#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oft s ALA 44 N 0.00 3.97 -1.30 0.55 0.00 -1.26 -4.27 121.76 119.45 1oft s ALA 44 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1oft s ALA 44 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1oft s ALA 44 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 175.76 176.38 1oft n ALA 45 N -0.29 -0.19 -2.70 0.00 0.00 -1.26 -4.54 120.51 111.53 1oft n ALA 45 Ca -0.06 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.40 1oft n ALA 45 Cb 0.53 -1.80 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1oft n ALA 45 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1oft s PHE 46 N -2.06 0.86 -0.07 0.00 5.36 -1.26 -0.29 117.98 120.52 1oft s PHE 46 Ca 0.00 -0.24 -0.24 0.00 -0.96 0.00 0.00 56.93 55.48 1oft s PHE 46 Cb 0.00 -0.53 0.05 0.00 -0.34 0.00 0.00 43.02 42.20 1oft s PHE 46 CO 0.00 -0.01 0.56 -1.54 -1.46 0.00 0.00 175.22 172.77 1oft s SER 47 N -0.62 -0.52 -0.03 6.13 1.04 -0.61 -4.72 113.70 114.37 1oft s SER 47 Ca 0.01 0.62 0.05 0.00 0.48 0.00 0.00 55.95 57.11 1oft s SER 47 Cb -0.05 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1oft s SER 47 CO 0.00 -0.49 -0.18 -0.70 0.98 0.00 0.00 173.24 172.85 1oft s GLU 48 N -0.96 1.73 -0.12 4.02 2.12 -1.26 -1.13 118.70 123.10 1oft s GLU 48 Ca -0.10 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 54.61 1oft s GLU 48 Cb -0.02 -1.56 0.00 0.00 0.26 0.00 0.00 34.13 32.82 1oft s GLU 48 CO 0.07 0.31 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.72 1oft s LEU 49 N -0.16 2.18 -0.11 2.70 0.20 0.39 -4.96 118.68 118.93 1oft s LEU 49 Ca 0.00 -0.55 0.03 0.00 0.69 0.00 0.00 54.13 54.30 1oft s LEU 49 Cb -0.10 -1.45 -0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1oft s LEU 49 CO 0.01 0.12 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.54 1oft s SER 50 N 0.57 3.32 -0.15 3.68 0.01 -1.26 -0.73 113.70 119.14 1oft s SER 50 Ca -0.12 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1oft s SER 50 Cb -0.17 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.64 1oft s SER 50 CO 0.04 0.16 -0.15 -0.76 0.41 0.00 0.00 173.24 172.94 1oft s LEU 51 N 0.33 1.76 -0.03 2.44 1.43 -0.89 -4.98 118.68 118.75 1oft s LEU 51 Ca -0.17 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 1oft s LEU 51 Cb -0.17 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1oft s LEU 51 CO 0.08 -0.04 -0.17 -0.94 0.23 0.00 0.00 176.35 175.52 1oft s SER 52 N 1.41 2.05 0.00 2.29 1.04 -1.26 -1.82 113.70 117.40 1oft s SER 52 Ca 0.04 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1oft s SER 52 Cb -0.13 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1oft s SER 52 CO -0.10 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1oft n GLY 53 N 2.97 0.64 3.58 7.32 0.00 -1.26 -4.97 105.19 113.46 1oft n GLY 53 Ca -0.17 -1.80 -0.57 0.00 0.00 0.00 0.00 46.02 43.49 1oft n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oft n LEU 54 N 0.00 1.05 -0.33 0.99 7.99 -1.26 -4.76 117.00 120.69 1oft n LEU 54 Ca 0.00 1.14 0.18 0.00 -0.01 0.00 0.00 56.01 57.31 1oft n LEU 54 Cb 0.00 -1.05 0.41 0.00 -0.11 0.00 0.00 43.42 42.67 1oft n LEU 54 CO 0.00 -1.29 1.20 1.55 -1.51 0.00 0.00 177.39 177.34 1oft h PRO 55 N 4.28 0.56 0.45 3.23 0.13 -1.98 -1.29 132.00 137.37 1oft h PRO 55 Ca -0.49 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1oft h PRO 55 Cb 1.37 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1oft h PRO 55 CO 0.77 0.37 -0.22 0.78 -0.23 0.00 0.00 178.00 179.47 1oft h GLY 56 N 0.57 -0.63 0.10 1.56 0.00 -2.01 -2.91 103.07 99.76 1oft h GLY 56 Ca 0.58 0.23 0.08 0.00 0.00 0.00 0.00 47.33 48.23 1oft h GLY 56 CO -0.35 -0.23 -0.16 0.84 0.00 0.00 0.00 176.54 176.64 1oft h HIS 57 N -0.85 -0.39 -0.84 5.60 6.17 -1.70 -0.52 115.15 122.62 1oft h HIS 57 Ca -0.06 0.04 0.21 0.00 0.71 0.00 0.00 60.37 61.27 1oft h HIS 57 Cb 0.57 0.23 -0.15 0.00 2.52 0.00 0.00 27.41 30.58 1oft h HIS 57 CO 0.00 -0.24 0.07 0.00 0.71 0.00 0.00 177.93 178.47 1oft h LEU 59 N 0.11 0.67 -0.41 0.00 3.38 -0.91 -1.11 115.31 117.05 1oft h LEU 59 Ca 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1oft h LEU 59 Cb 0.93 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1oft h LEU 59 CO -0.72 0.58 0.18 0.74 0.09 0.00 0.00 178.44 179.30 1oft h THR 60 N 0.75 1.19 0.00 0.22 2.02 0.18 -1.42 112.91 115.85 1oft h THR 60 Ca 0.19 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1oft h THR 60 Cb 0.08 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1oft h THR 60 CO -0.03 0.21 -0.11 -0.07 0.37 0.00 0.00 175.52 175.89 1oft h LEU 61 N 0.52 0.00 0.23 2.58 4.07 -0.18 -3.05 115.31 119.47 1oft h LEU 61 Ca 0.14 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.76 1oft h LEU 61 Cb 0.16 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.93 1oft h LEU 61 CO -0.01 0.11 -1.58 0.25 -1.08 0.00 0.00 178.44 176.12 1oft h LEU 62 N 0.00 0.75 -0.63 1.67 6.46 -0.62 -3.39 115.31 119.56 1oft h LEU 62 Ca -0.00 -0.91 0.07 0.00 -0.12 0.00 0.00 57.88 56.92 1oft h LEU 62 Cb 0.44 -0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 40.02 1oft h LEU 62 CO 0.01 1.73 -0.55 0.00 -0.62 0.00 0.00 178.44 179.02 1oft h ALA 63 N 0.15 -0.63 -0.79 1.25 0.00 -1.16 -0.11 119.26 117.98 1oft h ALA 63 Ca -0.29 0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.86 1oft h ALA 63 Cb 2.14 1.18 -0.13 0.00 0.00 0.00 0.00 17.79 20.98 1oft h ALA 63 CO 0.24 -0.99 0.09 -1.00 0.00 0.00 0.00 179.25 177.58 1oft h PRO 64 N -0.25 0.15 -0.28 0.00 0.13 -1.75 0.36 132.00 130.36 1oft h PRO 64 Ca 0.12 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1oft h PRO 64 Cb 0.54 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1oft h PRO 64 CO -0.72 0.10 0.16 0.82 -0.23 0.00 0.00 178.00 178.12 1oft h ILE 65 N 0.15 1.12 -0.57 -3.56 2.04 -1.25 -0.16 117.51 115.28 1oft h ILE 65 Ca 0.45 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 1oft h ILE 65 Cb 0.82 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1oft h ILE 65 CO -0.64 0.12 0.08 -0.07 0.00 0.00 0.00 178.15 177.63 1oft h LEU 66 N 0.35 0.91 -0.74 1.44 3.38 -0.48 -1.76 115.31 118.41 1oft h LEU 66 Ca 0.10 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1oft h LEU 66 Cb 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1oft h LEU 66 CO -0.02 0.95 0.44 -0.09 0.09 0.00 0.00 178.44 179.81 1oft h ARG 67 N 0.84 0.80 0.16 1.13 2.43 0.09 0.20 114.38 120.03 1oft h ARG 67 Ca 0.17 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1oft h ARG 67 Cb 0.43 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1oft h ARG 67 CO 0.01 0.53 -0.08 1.49 -1.51 0.00 0.00 179.97 180.41 1oft h GLU 68 N 0.82 -0.21 -0.86 0.20 4.57 -0.68 -2.07 114.58 116.35 1oft h GLU 68 Ca 0.32 0.01 0.33 0.00 -1.18 0.00 0.00 59.36 58.84 1oft h GLU 68 Cb 0.14 0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 28.62 1oft h GLU 68 CO -0.16 -0.14 0.34 1.28 -1.18 0.00 0.00 179.01 179.15 1oft n LEU 69 N -2.58 0.19 0.18 1.64 4.77 -0.69 0.15 117.00 120.65 1oft n LEU 69 Ca -0.03 1.43 0.03 0.00 -0.03 0.00 0.00 56.01 57.42 1oft n LEU 69 Cb 0.09 -0.65 0.32 0.00 -2.33 0.00 0.00 43.42 40.85 1oft n LEU 69 CO 0.06 -1.56 0.66 0.77 -1.33 0.00 0.00 177.39 175.99 1oft h SER 70 N 0.00 0.00 -0.57 -1.43 4.64 -0.25 -2.54 113.55 113.40 1oft h SER 70 Ca 0.67 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.96 1oft h SER 70 Cb 1.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.77 1oft h SER 70 CO -0.70 0.43 0.04 -1.84 -0.87 0.00 0.00 176.83 173.89 1oft n GLU 71 N -3.78 4.56 -1.36 4.77 0.28 0.40 -4.75 120.64 120.75 1oft n GLU 71 Ca -0.01 -3.13 -0.36 0.00 -0.16 0.00 0.00 57.16 53.50 1oft n GLU 71 Cb 0.49 -2.23 0.08 0.00 1.43 0.00 0.00 31.44 31.22 1oft n GLU 71 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1oft n GLU 72 N 0.40 0.49 -0.08 3.44 -0.58 -0.74 -4.92 120.64 118.65 1oft n GLU 72 Ca 0.29 0.22 -0.13 0.00 -0.42 0.00 0.00 57.16 57.12 1oft n GLU 72 Cb 1.20 -2.14 -0.05 0.00 -0.57 0.00 0.00 31.44 29.88 1oft n GLU 72 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1oft h GLN 73 N -0.22 0.66 -5.54 3.49 5.75 -1.92 -3.43 115.11 113.90 1oft h GLN 73 Ca -0.47 -0.37 -0.62 0.00 -0.15 0.00 0.00 58.65 57.05 1oft h GLN 73 Cb 1.34 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.86 1oft h GLN 73 CO 0.46 0.98 1.55 -3.47 -2.65 0.00 0.00 178.83 175.70 1oft n ASP 74 N -4.28 0.88 0.20 -0.69 -0.08 -1.26 -4.72 116.55 106.60 1oft n ASP 74 Ca -0.04 0.33 0.08 0.00 -1.51 0.00 0.00 54.79 53.65 1oft n ASP 74 Cb 0.48 -1.02 0.43 0.00 2.34 0.00 0.00 41.12 43.35 1oft n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1oft h ALA 75 N 11.64 1.24 -2.24 -1.67 0.00 -2.01 -3.43 119.26 122.78 1oft h ALA 75 Ca -0.12 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.36 1oft h ALA 75 Cb 1.35 0.00 0.18 0.00 0.00 0.00 0.00 17.79 19.32 1oft h ALA 75 CO 1.21 -0.24 0.10 1.03 0.00 0.00 0.00 179.25 181.35 1oft s ARG 76 N -3.47 -0.42 0.66 0.00 0.52 -1.26 -5.01 118.95 109.96 1oft s ARG 76 Ca -0.02 0.55 -0.15 0.00 -0.52 0.00 0.00 55.73 55.60 1oft s ARG 76 Cb 0.05 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.88 1oft s ARG 76 CO 0.14 -3.32 1.11 -1.58 0.02 0.00 0.00 175.30 171.68 1oft s TRP 77 N -2.75 2.61 -0.24 -0.53 0.51 -0.91 -4.55 118.94 113.08 1oft s TRP 77 Ca 0.67 1.55 -0.01 0.00 -2.12 0.00 0.00 56.10 56.19 1oft s TRP 77 Cb -0.20 -3.17 0.03 0.00 -0.81 0.00 0.00 33.47 29.31 1oft s TRP 77 CO 0.60 -1.70 -0.09 -1.17 -0.51 0.00 0.00 176.95 174.08 1oft s LEU 78 N -4.87 3.02 -0.10 2.99 2.96 -1.15 -0.78 118.68 120.75 1oft s LEU 78 Ca 0.67 -0.85 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1oft s LEU 78 Cb -0.21 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 1oft s LEU 78 CO 0.42 -0.11 -0.18 0.42 -1.32 0.00 0.00 176.35 175.58 1oft s THR 79 N 1.31 2.63 -0.17 3.68 -4.23 -0.74 -1.79 115.64 116.32 1oft s THR 79 Ca 0.01 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 1oft s THR 79 Cb -0.16 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1oft s THR 79 CO -0.06 0.55 0.12 -0.76 -0.54 0.00 0.00 174.62 173.93 1oft s LEU 80 N 0.13 4.17 -0.22 4.79 1.43 0.24 -0.70 118.68 128.52 1oft s LEU 80 Ca -0.09 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1oft s LEU 80 Cb -0.15 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1oft s LEU 80 CO 0.06 0.24 -0.13 -0.63 0.23 0.00 0.00 176.35 176.12 1oft s ILE 81 N -0.02 1.98 -1.17 -0.59 1.01 -0.22 -1.64 121.20 120.55 1oft s ILE 81 Ca 0.09 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 1oft s ILE 81 Cb -0.11 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1oft s ILE 81 CO -0.00 0.19 0.98 0.00 0.00 0.00 0.00 174.94 176.10 1oft n ALA 82 N 4.56 -2.04 -1.68 9.38 0.00 -0.50 -4.02 120.51 126.21 1oft n ALA 82 Ca -0.16 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 1oft n ALA 82 Cb 0.46 -2.74 0.01 0.00 0.00 0.00 0.00 19.45 17.17 1oft n ALA 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1oft s PRO 83 N -5.24 3.28 0.88 0.00 0.04 -1.26 -4.63 135.00 128.07 1oft s PRO 83 Ca 0.05 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1oft s PRO 83 Cb -0.01 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.64 1oft s PRO 83 CO 0.72 -0.86 1.15 -1.25 0.04 0.00 0.00 177.00 176.80 1oft s PRO 84 N -3.73 1.28 0.36 0.56 0.04 -1.26 -4.87 135.00 127.37 1oft s PRO 84 Ca 0.67 1.56 0.14 0.00 0.04 0.00 0.00 61.00 63.42 1oft s PRO 84 Cb -0.19 -1.76 0.99 0.00 0.04 0.00 0.00 34.50 33.59 1oft s PRO 84 CO 0.32 -2.44 1.75 0.00 0.04 0.00 0.00 177.00 176.68 1oft h ALA 85 N -1.57 2.02 -0.93 8.56 0.00 -2.04 -2.20 119.26 123.09 1oft h ALA 85 Ca -0.44 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.72 1oft h ALA 85 Cb 1.27 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.91 1oft h ALA 85 CO 0.43 -0.45 -0.32 0.77 0.00 0.00 0.00 179.25 179.68 1oft h SER 86 N 0.49 -1.17 -0.04 0.00 0.02 -2.03 -3.22 113.55 107.61 1oft h SER 86 Ca 0.62 0.29 -0.45 0.00 -0.84 0.00 0.00 61.79 61.40 1oft h SER 86 Cb 1.36 0.66 0.10 0.00 0.14 0.00 0.00 62.40 64.66 1oft h SER 86 CO -0.38 -0.30 1.14 0.18 -1.14 0.00 0.00 176.83 176.34 1oft n LEU 87 N -5.52 1.47 -4.74 5.07 4.32 -0.83 -4.80 117.00 111.97 1oft n LEU 87 Ca 0.11 -1.93 -0.31 0.00 -0.02 0.00 0.00 56.01 53.87 1oft n LEU 87 Cb 0.43 -0.89 0.12 0.00 -1.62 0.00 0.00 43.42 41.45 1oft n LEU 87 CO -0.10 -2.21 0.69 -0.89 -1.22 0.00 0.00 177.39 173.65 1oft s THR 88 N 9.34 2.99 0.38 -5.08 2.01 -1.22 -4.84 115.64 119.22 1oft s THR 88 Ca 0.71 0.32 0.06 0.00 0.31 0.00 0.00 61.69 63.09 1oft s THR 88 Cb 0.10 -2.74 0.28 0.00 0.01 0.00 0.00 72.50 70.15 1oft s THR 88 CO 0.28 -0.42 2.01 -0.74 -0.69 0.00 0.00 174.62 175.06 1oft h HIS 89 N -1.35 0.66 -0.00 4.92 2.76 -1.92 -1.74 115.15 118.47 1oft h HIS 89 Ca -0.45 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 57.54 1oft h HIS 89 Cb 1.25 -0.22 0.02 0.00 1.55 0.00 0.00 27.41 30.01 1oft h HIS 89 CO 0.53 0.38 -0.76 1.49 -1.30 0.00 0.00 177.93 178.27 1oft h GLU 90 N 0.68 0.52 -0.81 5.26 4.81 -1.95 -3.26 114.58 119.84 1oft h GLU 90 Ca 0.24 -0.56 0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1oft h GLU 90 Cb 0.09 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.54 1oft h GLU 90 CO -0.06 1.19 0.41 2.35 -0.73 0.00 0.00 179.01 182.16 1oft h TRP 91 N 0.09 0.72 0.10 0.92 7.01 -1.65 0.11 115.95 123.25 1oft h TRP 91 Ca -0.09 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 1oft h TRP 91 Cb 1.45 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.31 1oft h TRP 91 CO 0.13 0.20 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.86 1oft h LEU 92 N 0.62 -0.12 -0.76 0.65 4.07 -1.49 0.80 115.31 119.08 1oft h LEU 92 Ca 0.42 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 58.21 1oft h LEU 92 Cb 0.55 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1oft h LEU 92 CO -0.33 -0.02 -0.26 0.08 -1.08 0.00 0.00 178.44 176.83 1oft h ARG 93 N -0.21 0.65 0.00 1.13 0.11 -1.48 -2.01 114.38 112.57 1oft h ARG 93 Ca -0.01 -0.27 -0.04 0.00 0.10 0.00 0.00 59.98 59.75 1oft h ARG 93 Cb 0.17 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 1oft h ARG 93 CO 0.02 0.85 -0.20 0.00 0.10 0.00 0.00 179.97 180.74 1oft h ARG 94 N 0.57 0.00 -0.03 0.08 3.08 -0.59 -0.92 114.38 116.57 1oft h ARG 94 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1oft h ARG 94 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1oft h ARG 94 CO 0.06 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.16 1oft n ALA 95 N -2.39 2.61 -1.43 0.04 0.00 0.26 -4.90 120.51 114.70 1oft n ALA 95 Ca -0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1oft n ALA 95 Cb 0.29 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 1oft n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oft n GLY 96 N 0.93 1.27 3.78 0.00 0.00 -0.35 -4.85 105.19 105.97 1oft n GLY 96 Ca 0.17 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1oft n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oft s LEU 97 N -2.99 4.13 -1.14 0.99 1.43 -1.11 -4.91 118.68 115.09 1oft s LEU 97 Ca 0.00 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.02 1oft s LEU 97 Cb 0.00 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 42.09 1oft s LEU 97 CO 0.00 -0.58 1.69 0.21 0.23 0.00 0.00 176.35 177.90 1oft s ASN 98 N -1.45 6.25 0.26 2.29 3.04 -1.26 -4.76 114.94 119.31 1oft s ASN 98 Ca 0.58 -1.77 -0.06 0.00 0.04 0.00 0.00 52.86 51.65 1oft s ASN 98 Cb -0.25 -2.58 0.49 0.00 -1.54 0.00 0.00 41.25 37.38 1oft s ASN 98 CO 0.31 -1.76 1.61 0.03 -3.04 0.00 0.00 177.10 174.25 1oft h ARG 99 N 9.11 0.05 0.00 0.43 2.47 -1.92 -0.64 114.38 123.88 1oft h ARG 99 Ca 0.29 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1oft h ARG 99 Cb 0.94 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1oft h ARG 99 CO 1.39 0.03 0.51 0.93 0.56 0.00 0.00 179.97 183.39 1oft h GLU 100 N 0.05 0.00 -0.28 0.04 5.08 -2.00 0.10 114.58 117.58 1oft h GLU 100 Ca 0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1oft h GLU 100 Cb 0.81 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1oft h GLU 100 CO -0.79 0.00 -0.00 0.54 -1.00 0.00 0.00 179.01 177.76 1oft n ARG 101 N -2.49 2.64 -4.43 2.33 1.74 -0.25 -5.01 116.66 111.20 1oft n ARG 101 Ca -0.01 -2.90 -0.30 0.00 -0.77 0.00 0.00 57.85 53.87 1oft n ARG 101 Cb 0.54 -1.83 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 1oft n ARG 101 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1oft s ILE 102 N -2.92 2.80 -0.26 0.55 1.01 0.36 -2.94 121.20 119.80 1oft s ILE 102 Ca 0.43 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1oft s ILE 102 Cb 0.35 -2.25 0.07 0.00 0.01 0.00 0.00 42.46 40.65 1oft s ILE 102 CO 0.07 0.18 -0.01 -0.22 0.00 0.00 0.00 174.94 174.96 1oft s LEU 103 N -1.91 2.80 -0.62 2.97 0.20 -0.74 -4.96 118.68 116.42 1oft s LEU 103 Ca 0.17 -1.39 -0.11 0.00 0.69 0.00 0.00 54.13 53.49 1oft s LEU 103 Cb -0.11 -1.17 0.16 0.00 -0.43 0.00 0.00 46.19 44.64 1oft s LEU 103 CO 0.08 -0.29 0.52 -0.22 -0.29 0.00 0.00 176.35 176.15 1oft s LEU 104 N 1.37 6.03 0.20 -0.68 0.20 -1.26 -0.59 118.68 123.95 1oft s LEU 104 Ca -0.00 -2.30 -0.13 0.00 0.69 0.00 0.00 54.13 52.39 1oft s LEU 104 Cb -0.19 -2.08 -0.07 0.00 -0.43 0.00 0.00 46.19 43.42 1oft s LEU 104 CO -0.10 -0.63 0.57 -0.76 -0.29 0.00 0.00 176.35 175.15 1oft s LEU 105 N 0.79 4.25 -0.00 -0.68 1.02 -0.65 -5.00 118.68 118.40 1oft s LEU 105 Ca 0.11 1.05 0.02 0.00 0.02 0.00 0.00 54.13 55.32 1oft s LEU 105 Cb -0.21 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 1oft s LEU 105 CO -0.03 0.00 -0.02 -1.58 0.02 0.00 0.00 176.35 174.75 1oft s GLN 106 N -2.39 2.73 0.07 1.70 2.00 -1.26 -1.41 119.66 121.10 1oft s GLN 106 Ca 0.43 -0.63 0.03 0.00 -2.00 0.00 0.00 55.36 53.19 1oft s GLN 106 Cb -0.13 -2.63 -0.03 0.00 0.80 0.00 0.00 33.01 31.02 1oft s GLN 106 CO 0.20 0.62 -0.09 0.00 -0.50 0.00 0.00 175.29 175.52 1oft s ALA 107 N -1.05 0.89 -0.22 1.58 0.00 -1.26 -4.86 121.76 116.84 1oft s ALA 107 Ca 0.18 -1.04 0.12 0.00 0.00 0.00 0.00 51.96 51.22 1oft s ALA 107 Cb -0.11 0.05 -0.22 0.00 0.00 0.00 0.00 23.12 22.83 1oft s ALA 107 CO 0.09 -0.05 -0.03 1.63 0.00 0.00 0.00 175.76 177.40 1oft n LYS 108 N 0.86 0.67 -4.54 0.00 5.02 -1.26 -4.90 118.16 114.01 1oft n LYS 108 Ca -0.18 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.82 1oft n LYS 108 Cb 0.57 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.94 1oft n LYS 108 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1oft s ASP 109 N -5.89 4.73 0.00 4.39 -1.08 -1.26 -4.94 116.67 112.63 1oft s ASP 109 Ca -0.19 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 1oft s ASP 109 Cb 0.07 -1.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.13 1oft s ASP 109 CO 0.74 0.30 0.52 -3.20 0.52 0.00 0.00 175.17 174.06 1oft n ASN 110 N 2.64 0.00 -0.06 -0.34 2.85 -1.26 0.85 115.26 119.94 1oft n ASN 110 Ca -0.18 0.03 -0.07 0.00 -0.11 0.00 0.00 54.58 54.25 1oft n ASN 110 Cb 0.53 -0.03 -0.08 0.00 1.24 0.00 0.00 39.78 41.44 1oft n ASN 110 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1oft n ALA 111 N -1.02 1.72 0.00 5.20 0.00 -1.26 -3.89 120.51 121.26 1oft n ALA 111 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.70 1oft n ALA 111 Cb 0.00 0.06 0.18 0.00 0.00 0.00 0.00 19.45 19.69 1oft n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oft h ALA 112 N 0.39 1.06 0.02 0.00 0.00 0.08 -1.90 119.26 118.92 1oft h ALA 112 Ca -0.31 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1oft h ALA 112 Cb 1.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1oft h ALA 112 CO -0.00 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 1oft h ALA 113 N 1.27 -0.03 -0.01 0.00 0.00 -0.59 0.15 119.26 120.05 1oft h ALA 113 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oft h ALA 113 Cb 0.69 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1oft h ALA 113 CO 0.05 -0.46 0.01 1.25 0.00 0.00 0.00 179.25 180.10 1oft h LEU 114 N -0.15 0.00 0.15 0.00 6.46 -1.60 0.93 115.31 121.11 1oft h LEU 114 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1oft h LEU 114 Cb 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1oft h LEU 114 CO 0.01 0.00 -0.07 0.00 -0.62 0.00 0.00 178.44 177.75 1oft h ALA 115 N 1.98 -0.20 -0.60 1.25 0.00 -0.37 -2.98 119.26 118.34 1oft h ALA 115 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1oft h ALA 115 Cb 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1oft h ALA 115 CO -0.00 -0.22 0.15 -0.07 0.00 0.00 0.00 179.25 179.11 1oft h LEU 116 N -1.00 0.05 -0.89 0.00 3.38 -0.22 -0.23 115.31 116.41 1oft h LEU 116 Ca -0.02 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.18 1oft h LEU 116 Cb 0.38 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1oft h LEU 116 CO 0.03 0.04 0.51 0.28 0.09 0.00 0.00 178.44 179.39 1oft h SER 117 N 0.29 0.69 -0.18 -0.43 0.02 -0.94 0.21 113.55 113.22 1oft h SER 117 Ca 0.32 0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 61.15 1oft h SER 117 Cb 0.46 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1oft h SER 117 CO -0.38 0.34 -0.57 0.00 -1.14 0.00 0.00 176.83 175.08 1oft h GLU 119 N 0.59 -0.84 -0.85 0.00 5.08 -0.22 0.12 114.58 118.46 1oft h GLU 119 Ca 0.01 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.56 1oft h GLU 119 Cb 1.16 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.45 1oft h GLU 119 CO 0.12 -0.52 -0.37 0.00 -1.00 0.00 0.00 179.01 177.24 1oft h ALA 120 N -0.76 0.09 0.43 3.43 0.00 -0.66 0.40 119.26 122.19 1oft h ALA 120 Ca -0.09 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1oft h ALA 120 Cb 0.70 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1oft h ALA 120 CO 0.15 -0.64 -0.21 -0.07 0.00 0.00 0.00 179.25 178.48 1oft h LEU 121 N -0.06 -0.49 -2.12 0.00 3.38 -1.26 -3.05 115.31 111.71 1oft h LEU 121 Ca 0.31 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.35 1oft h LEU 121 Cb 0.58 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1oft h LEU 121 CO -0.88 -0.32 0.23 -0.09 0.09 0.00 0.00 178.44 177.46 1oft h ARG 122 N -0.61 0.00 0.00 1.13 2.43 0.16 -2.04 114.38 115.45 1oft h ARG 122 Ca -0.06 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1oft h ARG 122 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1oft h ARG 122 CO 0.10 0.00 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.23 1oft h LEU 123 N 0.00 0.00 0.00 3.80 -0.00 -0.22 -3.39 115.31 115.51 1oft h LEU 123 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1oft h LEU 123 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1oft h LEU 123 CO -0.00 0.26 0.00 0.61 -0.00 0.00 0.00 178.44 179.31 1oft n GLY 124 N 0.17 0.55 1.44 0.83 0.00 -0.77 -4.95 105.19 102.47 1oft n GLY 124 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1oft n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oft n ARG 125 N -2.88 3.32 -3.90 1.61 1.74 -1.26 -4.90 116.66 110.39 1oft n ARG 125 Ca 0.00 -2.77 -0.15 0.00 -0.77 0.00 0.00 57.85 54.16 1oft n ARG 125 Cb 0.00 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 29.54 1oft n ARG 125 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1oft s SER 126 N -0.97 0.20 0.21 0.55 0.01 -1.26 -2.14 113.70 110.29 1oft s SER 126 Ca 0.49 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.80 1oft s SER 126 Cb 0.29 -0.08 0.13 0.00 0.21 0.00 0.00 66.02 66.58 1oft s SER 126 CO 0.27 -0.05 1.48 1.12 0.41 0.00 0.00 173.24 176.47 1oft h HIS 127 N 6.71 0.15 -3.76 2.43 2.07 -1.20 -3.42 115.15 118.12 1oft h HIS 127 Ca -0.35 -0.07 -0.27 0.00 -2.85 0.00 0.00 60.37 56.83 1oft h HIS 127 Cb 1.16 -0.02 -0.29 0.00 2.57 0.00 0.00 27.41 30.84 1oft h HIS 127 CO 0.46 0.82 -0.73 0.99 -3.07 0.00 0.00 177.93 176.40 1oft s THR 128 N -3.37 0.13 -0.20 6.12 2.01 -1.25 -0.44 115.64 118.64 1oft s THR 128 Ca -0.02 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1oft s THR 128 Cb 0.11 -0.13 0.05 0.00 0.01 0.00 0.00 72.50 72.54 1oft s THR 128 CO 0.80 0.05 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.00 1oft s VAL 129 N 0.05 1.54 -0.21 3.82 1.01 -0.52 -1.80 120.40 124.29 1oft s VAL 129 Ca -0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1oft s VAL 129 Cb -0.02 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1oft s VAL 129 CO -0.00 0.11 0.50 -0.69 0.00 0.00 0.00 175.10 175.01 1oft s VAL 130 N 1.43 5.11 0.19 2.92 1.01 0.12 -2.53 120.40 128.66 1oft s VAL 130 Ca -0.02 0.90 0.06 0.00 0.00 0.00 0.00 61.98 62.92 1oft s VAL 130 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1oft s VAL 130 CO -0.08 0.17 0.12 -0.44 0.00 0.00 0.00 175.10 174.87 1oft s SER 131 N 1.23 5.34 -0.39 3.32 0.01 0.80 -1.05 113.70 122.96 1oft s SER 131 Ca 0.23 -0.23 0.12 0.00 1.31 0.00 0.00 55.95 57.37 1oft s SER 131 Cb -0.15 -1.33 0.43 0.00 0.21 0.00 0.00 66.02 65.18 1oft s SER 131 CO 0.09 0.04 1.00 0.79 0.41 0.00 0.00 173.24 175.58 1oft n TRP 132 N -0.53 2.18 -3.49 2.43 7.02 -1.26 0.37 117.44 124.17 1oft n TRP 132 Ca -0.08 -3.06 -0.37 0.00 -1.02 0.00 0.00 57.50 52.97 1oft n TRP 132 Cb 0.56 -0.27 -0.08 0.00 -2.42 0.00 0.00 31.31 29.10 1oft n TRP 132 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1oft s LEU 133 N -3.27 4.18 -0.24 -0.99 1.43 -1.26 -4.96 118.68 113.56 1oft s LEU 133 Ca 0.38 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.77 1oft s LEU 133 Cb 0.42 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 44.32 1oft s LEU 133 CO -0.07 0.01 0.59 -1.83 0.23 0.00 0.00 176.35 175.28 1oft s GLU 134 N 0.99 0.60 0.96 1.70 -1.05 -1.26 -4.41 118.70 116.22 1oft s GLU 134 Ca 0.16 1.08 -0.12 0.00 -0.15 0.00 0.00 54.97 55.94 1oft s GLU 134 Cb -0.14 0.09 0.16 0.00 -0.44 0.00 0.00 34.13 33.81 1oft s GLU 134 CO 0.06 -0.15 1.11 -2.14 0.95 0.00 0.00 175.26 175.08 1oft s PRO 135 N 1.57 0.76 -0.27 -4.83 0.02 -1.26 -5.07 135.00 125.92 1oft s PRO 135 Ca -0.10 0.46 -0.04 0.00 0.02 0.00 0.00 61.00 61.34 1oft s PRO 135 Cb -0.06 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.77 1oft s PRO 135 CO -0.18 -2.49 0.12 -1.17 -0.33 0.00 0.00 177.00 172.96 1oft s LEU 136 N -6.28 0.54 0.88 -5.54 2.96 -1.26 -5.12 118.68 104.85 1oft s LEU 136 Ca 0.65 -1.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.24 1oft s LEU 136 Cb -0.17 -0.34 0.07 0.00 0.50 0.00 0.00 46.19 46.24 1oft s LEU 136 CO 0.56 -0.43 0.81 -1.54 -1.32 0.00 0.00 176.35 174.43 1oft n SER 137 N 5.25 -0.57 0.30 3.68 3.41 -1.26 -4.78 113.62 119.64 1oft n SER 137 Ca -0.06 0.45 0.19 0.00 -0.26 0.00 0.00 58.87 59.20 1oft n SER 137 Cb 0.43 -1.35 0.88 0.00 -0.26 0.00 0.00 64.21 63.91 1oft n SER 137 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1oft h ARG 138 N -1.32 0.00 0.32 4.33 2.43 -2.00 -2.18 114.38 115.97 1oft h ARG 138 Ca -0.44 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1oft h ARG 138 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1oft h ARG 138 CO 0.40 0.00 -0.16 0.00 -1.51 0.00 0.00 179.97 178.70 1oft h ALA 139 N 2.01 -0.44 -0.86 2.80 0.00 -2.00 -2.94 119.26 117.83 1oft h ALA 139 Ca 0.00 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 54.99 1oft h ALA 139 Cb 0.31 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 18.11 1oft h ALA 139 CO 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 179.25 178.79 1oft h ALA 140 N -1.00 0.86 0.37 0.00 0.00 -1.78 0.82 119.26 118.54 1oft h ALA 140 Ca -0.04 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1oft h ALA 140 Cb 0.39 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1oft h ALA 140 CO 0.07 -0.46 -0.39 0.00 0.00 0.00 0.00 179.25 178.47 1oft h ARG 141 N 0.05 -0.77 -0.99 0.00 3.08 -1.48 -0.52 114.38 113.76 1oft h ARG 141 Ca 0.48 0.05 0.25 0.00 0.07 0.00 0.00 59.98 60.83 1oft h ARG 141 Cb 0.87 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.96 1oft h ARG 141 CO -0.80 -0.51 0.57 0.87 -1.07 0.00 0.00 179.97 179.03 1oft h LYS 142 N -0.79 0.51 -0.17 0.04 1.57 -0.71 0.64 116.57 117.65 1oft h LYS 142 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1oft h LYS 142 Cb 0.72 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1oft h LYS 142 CO -0.08 0.34 0.11 1.96 -0.57 0.00 0.00 179.45 181.21 1oft h GLN 143 N 0.53 0.21 -0.54 3.15 4.20 0.09 -0.96 115.11 121.80 1oft h GLN 143 Ca 0.65 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.30 1oft h GLN 143 Cb 1.26 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 1oft h GLN 143 CO -0.50 0.14 0.18 -0.07 -0.67 0.00 0.00 178.83 177.91 1oft h LEU 144 N 0.22 0.77 -0.19 1.46 3.38 0.12 -1.54 115.31 119.53 1oft h LEU 144 Ca 0.07 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1oft h LEU 144 Cb -0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1oft h LEU 144 CO -0.02 0.77 -0.09 -1.28 0.09 0.00 0.00 178.44 177.90 1oft h SER 145 N 0.74 -0.31 -0.35 -0.43 0.87 0.45 0.22 113.55 114.73 1oft h SER 145 Ca 0.17 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1oft h SER 145 Cb 0.26 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1oft h SER 145 CO -0.01 -0.12 0.14 -0.09 -0.53 0.00 0.00 176.83 176.22 1oft h ARG 146 N -0.07 0.53 -0.91 2.24 2.43 -1.05 -1.15 114.38 116.39 1oft h ARG 146 Ca 0.10 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1oft h ARG 146 Cb 0.23 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1oft h ARG 146 CO -0.24 0.51 0.60 0.00 -1.51 0.00 0.00 179.97 179.33 1oft h ALA 147 N 0.99 1.46 -0.20 2.80 0.00 -0.92 -0.62 119.26 122.77 1oft h ALA 147 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1oft h ALA 147 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1oft h ALA 147 CO -0.01 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.72 1oft h ALA 148 N 1.49 0.27 -0.31 0.00 0.00 -0.13 -2.56 119.26 118.01 1oft h ALA 148 Ca 0.38 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1oft h ALA 148 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1oft h ALA 148 CO -0.13 -0.10 -0.23 1.96 0.00 0.00 0.00 179.25 180.75 1oft h GLN 149 N 0.15 0.60 -0.11 0.00 4.20 -0.66 0.22 115.11 119.52 1oft h GLN 149 Ca 0.06 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1oft h GLN 149 Cb 0.25 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1oft h GLN 149 CO -0.00 0.78 0.06 -0.07 -0.67 0.00 0.00 178.83 178.94 1oft h LEU 150 N 0.53 0.13 -0.13 1.46 3.38 -1.03 -2.34 115.31 117.31 1oft h LEU 150 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1oft h LEU 150 Cb 0.68 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1oft h LEU 150 CO 0.05 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1oft n GLY 151 N -1.00 -0.84 3.71 0.83 0.00 -0.98 -4.88 105.19 102.02 1oft n GLY 151 Ca -0.05 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1oft n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1oft n GLN 152 N -0.55 -4.17 -4.05 1.61 6.02 -0.73 -4.36 117.38 111.14 1oft n GLN 152 Ca 0.09 0.59 -0.20 0.00 -0.01 0.00 0.00 57.00 57.47 1oft n GLN 152 Cb 0.07 -5.01 -0.07 0.00 1.02 0.00 0.00 30.24 26.25 1oft n GLN 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1oft n ALA 153 N -4.22 0.57 -2.69 -1.58 0.00 0.71 -4.86 120.51 108.43 1oft n ALA 153 Ca -0.27 -1.78 -0.32 0.00 0.00 0.00 0.00 53.44 51.07 1oft n ALA 153 Cb 0.67 1.31 -0.15 0.00 0.00 0.00 0.00 19.45 21.28 1oft n ALA 153 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oft s GLN 154 N -3.29 2.66 -0.23 0.00 -1.52 0.42 -4.34 119.66 113.36 1oft s GLN 154 Ca 0.26 -0.80 -0.07 0.00 -1.95 0.00 0.00 55.36 52.80 1oft s GLN 154 Cb 0.01 -2.31 -0.03 0.00 -0.22 0.00 0.00 33.01 30.46 1oft s GLN 154 CO 0.18 0.44 0.07 0.45 -0.25 0.00 0.00 175.29 176.18 1oft s SER 155 N -0.28 5.34 -0.15 5.90 0.15 0.61 -1.44 113.70 123.82 1oft s SER 155 Ca 0.01 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.56 1oft s SER 155 Cb -0.13 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 1oft s SER 155 CO 0.03 0.04 -0.15 -0.22 1.20 0.00 0.00 173.24 174.13 1oft s LEU 156 N 1.19 1.76 -0.16 3.45 2.96 -1.05 -1.57 118.68 125.27 1oft s LEU 156 Ca 0.05 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1oft s LEU 156 Cb -0.14 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1oft s LEU 156 CO 0.03 -0.04 -0.03 0.21 -1.32 0.00 0.00 176.35 175.20 1oft s ASN 157 N 1.41 4.82 -0.21 3.68 2.47 -0.28 -0.14 114.94 126.68 1oft s ASN 157 Ca 0.04 -0.12 -0.04 0.00 0.42 0.00 0.00 52.86 53.16 1oft s ASN 157 Cb -0.13 -1.79 -0.01 0.00 -1.45 0.00 0.00 41.25 37.87 1oft s ASN 157 CO -0.10 0.17 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.78 1oft s ILE 158 N 0.36 3.44 -0.69 -5.21 1.01 0.16 -0.47 121.20 119.80 1oft s ILE 158 Ca -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 1oft s ILE 158 Cb -0.14 -2.56 0.18 0.00 0.01 0.00 0.00 42.46 39.95 1oft s ILE 158 CO 0.03 0.43 0.59 -0.13 0.00 0.00 0.00 174.94 175.86 1oft s ARG 159 N 1.36 3.09 0.55 2.79 0.52 0.09 -4.28 118.95 123.08 1oft s ARG 159 Ca 0.04 -2.32 -0.17 0.00 -0.52 0.00 0.00 55.73 52.77 1oft s ARG 159 Cb -0.14 -4.15 -0.06 0.00 0.52 0.00 0.00 34.95 31.12 1oft s ARG 159 CO -0.02 -1.25 1.03 -0.51 0.02 0.00 0.00 175.30 174.57 1oft s LEU 160 N 0.39 3.59 0.00 2.53 1.43 -1.26 -2.09 118.68 123.26 1oft s LEU 160 Ca 0.15 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1oft s LEU 160 Cb -0.17 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.52 1oft s LEU 160 CO -0.05 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.24