#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nn4 n HIS -11 N 0.00 0.00 -2.80 4.41 -0.00 -1.26 -5.00 115.22 110.57 1nn4 n HIS -11 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 1nn4 n HIS -11 Cb 0.00 -0.50 0.01 0.00 -0.00 0.00 0.00 29.99 29.50 1nn4 n HIS -11 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1nn4 n HIS -10 N -2.32 -1.59 0.90 4.41 -0.00 -1.26 -4.87 115.22 110.49 1nn4 n HIS -10 Ca -0.15 0.29 0.10 0.00 -0.00 0.00 0.00 57.72 57.96 1nn4 n HIS -10 Cb 0.76 -3.93 -0.08 0.00 -0.00 0.00 0.00 29.99 26.75 1nn4 n HIS -10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1nn4 n SER -9 N -2.25 0.86 -4.76 0.41 3.41 -1.26 -4.97 113.62 105.06 1nn4 n SER -9 Ca -0.15 -0.81 -0.35 0.00 -0.26 0.00 0.00 58.87 57.30 1nn4 n SER -9 Cb 0.63 0.99 0.03 0.00 -0.26 0.00 0.00 64.21 65.60 1nn4 n SER -9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nn4 s SER -8 N -3.16 5.34 0.03 4.04 1.04 -1.26 -4.93 113.70 114.80 1nn4 s SER -8 Ca 0.07 2.24 0.22 0.00 0.48 0.00 0.00 55.95 58.96 1nn4 s SER -8 Cb 0.16 -2.58 -0.21 0.00 0.10 0.00 0.00 66.02 63.49 1nn4 s SER -8 CO 0.85 -1.48 0.71 0.61 0.98 0.00 0.00 173.24 174.91 1nn4 n GLY -7 N 0.21 -1.12 2.99 7.32 0.00 -1.26 -4.67 105.19 108.65 1nn4 n GLY -7 Ca 0.12 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1nn4 n GLY -7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nn4 s LEU -6 N -4.47 3.98 -0.05 0.99 1.43 -1.26 -5.10 118.68 114.20 1nn4 s LEU -6 Ca -0.03 -1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 50.99 1nn4 s LEU -6 Cb 0.13 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1nn4 s LEU -6 CO 0.87 -0.33 0.70 -0.89 0.23 0.00 0.00 176.35 176.92 1nn4 s THR -5 N 1.07 4.99 -0.23 5.49 2.01 -1.26 -5.02 115.64 122.70 1nn4 s THR -5 Ca 0.05 1.44 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 1nn4 s THR -5 Cb -0.19 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1nn4 s THR -5 CO -0.09 0.28 1.45 -2.84 -0.69 0.00 0.00 174.62 172.73 1nn4 s PRO -4 N 0.58 3.94 0.74 4.92 0.02 -1.26 -5.00 135.00 138.94 1nn4 s PRO -4 Ca 0.37 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.83 1nn4 s PRO -4 Cb -0.18 -3.93 0.04 0.00 0.02 0.00 0.00 34.50 30.45 1nn4 s PRO -4 CO 0.19 -1.10 1.10 0.50 -0.33 0.00 0.00 177.00 177.35 1nn4 s ARG -3 N 4.25 2.42 0.33 5.54 3.52 -1.26 -4.94 118.95 128.81 1nn4 s ARG -3 Ca 0.63 1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 57.17 1nn4 s ARG -3 Cb -0.22 -1.91 -0.11 0.00 -1.56 0.00 0.00 34.95 31.15 1nn4 s ARG -3 CO 0.25 -1.53 1.44 0.20 -0.81 0.00 0.00 175.30 174.85 1nn4 s GLY -2 N -3.18 2.73 0.47 8.12 0.00 -1.26 -4.56 107.32 109.64 1nn4 s GLY -2 Ca 0.63 1.44 -0.24 0.00 0.00 0.00 0.00 44.72 46.54 1nn4 s GLY -2 CO 0.52 2.20 1.32 -1.26 0.00 0.00 0.00 173.10 175.88 1nn4 n SER -1 N 1.14 2.68 -0.00 1.64 2.88 -1.26 -4.50 113.62 116.20 1nn4 n SER -1 Ca 0.03 1.06 0.10 0.00 -1.33 0.00 0.00 58.87 58.73 1nn4 n SER -1 Cb 0.40 -1.54 -0.11 0.00 -0.75 0.00 0.00 64.21 62.21 1nn4 n SER -1 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nn4 n GLN 0 N -0.35 0.13 -3.64 -1.46 7.27 -0.23 -4.83 117.38 114.28 1nn4 n GLN 0 Ca 0.08 -0.04 -0.38 0.00 0.07 0.00 0.00 57.00 56.73 1nn4 n GLN 0 Cb 0.42 -1.51 -0.12 0.00 2.41 0.00 0.00 30.24 31.45 1nn4 n GLN 0 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1nn4 s MET 1 N -3.10 3.74 0.15 3.69 -1.94 -1.26 -4.96 119.30 115.62 1nn4 s MET 1 Ca 0.05 -0.45 0.23 0.00 -1.71 0.00 0.00 55.69 53.81 1nn4 s MET 1 Cb 0.16 -3.56 0.06 0.00 2.01 0.00 0.00 34.83 33.49 1nn4 s MET 1 CO 0.87 -0.24 1.06 0.36 -0.01 0.00 0.00 175.02 177.06 1nn4 n LYS 2 N 5.01 0.49 -3.67 2.03 -0.00 -1.26 -4.75 118.16 116.02 1nn4 n LYS 2 Ca -0.15 0.07 -0.13 0.00 -0.00 0.00 0.00 58.31 58.11 1nn4 n LYS 2 Cb 0.51 -1.74 -0.13 0.00 -0.00 0.00 0.00 35.03 33.67 1nn4 n LYS 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1nn4 s LYS 3 N -3.31 0.18 0.16 -1.58 2.20 -1.26 0.43 119.74 116.56 1nn4 s LYS 3 Ca 0.01 0.78 0.08 0.00 -0.36 0.00 0.00 55.97 56.48 1nn4 s LYS 3 Cb 0.11 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1nn4 s LYS 3 CO 0.79 -0.27 -0.17 0.96 -0.36 0.00 0.00 175.35 176.29 1nn4 s ILE 4 N 2.38 1.72 -0.18 5.43 -0.00 -0.45 0.65 121.20 130.74 1nn4 s ILE 4 Ca 0.00 -1.90 -0.13 0.00 -0.00 0.00 0.00 60.65 58.63 1nn4 s ILE 4 Cb -0.12 -1.80 -0.05 0.00 -0.00 0.00 0.00 42.46 40.50 1nn4 s ILE 4 CO -0.09 -0.35 0.24 0.00 -0.00 0.00 0.00 174.94 174.74 1nn4 s ALA 5 N -2.13 3.62 -0.06 2.27 0.00 0.05 -1.14 121.76 124.37 1nn4 s ALA 5 Ca 0.15 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1nn4 s ALA 5 Cb -0.05 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1nn4 s ALA 5 CO 0.06 0.04 0.00 0.12 0.00 0.00 0.00 175.76 175.98 1nn4 s PHE 6 N 0.59 3.14 -0.06 0.00 2.19 0.82 -1.85 117.98 122.80 1nn4 s PHE 6 Ca 0.13 0.16 -0.15 0.00 0.33 0.00 0.00 56.93 57.41 1nn4 s PHE 6 Cb -0.13 -1.75 0.03 0.00 -1.31 0.00 0.00 43.02 39.86 1nn4 s PHE 6 CO 0.03 0.47 0.34 0.20 1.83 0.00 0.00 175.22 178.08 1nn4 s GLY 7 N -1.09 -0.21 0.27 13.12 0.00 -0.74 0.71 107.32 119.39 1nn4 s GLY 7 Ca 0.15 0.62 -0.18 0.00 0.00 0.00 0.00 44.72 45.31 1nn4 s GLY 7 CO 0.05 0.43 0.64 0.00 0.00 0.00 0.00 173.10 174.22 1nn4 n ASP 9 N -0.47 0.65 0.17 0.00 2.03 -0.20 -2.13 116.55 116.60 1nn4 n ASP 9 Ca -0.03 -1.68 0.12 0.00 0.52 0.00 0.00 54.79 53.71 1nn4 n ASP 9 Cb 0.60 -0.64 0.14 0.00 -0.72 0.00 0.00 41.12 40.50 1nn4 n ASP 9 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1nn4 h HIS 10 N -1.01 0.00 0.00 -0.67 2.07 -1.82 -1.35 115.15 112.37 1nn4 h HIS 10 Ca -0.30 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.16 1nn4 h HIS 10 Cb 0.96 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.93 1nn4 h HIS 10 CO 0.00 0.00 -1.77 1.55 -3.07 0.00 0.00 177.93 174.64 1nn4 n VAL 11 N -2.86 0.44 0.17 6.12 3.14 -1.26 -3.80 118.33 120.29 1nn4 n VAL 11 Ca 0.03 -0.58 0.07 0.00 -2.96 0.00 0.00 64.34 60.90 1nn4 n VAL 11 Cb 0.52 -0.21 0.09 0.00 -1.06 0.00 0.00 33.84 33.18 1nn4 n VAL 11 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1nn4 h GLY 12 N 3.97 0.00 0.19 7.55 0.00 -1.73 -3.18 103.07 109.86 1nn4 h GLY 12 Ca -0.09 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.49 1nn4 h GLY 12 CO 0.01 0.00 0.64 -2.75 0.00 0.00 0.00 176.54 174.44 1nn4 h PHE 13 N 0.00 0.23 -1.19 5.60 3.04 -1.34 -1.14 116.94 122.14 1nn4 h PHE 13 Ca -0.01 0.01 0.34 0.00 3.98 0.00 0.00 57.97 62.29 1nn4 h PHE 13 Cb 1.20 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 39.58 1nn4 h PHE 13 CO 0.00 0.05 0.83 0.82 -2.02 0.00 0.00 178.31 177.99 1nn4 h ILE 14 N 0.16 0.40 -0.01 1.41 2.04 -1.75 -0.25 117.51 119.51 1nn4 h ILE 14 Ca 0.46 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.29 1nn4 h ILE 14 Cb 1.54 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1nn4 h ILE 14 CO -0.09 0.02 -0.11 0.18 0.00 0.00 0.00 178.15 178.15 1nn4 n LEU 15 N -4.29 1.83 0.08 1.44 4.77 -0.44 -4.80 117.00 115.60 1nn4 n LEU 15 Ca 0.27 -0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 55.24 1nn4 n LEU 15 Cb 1.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.24 1nn4 n LEU 15 CO 0.37 0.34 0.51 0.50 -1.33 0.00 0.00 177.39 177.78 1nn4 h LYS 16 N 2.15 -0.46 -0.32 3.23 3.64 -1.01 0.68 116.57 124.48 1nn4 h LYS 16 Ca 0.00 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1nn4 h LYS 16 Cb 0.51 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1nn4 h LYS 16 CO 0.00 -0.30 -0.09 0.45 -2.27 0.00 0.00 179.45 177.23 1nn4 h HIS 17 N -0.47 -0.20 -0.66 1.91 3.86 -1.87 0.12 115.15 117.83 1nn4 h HIS 17 Ca -0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1nn4 h HIS 17 Cb 0.47 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.05 1nn4 h HIS 17 CO -0.37 -0.15 0.25 0.93 0.86 0.00 0.00 177.93 179.45 1nn4 h GLU 18 N -0.02 1.00 -0.08 2.45 5.08 -1.87 0.47 114.58 121.61 1nn4 h GLU 18 Ca 0.16 -0.19 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 1nn4 h GLU 18 Cb 0.26 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1nn4 h GLU 18 CO -0.34 0.85 -0.86 0.82 -1.00 0.00 0.00 179.01 178.47 1nn4 h ILE 19 N 0.94 1.31 -0.47 3.13 5.03 -0.58 -2.37 117.51 124.51 1nn4 h ILE 19 Ca 0.22 -2.14 -0.04 0.00 -0.12 0.00 0.00 64.86 62.78 1nn4 h ILE 19 Cb 0.23 2.17 -0.02 0.00 -3.03 0.00 0.00 36.82 36.17 1nn4 h ILE 19 CO -0.02 0.66 0.14 0.58 -0.68 0.00 0.00 178.15 178.84 1nn4 h VAL 20 N 0.41 1.23 -0.48 1.67 2.07 -0.70 -1.64 116.25 118.81 1nn4 h VAL 20 Ca -0.07 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.76 1nn4 h VAL 20 Cb 1.49 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 1nn4 h VAL 20 CO 0.17 0.28 0.12 0.00 0.02 0.00 0.00 177.57 178.16 1nn4 h ALA 21 N 1.00 0.56 -0.56 1.67 0.00 -0.88 -1.71 119.26 119.33 1nn4 h ALA 21 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nn4 h ALA 21 Cb 0.28 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1nn4 h ALA 21 CO -0.00 -0.28 0.35 1.25 0.00 0.00 0.00 179.25 180.57 1nn4 h HIS 22 N 0.27 0.72 0.41 0.00 6.17 -1.07 -1.48 115.15 120.18 1nn4 h HIS 22 Ca 0.24 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.32 1nn4 h HIS 22 Cb 0.29 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.96 1nn4 h HIS 22 CO -0.20 0.48 -0.38 -0.07 0.71 0.00 0.00 177.93 178.47 1nn4 h LEU 23 N 0.76 -1.01 -0.94 0.26 3.38 -0.66 -1.12 115.31 115.98 1nn4 h LEU 23 Ca 0.20 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.43 1nn4 h LEU 23 Cb -0.05 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 1nn4 h LEU 23 CO -0.04 -0.53 0.52 0.58 0.09 0.00 0.00 178.44 179.06 1nn4 h VAL 24 N -0.80 0.69 0.00 1.22 2.07 -1.23 0.38 116.25 118.58 1nn4 h VAL 24 Ca -0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1nn4 h VAL 24 Cb 0.70 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1nn4 h VAL 24 CO -0.04 0.12 0.00 -0.08 0.02 0.00 0.00 177.57 177.59 1nn4 h GLU 25 N 0.67 0.00 -0.37 1.57 4.22 -0.57 0.04 114.58 120.14 1nn4 h GLU 25 Ca 0.54 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.98 1nn4 h GLU 25 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1nn4 h GLU 25 CO -0.39 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 176.98 1nn4 n ARG 26 N -2.53 2.12 -0.89 1.92 5.12 0.13 -4.91 116.66 117.62 1nn4 n ARG 26 Ca 0.02 -1.71 0.00 0.00 -1.93 0.00 0.00 57.85 54.23 1nn4 n ARG 26 Cb 0.25 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1nn4 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nn4 n GLY 27 N 1.30 0.49 3.87 -0.13 0.00 0.00 -4.70 105.19 106.02 1nn4 n GLY 27 Ca 0.17 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1nn4 n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nn4 s VAL 28 N -2.00 5.19 0.02 1.61 -7.23 -0.91 -4.92 120.40 112.15 1nn4 s VAL 28 Ca 0.00 -0.34 -0.22 0.00 -1.81 0.00 0.00 61.98 59.61 1nn4 s VAL 28 Cb 0.00 -3.46 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 1nn4 s VAL 28 CO 0.00 0.25 0.66 -0.70 -0.31 0.00 0.00 175.10 175.00 1nn4 s GLU 29 N -2.12 4.38 -0.20 4.82 2.12 0.17 -3.63 118.70 124.24 1nn4 s GLU 29 Ca 0.29 0.86 -0.02 0.00 0.36 0.00 0.00 54.97 56.46 1nn4 s GLU 29 Cb -0.13 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1nn4 s GLU 29 CO 0.21 0.35 -0.11 0.08 -0.54 0.00 0.00 175.26 175.25 1nn4 s VAL 30 N -0.19 2.84 -0.51 3.70 1.01 -1.26 -1.34 120.40 124.64 1nn4 s VAL 30 Ca 0.34 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1nn4 s VAL 30 Cb -0.19 -2.26 0.09 0.00 0.00 0.00 0.00 36.38 34.02 1nn4 s VAL 30 CO 0.19 0.47 0.51 -0.63 0.00 0.00 0.00 175.10 175.64 1nn4 s ILE 31 N 1.40 5.10 -0.30 2.22 1.09 -0.29 -4.94 121.20 125.48 1nn4 s ILE 31 Ca 0.05 -1.06 -0.29 0.00 -1.10 0.00 0.00 60.65 58.25 1nn4 s ILE 31 Cb -0.14 -4.26 -0.02 0.00 -1.06 0.00 0.00 42.46 36.98 1nn4 s ILE 31 CO -0.07 -0.77 1.69 -0.62 -0.10 0.00 0.00 174.94 175.06 1nn4 s ASP 32 N 3.02 6.12 0.00 3.58 3.68 -1.26 -0.13 116.67 131.68 1nn4 s ASP 32 Ca 0.07 1.36 0.23 0.00 2.13 0.00 0.00 52.55 56.33 1nn4 s ASP 32 Cb -0.25 -2.53 0.03 0.00 -1.45 0.00 0.00 42.92 38.72 1nn4 s ASP 32 CO 0.07 -1.51 1.09 0.29 0.13 0.00 0.00 175.17 175.23 1nn4 n LYS 33 N 8.12 0.42 0.00 4.34 4.76 0.22 -4.94 118.16 131.08 1nn4 n LYS 33 Ca 0.21 -0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1nn4 n LYS 33 Cb 0.46 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1nn4 n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nn4 n GLY 34 N 1.46 0.95 0.22 0.72 0.00 -1.25 -4.89 105.19 102.41 1nn4 n GLY 34 Ca 0.06 -2.22 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 1nn4 n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nn4 n THR 35 N -0.50 0.00 -0.06 2.61 -1.04 -0.90 0.21 114.28 114.60 1nn4 n THR 35 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1nn4 n THR 35 Cb 0.00 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1nn4 n THR 35 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1nn4 n TRP 36 N -1.83 0.00 -3.43 -1.42 8.01 -1.26 -4.90 117.44 112.61 1nn4 n TRP 36 Ca 0.01 -0.47 -0.03 0.00 -1.31 0.00 0.00 57.50 55.71 1nn4 n TRP 36 Cb 0.03 -0.05 0.00 0.00 -2.01 0.00 0.00 31.31 29.29 1nn4 n TRP 36 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1nn4 n SER 37 N -0.47 -0.46 -1.38 -0.99 3.41 -1.26 -5.04 113.62 107.44 1nn4 n SER 37 Ca 0.00 -1.43 0.08 0.00 -0.26 0.00 0.00 58.87 57.26 1nn4 n SER 37 Cb 0.26 0.80 0.33 0.00 -0.26 0.00 0.00 64.21 65.34 1nn4 n SER 37 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nn4 n SER 38 N -1.54 4.71 -4.73 4.04 3.41 -1.26 -4.64 113.62 113.60 1nn4 n SER 38 Ca -0.01 -2.85 -0.41 0.00 -0.26 0.00 0.00 58.87 55.34 1nn4 n SER 38 Cb 0.15 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.47 1nn4 n SER 38 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nn4 s GLU 39 N -2.57 4.58 0.22 4.33 0.41 -1.26 -4.90 118.70 119.51 1nn4 s GLU 39 Ca 0.47 1.69 -0.31 0.00 -0.41 0.00 0.00 54.97 56.41 1nn4 s GLU 39 Cb 0.36 -3.30 -0.15 0.00 -1.78 0.00 0.00 34.13 29.26 1nn4 s GLU 39 CO 0.14 0.05 1.16 -2.13 -0.49 0.00 0.00 175.26 173.99 1nn4 n ARG 40 N 2.64 1.36 -3.54 1.61 0.63 -1.26 -4.62 116.66 113.48 1nn4 n ARG 40 Ca 0.03 0.48 -0.12 0.00 -0.92 0.00 0.00 57.85 57.33 1nn4 n ARG 40 Cb 0.47 -1.97 -0.04 0.00 0.45 0.00 0.00 32.46 31.37 1nn4 n ARG 40 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1nn4 s THR 41 N -0.41 0.03 0.29 5.15 -1.32 -1.26 -5.03 115.64 113.10 1nn4 s THR 41 Ca 0.68 -0.26 -0.28 0.00 -1.21 0.00 0.00 61.69 60.62 1nn4 s THR 41 Cb -0.78 -1.05 -0.09 0.00 -1.51 0.00 0.00 72.50 69.07 1nn4 s THR 41 CO 0.54 -0.15 0.98 1.51 -2.21 0.00 0.00 174.62 175.29 1nn4 s ASP 42 N -2.55 7.38 0.08 8.08 -4.77 -1.26 -4.65 116.67 118.98 1nn4 s ASP 42 Ca -0.00 1.97 0.14 0.00 -3.30 0.00 0.00 52.55 51.36 1nn4 s ASP 42 Cb 0.00 -2.60 -0.14 0.00 -1.09 0.00 0.00 42.92 39.09 1nn4 s ASP 42 CO -0.09 -0.04 0.94 0.10 0.70 0.00 0.00 175.17 176.78 1nn4 h TYR 43 N 3.56 0.00 -0.93 2.11 -0.00 -2.01 -3.36 116.97 116.34 1nn4 h TYR 43 Ca -0.46 0.00 0.13 0.00 0.00 0.00 0.00 58.73 58.39 1nn4 h TYR 43 Cb 1.20 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.84 1nn4 h TYR 43 CO 0.60 0.73 0.55 -1.35 -0.00 0.00 0.00 178.16 178.70 1nn4 h PRO 44 N 0.00 0.82 -0.27 0.10 0.11 -1.94 -1.11 132.00 129.72 1nn4 h PRO 44 Ca -0.15 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.95 1nn4 h PRO 44 Cb 1.69 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.57 1nn4 h PRO 44 CO 0.07 0.54 0.03 1.25 -0.21 0.00 0.00 178.00 179.68 1nn4 h HIS 45 N 0.85 0.04 -0.22 0.65 -0.00 -1.99 0.19 115.15 114.67 1nn4 h HIS 45 Ca 0.48 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.73 1nn4 h HIS 45 Cb 0.53 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 1nn4 h HIS 45 CO -0.03 -0.01 -0.43 1.88 -0.00 0.00 0.00 177.93 179.33 1nn4 h TYR 46 N 0.12 0.65 -0.46 5.26 -1.99 -1.55 0.65 116.97 119.65 1nn4 h TYR 46 Ca 0.12 -0.20 -0.09 0.00 2.00 0.00 0.00 58.73 60.57 1nn4 h TYR 46 Cb 0.14 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1nn4 h TYR 46 CO -0.18 0.88 -0.07 0.00 -0.00 0.00 0.00 178.16 178.80 1nn4 h ALA 47 N 1.09 1.01 -0.44 3.88 0.00 -0.90 -1.98 119.26 121.92 1nn4 h ALA 47 Ca 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1nn4 h ALA 47 Cb 0.94 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nn4 h ALA 47 CO 0.08 0.60 -0.06 1.03 0.00 0.00 0.00 179.25 180.90 1nn4 h SER 48 N 0.74 0.81 0.32 0.00 0.87 -0.20 0.31 113.55 116.40 1nn4 h SER 48 Ca 0.13 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1nn4 h SER 48 Cb 0.54 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1nn4 h SER 48 CO 0.03 0.96 -0.19 -0.61 -0.53 0.00 0.00 176.83 176.50 1nn4 h GLN 49 N 0.65 -0.46 -0.46 2.24 5.75 -0.61 -2.01 115.11 120.21 1nn4 h GLN 49 Ca 0.12 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.57 1nn4 h GLN 49 Cb 0.59 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1nn4 h GLN 49 CO 0.04 -0.31 -0.05 0.28 -2.65 0.00 0.00 178.83 176.14 1nn4 h VAL 50 N -0.48 1.25 0.34 2.39 2.07 -1.36 -2.95 116.25 117.50 1nn4 h VAL 50 Ca -0.04 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1nn4 h VAL 50 Cb 0.39 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1nn4 h VAL 50 CO 0.04 0.37 -0.22 0.00 0.02 0.00 0.00 177.57 177.79 1nn4 h ALA 51 N 1.23 -0.53 -0.74 1.67 0.00 -0.76 -1.54 119.26 118.60 1nn4 h ALA 51 Ca 0.13 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1nn4 h ALA 51 Cb 0.51 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1nn4 h ALA 51 CO 0.03 -0.81 0.49 -0.07 0.00 0.00 0.00 179.25 178.88 1nn4 h LEU 52 N -0.54 0.50 -0.18 0.00 3.38 -1.36 0.38 115.31 117.48 1nn4 h LEU 52 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1nn4 h LEU 52 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1nn4 h LEU 52 CO 0.03 0.28 0.03 0.00 0.09 0.00 0.00 178.44 178.87 1nn4 h ALA 53 N 1.64 0.25 -0.23 1.53 0.00 -1.25 0.29 119.26 121.49 1nn4 h ALA 53 Ca 0.35 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1nn4 h ALA 53 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nn4 h ALA 53 CO -0.12 -0.08 -0.15 0.28 0.00 0.00 0.00 179.25 179.17 1nn4 h VAL 54 N 0.10 1.31 0.00 0.00 2.07 -0.41 -2.02 116.25 117.30 1nn4 h VAL 54 Ca 0.06 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1nn4 h VAL 54 Cb 0.31 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1nn4 h VAL 54 CO 0.00 0.39 -0.27 0.00 0.02 0.00 0.00 177.57 177.71 1nn4 h ALA 55 N 0.69 1.47 -0.48 1.67 0.00 -0.22 -2.97 119.26 119.42 1nn4 h ALA 55 Ca 0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1nn4 h ALA 55 Cb 0.67 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1nn4 h ALA 55 CO 0.04 0.34 0.09 0.41 0.00 0.00 0.00 179.25 180.14 1nn4 n GLY 56 N -0.66 2.83 3.71 0.00 0.00 0.10 -4.90 105.19 106.27 1nn4 n GLY 56 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1nn4 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nn4 n GLY 57 N 0.23 0.16 0.34 -0.02 0.00 -1.12 -4.82 105.19 99.96 1nn4 n GLY 57 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1nn4 n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nn4 h GLU 58 N 0.47 1.02 -4.99 1.61 5.08 -1.61 -3.45 114.58 112.70 1nn4 h GLU 58 Ca 0.00 -0.10 -0.37 0.00 -1.00 0.00 0.00 59.36 57.89 1nn4 h GLU 58 Cb 0.10 -0.21 -0.14 0.00 0.50 0.00 0.00 28.75 29.00 1nn4 h GLU 58 CO 0.00 0.74 -0.64 0.14 -1.00 0.00 0.00 179.01 178.25 1nn4 s VAL 59 N -5.71 0.84 -0.56 3.13 -7.23 -1.08 -5.02 120.40 104.76 1nn4 s VAL 59 Ca -0.11 -2.01 0.24 0.00 -1.81 0.00 0.00 61.98 58.29 1nn4 s VAL 59 Cb 0.17 -2.47 0.25 0.00 0.56 0.00 0.00 36.38 34.89 1nn4 s VAL 59 CO 0.80 -0.20 1.58 0.44 -0.31 0.00 0.00 175.10 177.41 1nn4 h ASP 60 N 2.43 0.00 -5.96 4.85 3.32 -0.10 -3.43 116.42 117.54 1nn4 h ASP 60 Ca -0.38 -0.03 0.40 0.00 0.02 0.00 0.00 57.03 57.04 1nn4 h ASP 60 Cb 1.23 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.69 1nn4 h ASP 60 CO 0.64 0.01 0.99 -0.83 -1.72 0.00 0.00 179.24 178.34 1nn4 s GLY 61 N -3.91 -0.25 0.04 2.75 0.00 -1.22 -4.95 107.32 99.79 1nn4 s GLY 61 Ca 0.08 0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.09 1nn4 s GLY 61 CO 0.66 5.63 -0.08 -0.32 0.00 0.00 0.00 173.10 178.99 1nn4 s GLY 62 N -3.79 0.50 -0.10 0.20 0.00 -0.52 -0.77 107.32 102.85 1nn4 s GLY 62 Ca 0.29 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.24 1nn4 s GLY 62 CO -0.03 -0.83 -0.09 -0.42 0.00 0.00 0.00 173.10 171.72 1nn4 s ILE 63 N -1.45 1.07 0.05 0.90 1.01 -0.77 -0.01 121.20 121.99 1nn4 s ILE 63 Ca -0.10 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1nn4 s ILE 63 Cb -0.10 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1nn4 s ILE 63 CO 0.00 0.36 -0.23 -0.76 0.00 0.00 0.00 174.94 174.31 1nn4 s LEU 64 N 1.31 2.17 -0.02 2.97 1.43 0.48 -1.80 118.68 125.23 1nn4 s LEU 64 Ca -0.02 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1nn4 s LEU 64 Cb -0.14 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 44.99 1nn4 s LEU 64 CO -0.04 0.20 -0.03 -0.63 0.23 0.00 0.00 176.35 176.08 1nn4 s ILE 65 N -0.82 0.34 0.30 -0.59 1.01 -0.98 -2.87 121.20 117.59 1nn4 s ILE 65 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 1nn4 s ILE 65 Cb -0.09 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 1nn4 s ILE 65 CO 0.02 0.14 0.43 0.00 0.00 0.00 0.00 174.94 175.52 1nn4 h GLY 67 N 2.21 1.82 0.00 0.00 0.00 -1.88 -2.43 103.07 102.79 1nn4 h GLY 67 Ca -0.29 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1nn4 h GLY 67 CO 0.40 -0.60 -0.84 -0.37 0.00 0.00 0.00 176.54 175.14 1nn4 n THR 68 N -5.27 0.00 0.00 4.70 5.66 -1.26 -1.08 114.28 117.03 1nn4 n THR 68 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1nn4 n THR 68 Cb 0.99 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.99 1nn4 n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nn4 n GLY 69 N 2.17 2.59 0.06 1.09 0.00 -1.19 -2.06 105.19 107.85 1nn4 n GLY 69 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1nn4 n GLY 69 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nn4 h VAL 70 N 0.00 1.24 0.00 1.61 2.07 -1.91 -2.06 116.25 117.19 1nn4 h VAL 70 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1nn4 h VAL 70 Cb 0.00 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1nn4 h VAL 70 CO 0.00 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1nn4 n GLY 71 N -0.21 -2.92 0.37 2.17 0.00 -1.26 -0.97 105.19 102.37 1nn4 n GLY 71 Ca -0.08 0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.41 1nn4 n GLY 71 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1nn4 h ILE 72 N 0.00 0.86 0.00 -0.61 -0.00 -1.88 -1.09 117.51 114.78 1nn4 h ILE 72 Ca 0.00 -0.23 -0.07 0.00 -0.00 0.00 0.00 64.86 64.56 1nn4 h ILE 72 Cb 0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 36.82 36.94 1nn4 h ILE 72 CO 0.00 0.12 -0.35 0.77 -0.00 0.00 0.00 178.15 178.69 1nn4 h SER 73 N 0.67 0.00 -0.16 2.16 4.64 -1.02 0.79 113.55 120.62 1nn4 h SER 73 Ca 0.42 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.51 1nn4 h SER 73 Cb 0.66 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1nn4 h SER 73 CO -0.18 0.35 -0.76 0.40 -0.87 0.00 0.00 176.83 175.78 1nn4 h ILE 74 N 0.00 1.27 -0.47 0.95 2.04 0.21 -2.49 117.51 119.03 1nn4 h ILE 74 Ca -0.00 -1.95 -0.04 0.00 1.00 0.00 0.00 64.86 63.87 1nn4 h ILE 74 Cb 0.65 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1nn4 h ILE 74 CO 0.05 0.62 0.14 0.00 0.00 0.00 0.00 178.15 178.96 1nn4 h ALA 75 N 0.56 0.61 -0.64 1.87 0.00 -0.94 -2.95 119.26 117.77 1nn4 h ALA 75 Ca -0.05 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1nn4 h ALA 75 Cb 1.39 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1nn4 h ALA 75 CO 0.16 0.27 0.40 0.00 0.00 0.00 0.00 179.25 180.08 1nn4 h ALA 76 N 1.00 0.83 0.00 0.00 0.00 -0.83 -1.88 119.26 118.37 1nn4 h ALA 76 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nn4 h ALA 76 Cb 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nn4 h ALA 76 CO -0.00 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.49 1nn4 n ASN 77 N -4.70 0.00 0.04 0.00 5.03 -0.94 -1.71 115.26 112.98 1nn4 n ASN 77 Ca 0.06 0.43 0.13 0.00 0.87 0.00 0.00 54.58 56.07 1nn4 n ASN 77 Cb 0.07 -0.46 0.44 0.00 -1.02 0.00 0.00 39.78 38.81 1nn4 n ASN 77 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nn4 n LYS 78 N -1.46 0.11 -3.19 3.52 4.76 -0.71 -4.81 118.16 116.38 1nn4 n LYS 78 Ca 0.03 0.07 -0.39 0.00 -2.87 0.00 0.00 58.31 55.15 1nn4 n LYS 78 Cb 0.10 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 1nn4 n LYS 78 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1nn4 s PHE 79 N -3.05 3.73 0.44 2.13 0.40 -0.69 -5.03 117.98 115.91 1nn4 s PHE 79 Ca 0.12 1.26 -0.25 0.00 -0.60 0.00 0.00 56.93 57.46 1nn4 s PHE 79 Cb 0.16 -2.61 -0.08 0.00 0.51 0.00 0.00 43.02 41.00 1nn4 s PHE 79 CO 0.60 0.41 1.42 0.00 0.70 0.00 0.00 175.22 178.35 1nn4 s ALA 80 N -0.45 3.26 0.00 5.36 0.00 -1.26 -2.29 121.76 126.37 1nn4 s ALA 80 Ca 0.31 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1nn4 s ALA 80 Cb -0.19 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1nn4 s ALA 80 CO 0.19 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1nn4 n GLY 81 N 0.58 0.83 3.57 0.00 0.00 -1.26 -4.88 105.19 104.03 1nn4 n GLY 81 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1nn4 n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nn4 s ILE 82 N -3.37 4.03 -0.31 -0.61 -1.09 -0.97 -4.84 121.20 114.04 1nn4 s ILE 82 Ca 0.00 -0.33 -0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1nn4 s ILE 82 Cb 0.00 -2.73 0.10 0.00 -1.58 0.00 0.00 42.46 38.25 1nn4 s ILE 82 CO 0.00 0.54 0.10 -0.13 -1.23 0.00 0.00 174.94 174.22 1nn4 s ARG 83 N -0.18 0.76 -0.12 2.79 0.52 -1.26 -4.72 118.95 116.73 1nn4 s ARG 83 Ca 0.04 -1.13 -0.06 0.00 -0.52 0.00 0.00 55.73 54.06 1nn4 s ARG 83 Cb -0.13 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 1nn4 s ARG 83 CO 0.02 -0.99 0.11 0.00 0.02 0.00 0.00 175.30 174.46 1nn4 s ALA 84 N 1.56 3.73 -0.16 2.13 0.00 -1.26 -1.51 121.76 126.25 1nn4 s ALA 84 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1nn4 s ALA 84 Cb -0.17 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.06 1nn4 s ALA 84 CO -0.24 0.57 -0.15 0.54 0.00 0.00 0.00 175.76 176.48 1nn4 s VAL 85 N -0.86 2.67 -0.16 0.00 0.11 -0.01 -4.97 120.40 117.18 1nn4 s VAL 85 Ca 0.14 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1nn4 s VAL 85 Cb -0.12 -2.13 -0.02 0.00 -1.53 0.00 0.00 36.38 32.59 1nn4 s VAL 85 CO 0.03 0.51 -0.09 0.54 -3.33 0.00 0.00 175.10 172.77 1nn4 s VAL 86 N 0.86 3.32 0.34 2.04 0.11 -1.26 -0.74 120.40 125.06 1nn4 s VAL 86 Ca -0.04 -0.55 -0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1nn4 s VAL 86 Cb -0.15 -2.44 0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1nn4 s VAL 86 CO -0.01 0.49 0.56 0.00 -3.33 0.00 0.00 175.10 172.81 1nn4 n SER 88 N -1.21 0.73 -3.59 0.00 3.41 -1.26 -4.58 113.62 107.12 1nn4 n SER 88 Ca -0.02 -2.34 -0.12 0.00 -0.26 0.00 0.00 58.87 56.13 1nn4 n SER 88 Cb 0.61 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1nn4 n SER 88 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1nn4 s GLU 89 N -0.83 1.07 0.22 4.33 4.04 -1.26 -5.02 118.70 121.26 1nn4 s GLU 89 Ca 0.12 -0.52 -0.06 0.00 0.04 0.00 0.00 54.97 54.55 1nn4 s GLU 89 Cb 0.12 0.48 0.19 0.00 0.02 0.00 0.00 34.13 34.94 1nn4 s GLU 89 CO -0.01 -0.42 1.70 -1.35 -1.84 0.00 0.00 175.26 173.35 1nn4 h PRO 90 N 2.48 0.98 -0.28 -4.83 0.11 -1.90 -3.32 132.00 125.25 1nn4 h PRO 90 Ca -0.33 -0.28 0.07 0.00 0.11 0.00 0.00 66.00 65.57 1nn4 h PRO 90 Cb 1.25 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1nn4 h PRO 90 CO 0.44 0.94 -0.19 -0.92 -0.21 0.00 0.00 178.00 178.06 1nn4 h TYR 91 N 0.91 -0.48 -0.63 0.65 3.20 -1.97 -0.67 116.97 117.97 1nn4 h TYR 91 Ca 0.17 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1nn4 h TYR 91 Cb 0.48 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1nn4 h TYR 91 CO 0.03 -0.27 0.31 0.77 -1.64 0.00 0.00 178.16 177.37 1nn4 h SER 92 N -0.17 0.79 -0.19 -2.11 0.02 -2.00 -1.12 113.55 108.77 1nn4 h SER 92 Ca 0.15 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1nn4 h SER 92 Cb 0.40 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1nn4 h SER 92 CO -0.38 0.67 0.05 0.00 -1.14 0.00 0.00 176.83 176.02 1nn4 h ALA 93 N 1.46 0.25 -0.08 3.77 0.00 -1.51 -1.70 119.26 121.45 1nn4 h ALA 93 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nn4 h ALA 93 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nn4 h ALA 93 CO -0.03 -0.10 0.03 0.37 0.00 0.00 0.00 179.25 179.52 1nn4 h GLN 94 N 0.13 0.13 -0.54 0.00 4.15 -0.87 -2.75 115.11 115.35 1nn4 h GLN 94 Ca 0.06 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 1nn4 h GLN 94 Cb 0.27 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1nn4 h GLN 94 CO 0.00 0.27 0.03 1.25 -1.93 0.00 0.00 178.83 178.45 1nn4 h LEU 95 N -0.04 0.92 -2.40 -2.39 5.85 -1.25 -1.75 115.31 114.24 1nn4 h LEU 95 Ca 0.03 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1nn4 h LEU 95 Cb 0.19 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1nn4 h LEU 95 CO -0.00 0.98 -0.02 0.77 -0.34 0.00 0.00 178.44 179.84 1nn4 h SER 96 N 0.82 0.00 0.00 1.25 4.64 -1.28 0.43 113.55 119.41 1nn4 h SER 96 Ca 0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1nn4 h SER 96 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1nn4 h SER 96 CO 0.02 0.02 -0.00 -0.09 -0.87 0.00 0.00 176.83 175.91 1nn4 h ARG 97 N 0.00 -0.00 0.00 4.77 9.65 -1.12 -1.71 114.38 125.96 1nn4 h ARG 97 Ca -0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1nn4 h ARG 97 Cb 0.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1nn4 h ARG 97 CO 0.00 0.90 -0.26 -0.56 2.80 0.00 0.00 179.97 182.85 1nn4 h GLN 98 N -0.95 0.00 0.00 0.20 3.07 -0.69 -2.32 115.11 114.43 1nn4 h GLN 98 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 1nn4 h GLN 98 Cb 0.91 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.42 1nn4 h GLN 98 CO 0.00 0.26 -1.88 0.72 0.09 0.00 0.00 178.83 178.02 1nn4 n HIS 99 N -3.18 0.00 -0.09 0.06 8.25 0.14 -0.77 115.22 119.64 1nn4 n HIS 99 Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.50 1nn4 n HIS 99 Cb 0.61 -0.61 0.04 0.00 1.12 0.00 0.00 29.99 31.14 1nn4 n HIS 99 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nn4 n ASN 100 N -2.43 2.20 -4.31 0.41 3.02 -0.70 -4.85 115.26 108.59 1nn4 n ASN 100 Ca -0.19 -2.06 -0.31 0.00 -0.03 0.00 0.00 54.58 51.99 1nn4 n ASN 100 Cb 0.87 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.87 1nn4 n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1nn4 n ASP 101 N -0.36 0.81 -4.74 6.41 4.64 -0.87 -4.81 116.55 117.63 1nn4 n ASP 101 Ca 0.03 -1.27 -0.42 0.00 -1.38 0.00 0.00 54.79 51.76 1nn4 n ASP 101 Cb 0.30 -1.58 -0.02 0.00 -1.04 0.00 0.00 41.12 38.79 1nn4 n ASP 101 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1nn4 s THR 102 N -4.32 2.37 -0.66 5.18 -1.32 -0.85 -4.88 115.64 111.16 1nn4 s THR 102 Ca 0.04 0.30 0.07 0.00 -1.21 0.00 0.00 61.69 60.89 1nn4 s THR 102 Cb -0.02 -3.19 0.17 0.00 -1.51 0.00 0.00 72.50 67.94 1nn4 s THR 102 CO 0.99 0.04 1.07 -0.46 -2.21 0.00 0.00 174.62 174.05 1nn4 n ASN 103 N 2.77 2.38 -3.78 8.08 0.23 -0.57 -4.83 115.26 119.54 1nn4 n ASN 103 Ca 0.10 -1.85 -0.14 0.00 -0.53 0.00 0.00 54.58 52.16 1nn4 n ASN 103 Cb 0.38 -0.12 -0.15 0.00 -2.08 0.00 0.00 39.78 37.82 1nn4 n ASN 103 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1nn4 s VAL 104 N -0.91 -0.04 -0.05 3.53 1.01 -1.07 -1.44 120.40 121.42 1nn4 s VAL 104 Ca 0.13 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1nn4 s VAL 104 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 1nn4 s VAL 104 CO 0.10 0.06 -0.21 -0.22 0.00 0.00 0.00 175.10 174.83 1nn4 s LEU 105 N 0.88 2.32 0.04 3.92 0.20 0.98 -0.83 118.68 126.18 1nn4 s LEU 105 Ca -0.07 -0.39 -0.00 0.00 0.69 0.00 0.00 54.13 54.36 1nn4 s LEU 105 Cb -0.09 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 1nn4 s LEU 105 CO -0.04 0.29 -0.03 0.00 -0.29 0.00 0.00 176.35 176.28 1nn4 s ALA 106 N -0.44 0.35 0.02 5.97 0.00 0.08 -0.38 121.76 127.35 1nn4 s ALA 106 Ca 0.05 -0.92 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1nn4 s ALA 106 Cb -0.12 0.20 0.10 0.00 0.00 0.00 0.00 23.12 23.30 1nn4 s ALA 106 CO 0.01 -0.26 0.91 -0.59 0.00 0.00 0.00 175.76 175.83 1nn4 s PHE 107 N -2.70 -0.30 -0.17 0.00 -0.71 -1.14 -2.74 117.98 110.22 1nn4 s PHE 107 Ca -0.04 0.14 -0.07 0.00 -1.04 0.00 0.00 56.93 55.92 1nn4 s PHE 107 Cb -0.01 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1nn4 s PHE 107 CO -0.05 -0.59 0.08 0.20 -1.34 0.00 0.00 175.22 173.52 1nn4 s GLY 108 N -2.56 1.96 0.31 1.99 0.00 -0.87 -3.42 107.32 104.72 1nn4 s GLY 108 Ca 0.06 -0.73 0.25 0.00 0.00 0.00 0.00 44.72 44.31 1nn4 s GLY 108 CO -0.07 -0.05 1.75 1.48 0.00 0.00 0.00 173.10 176.22 1nn4 h SER 109 N 6.32 0.00 -0.02 1.64 4.64 -1.02 0.01 113.55 125.11 1nn4 h SER 109 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1nn4 h SER 109 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1nn4 h SER 109 CO 0.68 0.00 -0.05 0.54 -0.87 0.00 0.00 176.83 177.14 1nn4 n ARG 110 N -2.36 1.73 -0.06 4.77 5.12 -0.24 -4.44 116.66 121.17 1nn4 n ARG 110 Ca 0.01 -1.59 -0.08 0.00 -1.93 0.00 0.00 57.85 54.26 1nn4 n ARG 110 Cb 0.21 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 30.07 1nn4 n ARG 110 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1nn4 n VAL 111 N 0.98 0.71 -4.66 1.55 0.31 -0.70 -5.03 118.33 111.48 1nn4 n VAL 111 Ca 0.11 -0.31 -0.26 0.00 -0.01 0.00 0.00 64.34 63.87 1nn4 n VAL 111 Cb 0.48 -0.89 -0.14 0.00 -0.91 0.00 0.00 33.84 32.38 1nn4 n VAL 111 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1nn4 s VAL 112 N -2.25 1.78 0.76 2.52 0.11 -0.09 -5.02 120.40 118.20 1nn4 s VAL 112 Ca -0.14 -1.28 -0.12 0.00 -2.93 0.00 0.00 61.98 57.52 1nn4 s VAL 112 Cb 0.04 -1.55 0.05 0.00 -1.53 0.00 0.00 36.38 33.39 1nn4 s VAL 112 CO 0.32 0.21 1.14 -0.83 -3.33 0.00 0.00 175.10 172.61 1nn4 s GLY 113 N -1.27 1.61 0.21 6.54 0.00 -1.26 -4.64 107.32 108.51 1nn4 s GLY 113 Ca 0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 44.72 44.22 1nn4 s GLY 113 CO 0.02 -0.07 1.80 -2.00 0.00 0.00 0.00 173.10 172.86 1nn4 h LEU 114 N -0.86 0.55 -0.58 0.66 5.85 -1.98 -1.68 115.31 117.27 1nn4 h LEU 114 Ca -0.45 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.15 1nn4 h LEU 114 Cb 1.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1nn4 h LEU 114 CO 0.65 0.35 -0.55 -0.33 -0.34 0.00 0.00 178.44 178.22 1nn4 h GLU 115 N 0.69 0.46 -0.42 1.25 4.39 -1.99 -1.05 114.58 117.90 1nn4 h GLU 115 Ca 0.31 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 1nn4 h GLU 115 Cb 0.22 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1nn4 h GLU 115 CO -0.20 0.89 -0.15 1.25 -1.16 0.00 0.00 179.01 179.64 1nn4 h LEU 116 N 0.36 0.87 -0.28 1.33 6.46 -1.91 -1.73 115.31 120.41 1nn4 h LEU 116 Ca 0.01 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.39 1nn4 h LEU 116 Cb 1.07 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1nn4 h LEU 116 CO 0.10 1.05 0.16 0.00 -0.62 0.00 0.00 178.44 179.13 1nn4 h ALA 117 N 0.84 0.34 -0.58 1.25 0.00 -1.15 -0.28 119.26 119.68 1nn4 h ALA 117 Ca 0.10 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1nn4 h ALA 117 Cb 0.70 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1nn4 h ALA 117 CO 0.05 -0.23 0.21 0.87 0.00 0.00 0.00 179.25 180.16 1nn4 h LYS 118 N 0.32 0.38 -0.38 0.00 1.57 -1.02 0.35 116.57 117.79 1nn4 h LYS 118 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1nn4 h LYS 118 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1nn4 h LYS 118 CO -0.06 0.25 0.22 1.98 -0.57 0.00 0.00 179.45 181.28 1nn4 h MET 119 N 0.40 0.53 -0.26 3.15 4.05 -0.77 0.11 114.93 122.12 1nn4 h MET 119 Ca 0.29 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.69 1nn4 h MET 119 Cb 0.34 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1nn4 h MET 119 CO -0.29 0.42 0.04 0.82 0.23 0.00 0.00 176.91 178.12 1nn4 h ILE 120 N 0.49 0.86 -0.17 1.77 2.04 -0.21 -0.50 117.51 121.78 1nn4 h ILE 120 Ca 0.14 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 1nn4 h ILE 120 Cb 0.03 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1nn4 h ILE 120 CO -0.02 0.02 -0.28 -0.37 0.00 0.00 0.00 178.15 177.50 1nn4 h VAL 121 N 0.13 1.26 -0.95 1.67 -1.51 -0.65 -1.77 116.25 114.44 1nn4 h VAL 121 Ca 0.12 -1.25 -0.00 0.00 -1.23 0.00 0.00 66.70 64.34 1nn4 h VAL 121 Cb 0.14 1.45 -0.05 0.00 -2.13 0.00 0.00 31.29 30.70 1nn4 h VAL 121 CO -0.17 0.38 0.58 0.44 -1.23 0.00 0.00 177.57 177.57 1nn4 h ASP 122 N 0.29 1.13 0.29 4.19 3.32 0.06 -0.02 116.42 125.69 1nn4 h ASP 122 Ca 0.04 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1nn4 h ASP 122 Cb 0.65 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1nn4 h ASP 122 CO 0.05 0.85 -0.52 0.00 -1.72 0.00 0.00 179.24 177.90 1nn4 h ALA 123 N 1.34 0.94 -0.00 3.45 0.00 -0.53 -2.59 119.26 121.88 1nn4 h ALA 123 Ca 0.34 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1nn4 h ALA 123 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1nn4 h ALA 123 CO -0.07 0.67 -0.09 2.35 0.00 0.00 0.00 179.25 182.11 1nn4 h TRP 124 N 0.20 0.10 -0.34 0.00 7.01 -0.84 -3.06 115.95 119.02 1nn4 h TRP 124 Ca 0.00 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 60.96 1nn4 h TRP 124 Cb 0.99 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 1nn4 h TRP 124 CO 0.02 0.84 0.22 -0.07 -2.79 0.00 0.00 178.44 176.66 1nn4 h LEU 125 N -0.68 0.36 -0.04 0.65 3.38 -1.07 -3.14 115.31 114.78 1nn4 h LEU 125 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1nn4 h LEU 125 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1nn4 h LEU 125 CO 0.02 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1nn4 n GLY 126 N -1.19 -1.65 3.83 0.83 0.00 -0.97 -1.06 105.19 104.97 1nn4 n GLY 126 Ca -0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1nn4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nn4 s ALA 127 N -3.10 3.07 0.05 4.61 0.00 -1.15 -4.71 121.76 120.52 1nn4 s ALA 127 Ca 0.11 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.47 1nn4 s ALA 127 Cb 0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 1nn4 s ALA 127 CO 0.57 0.05 -0.23 -0.65 0.00 0.00 0.00 175.76 175.50 1nn4 s GLN 128 N -3.40 1.54 -0.02 0.00 -0.21 -1.26 -4.85 119.66 111.46 1nn4 s GLN 128 Ca 0.61 -1.05 -0.30 0.00 0.02 0.00 0.00 55.36 54.64 1nn4 s GLN 128 Cb -0.09 -1.72 -0.06 0.00 1.00 0.00 0.00 33.01 32.14 1nn4 s GLN 128 CO 0.18 0.44 1.56 -0.47 -2.12 0.00 0.00 175.29 174.87 1nn4 s TYR 129 N -0.84 2.38 -1.42 0.91 5.04 -1.24 -3.91 117.35 118.26 1nn4 s TYR 129 Ca 0.10 0.45 0.30 0.00 -2.44 0.00 0.00 57.07 55.48 1nn4 s TYR 129 Cb -0.09 -3.83 1.51 0.00 0.35 0.00 0.00 41.96 39.90 1nn4 s TYR 129 CO 0.02 -3.32 2.05 0.39 -1.34 0.00 0.00 175.55 173.35 1nn4 n GLU 130 N 6.25 0.42 0.00 4.97 1.02 0.05 -4.99 120.64 128.37 1nn4 n GLU 130 Ca 0.16 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1nn4 n GLU 130 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1nn4 n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nn4 n GLY 131 N 1.29 2.32 7.00 0.62 0.00 -1.26 -4.87 105.19 110.29 1nn4 n GLY 131 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nn4 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nn4 n GLY 132 N 0.00 1.94 0.20 -0.02 0.00 -1.26 -2.47 105.19 103.58 1nn4 n GLY 132 Ca 0.00 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.67 1nn4 n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nn4 h ARG 133 N 0.00 0.00 0.00 1.61 0.11 -2.01 -2.30 114.38 111.79 1nn4 h ARG 133 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 1nn4 h ARG 133 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1nn4 h ARG 133 CO 0.00 0.00 -0.49 0.45 0.10 0.00 0.00 179.97 180.03 1nn4 h HIS 134 N 0.00 0.00 -0.10 4.08 3.86 -1.81 -3.21 115.15 117.96 1nn4 h HIS 134 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1nn4 h HIS 134 Cb 0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1nn4 h HIS 134 CO 0.00 0.49 0.15 1.96 0.86 0.00 0.00 177.93 181.38 1nn4 h GLN 135 N 0.00 0.00 -0.01 2.45 4.20 -1.57 -1.82 115.11 118.36 1nn4 h GLN 135 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1nn4 h GLN 135 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1nn4 h GLN 135 CO 0.06 0.00 -0.15 0.37 -0.67 0.00 0.00 178.83 178.45 1nn4 h GLN 136 N 0.00 0.12 -0.95 1.46 4.15 -1.77 -0.22 115.11 117.89 1nn4 h GLN 136 Ca 0.05 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.43 1nn4 h GLN 136 Cb 0.34 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 1nn4 h GLN 136 CO -0.00 0.83 0.61 0.00 -1.93 0.00 0.00 178.83 178.34 1nn4 h ARG 137 N -0.55 1.05 -0.21 1.69 -0.00 -1.51 0.66 114.38 115.51 1nn4 h ARG 137 Ca -0.02 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.98 59.32 1nn4 h ARG 137 Cb 0.87 -0.24 -0.00 0.00 0.00 0.00 0.00 29.97 30.60 1nn4 h ARG 137 CO 0.03 0.70 -0.20 0.28 0.00 0.00 0.00 179.97 180.78 1nn4 h VAL 138 N 1.09 1.32 -0.77 2.04 2.07 -1.42 -2.58 116.25 118.00 1nn4 h VAL 138 Ca 0.42 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1nn4 h VAL 138 Cb 0.21 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1nn4 h VAL 138 CO -0.18 0.41 0.51 -0.33 0.02 0.00 0.00 177.57 178.00 1nn4 h GLU 139 N 0.18 0.98 -0.14 1.57 3.07 -0.42 0.10 114.58 119.92 1nn4 h GLU 139 Ca 0.03 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1nn4 h GLU 139 Cb 0.74 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1nn4 h GLU 139 CO 0.05 0.65 -0.09 0.00 -1.40 0.00 0.00 179.01 178.22 1nn4 h ALA 140 N 1.53 1.58 0.17 3.43 0.00 -0.75 -0.44 119.26 124.78 1nn4 h ALA 140 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nn4 h ALA 140 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nn4 h ALA 140 CO -0.07 0.30 -0.08 0.82 0.00 0.00 0.00 179.25 180.22 1nn4 h ILE 141 N 0.21 0.95 0.00 0.00 1.08 -0.59 -1.82 117.51 117.35 1nn4 h ILE 141 Ca 0.05 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1nn4 h ILE 141 Cb 0.30 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1nn4 h ILE 141 CO 0.02 0.16 0.00 0.35 -0.69 0.00 0.00 178.15 177.99 1nn4 n THR 142 N -5.03 0.99 0.08 -0.27 -2.24 -0.88 -1.65 114.28 105.27 1nn4 n THR 142 Ca -0.09 0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.90 1nn4 n THR 142 Cb 0.23 -1.26 -0.14 0.00 -2.10 0.00 0.00 70.33 67.06 1nn4 n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nn4 h ALA 143 N 2.24 0.20 0.20 6.98 0.00 -0.70 -3.33 119.26 124.86 1nn4 h ALA 143 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 1nn4 h ALA 143 Cb 0.25 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nn4 h ALA 143 CO 0.00 1.08 -0.11 0.82 0.00 0.00 0.00 179.25 181.03 1nn4 h ILE 144 N 0.06 0.76 -0.34 0.00 1.08 -0.46 -1.42 117.51 117.18 1nn4 h ILE 144 Ca -0.14 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.43 1nn4 h ILE 144 Cb 1.95 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1nn4 h ILE 144 CO 0.18 0.00 0.67 1.05 -0.69 0.00 0.00 178.15 179.36 1nn4 h GLU 145 N -0.30 0.00 -0.00 2.37 -0.00 -1.64 -3.52 114.58 111.49 1nn4 h GLU 145 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1nn4 h GLU 145 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.99 1nn4 h GLU 145 CO 0.02 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.07