#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nt4 s HIS 0 N 0.00 3.08 0.03 1.43 5.65 -1.25 -4.49 115.29 119.75 2nt4 s HIS 0 Ca 0.00 1.28 0.03 0.00 0.25 0.00 0.00 55.06 56.63 2nt4 s HIS 0 Cb 0.00 -3.70 -0.02 0.00 -1.18 0.00 0.00 32.58 27.68 2nt4 s HIS 0 CO 0.00 -2.06 -0.10 0.00 -0.65 0.00 0.00 174.74 171.93 2nt4 s MET 1 N -1.13 0.67 0.06 2.88 0.00 -0.40 -4.98 119.30 116.40 2nt4 s MET 1 Ca 0.53 -0.66 -0.31 0.00 0.00 0.00 0.00 55.69 55.26 2nt4 s MET 1 Cb -0.40 -0.58 -0.07 0.00 0.00 0.00 0.00 34.83 33.78 2nt4 s MET 1 CO 0.48 0.14 1.53 0.45 0.00 0.00 0.00 175.02 177.62 2nt4 s SER 2 N -1.14 6.71 -0.05 -1.18 0.15 -1.26 -4.58 113.70 112.34 2nt4 s SER 2 Ca -0.03 2.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.96 2nt4 s SER 2 Cb -0.08 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2nt4 s SER 2 CO 0.01 -0.80 0.02 -0.54 1.20 0.00 0.00 173.24 173.13 2nt4 s LYS 3 N 2.29 0.32 -0.15 5.44 1.02 -1.26 -5.05 119.74 122.35 2nt4 s LYS 3 Ca 0.69 0.20 -0.05 0.00 0.02 0.00 0.00 55.97 56.83 2nt4 s LYS 3 Cb -0.37 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 2nt4 s LYS 3 CO 0.30 -0.29 0.04 0.15 -0.92 0.00 0.00 175.35 174.62 2nt4 s LYS 4 N 1.93 3.67 -0.04 1.68 1.02 -1.26 -1.08 119.74 125.66 2nt4 s LYS 4 Ca 0.03 -0.37 0.06 0.00 0.02 0.00 0.00 55.97 55.70 2nt4 s LYS 4 Cb -0.12 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 2nt4 s LYS 4 CO -0.04 0.40 -0.21 0.42 -0.92 0.00 0.00 175.35 175.00 2nt4 s ILE 5 N -0.01 1.66 -0.14 2.17 1.01 0.38 -0.22 121.20 126.04 2nt4 s ILE 5 Ca 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 2nt4 s ILE 5 Cb -0.12 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2nt4 s ILE 5 CO 0.01 0.47 -0.07 -0.22 0.00 0.00 0.00 174.94 175.13 2nt4 s LEU 6 N -0.23 3.05 -0.24 2.97 2.96 -0.69 -1.04 118.68 125.46 2nt4 s LEU 6 Ca 0.01 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 2nt4 s LEU 6 Cb -0.11 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2nt4 s LEU 6 CO 0.01 0.17 0.10 -0.63 -1.32 0.00 0.00 176.35 174.69 2nt4 s ILE 7 N 0.34 4.72 -0.43 6.68 1.01 -0.13 -0.97 121.20 132.42 2nt4 s ILE 7 Ca -0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2nt4 s ILE 7 Cb -0.15 -3.20 0.09 0.00 0.01 0.00 0.00 42.46 39.21 2nt4 s ILE 7 CO 0.04 0.34 0.27 -0.69 0.00 0.00 0.00 174.94 174.90 2nt4 s VAL 8 N 1.36 4.08 -0.26 2.92 1.01 0.45 -0.73 120.40 129.22 2nt4 s VAL 8 Ca 0.06 -1.58 -0.14 0.00 0.00 0.00 0.00 61.98 60.32 2nt4 s VAL 8 Cb -0.15 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.74 2nt4 s VAL 8 CO 0.05 -0.59 0.63 -0.70 0.00 0.00 0.00 175.10 174.50 2nt4 s GLU 9 N 1.37 0.64 0.25 2.72 2.56 -0.48 -1.51 118.70 124.24 2nt4 s GLU 9 Ca 0.04 1.18 0.09 0.00 0.00 0.00 0.00 54.97 56.27 2nt4 s GLU 9 Cb -0.24 0.19 0.28 0.00 2.00 0.00 0.00 34.13 36.37 2nt4 s GLU 9 CO 0.00 -0.16 1.57 0.77 -0.56 0.00 0.00 175.26 176.89 2nt4 h SER 10 N 7.15 0.07 -1.75 -1.70 0.02 -1.83 -3.35 113.55 112.17 2nt4 h SER 10 Ca -0.29 -0.04 -0.61 0.00 -0.84 0.00 0.00 61.79 60.00 2nt4 h SER 10 Cb 1.21 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.61 2nt4 h SER 10 CO 0.17 0.70 1.20 -0.62 -1.14 0.00 0.00 176.83 177.15 2nt4 s ASP 11 N -6.86 6.42 0.44 3.07 -1.08 -1.26 -4.84 116.67 112.56 2nt4 s ASP 11 Ca -0.02 -1.30 0.24 0.00 -0.52 0.00 0.00 52.55 50.95 2nt4 s ASP 11 Cb 0.12 -2.52 0.52 0.00 -1.46 0.00 0.00 42.92 39.58 2nt4 s ASP 11 CO 0.78 -1.50 1.67 0.71 0.52 0.00 0.00 175.17 177.35 2nt4 h THR 12 N 6.39 0.16 -0.10 1.71 1.35 -1.99 -0.28 112.91 120.15 2nt4 h THR 12 Ca 0.04 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.80 2nt4 h THR 12 Cb 1.03 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 69.40 2nt4 h THR 12 CO 1.32 0.08 0.01 0.00 -0.25 0.00 0.00 175.52 176.69 2nt4 h ALA 13 N 1.92 0.13 -0.52 6.62 0.00 -1.97 -1.65 119.26 123.78 2nt4 h ALA 13 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2nt4 h ALA 13 Cb 0.95 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2nt4 h ALA 13 CO 0.01 -0.22 0.22 1.25 0.00 0.00 0.00 179.25 180.52 2nt4 h LEU 14 N -0.08 0.71 -0.70 0.00 5.85 -1.92 -1.99 115.31 117.18 2nt4 h LEU 14 Ca 0.03 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2nt4 h LEU 14 Cb 0.29 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2nt4 h LEU 14 CO 0.00 0.67 0.37 -1.28 -0.34 0.00 0.00 178.44 177.86 2nt4 h SER 15 N 0.70 0.52 -0.60 1.25 0.87 -1.01 -0.21 113.55 115.07 2nt4 h SER 15 Ca 0.18 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2nt4 h SER 15 Cb 0.17 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2nt4 h SER 15 CO -0.02 0.31 0.21 0.00 -0.53 0.00 0.00 176.83 176.81 2nt4 h ALA 16 N 1.40 0.78 -0.22 6.23 0.00 -1.01 0.12 119.26 126.56 2nt4 h ALA 16 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2nt4 h ALA 16 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2nt4 h ALA 16 CO -0.23 0.42 0.13 1.15 0.00 0.00 0.00 179.25 180.72 2nt4 h THR 17 N 0.84 1.09 -0.47 0.00 2.02 -0.61 -1.42 112.91 114.35 2nt4 h THR 17 Ca 0.20 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 2nt4 h THR 17 Cb 0.25 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2nt4 h THR 17 CO -0.01 0.09 -0.03 -0.07 0.37 0.00 0.00 175.52 175.86 2nt4 h LEU 18 N 0.27 0.85 -0.39 2.58 3.38 -0.82 -1.94 115.31 119.24 2nt4 h LEU 18 Ca 0.08 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2nt4 h LEU 18 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2nt4 h LEU 18 CO -0.01 0.97 0.19 -0.09 0.09 0.00 0.00 178.44 179.58 2nt4 h ARG 19 N 0.71 0.37 -0.47 1.13 2.43 -0.61 -0.27 114.38 117.67 2nt4 h ARG 19 Ca 0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2nt4 h ARG 19 Cb 0.55 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2nt4 h ARG 19 CO 0.03 0.25 0.22 1.03 -1.51 0.00 0.00 179.97 179.98 2nt4 h SER 20 N 0.38 0.63 -0.62 -3.80 0.87 -1.15 -0.14 113.55 109.72 2nt4 h SER 20 Ca 0.17 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2nt4 h SER 20 Cb 0.08 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2nt4 h SER 20 CO -0.12 0.59 0.28 0.00 -0.53 0.00 0.00 176.83 177.04 2nt4 h ALA 21 N 1.06 0.81 -0.36 6.23 0.00 -1.06 -0.89 119.26 125.04 2nt4 h ALA 21 Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2nt4 h ALA 21 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2nt4 h ALA 21 CO -0.02 0.39 -0.16 -0.07 0.00 0.00 0.00 179.25 179.39 2nt4 h LEU 22 N 0.86 0.76 -1.80 0.00 3.38 -0.89 -2.82 115.31 114.81 2nt4 h LEU 22 Ca 0.21 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2nt4 h LEU 22 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2nt4 h LEU 22 CO -0.02 0.99 0.13 -0.33 0.09 0.00 0.00 178.44 179.30 2nt4 h GLU 23 N 0.53 0.26 0.00 1.13 5.08 -0.84 -1.84 114.58 118.91 2nt4 h GLU 23 Ca 0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2nt4 h GLU 23 Cb 0.70 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2nt4 h GLU 23 CO 0.05 0.18 -0.04 0.78 -1.00 0.00 0.00 179.01 178.98 2nt4 h GLY 24 N 0.28 0.00 -0.11 -3.84 0.00 -0.89 -0.28 103.07 98.23 2nt4 h GLY 24 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2nt4 h GLY 24 CO -0.02 0.00 -0.26 0.54 0.00 0.00 0.00 176.54 176.80 2nt4 n ARG 25 N -3.56 1.03 0.00 4.80 5.12 -0.73 -4.96 116.66 118.37 2nt4 n ARG 25 Ca -0.02 -0.67 0.00 0.00 -1.93 0.00 0.00 57.85 55.23 2nt4 n ARG 25 Cb 0.14 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 2nt4 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2nt4 n GLY 26 N 1.34 0.68 3.78 -0.13 0.00 -0.12 -4.18 105.19 106.56 2nt4 n GLY 26 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2nt4 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nt4 s PHE 27 N -2.00 2.73 -0.22 1.61 0.08 -0.99 -4.70 117.98 114.49 2nt4 s PHE 27 Ca 0.00 1.55 -0.16 0.00 0.12 0.00 0.00 56.93 58.43 2nt4 s PHE 27 Cb 0.00 -3.24 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 2nt4 s PHE 27 CO 0.00 -1.44 0.43 0.99 -0.10 0.00 0.00 175.22 175.10 2nt4 s THR 28 N -1.87 5.16 -0.04 0.64 2.01 -0.24 -4.14 115.64 117.16 2nt4 s THR 28 Ca 0.71 0.75 0.03 0.00 0.31 0.00 0.00 61.69 63.49 2nt4 s THR 28 Cb -0.22 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2nt4 s THR 28 CO 0.27 0.20 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.59 2nt4 s VAL 29 N 1.62 1.07 0.32 3.82 1.01 -1.26 -0.47 120.40 126.51 2nt4 s VAL 29 Ca 0.20 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2nt4 s VAL 29 Cb -0.15 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2nt4 s VAL 29 CO 0.09 0.32 -0.09 -0.62 0.00 0.00 0.00 175.10 174.80 2nt4 s ASP 30 N 0.27 3.41 0.04 3.32 2.15 -0.21 -4.98 116.67 120.67 2nt4 s ASP 30 Ca -0.06 -1.19 -0.04 0.00 0.43 0.00 0.00 52.55 51.69 2nt4 s ASP 30 Cb -0.11 -0.29 -0.02 0.00 -0.30 0.00 0.00 42.92 42.20 2nt4 s ASP 30 CO 0.02 -0.24 0.05 -1.83 -0.17 0.00 0.00 175.17 173.00 2nt4 s GLU 31 N -3.64 0.53 -0.06 4.34 -1.05 -1.26 -0.96 118.70 116.60 2nt4 s GLU 31 Ca 0.31 -0.79 -0.10 0.00 -0.15 0.00 0.00 54.97 54.24 2nt4 s GLU 31 Cb 0.03 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.94 2nt4 s GLU 31 CO 0.15 -0.12 0.25 -0.08 0.95 0.00 0.00 175.26 176.41 2nt4 s THR 32 N -2.55 0.03 -1.78 1.83 -1.32 0.09 -4.93 115.64 107.01 2nt4 s THR 32 Ca -0.06 -0.26 0.25 0.00 -1.21 0.00 0.00 61.69 60.42 2nt4 s THR 32 Cb -0.02 -0.45 0.19 0.00 -1.51 0.00 0.00 72.50 70.72 2nt4 s THR 32 CO -0.05 -0.14 1.45 0.35 -2.21 0.00 0.00 174.62 174.02 2nt4 n THR 33 N 2.21 0.00 -2.82 5.08 -2.24 -1.26 -1.38 114.28 113.87 2nt4 n THR 33 Ca -0.17 -0.15 -0.44 0.00 -2.27 0.00 0.00 64.05 61.02 2nt4 n THR 33 Cb 0.57 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2nt4 n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nt4 s ASP 34 N -2.52 6.99 0.23 3.42 2.15 -1.26 -4.73 116.67 120.94 2nt4 s ASP 34 Ca 0.22 -2.80 -0.07 0.00 0.43 0.00 0.00 52.55 50.33 2nt4 s ASP 34 Cb 0.19 -2.46 0.25 0.00 -0.30 0.00 0.00 42.92 40.60 2nt4 s ASP 34 CO 0.54 -0.89 1.88 1.23 -0.17 0.00 0.00 175.17 177.76 2nt4 h GLY 35 N 10.67 1.22 0.90 2.66 0.00 -1.90 -2.17 103.07 114.45 2nt4 h GLY 35 Ca 0.36 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.31 2nt4 h GLY 35 CO 1.32 0.36 0.66 1.70 0.00 0.00 0.00 176.54 180.57 2nt4 h LYS 36 N 1.07 1.23 -0.01 4.80 1.63 -1.92 -2.14 116.57 121.24 2nt4 h LYS 36 Ca 0.33 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2nt4 h LYS 36 Cb -0.01 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 31.34 2nt4 h LYS 36 CO -0.11 0.82 -0.11 0.41 -3.45 0.00 0.00 179.45 177.00 2nt4 n GLY 37 N -1.37 -0.79 0.30 5.01 0.00 -1.00 -4.56 105.19 102.78 2nt4 n GLY 37 Ca 0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 2nt4 n GLY 37 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nt4 h SER 38 N 0.83 0.99 -0.42 1.61 4.64 -0.75 -0.32 113.55 120.13 2nt4 h SER 38 Ca 0.00 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2nt4 h SER 38 Cb 0.37 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 2nt4 h SER 38 CO 0.00 0.99 0.23 0.58 -0.87 0.00 0.00 176.83 177.76 2nt4 h VAL 39 N 0.95 1.02 -0.00 0.95 2.07 -1.80 -0.13 116.25 119.31 2nt4 h VAL 39 Ca 0.19 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 2nt4 h VAL 39 Cb 0.41 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2nt4 h VAL 39 CO 0.01 0.09 -0.58 -0.33 0.02 0.00 0.00 177.57 176.78 2nt4 h GLU 40 N 0.47 0.02 -0.51 1.57 4.39 -1.77 -1.22 114.58 117.52 2nt4 h GLU 40 Ca 0.17 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 2nt4 h GLU 40 Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2nt4 h GLU 40 CO -0.09 0.59 0.03 0.37 -1.16 0.00 0.00 179.01 178.75 2nt4 h GLN 41 N 0.01 0.88 -0.85 2.33 4.15 -0.56 -1.16 115.11 119.91 2nt4 h GLN 41 Ca -0.01 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 2nt4 h GLN 41 Cb 1.03 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 2nt4 h GLN 41 CO 0.08 0.89 0.53 0.82 -1.93 0.00 0.00 178.83 179.22 2nt4 h ILE 42 N 0.75 1.23 -0.77 2.39 2.04 -0.75 0.14 117.51 122.53 2nt4 h ILE 42 Ca 0.15 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2nt4 h ILE 42 Cb 0.48 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2nt4 h ILE 42 CO 0.02 0.24 0.45 -0.09 0.00 0.00 0.00 178.15 178.77 2nt4 h ARG 43 N 1.16 1.06 0.06 2.37 2.43 -0.85 -0.14 114.38 120.47 2nt4 h ARG 43 Ca 0.31 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2nt4 h ARG 43 Cb -0.07 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 2nt4 h ARG 43 CO -0.06 0.76 -0.03 0.00 -1.51 0.00 0.00 179.97 179.13 2nt4 h ARG 44 N 1.06 -0.07 0.00 0.20 3.08 -0.77 -3.37 114.38 114.51 2nt4 h ARG 44 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2nt4 h ARG 44 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2nt4 h ARG 44 CO -0.05 0.35 -1.05 -0.25 -1.07 0.00 0.00 179.97 177.90 2nt4 n ASP 45 N -4.92 0.78 -3.66 7.04 8.00 0.44 -5.00 116.55 119.23 2nt4 n ASP 45 Ca -0.08 0.28 -0.29 0.00 0.71 0.00 0.00 54.79 55.40 2nt4 n ASP 45 Cb 0.24 0.55 0.04 0.00 -0.02 0.00 0.00 41.12 41.93 2nt4 n ASP 45 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2nt4 n ARG 46 N -2.59 -1.71 -1.60 -1.24 5.12 -0.07 -4.94 116.66 109.63 2nt4 n ARG 46 Ca -0.00 0.50 -0.34 0.00 -1.93 0.00 0.00 57.85 56.09 2nt4 n ARG 46 Cb 0.54 -4.38 0.07 0.00 -1.16 0.00 0.00 32.46 27.53 2nt4 n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2nt4 s PRO 47 N -5.87 2.47 0.33 5.56 0.04 -1.26 -4.93 135.00 131.34 2nt4 s PRO 47 Ca 0.41 1.58 0.25 0.00 0.04 0.00 0.00 61.00 63.28 2nt4 s PRO 47 Cb -0.14 -1.89 0.71 0.00 0.04 0.00 0.00 34.50 33.22 2nt4 s PRO 47 CO 0.85 -1.54 1.73 -0.44 0.04 0.00 0.00 177.00 177.64 2nt4 h ASP 48 N -0.12 0.00 -4.64 6.66 3.32 -0.97 -3.46 116.42 117.21 2nt4 h ASP 48 Ca -0.47 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 2nt4 h ASP 48 Cb 1.27 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.62 2nt4 h ASP 48 CO 0.52 0.00 0.18 -0.22 -1.72 0.00 0.00 179.24 178.00 2nt4 s LEU 49 N -5.28 -0.68 -0.06 1.55 0.20 -1.02 -4.18 118.68 109.21 2nt4 s LEU 49 Ca 0.08 0.96 0.05 0.00 0.69 0.00 0.00 54.13 55.91 2nt4 s LEU 49 Cb 0.09 2.50 -0.01 0.00 -0.43 0.00 0.00 46.19 48.34 2nt4 s LEU 49 CO 0.60 -0.48 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.25 2nt4 s VAL 50 N -0.65 1.95 -0.24 1.68 1.01 -0.35 -1.70 120.40 122.10 2nt4 s VAL 50 Ca -0.07 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 2nt4 s VAL 50 Cb -0.02 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2nt4 s VAL 50 CO 0.07 0.54 0.10 -0.69 0.00 0.00 0.00 175.10 175.12 2nt4 s VAL 51 N -0.04 4.74 -0.11 2.92 1.01 -0.14 -0.72 120.40 128.06 2nt4 s VAL 51 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2nt4 s VAL 51 Cb -0.14 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2nt4 s VAL 51 CO 0.04 0.35 -0.05 -0.22 0.00 0.00 0.00 175.10 175.22 2nt4 s LEU 52 N 1.29 1.08 0.45 3.92 2.96 0.12 -0.41 118.68 128.08 2nt4 s LEU 52 Ca 0.06 -0.29 -0.21 0.00 -0.22 0.00 0.00 54.13 53.46 2nt4 s LEU 52 Cb -0.15 -0.75 -0.10 0.00 0.50 0.00 0.00 46.19 45.70 2nt4 s LEU 52 CO 0.05 -0.15 0.98 0.00 -1.32 0.00 0.00 176.35 175.91 2nt4 s ALA 53 N 1.77 2.98 -0.03 5.97 0.00 -0.57 -1.14 121.76 130.74 2nt4 s ALA 53 Ca 0.04 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 2nt4 s ALA 53 Cb -0.13 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 2nt4 s ALA 53 CO -0.07 -0.03 0.85 0.28 0.00 0.00 0.00 175.76 176.79 2nt4 h VAL 54 N 1.80 0.43 -3.58 0.00 2.07 -1.59 -3.06 116.25 112.31 2nt4 h VAL 54 Ca -0.49 -0.78 -0.65 0.00 0.82 0.00 0.00 66.70 65.60 2nt4 h VAL 54 Cb 1.19 0.69 -0.15 0.00 -1.52 0.00 0.00 31.29 31.51 2nt4 h VAL 54 CO 0.60 0.10 0.06 -0.62 0.02 0.00 0.00 177.57 177.73 2nt4 s ASP 55 N -5.12 6.34 0.29 0.57 2.15 -1.26 -0.48 116.67 119.15 2nt4 s ASP 55 Ca -0.11 -0.16 0.11 0.00 0.43 0.00 0.00 52.55 52.81 2nt4 s ASP 55 Cb 0.01 -2.30 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2nt4 s ASP 55 CO 0.39 -0.64 -0.10 -0.76 -0.17 0.00 0.00 175.17 173.90 2nt4 s LEU 56 N 2.62 2.86 0.92 -1.34 1.43 -1.04 -4.67 118.68 119.46 2nt4 s LEU 56 Ca 0.21 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 2nt4 s LEU 56 Cb -0.15 -1.33 0.14 0.00 0.03 0.00 0.00 46.19 44.88 2nt4 s LEU 56 CO 0.16 -0.04 1.10 -0.94 0.23 0.00 0.00 176.35 176.87 2nt4 s SER 57 N -3.60 3.12 -1.73 2.29 1.04 -1.26 -3.75 113.70 109.80 2nt4 s SER 57 Ca 0.31 1.83 -0.00 0.00 0.48 0.00 0.00 55.95 58.57 2nt4 s SER 57 Cb -0.04 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2nt4 s SER 57 CO 0.17 -2.92 0.04 0.00 0.98 0.00 0.00 173.24 171.52 2nt4 n ALA 58 N -4.09 -0.65 -0.98 5.32 0.00 -1.26 -2.12 120.51 116.73 2nt4 n ALA 58 Ca 0.09 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2nt4 n ALA 58 Cb 0.53 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2nt4 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nt4 n GLY 59 N -1.03 0.48 3.81 0.00 0.00 -1.25 -5.02 105.19 102.17 2nt4 n GLY 59 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2nt4 n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nt4 s GLN 60 N -0.39 3.50 -0.08 1.61 -1.52 -0.90 -5.00 119.66 116.88 2nt4 s GLN 60 Ca 0.00 1.15 -0.04 0.00 -1.95 0.00 0.00 55.36 54.53 2nt4 s GLN 60 Cb 0.00 -2.06 0.05 0.00 -0.22 0.00 0.00 33.01 30.77 2nt4 s GLN 60 CO 0.00 -0.66 0.18 1.21 -0.25 0.00 0.00 175.29 175.77 2nt4 s ASN 61 N -2.80 0.20 0.44 5.90 3.84 -1.26 -2.50 114.94 118.76 2nt4 s ASN 61 Ca 0.63 0.38 0.18 0.00 0.21 0.00 0.00 52.86 54.25 2nt4 s ASN 61 Cb -0.15 0.31 1.01 0.00 -0.55 0.00 0.00 41.25 41.87 2nt4 s ASN 61 CO 0.34 -0.19 1.93 1.23 -2.79 0.00 0.00 177.10 177.63 2nt4 h GLY 62 N 7.73 0.00 1.05 1.21 0.00 -0.68 -1.33 103.07 111.05 2nt4 h GLY 62 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 2nt4 h GLY 62 CO 0.29 0.00 0.05 -0.97 0.00 0.00 0.00 176.54 175.91 2nt4 h TYR 63 N 0.00 1.09 -0.44 5.60 0.05 -1.84 0.42 116.97 121.85 2nt4 h TYR 63 Ca -0.00 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 2nt4 h TYR 63 Cb 0.49 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2nt4 h TYR 63 CO 0.00 0.95 0.11 -0.07 -1.05 0.00 0.00 178.16 178.10 2nt4 h LEU 64 N 0.90 0.67 -0.22 3.88 3.38 -1.80 -1.00 115.31 121.12 2nt4 h LEU 64 Ca 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2nt4 h LEU 64 Cb 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2nt4 h LEU 64 CO 0.02 0.73 0.08 0.40 0.09 0.00 0.00 178.44 179.76 2nt4 h ILE 65 N 0.58 1.18 -0.66 1.22 2.04 -1.14 -1.58 117.51 119.15 2nt4 h ILE 65 Ca 0.14 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2nt4 h ILE 65 Cb 0.32 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2nt4 h ILE 65 CO 0.00 0.18 0.24 0.00 0.00 0.00 0.00 178.15 178.57 2nt4 h GLY 67 N 1.04 0.74 0.94 0.00 0.00 -0.85 -0.75 103.07 104.20 2nt4 h GLY 67 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2nt4 h GLY 67 CO -0.02 0.05 0.16 0.50 0.00 0.00 0.00 176.54 177.24 2nt4 h LYS 68 N 0.44 0.52 -0.74 4.80 1.57 -0.63 -2.20 116.57 120.33 2nt4 h LYS 68 Ca 0.25 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2nt4 h LYS 68 Cb 0.24 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2nt4 h LYS 68 CO -0.22 0.49 0.45 -0.07 -0.57 0.00 0.00 179.45 179.52 2nt4 h LEU 69 N 0.44 0.71 -0.05 2.94 3.38 -0.79 -2.38 115.31 119.56 2nt4 h LEU 69 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2nt4 h LEU 69 Cb 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2nt4 h LEU 69 CO -0.01 0.47 0.00 0.29 0.09 0.00 0.00 178.44 179.28 2nt4 n LYS 70 N -4.68 0.16 0.00 1.13 4.76 -0.32 -2.36 118.16 116.84 2nt4 n LYS 70 Ca 0.09 0.16 0.11 0.00 -2.87 0.00 0.00 58.31 55.80 2nt4 n LYS 70 Cb 0.14 -1.69 0.13 0.00 -1.84 0.00 0.00 35.03 31.77 2nt4 n LYS 70 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2nt4 n LYS 71 N -1.97 0.40 -3.10 1.97 5.02 -0.85 -4.77 118.16 114.87 2nt4 n LYS 71 Ca 0.06 -0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 55.65 2nt4 n LYS 71 Cb 0.38 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 2nt4 n LYS 71 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2nt4 s ASP 72 N -2.79 6.50 0.55 4.39 -1.08 -0.93 -4.94 116.67 118.37 2nt4 s ASP 72 Ca 0.15 0.41 0.22 0.00 -0.52 0.00 0.00 52.55 52.80 2nt4 s ASP 72 Cb 0.18 -2.34 1.49 0.00 -1.46 0.00 0.00 42.92 40.79 2nt4 s ASP 72 CO 0.68 -0.51 2.18 0.44 0.52 0.00 0.00 175.17 178.48 2nt4 h ASP 73 N 8.22 0.00 0.56 -0.34 3.32 -1.89 -0.23 116.42 126.05 2nt4 h ASP 73 Ca -0.26 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.50 2nt4 h ASP 73 Cb 1.11 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.67 2nt4 h ASP 73 CO 0.81 0.00 -1.32 0.44 -1.72 0.00 0.00 179.24 177.46 2nt4 h ASP 74 N 0.00 0.47 0.01 6.45 3.32 -1.92 -3.39 116.42 121.37 2nt4 h ASP 74 Ca 0.02 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2nt4 h ASP 74 Cb 0.09 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2nt4 h ASP 74 CO -0.00 1.42 -0.94 0.18 -1.72 0.00 0.00 179.24 178.17 2nt4 n LEU 75 N -3.54 1.08 0.31 1.55 4.77 -0.76 -4.49 117.00 115.92 2nt4 n LEU 75 Ca -0.11 -0.51 0.20 0.00 -0.03 0.00 0.00 56.01 55.56 2nt4 n LEU 75 Cb 1.04 -0.00 0.97 0.00 -2.33 0.00 0.00 43.42 43.10 2nt4 n LEU 75 CO 0.54 0.26 1.10 0.07 -1.33 0.00 0.00 177.39 178.03 2nt4 h LYS 76 N 0.22 0.00 -0.01 3.23 2.10 -0.84 -2.06 116.57 119.20 2nt4 h LYS 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nt4 h LYS 76 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2nt4 h LYS 76 CO 0.00 0.01 -0.06 0.09 -2.00 0.00 0.00 179.45 177.49 2nt4 n ASN 77 N -3.13 1.21 -4.67 7.07 4.13 -1.26 -4.81 115.26 113.80 2nt4 n ASN 77 Ca -0.01 -1.28 -0.43 0.00 1.68 0.00 0.00 54.58 54.54 2nt4 n ASN 77 Cb 0.18 0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.41 2nt4 n ASN 77 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2nt4 s VAL 78 N -2.12 4.17 0.31 2.41 1.01 -0.78 -4.98 120.40 120.41 2nt4 s VAL 78 Ca 0.36 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 2nt4 s VAL 78 Cb 0.21 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2nt4 s VAL 78 CO 0.38 -0.07 1.42 -2.84 0.00 0.00 0.00 175.10 173.98 2nt4 s PRO 79 N 3.00 4.25 -0.06 2.72 0.02 -1.26 -4.88 135.00 138.79 2nt4 s PRO 79 Ca 0.57 2.35 0.05 0.00 0.02 0.00 0.00 61.00 63.99 2nt4 s PRO 79 Cb -0.24 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 2nt4 s PRO 79 CO 0.19 -0.38 -0.22 0.42 -0.33 0.00 0.00 177.00 176.68 2nt4 s ILE 80 N -0.62 1.84 -0.27 2.83 1.01 -1.26 -1.21 121.20 123.52 2nt4 s ILE 80 Ca 0.55 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 2nt4 s ILE 80 Cb -0.43 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.49 2nt4 s ILE 80 CO 0.51 0.52 -0.01 -0.69 0.00 0.00 0.00 174.94 175.27 2nt4 s VAL 81 N 0.04 3.20 0.13 2.92 1.01 0.10 -1.09 120.40 126.71 2nt4 s VAL 81 Ca -0.07 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 2nt4 s VAL 81 Cb -0.14 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 2nt4 s VAL 81 CO 0.04 0.10 0.97 -0.63 0.00 0.00 0.00 175.10 175.59 2nt4 s ILE 82 N 1.36 4.39 -0.02 2.22 -1.09 -0.44 -0.71 121.20 126.90 2nt4 s ILE 82 Ca -0.00 2.04 0.06 0.00 -2.23 0.00 0.00 60.65 60.51 2nt4 s ILE 82 Cb -0.17 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.39 2nt4 s ILE 82 CO -0.02 0.34 -0.20 0.27 -1.23 0.00 0.00 174.94 174.10 2nt4 s ILE 83 N -0.18 1.57 -3.82 2.92 -4.36 -0.29 -0.65 121.20 116.39 2nt4 s ILE 83 Ca 0.46 -0.83 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 2nt4 s ILE 83 Cb -0.24 -1.32 0.00 0.00 1.25 0.00 0.00 42.46 42.15 2nt4 s ILE 83 CO 0.31 0.45 0.00 0.61 0.24 0.00 0.00 174.94 176.54 2nt4 n GLY 84 N 2.74 -2.22 3.68 6.27 0.00 -1.10 -1.42 105.19 113.15 2nt4 n GLY 84 Ca -0.16 -1.22 -0.58 0.00 0.00 0.00 0.00 46.02 44.06 2nt4 n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2nt4 n ASN 85 N 2.29 1.85 0.00 1.61 5.15 -1.26 -0.75 115.26 124.15 2nt4 n ASN 85 Ca 0.00 1.11 0.13 0.00 -0.60 0.00 0.00 54.58 55.22 2nt4 n ASN 85 Cb 0.00 -1.09 0.69 0.00 -0.53 0.00 0.00 39.78 38.85 2nt4 n ASN 85 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2nt4 n PRO 86 N 4.23 0.45 0.11 1.20 -0.04 -1.26 -4.13 135.00 135.56 2nt4 n PRO 86 Ca 0.25 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2nt4 n PRO 86 Cb 0.11 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.62 2nt4 n PRO 86 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2nt4 h ASP 87 N 0.00 0.21 0.05 3.54 5.19 -1.99 -2.32 116.42 121.10 2nt4 h ASP 87 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2nt4 h ASP 87 Cb 0.22 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2nt4 h ASP 87 CO 0.00 0.14 -0.10 0.61 -3.12 0.00 0.00 179.24 176.77 2nt4 n GLY 88 N -1.52 -0.04 0.23 2.75 0.00 -1.26 -4.53 105.19 100.82 2nt4 n GLY 88 Ca 0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 2nt4 n GLY 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2nt4 h PHE 89 N 2.34 0.73 -0.70 1.61 0.04 -1.69 -1.77 116.94 117.51 2nt4 h PHE 89 Ca 0.00 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 2nt4 h PHE 89 Cb 0.58 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 2nt4 h PHE 89 CO 0.00 0.58 0.22 0.00 -0.60 0.00 0.00 178.31 178.51 2nt4 h ALA 90 N 1.08 0.91 -0.79 2.45 0.00 -1.80 -1.05 119.26 120.07 2nt4 h ALA 90 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2nt4 h ALA 90 Cb 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2nt4 h ALA 90 CO -0.02 0.58 0.48 1.96 0.00 0.00 0.00 179.25 182.26 2nt4 h GLN 91 N 1.02 1.06 -0.74 0.00 4.20 -1.80 -2.64 115.11 116.20 2nt4 h GLN 91 Ca 0.23 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2nt4 h GLN 91 Cb 0.29 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2nt4 h GLN 91 CO -0.01 0.74 0.22 0.35 -0.67 0.00 0.00 178.83 179.46 2nt4 h PHE 92 N 1.07 1.19 -0.19 2.96 -0.00 -0.58 -2.17 116.94 119.23 2nt4 h PHE 92 Ca 0.28 -0.12 0.02 0.00 -0.00 0.00 0.00 57.97 58.15 2nt4 h PHE 92 Cb -0.06 -0.34 -0.01 0.00 -0.00 0.00 0.00 35.95 35.54 2nt4 h PHE 92 CO -0.01 0.94 0.13 0.00 -0.00 0.00 0.00 178.31 179.37 2nt4 h ARG 93 N 1.10 0.19 0.00 1.11 3.08 -0.89 -2.02 114.38 116.94 2nt4 h ARG 93 Ca 0.24 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 2nt4 h ARG 93 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2nt4 h ARG 93 CO -0.01 0.12 -0.19 0.87 -1.07 0.00 0.00 179.97 179.70 2nt4 h LYS 94 N 0.19 0.00 -7.30 0.04 1.57 -1.06 -3.44 116.57 106.58 2nt4 h LYS 94 Ca 0.08 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.34 2nt4 h LYS 94 Cb 0.08 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.51 2nt4 h LYS 94 CO -0.01 0.19 0.33 -0.51 -0.57 0.00 0.00 179.45 178.87 2nt4 s LEU 95 N -6.46 3.08 0.10 2.94 1.43 -0.76 -4.98 118.68 114.03 2nt4 s LEU 95 Ca 0.03 1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.85 2nt4 s LEU 95 Cb 0.08 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.65 2nt4 s LEU 95 CO 0.65 -1.99 1.35 0.11 0.23 0.00 0.00 176.35 176.70 2nt4 h LYS 96 N -0.97 0.78 -4.65 1.70 1.57 -1.86 -3.41 116.57 109.74 2nt4 h LYS 96 Ca -0.44 -0.54 -0.71 0.00 -1.87 0.00 0.00 60.65 57.09 2nt4 h LYS 96 Cb 1.23 0.08 -0.20 0.00 0.08 0.00 0.00 32.23 33.43 2nt4 h LYS 96 CO 0.52 1.17 -0.21 0.00 -0.57 0.00 0.00 179.45 180.36 2nt4 s ALA 97 N -3.99 3.47 0.32 3.86 0.00 -1.26 -5.00 121.76 119.17 2nt4 s ALA 97 Ca -0.11 -1.81 -0.09 0.00 0.00 0.00 0.00 51.96 49.94 2nt4 s ALA 97 Cb 0.09 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.10 2nt4 s ALA 97 CO 0.88 -1.74 0.56 -3.38 0.00 0.00 0.00 175.76 172.08 2nt4 s HIS 98 N 2.04 0.58 0.84 0.00 -3.43 -1.26 -4.59 115.29 109.48 2nt4 s HIS 98 Ca 0.09 -0.97 -0.11 0.00 -0.80 0.00 0.00 55.06 53.27 2nt4 s HIS 98 Cb -0.20 0.26 0.13 0.00 -1.43 0.00 0.00 32.58 31.33 2nt4 s HIS 98 CO 0.10 -1.21 1.19 0.00 -2.00 0.00 0.00 174.74 172.82 2nt4 s ALA 99 N -3.17 2.70 -0.12 -1.38 0.00 -1.26 -4.92 121.76 113.60 2nt4 s ALA 99 Ca 0.24 -1.07 0.13 0.00 0.00 0.00 0.00 51.96 51.26 2nt4 s ALA 99 Cb -0.02 -2.70 -0.24 0.00 0.00 0.00 0.00 23.12 20.17 2nt4 s ALA 99 CO 0.14 -1.90 0.36 -0.25 0.00 0.00 0.00 175.76 174.11 2nt4 n ASP 100 N -3.37 0.64 -4.00 0.00 8.00 -0.25 -4.98 116.55 112.59 2nt4 n ASP 100 Ca 0.12 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.73 2nt4 n ASP 100 Cb 0.60 0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.96 2nt4 n ASP 100 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2nt4 s GLU 101 N -2.55 1.51 -0.01 -1.24 0.41 -0.86 -5.00 118.70 110.96 2nt4 s GLU 101 Ca -0.09 -1.26 -0.01 0.00 -0.41 0.00 0.00 54.97 53.20 2nt4 s GLU 101 Cb 0.07 0.46 0.00 0.00 -1.78 0.00 0.00 34.13 32.88 2nt4 s GLU 101 CO 0.81 -0.62 0.03 0.71 -0.49 0.00 0.00 175.26 175.70 2nt4 s TYR 102 N -4.02 -0.02 -0.08 1.61 2.02 -1.26 -1.33 117.35 114.27 2nt4 s TYR 102 Ca 0.23 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.97 2nt4 s TYR 102 Cb -0.00 0.00 0.03 0.00 -0.40 0.00 0.00 41.96 41.59 2nt4 s TYR 102 CO 0.09 -0.02 -0.02 0.08 -1.57 0.00 0.00 175.55 174.10 2nt4 s VAL 103 N -0.06 0.55 0.34 0.71 1.01 0.18 -4.96 120.40 118.18 2nt4 s VAL 103 Ca -0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 2nt4 s VAL 103 Cb -0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 36.38 35.61 2nt4 s VAL 103 CO 0.00 0.28 1.38 0.00 0.00 0.00 0.00 175.10 176.76 2nt4 s ALA 104 N 1.70 3.53 0.29 5.51 0.00 -1.26 -2.71 121.76 128.83 2nt4 s ALA 104 Ca 0.02 1.39 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 2nt4 s ALA 104 Cb -0.13 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 2nt4 s ALA 104 CO -0.05 -0.81 0.91 0.15 0.00 0.00 0.00 175.76 175.97 2nt4 s LYS 105 N -1.84 4.59 0.08 0.00 1.02 0.07 -2.93 119.74 120.73 2nt4 s LYS 105 Ca 0.51 1.29 -0.31 0.00 0.02 0.00 0.00 55.97 57.48 2nt4 s LYS 105 Cb -0.42 -2.90 -0.08 0.00 -0.52 0.00 0.00 37.83 33.91 2nt4 s LYS 105 CO 0.56 0.34 1.52 -2.14 -0.92 0.00 0.00 175.35 174.71 2nt4 s PRO 106 N -1.88 4.25 -0.01 -1.68 0.02 -1.26 -4.65 135.00 129.79 2nt4 s PRO 106 Ca 0.47 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 2nt4 s PRO 106 Cb -0.20 -3.42 -0.03 0.00 0.02 0.00 0.00 34.50 30.88 2nt4 s PRO 106 CO 0.25 -0.60 0.92 0.08 -0.33 0.00 0.00 177.00 177.32 2nt4 s VAL 107 N 1.90 4.90 -0.14 3.83 1.01 -1.15 -5.04 120.40 125.72 2nt4 s VAL 107 Ca 0.69 1.93 -0.21 0.00 0.00 0.00 0.00 61.98 64.39 2nt4 s VAL 107 Cb -0.38 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 2nt4 s VAL 107 CO 0.30 0.18 0.60 -1.81 0.00 0.00 0.00 175.10 174.38 2nt4 s ASP 108 N 0.95 6.77 0.19 3.32 1.01 -1.26 -4.98 116.67 122.67 2nt4 s ASP 108 Ca 0.49 0.92 -0.11 0.00 0.71 0.00 0.00 52.55 54.56 2nt4 s ASP 108 Cb -0.20 -2.35 0.21 0.00 1.01 0.00 0.00 42.92 41.59 2nt4 s ASP 108 CO 0.26 -0.15 1.76 0.00 0.21 0.00 0.00 175.17 177.25 2nt4 h ALA 109 N 7.06 0.71 -0.82 5.23 0.00 -1.96 -0.84 119.26 128.65 2nt4 h ALA 109 Ca -0.37 0.05 0.15 0.00 0.00 0.00 0.00 54.91 54.74 2nt4 h ALA 109 Cb 1.17 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2nt4 h ALA 109 CO 0.76 -0.15 0.54 0.38 0.00 0.00 0.00 179.25 180.78 2nt4 h ASP 110 N 0.44 0.51 -0.13 0.00 2.03 -1.98 -0.42 116.42 116.88 2nt4 h ASP 110 Ca 0.26 0.03 -0.10 0.00 -0.73 0.00 0.00 57.03 56.49 2nt4 h ASP 110 Cb 0.26 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 2nt4 h ASP 110 CO -0.24 0.26 -0.32 -0.61 -1.03 0.00 0.00 179.24 177.30 2nt4 h GLN 111 N 0.54 0.44 -0.68 4.15 5.75 -1.57 -1.97 115.11 121.77 2nt4 h GLN 111 Ca 0.41 -0.31 0.07 0.00 -0.15 0.00 0.00 58.65 58.66 2nt4 h GLN 111 Cb 0.79 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.33 2nt4 h GLN 111 CO -0.16 0.92 0.37 1.25 -2.65 0.00 0.00 178.83 178.57 2nt4 h LEU 112 N 0.03 0.54 -0.64 -2.39 7.12 -1.12 -1.16 115.31 117.70 2nt4 h LEU 112 Ca -0.00 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 2nt4 h LEU 112 Cb 0.93 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.96 2nt4 h LEU 112 CO 0.07 0.34 0.38 0.58 -0.13 0.00 0.00 178.44 179.69 2nt4 h VAL 113 N 0.68 1.19 -0.33 1.05 2.07 -1.00 -1.08 116.25 118.83 2nt4 h VAL 113 Ca 0.31 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2nt4 h VAL 113 Cb 0.22 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2nt4 h VAL 113 CO -0.20 0.19 0.12 -0.08 0.02 0.00 0.00 177.57 177.62 2nt4 h GLU 114 N 0.86 0.26 -0.66 1.57 4.22 -0.71 -0.61 114.58 119.50 2nt4 h GLU 114 Ca 0.23 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.59 2nt4 h GLU 114 Cb -0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2nt4 h GLU 114 CO -0.04 0.17 0.16 0.00 -2.18 0.00 0.00 179.01 177.12 2nt4 h ARG 115 N 0.26 1.06 -0.10 1.92 2.47 -0.78 -1.30 114.38 117.93 2nt4 h ARG 115 Ca 0.15 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2nt4 h ARG 115 Cb 0.11 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2nt4 h ARG 115 CO -0.14 0.95 0.06 0.00 0.56 0.00 0.00 179.97 181.40 2nt4 h ALA 116 N 1.07 0.13 -0.52 0.04 0.00 -0.89 -2.44 119.26 116.64 2nt4 h ALA 116 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2nt4 h ALA 116 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2nt4 h ALA 116 CO 0.00 -0.36 0.33 0.78 0.00 0.00 0.00 179.25 180.00 2nt4 h GLY 117 N 0.10 0.73 2.00 0.00 0.00 -0.93 -1.97 103.07 103.01 2nt4 h GLY 117 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2nt4 h GLY 117 CO -0.01 0.28 -0.13 0.00 0.00 0.00 0.00 176.54 176.68 2nt4 h ALA 118 N 1.66 1.00 0.13 3.60 0.00 -1.02 0.23 119.26 124.85 2nt4 h ALA 118 Ca 0.19 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 2nt4 h ALA 118 Cb -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2nt4 h ALA 118 CO -0.04 0.17 -1.78 -0.07 0.00 0.00 0.00 179.25 177.52 2nt4 h LEU 119 N 0.00 0.42 -0.98 0.00 3.38 -0.90 -3.42 115.31 113.82 2nt4 h LEU 119 Ca -0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2nt4 h LEU 119 Cb 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2nt4 h LEU 119 CO 0.02 1.65 0.00 2.30 0.09 0.00 0.00 178.44 182.49 2nt4 n ILE 120 N -3.46 0.13 0.00 1.22 -5.35 -0.84 -5.07 119.36 105.99 2nt4 n ILE 120 Ca -0.24 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 2nt4 n ILE 120 Cb 1.06 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 40.17 2nt4 n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nt4 n GLY 121 N -0.06 -2.30 3.73 3.28 0.00 0.80 -4.96 105.19 105.68 2nt4 n GLY 121 Ca 0.00 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 2nt4 n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nt4 s PHE 122 N -2.80 3.43 -0.77 1.61 0.08 -1.26 -4.58 117.98 113.69 2nt4 s PHE 122 Ca 0.00 0.39 0.25 0.00 0.12 0.00 0.00 56.93 57.69 2nt4 s PHE 122 Cb 0.00 -2.19 0.93 0.00 -0.57 0.00 0.00 43.02 41.19 2nt4 s PHE 122 CO 0.00 0.29 1.76 -0.35 -0.10 0.00 0.00 175.22 176.83 2nt4 n PRO 123 N 3.48 0.16 0.00 0.24 -0.04 -1.26 -4.99 135.00 132.58 2nt4 n PRO 123 Ca -0.15 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2nt4 n PRO 123 Cb 0.52 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2nt4 n PRO 123 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61