA 97 N 1.12 0.30 -0.37 3.43 0.00 -1.91 0.09 119.26 121.91 3gem h ALA 97 Ca 0.20 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3gem h ALA 97 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3gem h ALA 97 CO -0.03 0.04 0.12 -0.44 0.00 0.00 0.00 179.25 178.94 3gem h ASP 98 N 0.15 0.12 -0.58 0.00 3.32 -1.89 -0.70 116.42 116.85 3gem h ASP 98 Ca 0.06 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3gem h ASP 98 Cb 0.43 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3gem h ASP 98 CO 0.01 0.10 0.15 0.78 -1.72 0.00 0.00 179.24 178.57 3gem h ASN 99 N 0.27 0.86 -0.42 6.45 2.35 -1.13 -1.34 115.58 122.63 3gem h ASN 99 Ca 0.17 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3gem h ASN 99 Cb 0.16 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3gem h ASN 99 CO -0.19 0.86 0.20 0.15 -1.65 0.00 0.00 177.43 176.81 3gem h PHE 100 N 0.82 0.37 -0.88 1.19 -0.00 -0.64 -2.78 116.94 115.02 3gem h PHE 100 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 58.15 3gem h PHE 100 Cb 0.33 -0.10 -0.04 0.00 -0.00 0.00 0.00 35.95 36.13 3gem h PHE 100 CO 0.02 0.19 0.45 1.15 -0.00 0.00 0.00 178.31 180.12 3gem h THR 101 N 0.41 1.26 0.00 4.41 2.02 -1.00 0.38 112.91 120.38 3gem h THR 101 Ca 0.18 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3gem h THR 101 Cb 0.10 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3gem h THR 101 CO -0.13 0.30 0.00 -1.14 0.37 0.00 0.00 175.52 174.92 3gem n ARG 102 N -4.32 0.41 0.00 6.66 0.63 -0.52 -0.70 116.66 118.82 3gem n ARG 102 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3gem n ARG 102 Cb 0.12 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 31.78 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 0.55 0.00 -0.14 -0.14 7.35 0.12 -1.77 117.46 123.43 3gem n PHE 104 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 3gem n PHE 104 Cb 0.15 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.97 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 0.70 -0.02 -2.13 0.87 -1.17 -0.24 113.55 111.56 3gem h SER 105 Ca 0.00 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.15 3gem h SER 105 Cb 0.00 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3gem h SER 105 CO 0.00 0.84 -0.40 0.58 -0.53 0.00 0.00 176.83 177.32 3gem h VAL 106 N 0.55 1.47 -0.01 2.23 2.07 -1.36 -0.47 116.25 120.73 3gem h VAL 106 Ca 0.12 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3gem h VAL 106 Cb 0.47 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3gem h VAL 106 CO 0.02 0.55 -0.09 1.41 0.02 0.00 0.00 177.57 179.48 3gem n HIS 107 N -4.38 0.00 0.00 1.57 8.25 -1.23 -4.31 115.22 115.13 3gem n HIS 107 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3gem n HIS 107 Cb 0.57 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.62 0.00 0.09 2.41 7.94 -0.10 -4.48 117.00 122.24 3gem n LEU 109 Ca 0.17 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.93 3gem n LEU 109 Cb 0.29 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.15 3gem n LEU 109 CO 0.21 0.00 0.69 0.00 -1.11 0.00 0.00 177.39 177.19 3gem h ALA 110 N 0.00 -0.21 -1.01 1.96 0.00 -1.27 -0.65 119.26 118.09 3gem h ALA 110 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3gem h ALA 110 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3gem h ALA 110 CO 0.00 -0.50 0.66 -1.35 0.00 0.00 0.00 179.25 178.06 3gem h PRO 111 N -0.44 1.23 0.36 0.00 0.11 -1.82 -0.26 132.00 131.18 3gem h PRO 111 Ca -0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3gem h PRO 111 Cb 0.34 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3gem h PRO 111 CO 0.03 0.81 -0.17 -0.92 -0.21 0.00 0.00 178.00 177.55 3gem h TYR 112 N 1.26 -0.44 -0.45 0.65 3.20 -1.86 -0.61 116.97 118.72 3gem h TYR 112 Ca 0.40 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.21 3gem h TYR 112 Cb 0.02 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3gem h TYR 112 CO -0.00 -0.27 0.08 -0.07 -1.64 0.00 0.00 178.16 176.26 3gem h LEU 113 N -0.49 0.71 -0.24 2.82 3.38 -0.89 -1.77 115.31 118.83 3gem h LEU 113 Ca -0.05 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3gem h LEU 113 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gem h LEU 113 CO 0.08 0.78 0.14 0.40 0.09 0.00 0.00 178.44 179.93 3gem h ILE 114 N 0.61 1.02 -0.42 1.22 2.04 -1.04 -0.23 117.51 120.70 3gem h ILE 114 Ca 0.14 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3gem h ILE 114 Cb 0.37 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3gem h ILE 114 CO 0.01 0.05 0.23 0.78 0.00 0.00 0.00 178.15 179.22 3gem h ASN 115 N 0.29 0.53 -0.12 1.72 2.35 -1.01 0.21 115.58 119.55 3gem h ASN 115 Ca 0.09 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gem h ASN 115 Cb -0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3gem h ASN 115 CO -0.05 0.47 0.07 -0.07 -1.65 0.00 0.00 177.43 176.20 3gem h LEU 116 N 0.55 0.15 -0.23 1.61 3.38 -1.16 -2.20 115.31 117.41 3gem h LEU 116 Ca 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3gem h LEU 116 Cb 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gem h LEU 116 CO -0.02 0.18 -0.11 0.45 0.09 0.00 0.00 178.44 179.03 3gem h HIS 117 N 0.10 0.00 -0.16 1.13 3.86 -0.85 -3.27 115.15 115.95 3gem h HIS 117 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3gem h HIS 117 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3gem h HIS 117 CO -0.04 0.11 0.00 0.00 0.86 0.00 0.00 177.93 178.86 3gem h GLU 119 N 3.93 0.74 0.00 0.00 4.81 -1.45 -0.96 114.58 121.64 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 0.86 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3gem h GLU 119 CO 0.00 0.49 -0.19 -1.35 -0.73 0.00 0.00 179.01 177.24 3gem h PRO 120 N 0.77 0.00 -0.46 0.92 0.11 -1.85 -0.64 132.00 130.84 3gem h PRO 120 Ca 0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.44 3gem h PRO 120 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3gem h PRO 120 CO -0.31 0.19 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.38 3gem h LEU 121 N 0.00 0.99 -0.15 2.35 4.07 -1.43 -2.86 115.31 118.28 3gem h LEU 121 Ca -0.00 -0.40 -0.22 0.00 0.08 0.00 0.00 57.88 57.34 3gem h LEU 121 Cb 0.40 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 41.88 3gem h LEU 121 CO 0.02 1.17 -0.75 -0.07 -1.08 0.00 0.00 178.44 177.73 3gem h LEU 122 N 0.80 0.93 0.00 1.67 3.38 -0.98 -1.01 115.31 120.10 3gem h LEU 122 Ca 0.10 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3gem h LEU 122 Cb 0.80 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3gem h LEU 122 CO 0.07 1.41 0.00 0.35 0.09 0.00 0.00 178.44 180.35 3gem n THR 123 N -3.96 0.63 0.96 0.22 -2.24 -0.31 -1.32 114.28 108.25 3gem n THR 123 Ca -0.07 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 3gem n THR 123 Cb 0.73 -0.82 0.58 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.49 2.24 -2.80 6.98 0.00 -1.08 -4.75 120.51 119.60 3gem n ALA 124 Ca 0.05 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 3gem n ALA 124 Cb 0.23 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.96 5.92 0.26 0.00 0.15 -0.44 -4.97 113.70 111.67 3gem s SER 125 Ca 0.14 0.34 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 3gem s SER 125 Cb 0.18 -1.83 0.32 0.00 -1.71 0.00 0.00 66.02 62.98 3gem s SER 125 CO 0.48 0.40 1.83 -0.08 1.20 0.00 0.00 173.24 177.06 3gem h GLU 126 N 5.06 0.99 -5.34 5.44 4.81 -1.85 -3.38 114.58 120.31 3gem h GLU 126 Ca -0.53 -0.18 -0.67 0.00 -0.13 0.00 0.00 59.36 57.85 3gem h GLU 126 Cb 1.21 -0.16 -0.31 0.00 0.63 0.00 0.00 28.75 30.12 3gem h GLU 126 CO 0.56 0.82 -0.85 0.08 -0.73 0.00 0.00 179.01 178.90 3gem s VAL 127 N -5.42 2.35 -0.01 0.32 1.01 -1.26 -5.08 120.40 112.31 3gem s VAL 127 Ca -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3gem s VAL 127 Cb 0.16 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3gem s VAL 127 CO 0.81 0.55 -0.03 0.00 0.00 0.00 0.00 175.10 176.44 3gem s ALA 128 N 0.34 0.32 0.04 5.51 0.00 -1.26 -4.76 121.76 121.95 3gem s ALA 128 Ca -0.17 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3gem s ALA 128 Cb -0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3gem s ALA 128 CO 0.08 0.03 -0.12 -0.51 0.00 0.00 0.00 175.76 175.24 3gem s ASP 129 N 0.28 1.46 -0.08 0.00 1.01 -0.88 -1.41 116.67 117.05 3gem s ASP 129 Ca -0.03 -0.47 0.04 0.00 0.71 0.00 0.00 52.55 52.81 3gem s ASP 129 Cb -0.06 -0.07 -0.01 0.00 1.01 0.00 0.00 42.92 43.79 3gem s ASP 129 CO -0.01 -0.02 -0.22 -0.63 0.21 0.00 0.00 175.17 174.51 3gem s ILE 130 N -0.94 2.34 -0.12 0.77 1.01 0.30 -1.20 121.20 123.36 3gem s ILE 130 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3gem s ILE 130 Cb -0.08 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3gem s ILE 130 CO 0.01 0.56 -0.11 -0.69 0.00 0.00 0.00 174.94 174.71 3gem s VAL 131 N -0.06 1.29 -0.28 2.92 1.01 0.00 -1.32 120.40 123.95 3gem s VAL 131 Ca -0.06 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3gem s VAL 131 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3gem s VAL 131 CO 0.05 0.41 0.41 -1.00 0.00 0.00 0.00 175.10 174.96 3gem s HIS 132 N 1.52 3.24 -0.41 5.22 3.76 -0.18 -0.21 115.29 128.23 3gem s HIS 132 Ca 0.03 0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 55.13 3gem s HIS 132 Cb -0.13 -2.64 0.01 0.00 1.11 0.00 0.00 32.58 30.93 3gem s HIS 132 CO -0.08 -0.29 0.50 0.42 -0.85 0.00 0.00 174.74 174.44 3gem s ILE 133 N 2.14 5.01 0.00 0.60 -1.09 -0.40 -1.22 121.20 126.23 3gem s ILE 133 Ca 0.16 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3gem s ILE 133 Cb -0.16 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 3gem s ILE 133 CO 0.10 -0.41 0.00 -1.54 -1.23 0.00 0.00 174.94 171.87 3gem n SER 134 N 5.79 0.00 -3.65 3.58 3.41 -0.12 -4.78 113.62 117.86 3gem n SER 134 Ca -0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3gem n SER 134 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.85 -0.25 0.30 4.04 -1.08 -1.26 -4.52 116.67 113.05 3gem s ASP 135 Ca 0.00 0.40 0.22 0.00 -0.52 0.00 0.00 52.55 52.65 3gem s ASP 135 Cb 0.00 1.02 1.10 0.00 -1.46 0.00 0.00 42.92 43.59 3gem s ASP 135 CO 0.00 -0.06 1.66 -0.67 0.52 0.00 0.00 175.17 176.62 3gem n ASP 136 N 3.18 0.58 -0.30 -0.34 2.03 -0.30 -2.78 116.55 118.62 3gem n ASP 136 Ca -0.17 0.73 0.33 0.00 0.52 0.00 0.00 54.79 56.21 3gem n ASP 136 Cb 0.57 -0.82 0.73 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.44 0.00 5.18 3.04 -1.93 -2.46 116.25 120.52 3gem h VAL 137 Ca 0.00 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 3gem h VAL 137 Cb 0.10 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 29.77 3gem h VAL 137 CO 0.00 0.01 -0.08 0.71 -1.01 0.00 0.00 177.57 177.20 3gem h THR 138 N 0.03 0.58 -0.36 3.17 1.35 -1.84 -1.01 112.91 114.84 3gem h THR 138 Ca 0.55 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 3gem h THR 138 Cb 2.13 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 69.75 3gem h THR 138 CO -0.03 0.08 0.24 0.03 -0.25 0.00 0.00 175.52 175.59 3gem h ARG 139 N 0.00 0.48 0.00 4.72 -0.00 -1.72 -3.27 114.38 114.59 3gem h ARG 139 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 3gem h ARG 139 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.08 3gem h ARG 139 CO 0.01 0.32 -1.76 1.17 0.00 0.00 0.00 179.97 179.70 3gem n LYS 140 N -4.84 0.60 -0.05 0.04 4.81 -1.11 -5.11 118.16 112.50 3gem n LYS 140 Ca -0.00 -0.16 0.01 0.00 -0.87 0.00 0.00 58.31 57.29 3gem n LYS 140 Cb 0.02 -1.47 -0.00 0.00 0.02 0.00 0.00 35.03 33.60 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 1.37 -1.41 2.83 3.14 0.00 -0.40 -4.99 105.19 105.73 3gem n GLY 141 Ca -0.03 -1.52 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.70 0.77 0.22 1.61 0.15 -1.26 -4.87 113.70 107.62 3gem s SER 142 Ca 0.00 0.32 -0.08 0.00 0.70 0.00 0.00 55.95 56.89 3gem s SER 142 Cb 0.00 0.27 0.23 0.00 -1.71 0.00 0.00 66.02 64.81 3gem s SER 142 CO 0.00 -0.25 1.86 -1.28 1.20 0.00 0.00 173.24 174.77 3gem h SER 143 N 8.37 0.80 0.05 5.45 0.87 -1.99 -3.22 113.55 123.87 3gem h SER 143 Ca -0.13 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 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 0.14 0.55 -0.53 0.11 -0.53 0.00 0.00 176.83 176.58 3gem h LYS 144 N 0.95 0.11 -2.16 2.24 1.57 -2.05 -3.40 116.57 113.82 3gem h LYS 144 Ca 0.31 -0.18 -0.75 0.00 -1.87 0.00 0.00 60.65 58.17 3gem h LYS 144 Cb 0.03 0.07 -0.31 0.00 0.08 0.00 0.00 32.23 32.10 3gem h LYS 144 CO -0.12 1.09 0.62 0.72 -0.57 0.00 0.00 179.45 181.19 3gem n HIS 145 N -4.39 3.09 0.15 -1.35 8.25 -1.22 -4.83 115.22 114.93 3gem n HIS 145 Ca -0.15 -2.81 -0.14 0.00 -0.26 0.00 0.00 57.72 54.35 3gem n HIS 145 Cb 0.64 -0.99 -0.08 0.00 1.12 0.00 0.00 29.99 30.68 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 2.33 0.79 -0.28 1.59 2.04 -1.77 -1.24 117.51 120.96 3gem h ILE 146 Ca 0.45 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 3gem h ILE 146 Cb 0.33 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3gem h ILE 146 CO 1.14 0.03 0.08 0.00 0.00 0.00 0.00 178.15 179.41 3gem h ALA 147 N 0.37 0.37 0.11 1.87 0.00 -1.91 -0.53 119.26 119.54 3gem h ALA 147 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3gem h ALA 147 Cb 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3gem h ALA 147 CO 0.05 0.01 -0.22 -0.92 0.00 0.00 0.00 179.25 178.17 3gem h TYR 148 N 0.29 -0.58 -0.63 0.00 3.20 -1.89 -1.68 116.97 115.68 3gem h TYR 148 Ca 0.09 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.05 3gem h TYR 148 Cb 0.25 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 3gem h TYR 148 CO 0.01 -0.32 0.29 0.00 -1.64 0.00 0.00 178.16 176.50 3gem h ALA 150 N 1.39 1.33 -0.21 0.00 0.00 -0.66 -0.23 119.26 120.88 3gem h ALA 150 Ca 0.31 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3gem h ALA 150 Cb 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gem h ALA 150 CO -0.26 0.52 -0.54 1.79 0.00 0.00 0.00 179.25 180.76 3gem h THR 151 N 0.90 1.31 -0.28 0.00 1.35 -0.83 -0.95 112.91 114.40 3gem h THR 151 Ca 0.22 -1.78 -0.07 0.00 -0.55 0.00 0.00 66.41 64.24 3gem h THR 151 Cb 0.11 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 3gem h THR 151 CO -0.03 0.56 -0.12 0.11 -0.25 0.00 0.00 175.52 175.80 3gem h LYS 152 N 0.48 0.47 -0.34 4.72 1.79 -0.68 -2.25 116.57 120.76 3gem h LYS 152 Ca 0.01 -0.13 -0.15 0.00 -2.18 0.00 0.00 60.65 58.20 3gem h LYS 152 Cb 1.10 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 3gem h LYS 152 CO 0.11 0.58 -0.39 0.00 -1.08 0.00 0.00 179.45 178.67 3gem h ALA 153 N 1.45 0.67 -0.97 3.86 0.00 -0.73 -1.74 119.26 121.80 3gem h ALA 153 Ca 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3gem h ALA 153 Cb 0.47 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3gem h ALA 153 CO 0.03 0.67 0.63 0.78 0.00 0.00 0.00 179.25 181.36 3gem h GLY 154 N 0.88 1.38 1.03 0.00 0.00 -0.98 -2.25 103.07 103.13 3gem h GLY 154 Ca 0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3gem h GLY 154 CO 0.09 0.52 0.19 -2.00 0.00 0.00 0.00 176.54 175.33 3gem h LEU 155 N 1.33 0.96 -1.48 3.11 5.85 -1.16 -2.52 115.31 121.41 3gem h LEU 155 Ca 0.36 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3gem h LEU 155 Cb -0.13 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.63 3gem h LEU 155 CO -0.07 0.92 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.60 3gem h GLU 156 N 0.95 0.31 -0.64 1.25 5.08 -0.95 -1.54 114.58 119.04 3gem h GLU 156 Ca 0.21 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3gem h GLU 156 Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3gem h GLU 156 CO -0.00 0.36 0.12 1.03 -1.00 0.00 0.00 179.01 179.51 3gem h SER 157 N 0.30 0.98 -0.58 1.42 0.87 -1.00 -2.60 113.55 112.95 3gem h SER 157 Ca 0.07 -0.22 0.11 0.00 -1.23 0.00 0.00 61.79 60.52 3gem h SER 157 Cb 0.24 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3gem h SER 157 CO 0.01 0.97 0.39 -0.07 -0.53 0.00 0.00 176.83 177.60 3gem h LEU 158 N 0.97 0.28 -0.31 2.23 3.38 -0.95 -1.31 115.31 119.61 3gem h LEU 158 Ca 0.20 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3gem h LEU 158 Cb 0.40 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3gem h LEU 158 CO 0.01 0.16 0.10 0.74 0.09 0.00 0.00 178.44 179.54 3gem h THR 159 N 0.31 0.90 -0.46 0.22 2.02 -1.31 0.94 112.91 115.53 3gem h THR 159 Ca 0.27 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 67.23 3gem h THR 159 Cb 0.65 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3gem h THR 159 CO -0.06 0.04 -0.25 -0.07 0.37 0.00 0.00 175.52 175.55 3gem h LEU 160 N 0.23 1.02 0.12 2.58 3.38 -1.31 -0.77 115.31 120.56 3gem h LEU 160 Ca 0.14 -0.41 -0.20 0.00 0.09 0.00 0.00 57.88 57.50 3gem h LEU 160 Cb 0.12 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.60 3gem h LEU 160 CO -0.15 1.21 -0.86 0.28 0.09 0.00 0.00 178.44 179.01 3gem h SER 161 N 0.84 0.55 0.09 -0.43 0.02 -1.18 -2.48 113.55 110.96 3gem h SER 161 Ca 0.10 -0.90 -0.09 0.00 -0.84 0.00 0.00 61.79 60.06 3gem h SER 161 Cb 0.84 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3gem h SER 161 CO 0.07 1.40 -0.31 -0.26 -1.14 0.00 0.00 176.83 176.60 3gem h PHE 162 N -0.21 0.37 -0.80 3.45 0.04 -0.89 -0.76 116.94 118.13 3gem h PHE 162 Ca -0.14 -0.08 0.05 0.00 2.80 0.00 0.00 57.97 60.60 3gem h PHE 162 Cb 1.64 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 39.64 3gem h PHE 162 CO 0.17 0.60 0.49 0.00 -0.60 0.00 0.00 178.31 178.98 3gem h ALA 163 N 1.40 1.08 -0.16 2.45 0.00 -1.07 0.16 119.26 123.12 3gem h ALA 163 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3gem h ALA 163 Cb 0.69 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gem h ALA 163 CO 0.05 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 3gem h ALA 164 N 1.37 0.22 -0.29 0.00 0.00 -1.12 -2.71 119.26 116.73 3gem h ALA 164 Ca 0.34 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3gem h ALA 164 Cb 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gem h ALA 164 CO -0.16 0.00 -0.47 -0.09 0.00 0.00 0.00 179.25 178.53 3gem h ARG 165 N 0.01 0.77 -0.02 0.00 2.43 -0.66 -3.26 114.38 113.65 3gem h ARG 165 Ca 0.04 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3gem h ARG 165 Cb 0.50 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3gem h ARG 165 CO 0.02 1.07 -0.08 1.19 -1.51 0.00 0.00 179.97 180.67 3gem n PHE 166 N -4.02 0.00 -2.23 2.20 3.72 0.53 -4.87 117.46 112.79 3gem n PHE 166 Ca -0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 3gem n PHE 166 Cb 0.58 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 39.08 3gem n PHE 166 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gem s ALA 167 N -2.13 3.05 -1.97 4.37 0.00 -1.02 -1.89 121.76 122.18 3gem s ALA 167 Ca 0.33 0.99 0.26 0.00 0.00 0.00 0.00 51.96 53.54 3gem s ALA 167 Cb 0.20 -3.40 0.70 0.00 0.00 0.00 0.00 23.12 20.62 3gem s ALA 167 CO 0.38 -0.66 1.53 -0.35 0.00 0.00 0.00 175.76 176.66 3gem n PRO 168 N -0.26 1.08 0.16 0.00 -0.04 -1.26 -4.89 135.00 129.79 3gem n PRO 168 Ca 0.06 -0.69 0.09 0.00 -0.04 0.00 0.00 63.50 62.92 3gem n PRO 168 Cb 0.47 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.68 0.00 -7.74 1.53 3.38 -1.84 -3.44 115.31 108.87 3gem h LEU 169 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3gem h LEU 169 Cb 0.55 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.95 3gem h LEU 169 CO 0.00 0.16 -0.79 -0.69 0.09 0.00 0.00 178.44 177.20 3gem s VAL 170 N -3.17 0.83 0.11 1.22 1.01 -0.79 -4.14 120.40 115.47 3gem s VAL 170 Ca 0.04 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 3gem s VAL 170 Cb 0.07 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.53 3gem s VAL 170 CO 0.72 0.31 0.72 -0.54 0.00 0.00 0.00 175.10 176.31 3gem s LYS 171 N 1.32 4.46 -0.09 2.72 1.02 -0.50 -4.09 119.74 124.57 3gem s LYS 171 Ca -0.03 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.96 3gem s LYS 171 Cb -0.14 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 3gem s LYS 171 CO -0.03 0.52 -0.03 0.08 -0.92 0.00 0.00 175.35 174.97 3gem s VAL 172 N -0.87 0.63 0.12 3.17 1.01 -1.26 -0.54 120.40 122.67 3gem s VAL 172 Ca 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 3gem s VAL 172 Cb -0.21 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3gem s VAL 172 CO 0.23 0.28 0.10 0.20 0.00 0.00 0.00 175.10 175.92 3gem s ASN 173 N 1.87 0.26 0.29 3.32 0.01 -0.44 -0.10 114.94 120.15 3gem s ASN 173 Ca 0.05 -1.05 0.12 0.00 -0.71 0.00 0.00 52.86 51.26 3gem s ASN 173 Cb -0.13 0.31 -0.05 0.00 0.41 0.00 0.00 41.25 41.80 3gem s ASN 173 CO -0.06 -0.74 -0.18 -0.83 -1.51 0.00 0.00 177.10 173.77 3gem s GLY 174 N -2.99 1.90 -0.07 0.66 0.00 0.13 -1.01 107.32 105.94 3gem s GLY 174 Ca 0.18 -1.89 0.03 0.00 0.00 0.00 0.00 44.72 43.04 3gem s GLY 174 CO -0.02 -1.96 -0.15 -0.42 0.00 0.00 0.00 173.10 170.55 3gem s ILE 175 N -2.51 1.37 -0.51 0.90 1.01 -0.36 -0.10 121.20 121.01 3gem s ILE 175 Ca 0.30 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3gem s ILE 175 Cb -0.04 -1.23 0.13 0.00 0.01 0.00 0.00 42.46 41.33 3gem s ILE 175 CO 0.15 0.41 0.26 0.00 0.00 0.00 0.00 174.94 175.77 3gem s ALA 176 N 0.58 3.06 0.32 9.38 0.00 0.58 -0.94 121.76 134.73 3gem s ALA 176 Ca -0.16 -3.14 -0.23 0.00 0.00 0.00 0.00 51.96 48.43 3gem s ALA 176 Cb -0.16 -2.10 -0.10 0.00 0.00 0.00 0.00 23.12 20.76 3gem s ALA 176 CO 0.05 -2.03 0.88 -1.25 0.00 0.00 0.00 175.76 173.41 3gem s PRO 177 N -0.20 4.41 0.30 0.00 0.05 -1.26 -2.18 135.00 136.13 3gem s PRO 177 Ca 0.18 1.14 -0.28 0.00 0.05 0.00 0.00 61.00 62.09 3gem s PRO 177 Cb -0.25 -2.70 -0.09 0.00 0.05 0.00 0.00 34.50 31.51 3gem s PRO 177 CO -0.01 0.25 0.99 0.00 0.05 0.00 0.00 177.00 178.28 3gem s ALA 178 N -1.71 3.27 -0.89 8.56 0.00 -0.36 -1.15 121.76 129.47 3gem s ALA 178 Ca 0.51 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3gem s ALA 178 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3gem s ALA 178 CO 0.21 0.07 0.00 1.28 0.00 0.00 0.00 175.76 177.32 3gem n LEU 179 N 0.86 -1.05 -1.45 0.00 4.77 -1.26 -4.94 117.00 113.92 3gem n LEU 179 Ca 0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3gem n LEU 179 Cb 0.48 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 3gem n LEU 179 CO 0.48 -0.29 0.04 -0.11 -1.33 0.00 0.00 177.39 176.17 3gem n LEU 180 N -1.20 0.20 0.00 2.23 7.94 -1.26 -2.68 117.00 122.24 3gem n LEU 180 Ca -0.10 -0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 3gem n LEU 180 Cb 0.44 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.35 3gem n LEU 180 CO 0.14 0.04 0.00 0.49 -1.11 0.00 0.00 177.39 176.94 3gem n PHE 182 N 1.44 0.00 -2.21 1.96 3.72 -1.26 -4.93 117.46 116.18 3gem n PHE 182 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3gem n PHE 182 Cb 0.02 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 3gem n PHE 182 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3gem s GLN 183 N 0.00 4.41 -0.09 -1.08 -1.52 -1.09 -5.28 119.66 115.00 3gem s GLN 183 Ca 0.00 2.08 -0.22 0.00 -1.95 0.00 0.00 55.36 55.27 3gem s GLN 183 Cb 0.00 -3.15 -0.18 0.00 -0.22 0.00 0.00 33.01 29.45 3gem s GLN 183 CO 0.00 -0.18 0.76 -1.00 -0.25 0.00 0.00 175.29 174.62 3gem h PRO 184 N 4.59 -0.07 0.00 2.91 0.13 -1.94 -3.51 132.00 134.11 3gem h PRO 184 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gem h PRO 184 Cb 1.22 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3gem h PRO 184 CO 0.73 0.53 0.00 0.39 -0.23 0.00 0.00 178.00 179.42 3gem n GLU 203 N -4.77 0.00 -0.24 0.86 1.02 -1.26 -4.79 120.64 111.46 3gem n GLU 203 Ca -0.08 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.22 3gem n GLU 203 Cb 0.31 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.19 3gem n GLU 203 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3gem h PRO 204 N 0.00 0.49 -0.19 3.49 0.11 -2.05 -1.96 132.00 131.89 3gem h PRO 204 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3gem h PRO 204 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3gem h PRO 204 CO 0.00 0.32 0.01 0.78 -0.21 0.00 0.00 178.00 178.90 3gem h GLY 205 N 0.50 0.35 1.20 -0.55 0.00 -2.01 -0.50 103.07 102.07 3gem h GLY 205 Ca 0.45 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 3gem h GLY 205 CO -0.18 0.23 -0.23 0.00 0.00 0.00 0.00 176.54 176.37 3gem h ALA 206 N 0.79 0.75 -0.63 3.60 0.00 -1.84 -2.47 119.26 119.46 3gem h ALA 206 Ca 0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3gem h ALA 206 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3gem h ALA 206 CO 0.01 0.66 0.11 1.49 0.00 0.00 0.00 179.25 181.52 3gem h GLU 207 N 0.79 1.03 -0.65 0.00 4.57 -1.23 -0.62 114.58 118.47 3gem h GLU 207 Ca 0.10 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 3gem h GLU 207 Cb 0.78 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 3gem h GLU 207 CO 0.06 0.94 0.31 -0.24 -1.18 0.00 0.00 179.01 178.91 3gem h VAL 208 N 0.97 1.21 -0.12 0.32 3.04 -0.99 0.35 116.25 121.02 3gem h VAL 208 Ca 0.20 -0.59 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 3gem h VAL 208 Cb 0.41 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 3gem h VAL 208 CO 0.01 0.25 0.06 0.40 -1.01 0.00 0.00 177.57 177.28 3gem h ILE 209 N 0.92 1.11 -0.45 3.17 2.04 -0.98 -1.30 117.51 122.01 3gem h ILE 209 Ca 0.23 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3gem h ILE 209 Cb 0.09 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3gem h ILE 209 CO -0.03 0.10 0.13 0.22 0.00 0.00 0.00 178.15 178.57 3gem h TYR 210 N 0.08 0.22 -0.95 1.37 3.20 -0.84 -0.12 116.97 119.92 3gem h TYR 210 Ca 0.04 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3gem h TYR 210 Cb 0.11 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.28 3gem h TYR 210 CO -0.03 0.05 0.60 1.96 -1.64 0.00 0.00 178.16 179.10 3gem h GLN 211 N 0.28 1.00 -0.48 1.82 4.20 -0.71 0.30 115.11 121.51 3gem h GLN 211 Ca 0.22 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 3gem h GLN 211 Cb 0.25 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3gem h GLN 211 CO -0.25 0.66 -0.02 0.77 -0.67 0.00 0.00 178.83 179.32 3gem h SER 212 N 1.04 0.85 -0.21 1.46 0.02 -0.53 -1.29 113.55 114.89 3gem h SER 212 Ca 0.44 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3gem h SER 212 Cb 0.29 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3gem h SER 212 CO -0.21 0.96 0.11 0.25 -1.14 0.00 0.00 176.83 176.80 3gem h LEU 213 N 0.72 0.17 -0.94 5.07 5.85 -0.42 -1.64 115.31 124.12 3gem h LEU 213 Ca 0.13 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3gem h LEU 213 Cb 0.54 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3gem h LEU 213 CO 0.03 0.13 0.61 0.03 -0.34 0.00 0.00 178.44 178.90 3gem h ARG 214 N 0.23 1.16 -0.27 1.25 2.47 -0.82 -0.08 114.38 118.32 3gem h ARG 214 Ca 0.08 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3gem h ARG 214 Cb 0.01 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.05 3gem h ARG 214 CO -0.05 0.77 0.15 -0.92 0.56 0.00 0.00 179.97 180.48 3gem h TYR 215 N 1.20 0.36 -0.17 3.04 3.20 -0.95 -0.67 116.97 122.98 3gem h TYR 215 Ca 0.37 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 3gem h TYR 215 Cb -0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3gem h TYR 215 CO -0.01 0.30 0.05 -0.07 -1.64 0.00 0.00 178.16 176.78 3gem h LEU 216 N 0.32 0.25 -0.76 2.82 3.38 -0.92 -1.81 115.31 118.60 3gem h LEU 216 Ca 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3gem h LEU 216 Cb 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3gem h LEU 216 CO -0.02 0.40 0.41 -0.07 0.09 0.00 0.00 178.44 179.26 3gem h LEU 217 N 0.09 0.95 0.00 1.67 3.38 -0.89 -2.65 115.31 117.86 3gem h LEU 217 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gem h LEU 217 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gem h LEU 217 CO -0.00 0.78 -0.06 0.47 0.09 0.00 0.00 178.44 179.72 3gem n ASP 218 N -4.44 0.37 -4.82 -0.43 8.00 -0.27 -4.88 116.55 110.08 3gem n ASP 218 Ca 0.07 0.47 -0.32 0.00 0.71 0.00 0.00 54.79 55.72 3gem n ASP 218 Cb 0.10 -0.53 0.02 0.00 -0.02 0.00 0.00 41.12 40.68 3gem n ASP 218 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gem s SER 219 N -3.63 5.75 -0.01 -2.24 1.04 -0.69 -5.00 113.70 108.92 3gem s SER 219 Ca 0.12 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.32 3gem s SER 219 Cb 0.16 -2.51 -0.11 0.00 0.10 0.00 0.00 66.02 63.66 3gem s SER 219 CO 0.57 -1.19 0.15 0.35 0.98 0.00 0.00 173.24 174.11 3gem n THR 220 N -2.40 0.02 -1.98 2.02 -2.24 -1.26 -4.78 114.28 103.65 3gem n THR 220 Ca 0.08 -0.17 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 3gem n THR 220 Cb 0.53 0.28 0.12 0.00 -2.10 0.00 0.00 70.33 69.16 3gem n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gem n TYR 221 N -1.78 0.62 -3.89 4.78 9.36 -1.26 -4.99 117.16 120.00 3gem n TYR 221 Ca -0.02 -1.46 -0.28 0.00 3.32 0.00 0.00 57.90 59.46 3gem n TYR 221 Cb 0.22 -0.24 -0.17 0.00 -0.63 0.00 0.00 39.34 38.52 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 -2.81 1.07 0.03 2.97 1.01 -1.26 -5.11 120.40 116.31 3gem s VAL 222 Ca 0.39 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 3gem s VAL 222 Cb 0.38 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.59 3gem s VAL 222 CO -0.07 0.20 0.39 0.28 0.00 0.00 0.00 175.10 175.90 3gem s THR 223 N 1.66 0.06 -0.08 3.92 -1.32 -1.26 -4.66 115.64 113.96 3gem s THR 223 Ca 0.02 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 3gem s THR 223 Cb -0.14 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 3gem s THR 223 CO -0.08 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 3gem n GLY 224 N 0.62 0.46 3.79 6.08 0.00 0.86 -4.96 105.19 112.04 3gem n GLY 224 Ca -0.19 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.89 3.65 -0.11 2.61 -4.23 -1.25 -4.75 115.64 109.67 3gem s THR 225 Ca 0.00 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3gem s THR 225 Cb 0.00 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.72 3gem s THR 225 CO 0.00 -0.25 -0.06 -0.89 -0.54 0.00 0.00 174.62 172.88 3gem s THR 226 N -2.29 0.93 -0.15 3.99 2.01 -1.26 0.20 115.64 119.06 3gem s THR 226 Ca 0.37 -0.26 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 3gem s THR 226 Cb -0.06 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3gem s THR 226 CO 0.24 0.32 0.87 -0.76 -0.69 0.00 0.00 174.62 174.61 3gem s LEU 227 N 1.75 4.19 -0.16 4.42 1.02 0.86 -4.92 118.68 125.84 3gem s LEU 227 Ca 0.05 1.26 -0.22 0.00 0.02 0.00 0.00 54.13 55.24 3gem s LEU 227 Cb -0.13 -3.31 -0.03 0.00 0.02 0.00 0.00 46.19 42.74 3gem s LEU 227 CO -0.08 -0.41 0.67 -0.89 0.02 0.00 0.00 176.35 175.66 3gem s THR 228 N 2.12 5.01 -0.45 5.49 2.01 -1.26 -0.31 115.64 128.26 3gem s THR 228 Ca 0.41 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.74 3gem s THR 228 Cb -0.17 -3.99 0.13 0.00 0.01 0.00 0.00 72.50 68.48 3gem s THR 228 CO 0.13 0.14 0.21 -0.69 -0.69 0.00 0.00 174.62 173.73 3gem s VAL 229 N 1.61 1.86 0.00 3.82 1.01 -0.93 -4.95 120.40 122.83 3gem s VAL 229 Ca 0.32 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.59 3gem s VAL 229 Cb -0.16 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3gem s VAL 229 CO 0.12 -0.81 0.59 -0.46 0.00 0.00 0.00 175.10 174.54 3gem n ASN 230 N 3.57 0.00 -0.66 3.32 6.94 -1.26 -1.23 115.26 125.94 3gem n ASN 230 Ca 0.06 -1.34 -0.09 0.00 -0.02 0.00 0.00 54.58 53.20 3gem n ASN 230 Cb 0.35 -0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.98 2.09 4.83 0.00 -1.26 -1.95 105.19 109.89 3gem n GLY 231 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.14 0.55 0.38 -0.02 0.00 -1.26 -4.93 105.19 98.77 3gem n GLY 232 Ca -0.09 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 0.55 0.00 1.61 3.08 -1.82 -1.87 114.38 115.92 3gem h ARG 233 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3gem h ARG 233 Cb 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3gem h ARG 233 CO 0.10 0.36 0.00 -2.39 -1.07 0.00 0.00 179.97 176.98 3gem n HIS 234 N -4.54 0.20 0.59 3.04 1.44 -1.26 -2.41 115.22 112.29 3gem n HIS 234 Ca 0.17 0.08 0.07 0.00 -2.01 0.00 0.00 57.72 56.02 3gem n HIS 234 Cb 0.53 -0.62 0.01 0.00 0.12 0.00 0.00 29.99 30.03 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 -1.68 0.00 1.30 0.61 0.24 -0.71 -5.23 118.33 112.86 3gem n VAL 235 Ca 0.03 -0.39 0.13 0.00 -2.04 0.00 0.00 64.34 62.08 3gem n VAL 235 Cb 0.20 1.18 0.36 0.00 -1.47 0.00 0.00 33.84 34.11 3gem n VAL 235 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98