#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 3.82 -0.68 0.55 0.00 -1.26 -4.22 121.76 119.97 1oft s ALA 44 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1oft s ALA 44 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1oft s ALA 44 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 175.76 176.23 1oft n ALA 45 N -0.55 -0.10 -2.61 0.00 0.00 -1.26 -4.54 120.51 111.45 1oft n ALA 45 Ca -0.04 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1oft n ALA 45 Cb 0.53 -1.49 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.45 1.39 -0.04 0.00 5.36 -1.26 0.30 117.98 122.27 1oft s PHE 46 Ca 0.00 -0.37 -0.29 0.00 -0.96 0.00 0.00 56.93 55.31 1oft s PHE 46 Cb 0.00 -0.82 0.07 0.00 -0.34 0.00 0.00 43.02 41.93 1oft s PHE 46 CO 0.00 0.06 0.64 -1.54 -1.46 0.00 0.00 175.22 172.92 1oft s SER 47 N -1.21 -0.61 -0.03 6.13 1.04 -0.75 -4.72 113.70 113.54 1oft s SER 47 Ca 0.03 0.65 0.04 0.00 0.48 0.00 0.00 55.95 57.15 1oft s SER 47 Cb -0.08 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1oft s SER 47 CO 0.02 -0.60 -0.16 -0.70 0.98 0.00 0.00 173.24 172.77 1oft s GLU 48 N -1.26 1.55 -0.15 4.02 2.12 -1.26 -1.15 118.70 122.56 1oft s GLU 48 Ca -0.11 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1oft s GLU 48 Cb -0.00 -1.40 0.01 0.00 0.26 0.00 0.00 34.13 32.99 1oft s GLU 48 CO 0.09 0.26 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.71 1oft s LEU 49 N -0.08 2.26 -0.09 2.70 0.20 0.51 -4.95 118.68 119.23 1oft s LEU 49 Ca -0.01 -0.56 0.02 0.00 0.69 0.00 0.00 54.13 54.28 1oft s LEU 49 Cb -0.10 -1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 1oft s LEU 49 CO 0.01 0.07 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.54 1oft s SER 50 N 0.89 3.80 -0.14 3.68 0.01 -1.26 -0.78 113.70 119.90 1oft s SER 50 Ca -0.05 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 56.88 1oft s SER 50 Cb -0.15 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 64.85 1oft s SER 50 CO -0.03 0.23 -0.10 -0.76 0.41 0.00 0.00 173.24 172.99 1oft s LEU 51 N -0.05 1.48 -0.02 2.44 1.43 -0.97 -4.97 118.68 118.01 1oft s LEU 51 Ca -0.04 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1oft s LEU 51 Cb -0.14 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 1oft s LEU 51 CO 0.04 -0.10 -0.18 -0.94 0.23 0.00 0.00 176.35 175.40 1oft s SER 52 N 1.60 2.18 0.00 2.29 1.04 -1.26 -1.76 113.70 117.79 1oft s SER 52 Ca 0.04 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1oft s SER 52 Cb -0.13 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1oft s SER 52 CO -0.09 0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1oft n GLY 53 N 2.75 0.74 3.62 7.32 0.00 -1.26 -4.97 105.19 113.39 1oft n GLY 53 Ca -0.16 -1.84 -0.58 0.00 0.00 0.00 0.00 46.02 43.45 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 1.36 -0.34 0.99 7.99 -1.26 -4.74 117.00 120.99 1oft n LEU 54 Ca 0.00 1.13 0.23 0.00 -0.01 0.00 0.00 56.01 57.36 1oft n LEU 54 Cb 0.00 -1.06 0.49 0.00 -0.11 0.00 0.00 43.42 42.74 1oft n LEU 54 CO 0.00 -1.07 1.20 1.55 -1.51 0.00 0.00 177.39 177.56 1oft h PRO 55 N 4.91 0.40 0.11 3.23 0.13 -1.98 -0.17 132.00 138.62 1oft h PRO 55 Ca -0.48 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1oft h PRO 55 Cb 1.36 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1oft h PRO 55 CO 0.82 0.26 -0.05 0.78 -0.23 0.00 0.00 178.00 179.59 1oft h GLY 56 N 0.41 -0.15 2.00 1.56 0.00 -2.01 -2.89 103.07 101.99 1oft h GLY 56 Ca 0.63 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 1oft h GLY 56 CO -0.36 -0.05 -0.04 0.84 0.00 0.00 0.00 176.54 176.93 1oft h HIS 57 N -0.48 0.00 -0.60 5.60 6.17 -1.44 -1.09 115.15 123.31 1oft h HIS 57 Ca -0.01 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 60.98 1oft h HIS 57 Cb 0.39 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 1oft h HIS 57 CO 0.03 0.04 0.06 0.00 0.71 0.00 0.00 177.93 178.77 1oft h LEU 59 N 0.93 1.01 -0.03 0.00 3.38 -1.01 -1.61 115.31 117.97 1oft h LEU 59 Ca 0.18 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1oft h LEU 59 Cb 0.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1oft h LEU 59 CO 0.02 0.96 -0.03 0.74 0.09 0.00 0.00 178.44 180.22 1oft h THR 60 N 1.02 0.90 0.00 0.22 2.02 -1.05 -0.80 112.91 115.22 1oft h THR 60 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1oft h THR 60 Cb 0.34 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1oft h THR 60 CO -0.00 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.77 1oft h LEU 61 N -0.04 0.00 0.08 2.58 4.07 -0.93 -2.90 115.31 118.16 1oft h LEU 61 Ca 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.86 1oft h LEU 61 Cb 0.08 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.84 1oft h LEU 61 CO -0.06 0.05 -0.54 0.25 -1.08 0.00 0.00 178.44 177.06 1oft h LEU 62 N 0.00 0.34 -0.66 1.67 6.46 -0.39 -3.39 115.31 119.35 1oft h LEU 62 Ca -0.00 -0.92 0.06 0.00 -0.12 0.00 0.00 57.88 56.90 1oft h LEU 62 Cb 0.13 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 39.87 1oft h LEU 62 CO 0.01 1.23 -0.39 0.00 -0.62 0.00 0.00 178.44 178.67 1oft n ALA 63 N -2.63 -0.42 -0.35 1.25 0.00 -0.39 -0.16 120.51 117.81 1oft n ALA 63 Ca -0.12 0.56 0.25 0.00 0.00 0.00 0.00 53.44 54.13 1oft n ALA 63 Cb 0.69 0.02 0.52 0.00 0.00 0.00 0.00 19.45 20.69 1oft n ALA 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1oft h PRO 64 N 0.00 0.33 -0.01 0.00 0.13 -1.75 0.29 132.00 130.98 1oft h PRO 64 Ca 0.10 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1oft h PRO 64 Cb 0.27 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1oft h PRO 64 CO -0.62 0.22 -0.01 0.82 -0.23 0.00 0.00 178.00 178.18 1oft h ILE 65 N 0.34 1.41 -0.74 -3.56 2.04 -0.75 -0.47 117.51 115.78 1oft h ILE 65 Ca 0.66 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1oft h ILE 65 Cb 1.72 2.23 -0.05 0.00 -0.74 0.00 0.00 36.82 39.98 1oft h ILE 65 CO -0.37 0.32 0.47 -0.07 0.00 0.00 0.00 178.15 178.50 1oft h LEU 66 N -0.48 0.77 -0.42 1.44 3.38 -0.29 -1.94 115.31 117.76 1oft h LEU 66 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1oft h LEU 66 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1oft h LEU 66 CO 0.00 0.53 0.20 -0.09 0.09 0.00 0.00 178.44 179.18 1oft h ARG 67 N 0.91 0.60 -0.65 1.13 2.43 -0.49 -2.04 114.38 116.28 1oft h ARG 67 Ca 0.29 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1oft h ARG 67 Cb 0.01 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1oft h ARG 67 CO -0.11 0.52 0.43 1.49 -1.51 0.00 0.00 179.97 180.79 1oft h GLU 68 N 0.54 0.83 -0.11 0.20 4.57 -0.55 -2.17 114.58 117.89 1oft h GLU 68 Ca 0.14 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 58.08 1oft h GLU 68 Cb 0.11 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1oft h GLU 68 CO -0.02 0.55 -0.69 -0.07 -1.18 0.00 0.00 179.01 177.60 1oft h LEU 69 N 0.86 0.79 0.09 1.64 3.38 -1.14 -3.28 115.31 117.65 1oft h LEU 69 Ca 0.24 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1oft h LEU 69 Cb -0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1oft h LEU 69 CO -0.06 1.33 -0.04 0.77 0.09 0.00 0.00 178.44 180.53 1oft h SER 70 N 0.32 -0.10 -0.15 -0.43 4.64 -1.10 -2.87 113.55 113.86 1oft h SER 70 Ca -0.06 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 60.85 1oft h SER 70 Cb 1.34 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 1oft h SER 70 CO 0.14 0.29 0.11 -1.84 -0.87 0.00 0.00 176.83 174.66 1oft n GLU 71 N -4.96 1.20 -1.80 4.77 0.28 -0.84 -4.88 120.64 114.42 1oft n GLU 71 Ca -0.08 -0.45 -0.30 0.00 -0.16 0.00 0.00 57.16 56.16 1oft n GLU 71 Cb 0.22 -1.18 0.20 0.00 1.43 0.00 0.00 31.44 32.11 1oft n GLU 71 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1oft s GLU 72 N -0.51 0.31 0.39 3.44 2.12 -1.09 -4.99 118.70 118.38 1oft s GLU 72 Ca 0.09 -0.37 0.21 0.00 0.36 0.00 0.00 54.97 55.26 1oft s GLU 72 Cb 0.07 -1.80 0.57 0.00 0.26 0.00 0.00 34.13 33.23 1oft s GLU 72 CO 0.01 -2.64 1.68 0.37 -0.54 0.00 0.00 175.26 174.13 1oft h GLN 73 N -1.81 0.00 -7.08 4.30 5.75 -1.89 -3.46 115.11 110.92 1oft h GLN 73 Ca -0.44 0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.52 1oft h GLN 73 Cb 1.24 0.00 0.12 0.00 1.07 0.00 0.00 27.48 29.91 1oft h GLN 73 CO 0.37 0.27 0.50 0.34 -2.65 0.00 0.00 178.83 177.66 1oft s ASP 74 N -6.25 5.17 0.04 -0.69 3.68 -1.26 -4.92 116.67 112.44 1oft s ASP 74 Ca 0.03 2.49 0.25 0.00 2.13 0.00 0.00 52.55 57.45 1oft s ASP 74 Cb 0.08 -2.61 0.48 0.00 -1.45 0.00 0.00 42.92 39.42 1oft s ASP 74 CO 0.67 -1.61 1.40 0.00 0.13 0.00 0.00 175.17 175.76 1oft n ALA 75 N -1.46 3.24 -1.94 3.66 0.00 -1.26 -4.91 120.51 117.84 1oft n ALA 75 Ca 0.13 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 1oft n ALA 75 Cb 0.48 -1.16 0.16 0.00 0.00 0.00 0.00 19.45 18.94 1oft n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1oft s ARG 76 N -3.07 0.94 0.35 0.00 0.52 -1.26 -5.08 118.95 111.35 1oft s ARG 76 Ca 0.09 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1oft s ARG 76 Cb 0.16 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.66 1oft s ARG 76 CO 0.70 -2.17 0.53 -1.58 0.02 0.00 0.00 175.30 172.80 1oft s TRP 77 N -3.72 3.31 -0.36 -0.53 0.51 -1.15 -4.67 118.94 112.32 1oft s TRP 77 Ca 0.72 0.10 -0.05 0.00 -2.12 0.00 0.00 56.10 54.75 1oft s TRP 77 Cb -0.05 -1.98 0.07 0.00 -0.81 0.00 0.00 33.47 30.71 1oft s TRP 77 CO 0.51 0.01 0.13 -1.17 -0.51 0.00 0.00 176.95 175.92 1oft s LEU 78 N -4.28 4.62 -0.10 2.99 2.96 -1.25 -0.68 118.68 122.93 1oft s LEU 78 Ca 0.42 -1.49 -0.04 0.00 -0.22 0.00 0.00 54.13 52.81 1oft s LEU 78 Cb -0.10 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1oft s LEU 78 CO 0.34 -0.41 0.05 0.42 -1.32 0.00 0.00 176.35 175.44 1oft s THR 79 N 1.29 4.76 -0.10 3.68 -4.23 -0.79 -2.38 115.64 117.87 1oft s THR 79 Ca 0.01 -0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.42 1oft s THR 79 Cb -0.21 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 1oft s THR 79 CO -0.00 0.61 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.92 1oft s LEU 80 N -0.91 3.50 -0.17 4.79 1.43 0.06 -1.29 118.68 126.09 1oft s LEU 80 Ca 0.14 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1oft s LEU 80 Cb -0.12 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1oft s LEU 80 CO 0.03 0.33 -0.14 -0.63 0.23 0.00 0.00 176.35 176.16 1oft s ILE 81 N -0.58 1.70 -1.28 -0.59 1.01 -0.16 -1.80 121.20 119.50 1oft s ILE 81 Ca 0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1oft s ILE 81 Cb -0.12 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1oft s ILE 81 CO 0.02 0.39 0.92 0.00 0.00 0.00 0.00 174.94 176.27 1oft n ALA 82 N 4.71 -1.89 -1.45 9.38 0.00 -0.58 -4.10 120.51 126.58 1oft n ALA 82 Ca -0.17 -0.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 1oft n ALA 82 Cb 0.49 -2.75 0.06 0.00 0.00 0.00 0.00 19.45 17.25 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 -5.77 2.65 0.89 0.00 0.04 -1.26 -4.66 135.00 126.89 1oft s PRO 83 Ca 0.11 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 1oft s PRO 83 Cb -0.05 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.69 1oft s PRO 83 CO 0.77 -1.36 1.12 -1.25 0.04 0.00 0.00 177.00 176.31 1oft s PRO 84 N -4.25 1.22 0.29 0.56 0.04 -1.26 -4.90 135.00 126.70 1oft s PRO 84 Ca 0.66 1.36 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1oft s PRO 84 Cb -0.20 -1.76 0.73 0.00 0.04 0.00 0.00 34.50 33.31 1oft s PRO 84 CO 0.45 -2.43 1.72 0.00 0.04 0.00 0.00 177.00 176.78 1oft h ALA 85 N -1.72 1.51 -0.88 8.56 0.00 -2.04 -2.38 119.26 122.31 1oft h ALA 85 Ca -0.45 0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.76 1oft h ALA 85 Cb 1.26 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.96 1oft h ALA 85 CO 0.45 -0.26 -0.26 0.43 0.00 0.00 0.00 179.25 179.62 1oft n SER 86 N -4.95 -0.40 -4.09 0.00 7.64 -1.26 -3.38 113.62 107.18 1oft n SER 86 Ca 0.22 1.52 -0.32 0.00 1.01 0.00 0.00 58.87 61.30 1oft n SER 86 Cb 0.63 -0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 63.32 1oft n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1oft n LEU 87 N -5.38 2.15 -4.73 -3.43 4.32 -0.90 -4.80 117.00 104.23 1oft n LEU 87 Ca 0.12 -2.44 -0.30 0.00 -0.02 0.00 0.00 56.01 53.37 1oft n LEU 87 Cb 0.41 -1.27 0.13 0.00 -1.62 0.00 0.00 43.42 41.07 1oft n LEU 87 CO -0.11 -2.17 0.68 -0.89 -1.22 0.00 0.00 177.39 173.68 1oft s THR 88 N 10.73 2.80 0.33 -5.08 2.01 -1.22 -4.84 115.64 120.37 1oft s THR 88 Ca 0.71 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.97 1oft s THR 88 Cb 0.05 -2.76 0.26 0.00 0.01 0.00 0.00 72.50 70.06 1oft s THR 88 CO 0.21 -0.34 1.99 -0.74 -0.69 0.00 0.00 174.62 175.05 1oft h HIS 89 N -1.45 0.89 -0.07 4.92 2.76 -1.92 -1.87 115.15 118.41 1oft h HIS 89 Ca -0.48 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 57.61 1oft h HIS 89 Cb 1.27 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1oft h HIS 89 CO 0.45 0.56 -0.34 1.49 -1.30 0.00 0.00 177.93 178.80 1oft h GLU 90 N 0.95 0.35 -0.83 5.26 4.81 -1.96 -3.23 114.58 119.94 1oft h GLU 90 Ca 0.26 -0.29 0.17 0.00 -0.13 0.00 0.00 59.36 59.37 1oft h GLU 90 Cb -0.10 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.24 1oft h GLU 90 CO -0.05 0.93 0.37 2.35 -0.73 0.00 0.00 179.01 181.88 1oft h TRP 91 N -0.14 0.63 0.12 0.92 7.01 -1.72 0.27 115.95 123.04 1oft h TRP 91 Ca -0.02 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1oft h TRP 91 Cb 1.00 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.90 1oft h TRP 91 CO 0.13 0.07 -0.06 -0.07 -2.79 0.00 0.00 178.44 175.72 1oft h LEU 92 N 0.49 -0.13 -0.63 0.65 4.07 -1.40 0.32 115.31 118.67 1oft h LEU 92 Ca 0.47 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 58.28 1oft h LEU 92 Cb 0.76 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1oft h LEU 92 CO -0.43 -0.09 -0.62 0.08 -1.08 0.00 0.00 178.44 176.30 1oft h ARG 93 N -0.17 0.23 -0.07 1.13 0.11 -1.39 0.61 114.38 114.83 1oft h ARG 93 Ca -0.02 -0.16 -0.07 0.00 0.10 0.00 0.00 59.98 59.83 1oft h ARG 93 Cb 0.13 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 1oft h ARG 93 CO 0.03 0.78 -0.30 0.00 0.10 0.00 0.00 179.97 180.58 1oft h ARG 94 N 0.17 0.14 0.00 0.08 3.08 -0.35 0.26 114.38 117.76 1oft h ARG 94 Ca -0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1oft h ARG 94 Cb 1.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1oft h ARG 94 CO 0.10 0.43 -0.24 0.00 -1.07 0.00 0.00 179.97 179.19 1oft h ALA 95 N 1.58 0.96 -0.77 0.04 0.00 0.34 -3.47 119.26 117.94 1oft h ALA 95 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1oft h ALA 95 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1oft h ALA 95 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1oft n GLY 96 N 0.39 0.51 3.72 0.00 0.00 0.08 -4.96 105.19 104.93 1oft n GLY 96 Ca 0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1oft n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oft n LEU 97 N -0.39 5.21 0.00 0.99 4.77 -0.10 -4.81 117.00 122.68 1oft n LEU 97 Ca 0.00 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1oft n LEU 97 Cb 0.20 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 39.76 1oft n LEU 97 CO 0.00 -0.78 0.34 -3.20 -1.33 0.00 0.00 177.39 172.41 1oft n ASN 98 N -0.94 0.00 0.00 -1.43 4.05 -1.26 -4.74 115.26 110.94 1oft n ASN 98 Ca 0.11 -1.26 0.00 0.00 0.45 0.00 0.00 54.58 53.88 1oft n ASN 98 Cb 0.45 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.46 1oft n ASN 98 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1oft n ARG 99 N -0.52 0.00 0.27 1.20 1.85 -1.26 -1.14 116.66 117.06 1oft n ARG 99 Ca 0.01 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.99 1oft n ARG 99 Cb 0.00 0.00 0.75 0.00 -1.05 0.00 0.00 32.46 32.16 1oft n ARG 99 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1oft h GLU 100 N 0.00 0.00 -1.92 2.89 5.08 -2.02 -3.27 114.58 115.34 1oft h GLU 100 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1oft h GLU 100 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 1oft h GLU 100 CO 0.00 0.10 -0.81 0.54 -1.00 0.00 0.00 179.01 177.84 1oft n ARG 101 N -3.52 2.69 -3.24 2.33 1.74 -0.29 -4.95 116.66 111.43 1oft n ARG 101 Ca -0.02 -4.36 -0.03 0.00 -0.77 0.00 0.00 57.85 52.67 1oft n ARG 101 Cb 0.24 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 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 -4.26 -0.81 0.21 0.55 1.01 -1.23 -3.86 121.20 112.81 1oft s ILE 102 Ca 0.45 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 1oft s ILE 102 Cb 0.34 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.77 1oft s ILE 102 CO -0.13 -0.12 0.53 -0.76 0.00 0.00 0.00 174.94 174.46 1oft s LEU 103 N 2.69 4.20 -0.31 2.97 1.43 -1.00 -4.91 118.68 123.75 1oft s LEU 103 Ca 0.12 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1oft s LEU 103 Cb -0.12 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.62 1oft s LEU 103 CO -0.25 -0.03 0.12 -0.22 0.23 0.00 0.00 176.35 176.20 1oft s LEU 104 N -2.68 1.41 0.25 1.79 0.20 -1.26 -0.76 118.68 117.63 1oft s LEU 104 Ca 0.45 -1.53 -0.08 0.00 0.69 0.00 0.00 54.13 53.66 1oft s LEU 104 Cb -0.12 -0.61 -0.07 0.00 -0.43 0.00 0.00 46.19 44.97 1oft s LEU 104 CO 0.21 -0.42 0.55 -0.76 -0.29 0.00 0.00 176.35 175.65 1oft s LEU 105 N 1.78 4.13 0.01 -0.68 1.02 -0.74 -5.00 118.68 119.19 1oft s LEU 105 Ca 0.10 0.86 0.04 0.00 0.02 0.00 0.00 54.13 55.15 1oft s LEU 105 Cb -0.17 -3.64 -0.03 0.00 0.02 0.00 0.00 46.19 42.37 1oft s LEU 105 CO -0.29 -0.12 -0.11 -1.58 0.02 0.00 0.00 176.35 174.28 1oft s GLN 106 N -3.06 2.40 0.06 1.70 2.00 -1.26 -1.53 119.66 119.97 1oft s GLN 106 Ca 0.46 -0.80 0.03 0.00 -2.00 0.00 0.00 55.36 53.06 1oft s GLN 106 Cb -0.11 -2.39 -0.03 0.00 0.80 0.00 0.00 33.01 31.28 1oft s GLN 106 CO 0.24 0.58 -0.10 0.00 -0.50 0.00 0.00 175.29 175.52 1oft s ALA 107 N -0.95 0.82 -0.16 1.58 0.00 -1.26 -4.85 121.76 116.93 1oft s ALA 107 Ca 0.16 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1oft s ALA 107 Cb -0.11 0.01 -0.23 0.00 0.00 0.00 0.00 23.12 22.79 1oft s ALA 107 CO 0.06 0.02 0.18 1.63 0.00 0.00 0.00 175.76 177.66 1oft n LYS 108 N 1.25 0.69 -4.54 0.00 5.02 -1.26 -4.89 118.16 114.42 1oft n LYS 108 Ca -0.21 0.18 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 1oft n LYS 108 Cb 0.55 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 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 -6.37 4.80 0.00 4.39 -1.08 -1.26 -4.94 116.67 112.21 1oft s ASP 109 Ca -0.20 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 1oft s ASP 109 Cb 0.07 -1.31 0.00 0.00 -1.46 0.00 0.00 42.92 40.22 1oft s ASP 109 CO 0.74 0.34 0.68 -3.20 0.52 0.00 0.00 175.17 174.26 1oft n ASN 110 N 2.35 0.00 -0.09 -0.34 2.85 -1.26 0.03 115.26 118.81 1oft n ASN 110 Ca -0.18 0.18 -0.11 0.00 -0.11 0.00 0.00 54.58 54.35 1oft n ASN 110 Cb 0.53 -0.18 -0.11 0.00 1.24 0.00 0.00 39.78 41.27 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 -1.18 1.59 0.03 5.20 0.00 -1.26 -3.80 120.51 121.09 1oft n ALA 111 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 53.44 52.48 1oft n ALA 111 Cb 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 19.45 19.65 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 0.33 1.12 -0.26 0.00 0.00 -0.78 -2.20 119.26 117.46 1oft h ALA 112 Ca -0.44 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1oft h ALA 112 Cb 1.81 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1oft h ALA 112 CO -0.03 0.55 0.10 0.00 0.00 0.00 0.00 179.25 179.87 1oft h ALA 113 N 1.33 0.34 0.00 0.00 0.00 -0.81 0.83 119.26 120.95 1oft h ALA 113 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1oft h ALA 113 Cb 0.67 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1oft h ALA 113 CO 0.05 -0.06 -0.05 1.25 0.00 0.00 0.00 179.25 180.45 1oft h LEU 114 N 0.27 0.00 0.12 0.00 6.46 -1.59 0.14 115.31 120.71 1oft h LEU 114 Ca 0.09 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1oft h LEU 114 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1oft h LEU 114 CO -0.01 0.05 -0.06 0.00 -0.62 0.00 0.00 178.44 177.80 1oft h ALA 115 N 1.95 -0.16 -0.37 1.25 0.00 -0.62 -2.97 119.26 118.34 1oft h ALA 115 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1oft h ALA 115 Cb 0.18 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1oft h ALA 115 CO 0.01 -0.18 -0.11 -0.07 0.00 0.00 0.00 179.25 178.90 1oft h LEU 116 N -0.99 -0.40 -1.15 0.00 3.38 -0.66 -0.65 115.31 114.84 1oft h LEU 116 Ca -0.02 0.12 0.21 0.00 0.09 0.00 0.00 57.88 58.28 1oft h LEU 116 Cb 0.39 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1oft h LEU 116 CO 0.03 -0.14 0.62 0.28 0.09 0.00 0.00 178.44 179.31 1oft h SER 117 N -0.03 0.66 -0.10 -0.43 0.02 -1.08 0.29 113.55 112.89 1oft h SER 117 Ca 0.18 0.09 -0.24 0.00 -0.84 0.00 0.00 61.79 60.98 1oft h SER 117 Cb 0.30 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.83 1oft h SER 117 CO -0.40 0.21 -0.87 0.00 -1.14 0.00 0.00 176.83 174.64 1oft h GLU 119 N 0.48 -0.60 -0.70 0.00 5.08 0.11 0.01 114.58 118.95 1oft h GLU 119 Ca -0.08 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1oft h GLU 119 Cb 1.51 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.77 1oft h GLU 119 CO 0.18 -0.38 -0.29 0.00 -1.00 0.00 0.00 179.01 177.52 1oft h ALA 120 N -0.15 0.18 0.30 3.43 0.00 -0.57 -0.61 119.26 121.84 1oft h ALA 120 Ca -0.06 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1oft h ALA 120 Cb 0.50 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1oft h ALA 120 CO 0.11 -0.57 -0.14 -0.07 0.00 0.00 0.00 179.25 178.57 1oft h LEU 121 N -0.08 -0.34 -0.21 0.00 3.38 -1.25 -3.03 115.31 113.78 1oft h LEU 121 Ca 0.29 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.27 1oft h LEU 121 Cb 0.56 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1oft h LEU 121 CO -0.75 -0.16 -0.28 -0.09 0.09 0.00 0.00 178.44 177.25 1oft h ARG 122 N -0.50 -0.29 0.00 1.13 2.43 -0.18 0.15 114.38 117.11 1oft h ARG 122 Ca -0.04 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1oft h ARG 122 Cb 0.38 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1oft h ARG 122 CO 0.07 -0.20 0.00 1.37 -1.51 0.00 0.00 179.97 179.70 1oft h LEU 123 N -0.30 0.00 -1.22 3.80 -0.00 -1.18 -3.16 115.31 113.24 1oft h LEU 123 Ca 0.12 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.48 1oft h LEU 123 Cb 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.03 1oft h LEU 123 CO -0.39 0.00 -0.82 0.61 -0.00 0.00 0.00 178.44 177.84 1oft n GLY 124 N -1.04 -0.42 1.36 0.17 0.00 0.53 -4.84 105.19 100.95 1oft n GLY 124 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.47 3.79 -3.99 1.61 1.74 -1.26 -4.85 116.66 109.23 1oft n ARG 125 Ca -0.01 -2.92 -0.17 0.00 -0.77 0.00 0.00 57.85 53.99 1oft n ARG 125 Cb 0.54 -1.97 -0.16 0.00 -1.02 0.00 0.00 32.46 29.85 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 -1.28 0.49 0.37 0.55 0.01 -1.26 -2.95 113.70 109.63 1oft s SER 126 Ca 0.47 -0.05 0.20 0.00 1.31 0.00 0.00 55.95 57.88 1oft s SER 126 Cb 0.35 -0.23 0.36 0.00 0.21 0.00 0.00 66.02 66.71 1oft s SER 126 CO 0.15 -0.07 1.59 1.12 0.41 0.00 0.00 173.24 176.43 1oft h HIS 127 N 7.07 0.00 -3.01 2.43 2.07 -1.18 -3.42 115.15 119.11 1oft h HIS 127 Ca -0.40 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 56.95 1oft h HIS 127 Cb 1.14 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 30.85 1oft h HIS 127 CO 0.49 0.29 -0.42 0.99 -3.07 0.00 0.00 177.93 176.21 1oft s THR 128 N -3.20 -0.02 -0.15 6.12 2.01 -1.22 -1.58 115.64 117.60 1oft s THR 128 Ca 0.04 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1oft s THR 128 Cb 0.07 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1oft s THR 128 CO 0.70 0.03 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.80 1oft s VAL 129 N 0.75 1.75 -0.26 3.82 1.01 -0.73 -1.88 120.40 124.86 1oft s VAL 129 Ca -0.05 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1oft s VAL 129 Cb -0.06 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1oft s VAL 129 CO -0.05 0.49 0.16 -0.69 0.00 0.00 0.00 175.10 175.01 1oft s VAL 130 N 1.30 5.21 0.19 2.92 1.01 -0.41 -2.28 120.40 128.34 1oft s VAL 130 Ca 0.02 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1oft s VAL 130 Cb -0.13 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1oft s VAL 130 CO -0.09 0.30 0.14 -0.44 0.00 0.00 0.00 175.10 175.01 1oft s SER 131 N 1.41 5.47 -0.43 3.32 0.01 0.18 -0.99 113.70 122.67 1oft s SER 131 Ca 0.07 -0.18 0.10 0.00 1.31 0.00 0.00 55.95 57.25 1oft s SER 131 Cb -0.15 -1.40 0.38 0.00 0.21 0.00 0.00 66.02 65.06 1oft s SER 131 CO 0.07 0.04 0.88 0.79 0.41 0.00 0.00 173.24 175.43 1oft n TRP 132 N -0.57 1.79 -3.77 2.43 7.02 -1.26 0.29 117.44 123.38 1oft n TRP 132 Ca -0.08 -3.59 -0.36 0.00 -1.02 0.00 0.00 57.50 52.45 1oft n TRP 132 Cb 0.56 -0.39 -0.09 0.00 -2.42 0.00 0.00 31.31 28.96 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 -2.97 4.04 -0.26 -0.99 1.43 -1.26 -4.97 118.68 113.70 1oft s LEU 133 Ca 0.41 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 1oft s LEU 133 Cb 0.36 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.60 1oft s LEU 133 CO -0.09 0.12 0.64 -1.83 0.23 0.00 0.00 176.35 175.43 1oft s GLU 134 N 0.69 0.65 1.04 1.70 -1.05 -1.26 -4.41 118.70 116.06 1oft s GLU 134 Ca 0.07 1.16 -0.15 0.00 -0.15 0.00 0.00 54.97 55.90 1oft s GLU 134 Cb -0.12 0.13 0.21 0.00 -0.44 0.00 0.00 34.13 33.91 1oft s GLU 134 CO 0.01 -0.15 1.13 -2.14 0.95 0.00 0.00 175.26 175.06 1oft s PRO 135 N 1.64 0.06 -0.28 -4.83 0.02 -1.26 -5.07 135.00 125.27 1oft s PRO 135 Ca -0.10 0.20 -0.03 0.00 0.02 0.00 0.00 61.00 61.09 1oft s PRO 135 Cb -0.06 -1.72 0.11 0.00 0.02 0.00 0.00 34.50 32.85 1oft s PRO 135 CO -0.19 -2.91 0.19 -1.17 -0.33 0.00 0.00 177.00 172.59 1oft s LEU 136 N -6.48 0.25 0.90 -5.54 2.96 -1.26 -5.12 118.68 104.40 1oft s LEU 136 Ca 0.67 -1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.41 1oft s LEU 136 Cb -0.14 -0.04 0.08 0.00 0.50 0.00 0.00 46.19 46.59 1oft s LEU 136 CO 0.56 -0.42 0.81 -1.54 -1.32 0.00 0.00 176.35 174.44 1oft n SER 137 N 5.27 -0.64 0.26 3.68 3.41 -1.26 -4.79 113.62 119.55 1oft n SER 137 Ca -0.05 0.42 0.17 0.00 -0.26 0.00 0.00 58.87 59.16 1oft n SER 137 Cb 0.44 -1.35 0.80 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.50 0.00 0.29 4.33 2.43 -2.01 -2.31 114.38 115.62 1oft h ARG 138 Ca -0.44 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1oft h ARG 138 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1oft h ARG 138 CO 0.39 0.00 -0.14 0.00 -1.51 0.00 0.00 179.97 178.71 1oft h ALA 139 N 2.04 -0.41 -0.96 2.80 0.00 -2.00 -2.91 119.26 117.83 1oft h ALA 139 Ca 0.00 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.01 1oft h ALA 139 Cb 0.29 0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.06 1oft h ALA 139 CO 0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 179.25 178.61 1oft h ALA 140 N -1.16 0.57 0.08 0.00 0.00 -1.81 0.20 119.26 117.14 1oft h ALA 140 Ca -0.04 0.36 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1oft h ALA 140 Cb 0.30 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1oft h ALA 140 CO 0.07 -0.42 -0.31 0.00 0.00 0.00 0.00 179.25 178.58 1oft h ARG 141 N -0.00 -0.50 -0.91 0.00 3.08 -1.50 -0.11 114.38 114.44 1oft h ARG 141 Ca 0.44 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.74 1oft h ARG 141 Cb 0.69 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.78 1oft h ARG 141 CO -0.98 -0.33 0.60 0.87 -1.07 0.00 0.00 179.97 179.06 1oft h LYS 142 N -0.52 0.39 -0.17 0.04 1.57 -0.46 0.40 116.57 117.83 1oft h LYS 142 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1oft h LYS 142 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1oft h LYS 142 CO -0.21 0.26 0.05 1.96 -0.57 0.00 0.00 179.45 180.95 1oft h GLN 143 N 0.41 0.26 -0.27 3.15 4.20 0.28 -1.30 115.11 121.84 1oft h GLN 143 Ca 0.48 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 1oft h GLN 143 Cb 1.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1oft h GLN 143 CO -0.18 0.38 0.14 -0.07 -0.67 0.00 0.00 178.83 178.43 1oft h LEU 144 N 0.10 0.34 -0.56 1.46 3.38 0.33 -1.35 115.31 119.01 1oft h LEU 144 Ca 0.06 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1oft h LEU 144 Cb 0.22 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1oft h LEU 144 CO -0.00 0.34 0.11 -1.28 0.09 0.00 0.00 178.44 177.70 1oft h SER 145 N 0.32 -0.01 -0.16 -0.43 0.87 -0.12 0.53 113.55 114.55 1oft h SER 145 Ca 0.09 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1oft h SER 145 Cb 0.07 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1oft h SER 145 CO -0.01 0.01 -0.07 -0.09 -0.53 0.00 0.00 176.83 176.14 1oft h ARG 146 N 0.25 0.32 -0.64 2.24 2.43 -1.04 -1.37 114.38 116.57 1oft h ARG 146 Ca 0.29 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1oft h ARG 146 Cb 0.42 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 1oft h ARG 146 CO -0.38 0.63 0.34 0.00 -1.51 0.00 0.00 179.97 179.05 1oft h ALA 147 N 0.68 0.86 -0.41 2.80 0.00 -0.69 -0.59 119.26 121.91 1oft h ALA 147 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1oft h ALA 147 Cb 0.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1oft h ALA 147 CO 0.02 -0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.49 1oft h ALA 148 N 1.35 0.52 -0.15 0.00 0.00 0.23 -1.83 119.26 119.38 1oft h ALA 148 Ca 0.29 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1oft h ALA 148 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1oft h ALA 148 CO -0.20 -0.11 -0.27 1.96 0.00 0.00 0.00 179.25 180.63 1oft h GLN 149 N 0.47 0.28 -0.10 0.00 4.20 -0.42 0.35 115.11 119.89 1oft h GLN 149 Ca 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1oft h GLN 149 Cb 0.03 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1oft h GLN 149 CO -0.09 0.54 0.01 -0.07 -0.67 0.00 0.00 178.83 178.55 1oft h LEU 150 N 0.25 0.16 0.00 1.46 3.38 -0.69 -2.35 115.31 117.52 1oft h LEU 150 Ca 0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1oft h LEU 150 Cb 0.62 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1oft h LEU 150 CO 0.04 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1oft n GLY 151 N -0.37 -0.88 2.83 0.83 0.00 -0.73 -4.86 105.19 102.03 1oft n GLY 151 Ca -0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.01 -4.07 -3.16 1.61 6.02 -0.29 -4.41 117.38 112.07 1oft n GLN 152 Ca 0.20 0.88 -0.15 0.00 -0.01 0.00 0.00 57.00 57.92 1oft n GLN 152 Cb 0.10 -5.60 -0.02 0.00 1.02 0.00 0.00 30.24 25.74 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 -3.18 0.27 -2.80 -1.58 0.00 0.11 -4.94 120.51 108.39 1oft n ALA 153 Ca -0.13 -1.13 -0.32 0.00 0.00 0.00 0.00 53.44 51.87 1oft n ALA 153 Cb 0.63 0.58 -0.16 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.96 2.65 -0.20 0.00 -1.52 -0.61 -4.37 119.66 112.64 1oft s GLN 154 Ca 0.04 -0.88 -0.06 0.00 -1.95 0.00 0.00 55.36 52.51 1oft s GLN 154 Cb -0.00 -2.22 -0.03 0.00 -0.22 0.00 0.00 33.01 30.54 1oft s GLN 154 CO 0.02 0.36 0.03 0.45 -0.25 0.00 0.00 175.29 175.91 1oft s SER 155 N -0.11 5.19 -0.12 5.90 0.15 0.15 -1.77 113.70 123.09 1oft s SER 155 Ca -0.05 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1oft s SER 155 Cb -0.14 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1oft s SER 155 CO 0.04 0.10 -0.11 -0.22 1.20 0.00 0.00 173.24 174.25 1oft s LEU 156 N 0.81 1.45 -0.17 3.45 2.96 -0.96 -1.81 118.68 124.41 1oft s LEU 156 Ca 0.02 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1oft s LEU 156 Cb -0.14 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 1oft s LEU 156 CO 0.02 -0.07 -0.05 0.21 -1.32 0.00 0.00 176.35 175.14 1oft s ASN 157 N 1.44 4.56 -0.24 3.68 2.47 -0.30 -0.65 114.94 125.90 1oft s ASN 157 Ca 0.01 -0.22 -0.05 0.00 0.42 0.00 0.00 52.86 53.02 1oft s ASN 157 Cb -0.13 -1.75 -0.01 0.00 -1.45 0.00 0.00 41.25 37.91 1oft s ASN 157 CO -0.07 0.12 0.00 -0.63 -3.72 0.00 0.00 177.10 172.81 1oft s ILE 158 N 0.63 3.70 -0.76 -5.21 1.01 0.15 -0.36 121.20 120.35 1oft s ILE 158 Ca -0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1oft s ILE 158 Cb -0.15 -2.72 0.20 0.00 0.01 0.00 0.00 42.46 39.80 1oft s ILE 158 CO 0.02 0.37 0.67 -0.13 0.00 0.00 0.00 174.94 175.88 1oft s ARG 159 N 1.52 3.32 0.56 2.79 0.52 0.04 -4.30 118.95 123.40 1oft s ARG 159 Ca 0.06 -2.43 -0.17 0.00 -0.52 0.00 0.00 55.73 52.67 1oft s ARG 159 Cb -0.15 -4.26 -0.05 0.00 0.52 0.00 0.00 34.95 31.01 1oft s ARG 159 CO -0.01 -1.26 1.04 -0.51 0.02 0.00 0.00 175.30 174.58 1oft s LEU 160 N 0.20 3.61 0.00 2.53 1.43 -1.26 -2.29 118.68 122.90 1oft s LEU 160 Ca 0.17 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1oft s LEU 160 Cb -0.14 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1oft s LEU 160 CO -0.07 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.12