#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nn3 s ARG 5 N 0.00 2.21 0.84 5.56 1.70 -1.26 -3.97 118.95 124.02 1nn3 s ARG 5 Ca 0.00 1.51 -0.12 0.00 -0.47 0.00 0.00 55.73 56.65 1nn3 s ARG 5 Cb 0.00 -1.87 0.09 0.00 -0.57 0.00 0.00 34.95 32.61 1nn3 s ARG 5 CO 0.00 -1.73 1.14 0.20 -1.08 0.00 0.00 175.30 173.83 1nn3 s GLY 6 N -2.54 1.60 0.22 3.88 0.00 -0.20 -4.81 107.32 105.47 1nn3 s GLY 6 Ca 0.69 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 1nn3 s GLY 6 CO 0.48 0.01 0.47 0.00 0.00 0.00 0.00 173.10 174.06 1nn3 s ALA 7 N -3.35 3.71 -0.37 3.20 0.00 -1.26 -4.84 121.76 118.84 1nn3 s ALA 7 Ca 0.62 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 1nn3 s ALA 7 Cb -0.13 -2.20 0.05 0.00 0.00 0.00 0.00 23.12 20.84 1nn3 s ALA 7 CO 0.52 0.44 0.19 -1.17 0.00 0.00 0.00 175.76 175.74 1nn3 s LEU 8 N -3.16 4.71 -0.18 0.00 2.96 -1.26 -0.99 118.68 120.76 1nn3 s LEU 8 Ca 0.42 -1.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 1nn3 s LEU 8 Cb -0.11 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1nn3 s LEU 8 CO 0.27 -0.41 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.18 1nn3 s ILE 9 N 1.46 3.20 -0.08 6.68 1.01 0.76 -0.41 121.20 133.82 1nn3 s ILE 9 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1nn3 s ILE 9 Cb -0.20 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1nn3 s ILE 9 CO 0.04 0.47 -0.06 -0.69 0.00 0.00 0.00 174.94 174.70 1nn3 s VAL 10 N 0.98 3.77 -0.18 2.92 1.01 -0.49 -0.35 120.40 128.05 1nn3 s VAL 10 Ca -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1nn3 s VAL 10 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1nn3 s VAL 10 CO -0.00 0.59 -0.03 -0.76 0.00 0.00 0.00 175.10 174.90 1nn3 s LEU 11 N -0.73 3.13 0.32 3.92 1.02 0.26 -0.67 118.68 125.94 1nn3 s LEU 11 Ca 0.11 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.08 1nn3 s LEU 11 Cb -0.11 -1.77 -0.06 0.00 0.02 0.00 0.00 46.19 44.26 1nn3 s LEU 11 CO 0.02 0.09 0.03 -1.61 0.02 0.00 0.00 176.35 174.89 1nn3 s GLU 12 N 0.84 1.66 0.00 1.70 0.41 0.27 -1.33 118.70 122.25 1nn3 s GLU 12 Ca -0.01 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 1nn3 s GLU 12 Cb -0.14 -1.00 0.00 0.00 -1.78 0.00 0.00 34.13 31.20 1nn3 s GLU 12 CO 0.02 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 1nn3 n GLY 13 N -0.69 2.91 3.55 -1.39 0.00 -1.26 -0.71 105.19 107.60 1nn3 n GLY 13 Ca -0.03 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 1nn3 n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nn3 s VAL 14 N -2.00 1.72 0.31 1.61 -7.23 -1.26 -4.92 120.40 108.63 1nn3 s VAL 14 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 1nn3 s VAL 14 Cb 0.00 -2.34 -0.12 0.00 0.56 0.00 0.00 36.38 34.48 1nn3 s VAL 14 CO 0.00 0.00 1.51 0.47 -0.31 0.00 0.00 175.10 176.77 1nn3 n ASP 15 N -4.79 3.59 -0.28 4.85 9.92 -1.26 -3.64 116.55 124.94 1nn3 n ASP 15 Ca 0.09 1.18 -0.04 0.00 -0.53 0.00 0.00 54.79 55.49 1nn3 n ASP 15 Cb 0.58 -1.57 -0.02 0.00 -0.64 0.00 0.00 41.12 39.48 1nn3 n ASP 15 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1nn3 n ARG 16 N 1.50 -0.38 0.18 -1.24 1.74 -1.26 -4.92 116.66 112.28 1nn3 n ARG 16 Ca 0.06 0.53 0.07 0.00 -0.77 0.00 0.00 57.85 57.75 1nn3 n ARG 16 Cb 0.37 -4.14 0.11 0.00 -1.02 0.00 0.00 32.46 27.78 1nn3 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nn3 h ALA 17 N 0.00 0.84 0.00 7.54 0.00 -1.89 -3.47 119.26 122.28 1nn3 h ALA 17 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nn3 h ALA 17 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nn3 h ALA 17 CO 0.11 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1nn3 n GLY 18 N 1.12 1.59 0.16 0.00 0.00 -1.26 -4.86 105.19 101.94 1nn3 n GLY 18 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1nn3 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nn3 h LYS 19 N 0.00 -0.19 -0.25 1.61 1.57 -1.90 0.16 116.57 117.56 1nn3 h LYS 19 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1nn3 h LYS 19 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1nn3 h LYS 19 CO 0.00 -0.13 -0.05 0.77 -0.57 0.00 0.00 179.45 179.47 1nn3 h SER 20 N -0.20 0.49 -0.24 0.86 0.02 -1.96 0.55 113.55 113.06 1nn3 h SER 20 Ca 0.04 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1nn3 h SER 20 Cb 0.26 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1nn3 h SER 20 CO -0.12 0.74 0.09 0.74 -1.14 0.00 0.00 176.83 177.14 1nn3 h THR 21 N 0.24 0.95 0.00 -2.27 2.02 -1.95 -1.81 112.91 110.10 1nn3 h THR 21 Ca 0.07 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1nn3 h THR 21 Cb 0.52 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1nn3 h THR 21 CO 0.02 0.04 -0.43 1.56 0.37 0.00 0.00 175.52 177.08 1nn3 h GLN 22 N 0.21 0.00 -0.36 6.66 1.08 -0.62 -1.58 115.11 120.51 1nn3 h GLN 22 Ca 0.10 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 1nn3 h GLN 22 Cb 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1nn3 h GLN 22 CO -0.10 0.43 -0.16 0.66 -0.95 0.00 0.00 178.83 178.71 1nn3 h SER 23 N 0.00 0.78 -0.35 1.46 4.64 -0.64 0.48 113.55 119.92 1nn3 h SER 23 Ca -0.00 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1nn3 h SER 23 Cb 0.84 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1nn3 h SER 23 CO 0.06 1.00 0.13 0.03 -0.87 0.00 0.00 176.83 177.18 1nn3 h ARG 24 N 0.55 0.53 -0.24 4.77 3.08 -1.22 -2.00 114.38 119.83 1nn3 h ARG 24 Ca 0.08 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1nn3 h ARG 24 Cb 0.70 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1nn3 h ARG 24 CO 0.05 0.53 -0.23 0.87 -1.07 0.00 0.00 179.97 180.13 1nn3 h LYS 25 N 0.41 0.45 -0.05 0.04 1.57 -1.20 -2.25 116.57 115.54 1nn3 h LYS 25 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1nn3 h LYS 25 Cb 0.21 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1nn3 h LYS 25 CO -0.01 0.65 0.00 1.25 -0.57 0.00 0.00 179.45 180.78 1nn3 h LEU 26 N 0.40 0.09 -0.71 2.94 5.85 -0.64 -1.01 115.31 122.24 1nn3 h LEU 26 Ca 0.06 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1nn3 h LEU 26 Cb 0.62 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1nn3 h LEU 26 CO 0.04 0.35 0.41 0.58 -0.34 0.00 0.00 178.44 179.49 1nn3 h VAL 27 N -0.18 1.00 -0.24 1.05 2.07 -1.22 0.56 116.25 119.29 1nn3 h VAL 27 Ca 0.02 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1nn3 h VAL 27 Cb 0.31 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1nn3 h VAL 27 CO 0.00 0.14 0.15 -0.08 0.02 0.00 0.00 177.57 177.80 1nn3 h GLU 28 N 0.76 0.29 -0.52 1.57 4.81 -1.27 -1.00 114.58 119.22 1nn3 h GLU 28 Ca 0.31 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1nn3 h GLU 28 Cb 0.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1nn3 h GLU 28 CO -0.17 0.19 -0.08 0.00 -0.73 0.00 0.00 179.01 178.22 1nn3 h ALA 29 N 1.10 0.71 -0.42 2.92 0.00 -0.76 -1.22 119.26 121.59 1nn3 h ALA 29 Ca 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1nn3 h ALA 29 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1nn3 h ALA 29 CO -0.03 0.60 0.20 -0.07 0.00 0.00 0.00 179.25 179.94 1nn3 h LEU 30 N 0.84 0.56 -1.10 0.00 3.38 -0.69 -2.09 115.31 116.20 1nn3 h LEU 30 Ca 0.14 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1nn3 h LEU 30 Cb 0.64 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1nn3 h LEU 30 CO 0.04 0.54 -0.07 0.00 0.09 0.00 0.00 178.44 179.04 1nn3 h ALA 32 N 1.41 1.00 -0.52 0.00 0.00 -0.96 -1.94 119.26 118.25 1nn3 h ALA 32 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nn3 h ALA 32 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nn3 h ALA 32 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1nn3 n ALA 33 N -2.07 3.40 -0.64 0.00 0.00 -0.77 -4.93 120.51 115.50 1nn3 n ALA 33 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1nn3 n ALA 33 Cb 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1nn3 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nn3 n GLY 34 N 0.75 0.82 3.88 0.00 0.00 -0.73 -5.04 105.19 104.87 1nn3 n GLY 34 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1nn3 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nn3 s HIS 35 N -3.27 3.59 -0.42 1.61 4.02 -0.61 -5.00 115.29 115.20 1nn3 s HIS 35 Ca 0.00 1.14 -0.17 0.00 1.02 0.00 0.00 55.06 57.05 1nn3 s HIS 35 Cb 0.00 -2.58 0.02 0.00 -1.02 0.00 0.00 32.58 29.00 1nn3 s HIS 35 CO 0.00 -0.50 0.43 1.03 1.02 0.00 0.00 174.74 176.71 1nn3 s ARG 36 N -4.87 3.08 0.01 1.40 0.52 -1.26 -3.98 118.95 113.84 1nn3 s ARG 36 Ca 0.53 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.94 1nn3 s ARG 36 Cb -0.11 -3.97 -0.01 0.00 0.52 0.00 0.00 34.95 31.38 1nn3 s ARG 36 CO 0.48 -0.85 0.00 0.00 0.02 0.00 0.00 175.30 174.95 1nn3 s ALA 37 N 2.09 0.02 0.03 2.13 0.00 -1.26 -0.92 121.76 123.85 1nn3 s ALA 37 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1nn3 s ALA 37 Cb -0.17 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1nn3 s ALA 37 CO 0.13 -0.10 -0.04 -1.21 0.00 0.00 0.00 175.76 174.54 1nn3 s GLU 38 N -0.84 0.40 -0.05 0.00 2.02 -0.04 -4.87 118.70 115.31 1nn3 s GLU 38 Ca -0.09 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.01 1nn3 s GLU 38 Cb -0.06 0.07 -0.05 0.00 0.10 0.00 0.00 34.13 34.19 1nn3 s GLU 38 CO -0.00 -0.05 0.38 -1.17 0.02 0.00 0.00 175.26 174.44 1nn3 s LEU 39 N -1.75 4.41 0.16 1.80 2.96 -1.26 -0.98 118.68 124.02 1nn3 s LEU 39 Ca -0.11 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 54.68 1nn3 s LEU 39 Cb -0.07 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 1nn3 s LEU 39 CO -0.02 0.25 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.41 1nn3 s LEU 40 N -0.61 2.49 0.06 -0.68 1.43 0.39 -4.95 118.68 116.81 1nn3 s LEU 40 Ca 0.22 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1nn3 s LEU 40 Cb -0.16 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1nn3 s LEU 40 CO 0.11 -0.35 0.12 0.00 0.23 0.00 0.00 176.35 176.46 1nn3 s ARG 41 N -3.76 0.69 -0.02 1.70 3.03 -1.26 -1.31 118.95 118.02 1nn3 s ARG 41 Ca 0.19 -0.87 0.02 0.00 2.03 0.00 0.00 55.73 57.10 1nn3 s ARG 41 Cb 0.03 0.27 -0.00 0.00 -1.03 0.00 0.00 34.95 34.22 1nn3 s ARG 41 CO 0.02 -0.19 -0.08 -0.06 -1.13 0.00 0.00 175.30 173.86 1nn3 s PHE 42 N -3.19 0.82 0.54 5.89 0.40 -0.53 -3.34 117.98 118.57 1nn3 s PHE 42 Ca -0.00 -0.18 -0.20 0.00 -0.60 0.00 0.00 56.93 55.95 1nn3 s PHE 42 Cb 0.02 -0.56 -0.06 0.00 0.51 0.00 0.00 43.02 42.93 1nn3 s PHE 42 CO -0.07 -0.05 1.14 -1.25 0.70 0.00 0.00 175.22 175.68 1nn3 s PRO 43 N 0.01 3.38 -0.74 0.24 0.04 -1.26 -4.60 135.00 132.07 1nn3 s PRO 43 Ca 0.00 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 1nn3 s PRO 43 Cb -0.06 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.54 1nn3 s PRO 43 CO -0.00 -0.83 0.97 -2.00 0.04 0.00 0.00 177.00 175.18 1nn3 s GLU 44 N -3.22 3.28 0.00 4.56 2.56 -1.21 -4.91 118.70 119.75 1nn3 s GLU 44 Ca 0.72 -1.26 0.23 0.00 0.00 0.00 0.00 54.97 54.65 1nn3 s GLU 44 Cb -0.25 -4.48 1.28 0.00 2.00 0.00 0.00 34.13 32.69 1nn3 s GLU 44 CO 0.28 -1.75 1.73 0.54 -0.56 0.00 0.00 175.26 175.50 1nn3 n ARG 45 N 7.02 0.58 0.16 4.30 1.74 -1.26 -3.69 116.66 125.51 1nn3 n ARG 45 Ca 0.05 0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 1nn3 n ARG 45 Cb 0.46 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.47 1nn3 n ARG 45 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1nn3 h SER 46 N 0.00 0.00 -4.07 0.55 4.64 -1.91 -3.02 113.55 109.74 1nn3 h SER 46 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1nn3 h SER 46 Cb 0.07 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.26 1nn3 h SER 46 CO 0.00 0.28 0.34 0.42 -0.87 0.00 0.00 176.83 177.00 1nn3 s THR 47 N -3.08 2.09 0.16 2.95 -4.23 -1.24 -4.79 115.64 107.51 1nn3 s THR 47 Ca 0.04 -0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.27 1nn3 s THR 47 Cb 0.07 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 71.01 1nn3 s THR 47 CO 0.73 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 176.16 1nn3 h GLU 48 N -1.02 0.04 -0.54 3.99 5.08 -1.93 0.35 114.58 120.56 1nn3 h GLU 48 Ca -0.45 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1nn3 h GLU 48 Cb 1.30 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1nn3 h GLU 48 CO 0.56 0.03 0.23 0.82 -1.00 0.00 0.00 179.01 179.65 1nn3 h ILE 49 N 0.05 1.21 -0.28 3.13 2.04 -1.93 -2.71 117.51 119.02 1nn3 h ILE 49 Ca 0.19 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1nn3 h ILE 49 Cb 0.28 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1nn3 h ILE 49 CO -0.36 0.25 0.06 1.23 0.00 0.00 0.00 178.15 179.32 1nn3 h GLY 50 N 0.72 0.43 1.33 5.37 0.00 -1.44 -1.27 103.07 108.21 1nn3 h GLY 50 Ca 0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1nn3 h GLY 50 CO -0.02 0.20 -0.14 0.50 0.00 0.00 0.00 176.54 177.08 1nn3 h LYS 51 N 0.40 0.79 -0.61 4.80 1.57 -0.03 0.72 116.57 124.22 1nn3 h LYS 51 Ca 0.10 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1nn3 h LYS 51 Cb 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1nn3 h LYS 51 CO -0.00 0.89 0.07 -0.07 -0.57 0.00 0.00 179.45 179.76 1nn3 h LEU 52 N 0.71 0.97 -0.61 2.94 3.38 -1.11 -1.36 115.31 120.22 1nn3 h LEU 52 Ca 0.11 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1nn3 h LEU 52 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1nn3 h LEU 52 CO 0.04 0.98 -0.28 -0.07 0.09 0.00 0.00 178.44 179.21 1nn3 h LEU 53 N 0.94 0.83 -0.52 1.67 3.38 -0.90 -1.79 115.31 118.93 1nn3 h LEU 53 Ca 0.18 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1nn3 h LEU 53 Cb 0.45 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1nn3 h LEU 53 CO 0.02 1.05 -0.10 -1.28 0.09 0.00 0.00 178.44 178.22 1nn3 h SER 54 N 0.69 0.99 -0.72 -0.43 0.87 -0.70 -1.21 113.55 113.04 1nn3 h SER 54 Ca 0.08 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 1nn3 h SER 54 Cb 0.81 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1nn3 h SER 54 CO 0.07 1.11 0.35 -1.28 -0.53 0.00 0.00 176.83 176.54 1nn3 h SER 55 N 0.85 0.94 -0.10 6.23 0.87 -1.13 -0.87 113.55 120.35 1nn3 h SER 55 Ca 0.13 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nn3 h SER 55 Cb 0.66 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1nn3 h SER 55 CO 0.05 0.81 0.07 0.22 -0.53 0.00 0.00 176.83 177.44 1nn3 h TYR 56 N 1.00 0.13 -0.12 2.24 3.20 -1.11 -1.11 116.97 121.20 1nn3 h TYR 56 Ca 0.25 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1nn3 h TYR 56 Cb 0.12 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1nn3 h TYR 56 CO 0.01 0.08 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.45 1nn3 h LEU 57 N 0.14 0.17 -0.00 2.82 3.38 -0.91 -1.25 115.31 119.66 1nn3 h LEU 57 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nn3 h LEU 57 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1nn3 h LEU 57 CO -0.01 0.29 -0.00 0.00 0.09 0.00 0.00 178.44 178.81 1nn3 n GLN 58 N -4.34 0.38 -1.33 1.13 6.02 -0.36 -0.48 117.38 118.41 1nn3 n GLN 58 Ca -0.01 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.90 1nn3 n GLN 58 Cb 0.22 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 1nn3 n GLN 58 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nn3 n LYS 59 N -1.31 -0.55 0.11 -1.09 5.02 -0.47 -4.88 118.16 114.99 1nn3 n LYS 59 Ca 0.13 0.73 0.12 0.00 -2.02 0.00 0.00 58.31 57.28 1nn3 n LYS 59 Cb 0.25 -4.58 0.22 0.00 -0.02 0.00 0.00 35.03 30.91 1nn3 n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1nn3 h LYS 60 N 0.00 0.00 -3.68 1.97 1.57 -1.43 -3.46 116.57 111.53 1nn3 h LYS 60 Ca -0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1nn3 h LYS 60 Cb 0.58 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.74 1nn3 h LYS 60 CO 0.23 0.00 -0.37 -1.54 -0.57 0.00 0.00 179.45 177.21 1nn3 s SER 61 N -4.88 0.07 -0.07 0.86 1.04 -1.17 -4.97 113.70 104.57 1nn3 s SER 61 Ca 0.07 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1nn3 s SER 61 Cb 0.11 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1nn3 s SER 61 CO 0.68 -0.66 -0.08 -1.81 0.98 0.00 0.00 173.24 172.35 1nn3 s ASP 62 N -2.53 4.58 -0.02 7.02 1.01 -1.26 -4.35 116.67 121.12 1nn3 s ASP 62 Ca 0.01 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1nn3 s ASP 62 Cb 0.02 -1.19 0.01 0.00 1.01 0.00 0.00 42.92 42.77 1nn3 s ASP 62 CO -0.08 0.34 -0.04 -0.69 0.21 0.00 0.00 175.17 174.91 1nn3 s VAL 63 N -0.69 0.42 0.31 -1.27 1.01 -1.26 -5.06 120.40 113.85 1nn3 s VAL 63 Ca 0.10 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1nn3 s VAL 63 Cb -0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 36.38 35.73 1nn3 s VAL 63 CO 0.02 0.15 1.20 1.21 0.00 0.00 0.00 175.10 177.68 1nn3 n GLU 64 N 3.44 1.82 -0.19 2.72 0.00 -1.26 -4.71 120.64 122.45 1nn3 n GLU 64 Ca -0.19 0.64 0.02 0.00 0.00 0.00 0.00 57.16 57.63 1nn3 n GLU 64 Cb 0.55 -2.15 0.29 0.00 0.00 0.00 0.00 31.44 30.12 1nn3 n GLU 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1nn3 h ASP 65 N 2.59 0.78 -0.07 4.31 3.45 -2.00 -0.15 116.42 125.33 1nn3 h ASP 65 Ca -0.44 -0.01 -0.18 0.00 0.43 0.00 0.00 57.03 56.83 1nn3 h ASP 65 Cb 1.30 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 39.90 1nn3 h ASP 65 CO 0.64 0.55 -0.66 0.45 -1.57 0.00 0.00 179.24 178.65 1nn3 h HIS 66 N 0.92 0.79 -0.39 4.55 3.86 -2.00 -2.45 115.15 120.43 1nn3 h HIS 66 Ca 0.28 -0.38 0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1nn3 h HIS 66 Cb -0.02 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 1nn3 h HIS 66 CO -0.00 1.19 0.17 0.77 0.86 0.00 0.00 177.93 180.92 1nn3 h SER 67 N 0.17 0.23 -0.35 2.45 0.02 -1.79 -1.37 113.55 112.91 1nn3 h SER 67 Ca -0.06 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1nn3 h SER 67 Cb 1.32 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 1nn3 h SER 67 CO 0.13 0.17 -0.07 1.62 -1.14 0.00 0.00 176.83 177.54 1nn3 h VAL 68 N 0.35 1.25 -0.57 2.27 3.04 -1.06 -0.69 116.25 120.84 1nn3 h VAL 68 Ca 0.17 -1.10 0.06 0.00 -1.01 0.00 0.00 66.70 64.82 1nn3 h VAL 68 Cb 0.11 0.99 -0.05 0.00 -2.01 0.00 0.00 31.29 30.33 1nn3 h VAL 68 CO -0.15 0.38 0.29 -0.74 -1.01 0.00 0.00 177.57 176.34 1nn3 h HIS 69 N 0.70 0.53 -0.23 3.17 6.17 -1.06 -0.51 115.15 123.91 1nn3 h HIS 69 Ca 0.13 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.13 1nn3 h HIS 69 Cb 0.53 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.30 1nn3 h HIS 69 CO 0.03 0.25 -0.29 -0.07 0.71 0.00 0.00 177.93 178.55 1nn3 h LEU 70 N 0.55 0.46 -0.55 0.26 3.38 -0.71 -2.16 115.31 116.55 1nn3 h LEU 70 Ca 0.26 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1nn3 h LEU 70 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1nn3 h LEU 70 CO -0.18 0.74 0.22 -0.07 0.09 0.00 0.00 178.44 179.23 1nn3 h LEU 71 N 0.40 0.77 -1.08 1.67 3.38 -0.61 0.16 115.31 120.00 1nn3 h LEU 71 Ca 0.05 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1nn3 h LEU 71 Cb 0.72 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1nn3 h LEU 71 CO 0.05 0.73 0.62 -0.26 0.09 0.00 0.00 178.44 179.68 1nn3 h PHE 72 N 0.76 1.17 -0.17 1.13 -1.00 -0.67 0.33 116.94 118.49 1nn3 h PHE 72 Ca 0.18 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.90 1nn3 h PHE 72 Cb 0.21 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 1nn3 h PHE 72 CO 0.01 0.71 -0.25 1.03 -1.61 0.00 0.00 178.31 178.19 1nn3 h SER 73 N 1.23 0.52 -0.62 2.17 0.87 -1.00 -2.99 113.55 113.72 1nn3 h SER 73 Ca 0.36 -0.52 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1nn3 h SER 73 Cb -0.06 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 1nn3 h SER 73 CO -0.10 0.94 0.42 0.00 -0.53 0.00 0.00 176.83 177.56 1nn3 h ALA 74 N 0.60 1.98 -0.09 6.23 0.00 -0.30 -0.50 119.26 127.18 1nn3 h ALA 74 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1nn3 h ALA 74 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1nn3 h ALA 74 CO 0.06 -0.11 -0.19 -0.97 0.00 0.00 0.00 179.25 178.03 1nn3 h ASN 75 N 0.45 0.14 0.02 0.00 -0.00 -0.80 -0.59 115.58 114.79 1nn3 h ASN 75 Ca 0.29 -0.03 -0.14 0.00 -0.00 0.00 0.00 56.30 56.42 1nn3 h ASN 75 Cb 0.52 -0.04 0.01 0.00 -0.00 0.00 0.00 38.32 38.82 1nn3 h ASN 75 CO -0.08 0.34 -0.55 0.03 -0.00 0.00 0.00 177.43 177.16 1nn3 h ARG 76 N 0.13 0.35 -0.09 6.67 3.08 -1.02 -3.32 114.38 120.18 1nn3 h ARG 76 Ca 0.03 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1nn3 h ARG 76 Cb 0.42 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1nn3 h ARG 76 CO 0.03 1.09 -0.03 -1.49 -1.07 0.00 0.00 179.97 178.49 1nn3 h TRP 77 N -0.22 0.13 0.00 3.04 4.06 -0.81 -0.87 115.95 121.27 1nn3 h TRP 77 Ca -0.07 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 1nn3 h TRP 77 Cb 1.29 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1nn3 h TRP 77 CO 0.16 0.17 -0.05 1.05 -3.56 0.00 0.00 178.44 176.21 1nn3 h GLU 78 N 0.13 0.00 -0.01 0.49 4.11 -1.22 -1.10 114.58 116.98 1nn3 h GLU 78 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1nn3 h GLU 78 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1nn3 h GLU 78 CO 0.01 0.05 -0.24 1.04 0.07 0.00 0.00 179.01 179.93 1nn3 n GLN 79 N -3.22 1.30 -0.21 1.06 1.13 -0.34 -4.47 117.38 112.63 1nn3 n GLN 79 Ca -0.01 -0.92 -0.06 0.00 -1.94 0.00 0.00 57.00 54.07 1nn3 n GLN 79 Cb 0.25 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.15 1nn3 n GLN 79 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1nn3 h VAL 80 N 2.25 1.17 -0.85 5.09 2.07 -1.06 -0.07 116.25 124.86 1nn3 h VAL 80 Ca 0.00 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1nn3 h VAL 80 Cb 0.65 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1nn3 h VAL 80 CO 0.00 0.18 0.52 -0.65 0.02 0.00 0.00 177.57 177.64 1nn3 h PRO 81 N 0.80 0.89 -0.28 1.57 0.11 -1.78 0.29 132.00 133.59 1nn3 h PRO 81 Ca 0.21 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1nn3 h PRO 81 Cb -0.02 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1nn3 h PRO 81 CO -0.04 0.59 -0.00 1.25 -0.21 0.00 0.00 178.00 179.59 1nn3 h LEU 82 N 0.92 0.49 -0.41 2.35 5.85 -1.78 -0.84 115.31 121.89 1nn3 h LEU 82 Ca 0.38 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1nn3 h LEU 82 Cb 0.23 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1nn3 h LEU 82 CO -0.20 0.68 0.18 0.40 -0.34 0.00 0.00 178.44 179.16 1nn3 h ILE 83 N 0.28 0.94 -0.22 4.05 2.04 -0.41 0.65 117.51 124.85 1nn3 h ILE 83 Ca 0.08 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 1nn3 h ILE 83 Cb 0.43 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1nn3 h ILE 83 CO 0.01 0.07 -0.39 0.11 0.00 0.00 0.00 178.15 177.96 1nn3 h LYS 84 N 0.37 0.50 -0.24 2.37 1.57 -0.78 -1.68 116.57 118.69 1nn3 h LYS 84 Ca 0.18 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1nn3 h LYS 84 Cb 0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1nn3 h LYS 84 CO -0.14 0.81 0.02 1.49 -0.57 0.00 0.00 179.45 181.06 1nn3 h GLU 85 N 0.42 0.40 -0.36 3.15 4.81 -0.78 -0.90 114.58 121.32 1nn3 h GLU 85 Ca 0.04 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1nn3 h GLU 85 Cb 0.86 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1nn3 h GLU 85 CO 0.07 0.55 0.16 0.87 -0.73 0.00 0.00 179.01 179.94 1nn3 h LYS 86 N 0.19 0.53 -0.79 1.92 1.79 -0.73 -1.33 116.57 118.15 1nn3 h LYS 86 Ca 0.07 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1nn3 h LYS 86 Cb 0.36 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 1nn3 h LYS 86 CO 0.01 0.49 0.45 -0.07 -1.08 0.00 0.00 179.45 179.25 1nn3 h LEU 87 N 0.44 0.96 -1.60 2.94 3.38 -1.25 -0.76 115.31 119.42 1nn3 h LEU 87 Ca 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1nn3 h LEU 87 Cb 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1nn3 h LEU 87 CO -0.01 0.77 -0.12 0.77 0.09 0.00 0.00 178.44 179.94 1nn3 h SER 88 N 1.08 0.00 -0.14 -0.43 4.64 -0.66 -0.06 113.55 117.99 1nn3 h SER 88 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1nn3 h SER 88 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nn3 h SER 88 CO -0.05 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1nn3 n GLN 89 N -3.36 1.51 -0.44 4.77 6.02 -0.55 -4.68 117.38 120.66 1nn3 n GLN 89 Ca -0.01 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1nn3 n GLN 89 Cb 0.31 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1nn3 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nn3 n GLY 90 N 1.00 0.78 3.68 1.08 0.00 -0.26 -4.93 105.19 106.54 1nn3 n GLY 90 Ca 0.14 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1nn3 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nn3 s VAL 91 N -2.00 5.19 0.13 1.61 1.01 -0.37 -4.13 120.40 121.84 1nn3 s VAL 91 Ca 0.00 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1nn3 s VAL 91 Cb 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1nn3 s VAL 91 CO 0.00 0.26 0.90 -0.89 0.00 0.00 0.00 175.10 175.37 1nn3 s THR 92 N 1.19 4.43 -0.13 3.92 2.01 -0.09 -3.76 115.64 123.21 1nn3 s THR 92 Ca 0.21 1.96 -0.00 0.00 0.31 0.00 0.00 61.69 64.17 1nn3 s THR 92 Cb -0.15 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 1nn3 s THR 92 CO 0.08 0.39 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.52 1nn3 s LEU 93 N -0.40 2.74 -0.23 4.42 1.43 -0.16 -0.86 118.68 125.61 1nn3 s LEU 93 Ca 0.43 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1nn3 s LEU 93 Cb -0.23 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1nn3 s LEU 93 CO 0.29 0.16 0.02 -0.69 0.23 0.00 0.00 176.35 176.36 1nn3 s VAL 94 N 0.36 3.87 -0.20 -1.59 1.01 -0.15 -0.17 120.40 123.52 1nn3 s VAL 94 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1nn3 s VAL 94 Cb -0.16 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1nn3 s VAL 94 CO 0.05 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.70 1nn3 s VAL 95 N 1.51 2.38 -0.75 2.92 1.01 0.52 -0.46 120.40 127.53 1nn3 s VAL 95 Ca 0.06 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1nn3 s VAL 95 Cb -0.15 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.23 1nn3 s VAL 95 CO 0.00 0.42 1.08 -0.62 0.00 0.00 0.00 175.10 175.99 1nn3 s ASP 96 N 1.30 6.28 0.05 3.32 -1.08 -0.43 -0.57 116.67 125.53 1nn3 s ASP 96 Ca 0.03 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.93 1nn3 s ASP 96 Cb -0.14 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1nn3 s ASP 96 CO -0.10 -1.44 0.00 0.54 0.52 0.00 0.00 175.17 174.69 1nn3 n ARG 97 N 7.86 -0.35 0.00 4.34 1.74 -0.44 -1.45 116.66 128.37 1nn3 n ARG 97 Ca 0.05 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1nn3 n ARG 97 Cb 0.47 -0.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 1nn3 n ARG 97 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1nn3 n TYR 98 N -1.31 0.00 0.28 -1.55 9.36 -1.26 -3.70 117.16 118.97 1nn3 n TYR 98 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 1nn3 n TYR 98 Cb 0.02 0.00 0.79 0.00 -0.63 0.00 0.00 39.34 39.52 1nn3 n TYR 98 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nn3 h ALA 99 N 1.51 1.51 -0.46 2.98 0.00 -1.99 -2.56 119.26 120.26 1nn3 h ALA 99 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1nn3 h ALA 99 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nn3 h ALA 99 CO 0.00 0.07 0.00 0.74 0.00 0.00 0.00 179.25 180.06 1nn3 h PHE 100 N 0.00 0.88 -0.67 0.00 -1.00 -1.99 -0.77 116.94 113.39 1nn3 h PHE 100 Ca -0.00 -0.15 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 1nn3 h PHE 100 Cb 0.14 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 1nn3 h PHE 100 CO 0.00 0.85 0.25 0.77 -1.61 0.00 0.00 178.31 178.57 1nn3 h SER 101 N 0.66 0.92 -0.46 2.17 0.02 -1.86 0.29 113.55 115.30 1nn3 h SER 101 Ca 0.13 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1nn3 h SER 101 Cb 0.50 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1nn3 h SER 101 CO 0.02 0.83 0.22 1.23 -1.14 0.00 0.00 176.83 178.00 1nn3 h GLY 102 N 1.05 0.63 1.00 -3.77 0.00 -1.16 -1.12 103.07 99.70 1nn3 h GLY 102 Ca 0.22 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1nn3 h GLY 102 CO -0.02 0.10 -0.42 -2.08 0.00 0.00 0.00 176.54 174.12 1nn3 h VAL 103 N 0.44 1.31 -0.58 4.60 2.07 -0.88 -2.94 116.25 120.28 1nn3 h VAL 103 Ca 0.20 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 1nn3 h VAL 103 Cb 0.12 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1nn3 h VAL 103 CO -0.15 0.52 0.09 0.00 0.02 0.00 0.00 177.57 178.05 1nn3 h ALA 104 N 0.64 0.77 -0.04 1.67 0.00 -0.66 0.11 119.26 121.73 1nn3 h ALA 104 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1nn3 h ALA 104 Cb 1.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1nn3 h ALA 104 CO 0.10 0.52 -0.11 0.74 0.00 0.00 0.00 179.25 180.49 1nn3 h PHE 105 N 0.85 0.19 -0.09 0.00 -1.00 -1.31 -2.00 116.94 113.60 1nn3 h PHE 105 Ca 0.17 -0.07 -0.11 0.00 2.81 0.00 0.00 57.97 60.77 1nn3 h PHE 105 Cb 0.43 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1nn3 h PHE 105 CO 0.03 0.72 -0.44 1.15 -1.61 0.00 0.00 178.31 178.16 1nn3 h THR 106 N -0.39 1.32 0.00 -1.55 2.02 -1.54 -2.88 112.91 109.89 1nn3 h THR 106 Ca -0.00 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1nn3 h THR 106 Cb 0.72 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1nn3 h THR 106 CO 0.02 0.47 -0.05 1.23 0.37 0.00 0.00 175.52 177.56 1nn3 h GLY 107 N 1.27 0.00 2.00 2.16 0.00 -0.78 -0.79 103.07 106.92 1nn3 h GLY 107 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1nn3 h GLY 107 CO 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.59 1nn3 h ALA 108 N 1.95 1.00 -2.38 3.60 0.00 -1.13 -3.45 119.26 118.85 1nn3 h ALA 108 Ca -0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 1nn3 h ALA 108 Cb 0.33 -0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.20 1nn3 h ALA 108 CO 0.01 0.02 0.40 0.15 0.00 0.00 0.00 179.25 179.82 1nn3 s LYS 109 N -3.52 3.12 0.33 0.00 1.02 -0.31 -4.88 119.74 115.50 1nn3 s LYS 109 Ca 0.03 0.74 -0.28 0.00 0.02 0.00 0.00 55.97 56.47 1nn3 s LYS 109 Cb 0.08 -2.03 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 1nn3 s LYS 109 CO 0.59 -0.91 1.22 -1.83 -0.92 0.00 0.00 175.35 173.49 1nn3 s GLU 110 N -5.18 4.39 -1.25 1.68 4.04 -1.26 -3.59 118.70 117.53 1nn3 s GLU 110 Ca 0.57 2.02 -0.08 0.00 0.04 0.00 0.00 54.97 57.52 1nn3 s GLU 110 Cb -0.12 -3.03 0.01 0.00 0.02 0.00 0.00 34.13 31.00 1nn3 s GLU 110 CO 0.54 -0.09 1.02 0.09 -1.84 0.00 0.00 175.26 174.98 1nn3 n ASN 111 N 0.78 -5.97 -3.95 0.83 3.02 -1.26 -5.00 115.26 103.71 1nn3 n ASN 111 Ca 0.00 -0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 53.78 1nn3 n ASN 111 Cb 0.44 -4.61 -0.15 0.00 -0.61 0.00 0.00 39.78 34.85 1nn3 n ASN 111 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1nn3 s PHE 112 N -3.27 2.68 0.51 3.10 0.40 -1.24 -5.12 117.98 115.04 1nn3 s PHE 112 Ca 0.51 -2.05 -0.19 0.00 -0.60 0.00 0.00 56.93 54.59 1nn3 s PHE 112 Cb -0.22 -1.88 -0.07 0.00 0.51 0.00 0.00 43.02 41.35 1nn3 s PHE 112 CO 0.63 -0.83 1.05 -1.54 0.70 0.00 0.00 175.22 175.22 1nn3 s SER 113 N 1.29 6.20 0.23 1.36 1.04 -1.26 -4.71 113.70 117.86 1nn3 s SER 113 Ca -0.02 1.93 -0.08 0.00 0.48 0.00 0.00 55.95 58.27 1nn3 s SER 113 Cb -0.19 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.58 1nn3 s SER 113 CO -0.08 -0.88 1.88 0.25 0.98 0.00 0.00 173.24 175.38 1nn3 h LEU 114 N 1.34 1.07 0.04 2.42 5.85 -1.95 -2.03 115.31 122.05 1nn3 h LEU 114 Ca -0.49 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.19 1nn3 h LEU 114 Cb 1.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1nn3 h LEU 114 CO 0.59 0.83 -0.23 -0.78 -0.34 0.00 0.00 178.44 178.50 1nn3 h ASP 115 N 1.23 -0.68 -0.92 1.25 1.82 -2.00 0.07 116.42 117.18 1nn3 h ASP 115 Ca 0.32 0.09 0.04 0.00 -0.39 0.00 0.00 57.03 57.09 1nn3 h ASP 115 Cb -0.05 0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.18 1nn3 h ASP 115 CO -0.06 -0.31 0.60 -0.25 -1.61 0.00 0.00 179.24 177.61 1nn3 h TRP 116 N -0.39 1.12 -0.80 0.28 7.01 -1.90 -2.45 115.95 118.82 1nn3 h TRP 116 Ca 0.05 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 1nn3 h TRP 116 Cb 0.45 -0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 1nn3 h TRP 116 CO -0.25 0.62 0.33 0.00 -2.79 0.00 0.00 178.44 176.35 1nn3 h LYS 118 N 1.16 0.45 -0.90 0.00 1.57 -0.52 -3.38 116.57 114.95 1nn3 h LYS 118 Ca 0.27 -0.20 0.15 0.00 -1.87 0.00 0.00 60.65 59.00 1nn3 h LYS 118 Cb 0.20 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 1nn3 h LYS 118 CO -0.02 0.74 0.50 1.96 -0.57 0.00 0.00 179.45 182.05 1nn3 h GLN 119 N 0.38 0.69 0.00 3.15 1.08 -1.36 -1.44 115.11 117.61 1nn3 h GLN 119 Ca 0.04 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1nn3 h GLN 119 Cb 0.78 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1nn3 h GLN 119 CO 0.06 0.46 -0.11 -1.35 -0.95 0.00 0.00 178.83 176.94 1nn3 h PRO 120 N 0.71 0.00 -0.02 1.46 0.11 -1.77 -1.55 132.00 130.94 1nn3 h PRO 120 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1nn3 h PRO 120 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1nn3 h PRO 120 CO -0.35 0.11 -0.03 -0.25 -0.21 0.00 0.00 178.00 177.28 1nn3 n ASP 121 N -4.38 1.58 -4.71 -2.05 8.00 -0.56 -4.89 116.55 109.53 1nn3 n ASP 121 Ca -0.03 -1.49 -0.42 0.00 0.71 0.00 0.00 54.79 53.57 1nn3 n ASP 121 Cb 0.19 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1nn3 n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nn3 s VAL 122 N -2.05 2.37 0.00 2.53 1.01 -0.59 -1.88 120.40 121.80 1nn3 s VAL 122 Ca 0.36 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1nn3 s VAL 122 Cb 0.21 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1nn3 s VAL 122 CO 0.35 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1nn3 n GLY 123 N 3.96 1.08 3.67 4.51 0.00 0.27 -4.96 105.19 113.71 1nn3 n GLY 123 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1nn3 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nn3 s LEU 124 N 0.00 2.60 -0.01 0.99 1.43 -0.79 -4.43 118.68 118.47 1nn3 s LEU 124 Ca 0.00 2.03 -0.36 0.00 -1.03 0.00 0.00 54.13 54.77 1nn3 s LEU 124 Cb 0.00 -4.40 -0.15 0.00 0.03 0.00 0.00 46.19 41.68 1nn3 s LEU 124 CO 0.00 -3.09 1.60 -2.65 0.23 0.00 0.00 176.35 172.45 1nn3 n PRO 125 N -4.21 1.61 -2.69 1.29 -0.02 -1.26 -0.08 135.00 129.64 1nn3 n PRO 125 Ca 0.10 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1nn3 n PRO 125 Cb 0.53 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1nn3 n PRO 125 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1nn3 s LYS 126 N 2.02 4.39 0.49 -0.52 2.20 -0.16 -4.57 119.74 123.58 1nn3 s LYS 126 Ca 0.88 1.37 -0.24 0.00 -0.36 0.00 0.00 55.97 57.62 1nn3 s LYS 126 Cb -0.86 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 31.83 1nn3 s LYS 126 CO 0.50 -0.37 1.37 -2.30 -0.36 0.00 0.00 175.35 174.18 1nn3 n PRO 127 N 5.26 1.96 0.19 4.03 -0.02 -1.26 -4.38 135.00 140.77 1nn3 n PRO 127 Ca 0.09 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.40 1nn3 n PRO 127 Cb 0.48 -2.56 0.15 0.00 -0.02 0.00 0.00 33.50 31.56 1nn3 n PRO 127 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nn3 h ASP 128 N 1.90 0.00 -3.22 2.55 3.32 -1.12 -3.44 116.42 116.41 1nn3 h ASP 128 Ca -0.50 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 1nn3 h ASP 128 Cb 1.29 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.57 1nn3 h ASP 128 CO 0.59 0.00 -0.29 -0.22 -1.72 0.00 0.00 179.24 177.60 1nn3 s LEU 129 N -5.90 -0.11 -0.26 1.55 2.96 -1.15 -4.64 118.68 111.13 1nn3 s LEU 129 Ca 0.06 0.90 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 1nn3 s LEU 129 Cb 0.06 1.37 0.06 0.00 0.50 0.00 0.00 46.19 48.18 1nn3 s LEU 129 CO 0.69 -0.19 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.73 1nn3 s VAL 130 N 1.40 2.24 -0.10 1.68 1.01 -0.13 -1.40 120.40 125.11 1nn3 s VAL 130 Ca -0.10 -1.57 -0.19 0.00 0.00 0.00 0.00 61.98 60.12 1nn3 s VAL 130 Cb -0.08 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1nn3 s VAL 130 CO -0.13 0.00 0.53 -0.76 0.00 0.00 0.00 175.10 174.74 1nn3 s LEU 131 N 1.13 4.30 -0.27 3.92 1.43 0.16 -0.83 118.68 128.52 1nn3 s LEU 131 Ca -0.08 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1nn3 s LEU 131 Cb -0.20 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.27 1nn3 s LEU 131 CO -0.05 -0.01 -0.02 0.12 0.23 0.00 0.00 176.35 176.62 1nn3 s PHE 132 N 0.55 3.14 -0.55 0.29 5.36 0.02 -0.57 117.98 126.22 1nn3 s PHE 132 Ca 0.29 -1.56 -0.25 0.00 -0.96 0.00 0.00 56.93 54.44 1nn3 s PHE 132 Cb -0.16 -2.10 0.04 0.00 -0.34 0.00 0.00 43.02 40.45 1nn3 s PHE 132 CO 0.12 -0.73 0.99 -0.51 -1.46 0.00 0.00 175.22 173.64 1nn3 s LEU 133 N 1.33 3.95 -0.01 6.12 1.02 0.11 -0.90 118.68 130.30 1nn3 s LEU 133 Ca -0.01 -0.20 -0.18 0.00 0.02 0.00 0.00 54.13 53.75 1nn3 s LEU 133 Cb -0.18 -2.94 -0.05 0.00 0.02 0.00 0.00 46.19 43.04 1nn3 s LEU 133 CO -0.02 -1.26 0.52 -1.10 0.02 0.00 0.00 176.35 174.50 1nn3 s GLN 134 N 4.14 4.20 -0.24 1.70 -0.21 0.20 -4.50 119.66 124.95 1nn3 s GLN 134 Ca 0.34 0.59 -0.17 0.00 0.02 0.00 0.00 55.36 56.14 1nn3 s GLN 134 Cb -0.11 -3.31 0.07 0.00 1.00 0.00 0.00 33.01 30.65 1nn3 s GLN 134 CO 0.21 0.45 0.62 -1.17 -2.12 0.00 0.00 175.29 173.28 1nn3 s LEU 135 N -0.39 -0.61 0.20 2.90 2.96 -1.26 -1.14 118.68 121.33 1nn3 s LEU 135 Ca 0.28 1.32 -0.33 0.00 -0.22 0.00 0.00 54.13 55.18 1nn3 s LEU 135 Cb -0.17 2.12 -0.14 0.00 0.50 0.00 0.00 46.19 48.49 1nn3 s LEU 135 CO 0.15 -0.22 1.37 0.00 -1.32 0.00 0.00 176.35 176.33 1nn3 n GLN 136 N 3.76 1.77 -0.34 1.98 1.13 -1.26 -4.75 117.38 119.66 1nn3 n GLN 136 Ca -0.18 0.63 0.30 0.00 -1.94 0.00 0.00 57.00 55.81 1nn3 n GLN 136 Cb 0.57 -2.27 0.64 0.00 0.11 0.00 0.00 30.24 29.29 1nn3 n GLN 136 CO 0.00 0.00 0.00 1.37 -1.44 0.00 0.00 177.06 176.99 1nn3 h LEU 137 N 4.34 0.22 -0.01 1.08 -0.00 -1.99 -0.87 115.31 118.09 1nn3 h LEU 137 Ca -0.45 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.48 1nn3 h LEU 137 Cb 1.29 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1nn3 h LEU 137 CO 0.77 0.02 -0.02 0.00 -0.00 0.00 0.00 178.44 179.21 1nn3 h ALA 138 N 1.51 0.01 -0.02 0.17 0.00 -1.99 -2.14 119.26 116.80 1nn3 h ALA 138 Ca 0.61 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1nn3 h ALA 138 Cb 1.99 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1nn3 h ALA 138 CO -0.18 -0.17 0.07 -0.44 0.00 0.00 0.00 179.25 178.54 1nn3 h ASP 139 N -0.59 0.00 0.76 0.00 3.32 -1.55 -1.66 116.42 116.70 1nn3 h ASP 139 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1nn3 h ASP 139 Cb 0.64 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1nn3 h ASP 139 CO 0.00 0.00 -1.35 0.00 -1.72 0.00 0.00 179.24 176.17 1nn3 h ALA 140 N 1.88 0.66 -0.00 3.45 0.00 -1.22 -3.25 119.26 120.76 1nn3 h ALA 140 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1nn3 h ALA 140 Cb 0.15 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nn3 h ALA 140 CO -0.00 0.93 -0.06 0.00 0.00 0.00 0.00 179.25 180.12 1nn3 n ALA 141 N -2.39 2.69 0.02 0.00 0.00 -0.64 -3.16 120.51 117.03 1nn3 n ALA 141 Ca -0.09 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1nn3 n ALA 141 Cb 0.84 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 1nn3 n ALA 141 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nn3 h LYS 142 N 0.65 0.15 -4.10 0.00 3.64 -1.56 -3.38 116.57 111.96 1nn3 h LYS 142 Ca 0.00 -0.25 -0.30 0.00 -1.27 0.00 0.00 60.65 58.83 1nn3 h LYS 142 Cb 0.29 0.09 0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1nn3 h LYS 142 CO 0.00 0.90 1.67 0.54 -2.27 0.00 0.00 179.45 180.29 1nn3 n ARG 143 N -3.30 0.75 0.00 1.90 1.74 -1.19 -4.63 116.66 111.93 1nn3 n ARG 143 Ca -0.20 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 1nn3 n ARG 143 Cb 1.04 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1nn3 n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nn3 n GLY 144 N 4.19 -1.84 4.00 -0.13 0.00 -1.26 -4.87 105.19 105.27 1nn3 n GLY 144 Ca 0.27 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 1nn3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nn3 s ALA 145 N -1.01 4.05 0.68 4.61 0.00 -1.26 -4.68 121.76 124.15 1nn3 s ALA 145 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.11 1nn3 s ALA 145 Cb 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.26 1nn3 s ALA 145 CO 0.00 -1.04 1.12 -0.06 0.00 0.00 0.00 175.76 175.78 1nn3 s PHE 146 N -2.87 2.52 0.87 0.00 0.40 -1.26 -5.01 117.98 112.63 1nn3 s PHE 146 Ca 0.62 1.56 -0.15 0.00 -0.60 0.00 0.00 56.93 58.37 1nn3 s PHE 146 Cb -0.07 -3.20 0.20 0.00 0.51 0.00 0.00 43.02 40.46 1nn3 s PHE 146 CO 0.41 -1.84 1.05 0.41 0.70 0.00 0.00 175.22 175.95 1nn3 n GLY 147 N -0.44 -1.78 0.65 4.36 0.00 -1.26 -4.99 105.19 101.73 1nn3 n GLY 147 Ca 0.11 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.55 1nn3 n GLY 147 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nn3 n HIS 148 N -3.77 0.27 -2.01 1.61 -0.00 -1.26 -4.82 115.22 105.24 1nn3 n HIS 148 Ca 0.14 -0.24 -0.29 0.00 -0.00 0.00 0.00 57.72 57.32 1nn3 n HIS 148 Cb 0.48 -0.01 0.05 0.00 -0.00 0.00 0.00 29.99 30.51 1nn3 n HIS 148 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1nn3 s GLU 149 N -1.06 2.71 0.67 -0.41 2.02 -1.26 -4.88 118.70 116.49 1nn3 s GLU 149 Ca 0.22 0.28 -0.17 0.00 0.02 0.00 0.00 54.97 55.31 1nn3 s GLU 149 Cb 0.13 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 1nn3 s GLU 149 CO 0.18 -1.06 1.07 0.54 0.02 0.00 0.00 175.26 176.01 1nn3 n ARG 150 N -2.96 0.77 -0.55 1.61 1.74 0.37 -2.43 116.66 115.21 1nn3 n ARG 150 Ca 0.07 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1nn3 n ARG 150 Cb 0.58 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1nn3 n ARG 150 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1nn3 n TYR 151 N -2.16 0.00 -2.21 -1.55 0.53 -1.26 -4.92 117.16 105.59 1nn3 n TYR 151 Ca 0.14 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.60 1nn3 n TYR 151 Cb 0.49 -0.23 0.00 0.00 -1.03 0.00 0.00 39.34 38.57 1nn3 n TYR 151 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 1nn3 n GLU 152 N -2.00 3.54 -3.74 -0.72 1.02 -1.02 -4.37 120.64 113.35 1nn3 n GLU 152 Ca 0.00 -3.36 -0.14 0.00 -0.02 0.00 0.00 57.16 53.64 1nn3 n GLU 152 Cb 0.00 -2.97 -0.09 0.00 -0.02 0.00 0.00 31.44 28.36 1nn3 n GLU 152 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nn3 s ASN 153 N 1.20 -0.29 0.19 1.62 2.20 -1.26 -4.59 114.94 114.02 1nn3 s ASN 153 Ca 0.42 0.33 -0.14 0.00 -0.94 0.00 0.00 52.86 52.53 1nn3 s ASN 153 Cb 0.11 0.46 0.20 0.00 -2.00 0.00 0.00 41.25 40.02 1nn3 s ASN 153 CO -0.01 -0.37 1.67 1.23 -2.94 0.00 0.00 177.10 176.67 1nn3 h GLY 154 N 4.26 0.49 1.23 0.45 0.00 -1.99 -0.22 103.07 107.29 1nn3 h GLY 154 Ca -0.29 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1nn3 h GLY 154 CO 0.36 -0.17 0.13 0.00 0.00 0.00 0.00 176.54 176.86 1nn3 h ALA 155 N 1.49 1.08 -0.14 3.60 0.00 -1.98 -1.52 119.26 121.80 1nn3 h ALA 155 Ca 0.26 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1nn3 h ALA 155 Cb 0.41 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nn3 h ALA 155 CO -0.48 0.60 -0.76 0.35 0.00 0.00 0.00 179.25 178.97 1nn3 h PHE 156 N 0.91 0.95 -0.57 0.00 3.57 -1.78 -2.82 116.94 117.19 1nn3 h PHE 156 Ca 0.19 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1nn3 h PHE 156 Cb 0.35 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1nn3 h PHE 156 CO 0.02 1.23 0.31 1.96 -2.23 0.00 0.00 178.31 179.60 1nn3 h GLN 157 N 0.48 0.78 -0.69 1.11 1.08 -0.83 -0.77 115.11 116.27 1nn3 h GLN 157 Ca -0.05 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 1nn3 h GLN 157 Cb 1.37 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.62 1nn3 h GLN 157 CO 0.15 0.57 0.15 1.49 -0.95 0.00 0.00 178.83 180.25 1nn3 h GLU 158 N 0.79 1.11 -0.46 1.46 4.22 -1.20 0.22 114.58 120.73 1nn3 h GLU 158 Ca 0.20 -0.27 -0.10 0.00 0.08 0.00 0.00 59.36 59.27 1nn3 h GLU 158 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1nn3 h GLU 158 CO -0.03 0.99 -0.10 0.00 -2.18 0.00 0.00 179.01 177.69 1nn3 h ARG 159 N 1.05 0.83 -0.52 1.92 3.08 -1.12 -2.08 114.38 117.54 1nn3 h ARG 159 Ca 0.22 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1nn3 h ARG 159 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1nn3 h ARG 159 CO 0.01 0.89 0.05 0.00 -1.07 0.00 0.00 179.97 179.85 1nn3 h ALA 160 N 1.14 0.69 -0.78 0.04 0.00 -0.54 -2.43 119.26 117.37 1nn3 h ALA 160 Ca 0.13 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1nn3 h ALA 160 Cb 0.59 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1nn3 h ALA 160 CO 0.04 0.46 0.45 1.25 0.00 0.00 0.00 179.25 181.44 1nn3 h LEU 161 N 0.75 0.65 -1.34 0.00 5.85 -0.33 0.14 115.31 121.02 1nn3 h LEU 161 Ca 0.15 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1nn3 h LEU 161 Cb 0.45 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1nn3 h LEU 161 CO 0.02 0.39 0.25 0.03 -0.34 0.00 0.00 178.44 178.78 1nn3 h ARG 162 N 0.77 0.70 -0.42 1.25 3.08 -1.00 -1.32 114.38 117.45 1nn3 h ARG 162 Ca 0.37 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.23 1nn3 h ARG 162 Cb 0.30 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1nn3 h ARG 162 CO -0.23 0.54 -0.15 0.00 -1.07 0.00 0.00 179.97 179.06 1nn3 h PHE 164 N 0.67 0.82 -0.28 0.00 -1.00 -0.29 -1.13 116.94 115.74 1nn3 h PHE 164 Ca 0.10 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 1nn3 h PHE 164 Cb 0.70 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1nn3 h PHE 164 CO 0.05 0.40 -0.01 0.45 -1.61 0.00 0.00 178.31 177.59 1nn3 h HIS 165 N 0.81 0.43 -0.58 -0.55 3.86 -0.93 -1.66 115.15 116.53 1nn3 h HIS 165 Ca 0.34 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.42 1nn3 h HIS 165 Cb 0.21 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1nn3 h HIS 165 CO -0.06 0.44 -0.00 1.96 0.86 0.00 0.00 177.93 181.13 1nn3 h GLN 166 N 0.41 1.01 0.00 2.45 1.08 -0.39 -2.88 115.11 116.79 1nn3 h GLN 166 Ca 0.09 -0.31 -0.07 0.00 -1.45 0.00 0.00 58.65 56.91 1nn3 h GLN 166 Cb 0.28 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1nn3 h GLN 166 CO 0.01 0.99 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.49 1nn3 h LEU 167 N 0.93 0.00 -0.22 1.46 3.38 -0.55 -2.53 115.31 117.77 1nn3 h LEU 167 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1nn3 h LEU 167 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1nn3 h LEU 167 CO 0.03 0.32 0.00 0.23 0.09 0.00 0.00 178.44 179.11 1nn3 n MET 168 N -4.03 0.12 0.01 1.13 2.81 -0.70 -2.16 117.12 114.30 1nn3 n MET 168 Ca -0.02 0.25 0.09 0.00 -1.81 0.00 0.00 57.70 56.22 1nn3 n MET 168 Cb 0.37 -1.69 0.42 0.00 -0.71 0.00 0.00 33.22 31.61 1nn3 n MET 168 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1nn3 n LYS 169 N -1.91 0.01 -2.33 0.03 5.02 -0.95 -4.68 118.16 113.35 1nn3 n LYS 169 Ca 0.04 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 1nn3 n LYS 169 Cb 0.28 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1nn3 n LYS 169 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nn3 s ASP 170 N -3.06 5.96 0.00 4.39 -1.08 -0.92 -4.87 116.67 117.09 1nn3 s ASP 170 Ca 0.09 0.23 0.25 0.00 -0.52 0.00 0.00 52.55 52.60 1nn3 s ASP 170 Cb 0.13 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.36 1nn3 s ASP 170 CO 0.36 -1.86 1.84 0.35 0.52 0.00 0.00 175.17 176.37 1nn3 n THR 171 N 6.88 0.16 0.36 1.71 -2.24 -1.26 -2.68 114.28 117.21 1nn3 n THR 171 Ca 0.13 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 1nn3 n THR 171 Cb 0.50 -0.64 0.55 0.00 -2.10 0.00 0.00 70.33 68.64 1nn3 n THR 171 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1nn3 h THR 172 N 0.00 0.00 -3.42 4.28 1.35 -1.98 -3.44 112.91 109.70 1nn3 h THR 172 Ca 0.00 -0.31 -0.66 0.00 -0.55 0.00 0.00 66.41 64.89 1nn3 h THR 172 Cb 0.17 1.12 -0.14 0.00 -1.73 0.00 0.00 68.15 67.57 1nn3 h THR 172 CO 0.00 0.00 -0.67 -0.76 -0.25 0.00 0.00 175.52 173.84 1nn3 s LEU 173 N -4.97 3.38 -1.31 3.87 1.43 -1.09 -5.04 118.68 114.95 1nn3 s LEU 173 Ca 0.03 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1nn3 s LEU 173 Cb 0.09 -2.05 0.13 0.00 0.03 0.00 0.00 46.19 44.39 1nn3 s LEU 173 CO 0.44 0.22 1.87 -3.20 0.23 0.00 0.00 176.35 175.90 1nn3 n ASN 174 N 0.95 4.84 -4.73 2.29 5.15 -1.26 -4.98 115.26 117.52 1nn3 n ASN 174 Ca -0.13 -3.02 -0.41 0.00 -0.60 0.00 0.00 54.58 50.42 1nn3 n ASN 174 Cb 0.52 -1.55 -0.04 0.00 -0.53 0.00 0.00 39.78 38.18 1nn3 n ASN 174 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1nn3 s TRP 175 N 1.45 3.60 -0.07 1.20 0.52 -1.26 -0.95 118.94 123.43 1nn3 s TRP 175 Ca 0.43 1.59 0.01 0.00 0.02 0.00 0.00 56.10 58.14 1nn3 s TRP 175 Cb 0.08 -3.27 0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1nn3 s TRP 175 CO -0.01 -0.59 -0.08 0.15 0.02 0.00 0.00 176.95 176.44 1nn3 s LYS 176 N -0.12 1.34 0.17 4.98 -0.14 -0.01 -4.93 119.74 121.03 1nn3 s LYS 176 Ca 0.50 -0.25 -0.27 0.00 -1.36 0.00 0.00 55.97 54.60 1nn3 s LYS 176 Cb -0.29 -1.27 -0.08 0.00 -1.68 0.00 0.00 37.83 34.51 1nn3 s LYS 176 CO 0.34 -0.11 0.84 -1.64 -0.76 0.00 0.00 175.35 174.01 1nn3 s MET 177 N 1.12 4.66 -0.08 1.68 -1.94 -1.26 -0.80 119.30 122.68 1nn3 s MET 177 Ca -0.07 1.27 0.04 0.00 -1.71 0.00 0.00 55.69 55.22 1nn3 s MET 177 Cb -0.14 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 33.41 1nn3 s MET 177 CO -0.01 0.51 -0.21 0.08 -0.01 0.00 0.00 175.02 175.38 1nn3 s VAL 178 N -0.98 1.78 -0.88 -6.03 1.01 -0.08 -4.89 120.40 110.33 1nn3 s VAL 178 Ca 0.38 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1nn3 s VAL 178 Cb -0.24 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1nn3 s VAL 178 CO 0.28 0.50 1.35 -0.62 0.00 0.00 0.00 175.10 176.61 1nn3 s ASP 179 N 0.28 6.33 0.00 3.32 2.15 -1.26 -0.63 116.67 126.86 1nn3 s ASP 179 Ca -0.13 -0.98 0.11 0.00 0.43 0.00 0.00 52.55 51.98 1nn3 s ASP 179 Cb -0.16 -2.56 0.67 0.00 -0.30 0.00 0.00 42.92 40.58 1nn3 s ASP 179 CO 0.06 -1.65 1.43 0.00 -0.17 0.00 0.00 175.17 174.84 1nn3 n ALA 180 N 9.03 2.56 0.52 3.66 0.00 -0.30 -3.66 120.51 132.33 1nn3 n ALA 180 Ca 0.18 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1nn3 n ALA 180 Cb 0.50 -1.18 0.31 0.00 0.00 0.00 0.00 19.45 19.08 1nn3 n ALA 180 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nn3 h SER 181 N 0.00 0.00 -3.16 0.00 4.64 -1.88 -3.46 113.55 109.69 1nn3 h SER 181 Ca 0.00 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 60.96 1nn3 h SER 181 Cb 0.00 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.24 1nn3 h SER 181 CO 0.00 0.02 0.18 0.29 -0.87 0.00 0.00 176.83 176.44 1nn3 n LYS 182 N -2.41 -2.17 -0.94 4.77 5.02 -1.24 -5.02 118.16 116.18 1nn3 n LYS 182 Ca 0.05 -1.49 -0.30 0.00 -2.02 0.00 0.00 58.31 54.55 1nn3 n LYS 182 Cb 0.45 -1.24 0.16 0.00 -0.02 0.00 0.00 35.03 34.38 1nn3 n LYS 182 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nn3 s SER 183 N -4.22 2.93 0.18 4.39 1.04 -1.26 -4.72 113.70 112.04 1nn3 s SER 183 Ca 0.58 1.73 -0.13 0.00 0.48 0.00 0.00 55.95 58.61 1nn3 s SER 183 Cb -0.04 -2.35 0.12 0.00 0.10 0.00 0.00 66.02 63.85 1nn3 s SER 183 CO 0.43 -3.02 1.81 0.40 0.98 0.00 0.00 173.24 173.85 1nn3 h ILE 184 N -1.81 1.04 -0.60 -1.02 2.04 -1.95 -0.91 117.51 114.31 1nn3 h ILE 184 Ca -0.49 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1nn3 h ILE 184 Cb 1.28 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1nn3 h ILE 184 CO 0.50 0.12 -0.01 -0.33 0.00 0.00 0.00 178.15 178.42 1nn3 h GLU 185 N 0.63 1.06 -0.45 2.37 4.39 -1.99 -0.44 114.58 120.15 1nn3 h GLU 185 Ca 0.22 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 1nn3 h GLU 185 Cb 0.04 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1nn3 h GLU 185 CO -0.11 1.04 -0.17 0.00 -1.16 0.00 0.00 179.01 178.61 1nn3 h ALA 186 N 1.01 0.63 -0.67 3.43 0.00 -1.82 -0.77 119.26 121.07 1nn3 h ALA 186 Ca 0.17 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1nn3 h ALA 186 Cb 0.56 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1nn3 h ALA 186 CO 0.03 0.58 0.26 0.28 0.00 0.00 0.00 179.25 180.40 1nn3 h VAL 187 N 0.75 1.24 -0.30 0.00 2.07 -1.13 -2.39 116.25 116.50 1nn3 h VAL 187 Ca 0.11 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1nn3 h VAL 187 Cb 0.73 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1nn3 h VAL 187 CO 0.06 0.31 0.18 -0.74 0.02 0.00 0.00 177.57 177.39 1nn3 h HIS 188 N 0.96 0.34 -0.87 1.57 6.17 -0.84 -1.16 115.15 121.32 1nn3 h HIS 188 Ca 0.22 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1nn3 h HIS 188 Cb 0.22 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 30.00 1nn3 h HIS 188 CO 0.02 0.20 0.55 1.49 0.71 0.00 0.00 177.93 180.89 1nn3 h GLU 189 N 0.37 1.16 -0.47 5.26 4.57 -0.87 0.22 114.58 124.82 1nn3 h GLU 189 Ca 0.12 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1nn3 h GLU 189 Cb -0.01 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 1nn3 h GLU 189 CO -0.05 0.79 0.24 -0.44 -1.18 0.00 0.00 179.01 178.37 1nn3 h ASP 190 N 1.19 0.60 -0.39 1.04 3.32 -0.97 -1.34 116.42 119.88 1nn3 h ASP 190 Ca 0.31 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 1nn3 h ASP 190 Cb -0.09 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1nn3 h ASP 190 CO -0.06 0.55 -0.17 0.40 -1.72 0.00 0.00 179.24 178.23 1nn3 h ILE 191 N 0.62 1.27 -0.22 0.35 2.04 -0.69 -2.52 117.51 118.36 1nn3 h ILE 191 Ca 0.16 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1nn3 h ILE 191 Cb 0.09 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1nn3 h ILE 191 CO -0.02 0.44 0.09 -0.09 0.00 0.00 0.00 178.15 178.57 1nn3 h ARG 192 N 0.76 0.33 -0.59 2.37 2.43 -0.20 -0.67 114.38 118.81 1nn3 h ARG 192 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1nn3 h ARG 192 Cb 0.70 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1nn3 h ARG 192 CO 0.05 0.38 0.23 0.28 -1.51 0.00 0.00 179.97 179.41 1nn3 h VAL 193 N 0.20 1.23 -0.96 0.20 2.07 -1.21 -0.09 116.25 117.69 1nn3 h VAL 193 Ca 0.07 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1nn3 h VAL 193 Cb 0.18 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1nn3 h VAL 193 CO -0.01 0.28 0.63 -0.07 0.02 0.00 0.00 177.57 178.42 1nn3 h LEU 194 N 0.82 1.07 -0.35 2.57 3.38 -1.34 -2.22 115.31 119.25 1nn3 h LEU 194 Ca 0.20 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1nn3 h LEU 194 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1nn3 h LEU 194 CO -0.02 0.76 -0.12 0.28 0.09 0.00 0.00 178.44 179.44 1nn3 h SER 195 N 1.26 0.71 -0.98 -0.43 0.02 -0.74 -1.70 113.55 111.68 1nn3 h SER 195 Ca 0.36 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1nn3 h SER 195 Cb -0.09 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.20 1nn3 h SER 195 CO -0.09 0.93 0.64 -0.33 -1.14 0.00 0.00 176.83 176.83 1nn3 h GLU 196 N 0.48 1.20 -0.47 3.45 4.39 -0.80 -0.91 114.58 121.92 1nn3 h GLU 196 Ca 0.08 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1nn3 h GLU 196 Cb 0.63 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1nn3 h GLU 196 CO 0.04 0.79 -0.02 0.22 -1.16 0.00 0.00 179.01 178.88 1nn3 h ASP 197 N 1.23 0.83 -0.81 1.42 3.58 -1.19 -2.53 116.42 118.95 1nn3 h ASP 197 Ca 0.39 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1nn3 h ASP 197 Cb 0.01 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 1nn3 h ASP 197 CO -0.13 0.95 0.43 0.00 -2.88 0.00 0.00 179.24 177.62 1nn3 h ALA 198 N 0.91 1.04 -0.76 -0.78 0.00 -0.76 0.22 119.26 119.14 1nn3 h ALA 198 Ca 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nn3 h ALA 198 Cb 0.54 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1nn3 h ALA 198 CO 0.03 0.56 0.46 0.82 0.00 0.00 0.00 179.25 181.12 1nn3 h ILE 199 N 1.13 1.21 0.00 0.00 2.04 -1.02 -1.15 117.51 119.72 1nn3 h ILE 199 Ca 0.28 -0.47 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 1nn3 h ILE 199 Cb 0.05 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1nn3 h ILE 199 CO -0.04 0.22 -1.00 0.00 0.00 0.00 0.00 178.15 177.33 1nn3 h ALA 200 N 1.24 0.65 0.00 1.87 0.00 -1.11 -3.37 119.26 118.54 1nn3 h ALA 200 Ca 0.27 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1nn3 h ALA 200 Cb -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nn3 h ALA 200 CO -0.05 0.77 -1.30 0.25 0.00 0.00 0.00 179.25 178.92 1nn3 n THR 201 N -3.04 0.30 0.21 0.00 -2.24 0.74 -4.72 114.28 105.53 1nn3 n THR 201 Ca -0.04 -0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1nn3 n THR 201 Cb 0.79 -0.77 0.44 0.00 -2.10 0.00 0.00 70.33 68.69 1nn3 n THR 201 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nn3 h ALA 202 N 0.08 1.07 0.00 6.98 0.00 -1.33 -3.16 119.26 122.90 1nn3 h ALA 202 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nn3 h ALA 202 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nn3 h ALA 202 CO -0.01 0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.84 1nn3 n THR 203 N -3.53 0.09 0.41 0.00 -2.24 -1.21 -3.55 114.28 104.25 1nn3 n THR 203 Ca -0.00 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1nn3 n THR 203 Cb 0.43 -0.58 0.40 0.00 -2.10 0.00 0.00 70.33 68.48 1nn3 n THR 203 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nn3 n GLU 204 N -1.20 0.10 -4.27 -0.78 1.02 -1.20 -4.71 120.64 109.61 1nn3 n GLU 204 Ca 0.15 0.37 -0.29 0.00 -0.02 0.00 0.00 57.16 57.36 1nn3 n GLU 204 Cb 0.18 -1.71 -0.11 0.00 -0.02 0.00 0.00 31.44 29.79 1nn3 n GLU 204 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1nn3 s LYS 205 N -3.18 1.93 0.75 3.49 1.02 -1.23 -5.08 119.74 117.43 1nn3 s LYS 205 Ca 0.05 -1.12 -0.14 0.00 0.02 0.00 0.00 55.97 54.77 1nn3 s LYS 205 Cb 0.09 -2.19 0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1nn3 s LYS 205 CO 0.31 0.49 1.20 -2.14 -0.92 0.00 0.00 175.35 174.29 1nn3 s PRO 206 N -2.19 2.05 0.22 -1.68 0.02 -1.26 -4.93 135.00 127.23 1nn3 s PRO 206 Ca 0.20 1.73 -0.32 0.00 0.02 0.00 0.00 61.00 62.63 1nn3 s PRO 206 Cb -0.11 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 1nn3 s PRO 206 CO 0.12 -1.90 1.69 -0.11 -0.33 0.00 0.00 177.00 176.47 1nn3 n LEU 207 N -2.86 4.00 -4.97 -5.54 7.94 -1.26 -4.98 117.00 109.32 1nn3 n LEU 207 Ca 0.13 1.08 -0.26 0.00 -1.11 0.00 0.00 56.01 55.85 1nn3 n LEU 207 Cb 0.50 -1.57 0.14 0.00 0.53 0.00 0.00 43.42 43.03 1nn3 n LEU 207 CO 0.48 0.15 0.68 -0.83 -1.11 0.00 0.00 177.39 176.75 1nn3 s GLY 208 N 1.04 1.77 -0.09 -3.96 0.00 -1.26 -4.92 107.32 99.90 1nn3 s GLY 208 Ca 0.74 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1nn3 s GLY 208 CO 0.35 -0.91 -0.19 -0.54 0.00 0.00 0.00 173.10 171.81 1nn3 s GLU 209 N -5.44 2.95 0.15 2.90 2.02 -1.26 -0.99 118.70 119.04 1nn3 s GLU 209 Ca 0.70 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 1nn3 s GLU 209 Cb -0.04 -2.40 -0.07 0.00 0.10 0.00 0.00 34.13 31.72 1nn3 s GLU 209 CO 0.48 0.32 1.20 -1.17 0.02 0.00 0.00 175.26 176.11 1nn3 s LEU 210 N 0.04 4.43 -1.83 1.80 2.96 0.89 -3.58 118.68 123.39 1nn3 s LEU 210 Ca -0.07 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 1nn3 s LEU 210 Cb -0.15 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1nn3 s LEU 210 CO 0.05 -0.40 0.00 0.79 -1.32 0.00 0.00 176.35 175.47 1nn3 n TRP 211 N 2.88 -0.84 -1.67 5.38 8.01 -1.26 -0.57 117.44 129.36 1nn3 n TRP 211 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 1nn3 n TRP 211 Cb 0.45 -3.88 0.00 0.00 -2.01 0.00 0.00 31.31 25.87 1nn3 n TRP 211 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04