#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nn2 s PRO 8 N 0.00 4.41 -0.15 1.61 0.04 -1.26 -5.04 135.00 134.60 2nn2 s PRO 8 Ca 0.00 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 2nn2 s PRO 8 Cb 0.00 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 2nn2 s PRO 8 CO 0.00 0.01 -0.08 0.42 0.04 0.00 0.00 177.00 177.39 2nn2 s ILE 9 N -1.32 3.45 -0.06 0.56 1.01 -1.26 -5.11 121.20 118.47 2nn2 s ILE 9 Ca 0.50 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 2nn2 s ILE 9 Cb -0.30 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2nn2 s ILE 9 CO 0.38 0.50 0.63 -0.83 0.00 0.00 0.00 174.94 175.62 2nn2 s GLY 10 N 0.52 2.58 -0.35 6.18 0.00 -1.26 -5.05 107.32 109.94 2nn2 s GLY 10 Ca -0.06 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.74 2nn2 s GLY 10 CO 0.03 0.98 0.06 -0.42 0.00 0.00 0.00 173.10 173.75 2nn2 s ILE 11 N 0.47 2.24 0.34 0.90 1.01 -1.26 -5.12 121.20 119.79 2nn2 s ILE 11 Ca 0.33 -2.35 -0.26 0.00 0.00 0.00 0.00 60.65 58.37 2nn2 s ILE 11 Cb -0.17 -2.66 -0.09 0.00 0.01 0.00 0.00 42.46 39.55 2nn2 s ILE 11 CO 0.16 -0.61 1.01 -2.16 0.00 0.00 0.00 174.94 173.34 2nn2 s PRO 12 N 0.88 4.46 -0.43 2.79 0.04 -1.26 -5.06 135.00 136.43 2nn2 s PRO 12 Ca 0.11 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.67 2nn2 s PRO 12 Cb -0.19 -2.80 0.12 0.00 0.04 0.00 0.00 34.50 31.67 2nn2 s PRO 12 CO -0.08 0.13 0.16 -0.06 0.04 0.00 0.00 177.00 177.19 2nn2 s PHE 13 N -1.53 3.25 0.36 0.56 0.40 -1.26 -5.02 117.98 114.75 2nn2 s PHE 13 Ca 0.51 -2.97 0.06 0.00 -0.60 0.00 0.00 56.93 53.94 2nn2 s PHE 13 Cb -0.23 -2.73 0.75 0.00 0.51 0.00 0.00 43.02 41.32 2nn2 s PHE 13 CO 0.29 -0.84 1.95 -1.35 0.70 0.00 0.00 175.22 175.97 2nn2 h PRO 14 N 7.07 0.73 -0.27 0.24 0.11 -2.07 -1.61 132.00 136.19 2nn2 h PRO 14 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2nn2 h PRO 14 Cb 0.95 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2nn2 h PRO 14 CO 0.59 0.48 0.00 -0.25 -0.21 0.00 0.00 178.00 178.61 2nn2 n ASP 15 N -4.49 2.45 0.08 -2.05 8.00 -1.26 -4.65 116.55 114.64 2nn2 n ASP 15 Ca 0.11 -1.85 -0.13 0.00 0.71 0.00 0.00 54.79 53.63 2nn2 n ASP 15 Cb 0.25 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 2nn2 n ASP 15 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2nn2 h HIS 16 N 3.18 -0.14 -0.78 1.24 2.76 -1.73 -1.47 115.15 118.21 2nn2 h HIS 16 Ca 0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2nn2 h HIS 16 Cb 0.70 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 2nn2 h HIS 16 CO 0.18 0.07 0.36 0.66 -1.30 0.00 0.00 177.93 177.90 2nn2 h SER 17 N -0.34 1.04 -0.35 3.26 4.64 -1.82 0.71 113.55 120.69 2nn2 h SER 17 Ca -0.02 -0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2nn2 h SER 17 Cb 0.28 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 2nn2 h SER 17 CO 0.03 0.89 0.10 0.28 -0.87 0.00 0.00 176.83 177.26 2nn2 h SER 18 N 1.11 0.09 -0.78 4.97 0.02 -1.87 -1.26 113.55 115.84 2nn2 h SER 18 Ca 0.27 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2nn2 h SER 18 Cb 0.14 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2nn2 h SER 18 CO -0.03 0.09 0.39 0.44 -1.14 0.00 0.00 176.83 176.58 2nn2 h ASP 19 N 0.24 1.00 -0.50 3.07 3.32 -0.78 0.57 116.42 123.34 2nn2 h ASP 19 Ca 0.16 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2nn2 h ASP 19 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2nn2 h ASP 19 CO -0.18 0.84 0.30 0.40 -1.72 0.00 0.00 179.24 178.88 2nn2 h ILE 20 N 1.09 1.16 -0.54 0.35 1.08 -0.73 -1.31 117.51 118.61 2nn2 h ILE 20 Ca 0.27 -0.36 -0.07 0.00 -0.39 0.00 0.00 64.86 64.31 2nn2 h ILE 20 Cb 0.09 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2nn2 h ILE 20 CO -0.04 0.16 0.07 0.25 -0.69 0.00 0.00 178.15 177.90 2nn2 h LEU 21 N 0.67 0.87 -0.94 1.44 5.85 -1.00 -1.20 115.31 120.99 2nn2 h LEU 21 Ca 0.18 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.70 2nn2 h LEU 21 Cb 0.00 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 2nn2 h LEU 21 CO -0.03 0.92 0.60 -1.28 -0.34 0.00 0.00 178.44 178.31 2nn2 h SER 22 N 0.78 0.93 -0.52 1.25 0.87 -0.75 0.45 113.55 116.56 2nn2 h SER 22 Ca 0.16 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2nn2 h SER 22 Cb 0.44 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2nn2 h SER 22 CO 0.01 0.57 0.18 1.23 -0.53 0.00 0.00 176.83 178.29 2nn2 h GLY 23 N 1.05 0.85 1.35 5.77 0.00 -0.82 -1.54 103.07 109.74 2nn2 h GLY 23 Ca 0.42 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 2nn2 h GLY 23 CO -0.20 0.46 0.04 1.41 0.00 0.00 0.00 176.54 178.26 2nn2 h LEU 24 N 0.70 0.76 -0.29 3.11 3.38 -0.87 -2.02 115.31 120.08 2nn2 h LEU 24 Ca 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2nn2 h LEU 24 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2nn2 h LEU 24 CO -0.01 0.80 -0.01 -1.13 0.09 0.00 0.00 178.44 178.18 2nn2 h ASN 25 N 0.75 0.51 -0.91 -0.43 -1.24 -0.81 -2.35 115.58 111.10 2nn2 h ASN 25 Ca 0.15 -0.32 0.16 0.00 0.71 0.00 0.00 56.30 57.00 2nn2 h ASN 25 Cb 0.40 -0.14 -0.07 0.00 0.73 0.00 0.00 38.32 39.23 2nn2 h ASN 25 CO 0.01 0.71 0.59 -0.08 -1.29 0.00 0.00 177.43 177.37 2nn2 h GLU 26 N 0.30 0.64 -0.31 6.67 4.81 -1.21 -1.67 114.58 123.82 2nn2 h GLU 26 Ca 0.08 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2nn2 h GLU 26 Cb 0.45 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2nn2 h GLU 26 CO 0.02 0.42 -0.01 1.96 -0.73 0.00 0.00 179.01 180.67 2nn2 h GLN 27 N 0.66 0.56 -0.29 1.92 4.20 -1.04 -2.14 115.11 118.98 2nn2 h GLN 27 Ca 0.47 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.86 2nn2 h GLN 27 Cb 0.82 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2nn2 h GLN 27 CO -0.23 0.70 -0.37 0.07 -0.67 0.00 0.00 178.83 178.34 2nn2 h ARG 28 N 0.35 0.67 -0.21 1.46 0.11 -1.15 0.98 114.38 116.59 2nn2 h ARG 28 Ca 0.09 -0.33 -0.03 0.00 0.10 0.00 0.00 59.98 59.81 2nn2 h ARG 28 Cb 0.46 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 2nn2 h ARG 28 CO 0.02 0.93 -0.00 1.15 0.10 0.00 0.00 179.97 182.17 2nn2 h THR 29 N 0.56 1.14 -0.02 0.08 2.02 -1.31 -1.55 112.91 113.82 2nn2 h THR 29 Ca 0.05 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2nn2 h THR 29 Cb 0.89 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2nn2 h THR 29 CO 0.08 0.18 -0.29 0.00 0.37 0.00 0.00 175.52 175.86 2nn2 n GLN 30 N -4.36 1.32 -2.64 6.66 6.02 -0.81 -4.96 117.38 118.61 2nn2 n GLN 30 Ca 0.00 -0.98 -0.19 0.00 -0.01 0.00 0.00 57.00 55.82 2nn2 n GLN 30 Cb 0.19 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2nn2 n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nn2 n GLY 31 N 1.36 -0.50 3.77 1.08 0.00 -0.57 -5.01 105.19 105.32 2nn2 n GLY 31 Ca 0.12 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2nn2 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nn2 s LEU 32 N -6.10 4.33 -1.49 0.99 2.96 0.24 -4.50 118.68 115.11 2nn2 s LEU 32 Ca 0.10 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2nn2 s LEU 32 Cb -0.05 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.17 2nn2 s LEU 32 CO 0.13 0.18 0.00 0.18 -1.32 0.00 0.00 176.35 175.52 2nn2 n LEU 33 N 2.91 -0.84 -4.80 -0.68 4.77 -1.26 -4.43 117.00 112.67 2nn2 n LEU 33 Ca -0.12 0.35 -0.36 0.00 -0.03 0.00 0.00 56.01 55.84 2nn2 n LEU 33 Cb 0.52 -2.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.10 2nn2 n LEU 33 CO 0.39 -0.92 0.50 0.00 -1.33 0.00 0.00 177.39 176.04 2nn2 n ASP 35 N 0.59 1.67 -3.69 0.00 5.68 -0.63 -4.94 116.55 115.24 2nn2 n ASP 35 Ca -0.00 -1.39 -0.13 0.00 -0.50 0.00 0.00 54.79 52.77 2nn2 n ASP 35 Cb 0.51 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 2nn2 n ASP 35 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nn2 s VAL 36 N -0.58 0.06 -0.09 2.12 0.11 -0.97 -4.79 120.40 116.26 2nn2 s VAL 36 Ca 0.08 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 2nn2 s VAL 36 Cb 0.05 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2nn2 s VAL 36 CO 0.07 -0.28 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.77 2nn2 s VAL 37 N -2.37 1.13 -0.12 2.04 1.01 0.05 -0.44 120.40 121.70 2nn2 s VAL 37 Ca -0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 2nn2 s VAL 37 Cb -0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2nn2 s VAL 37 CO -0.02 0.37 0.18 -0.63 0.00 0.00 0.00 175.10 175.00 2nn2 s ILE 38 N 1.10 5.42 -0.15 2.22 -1.09 -0.57 -0.76 121.20 127.37 2nn2 s ILE 38 Ca -0.06 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 2nn2 s ILE 38 Cb -0.14 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2nn2 s ILE 38 CO -0.02 0.58 -0.19 -0.22 -1.23 0.00 0.00 174.94 173.86 2nn2 s LEU 39 N -0.74 2.25 -0.03 2.97 2.96 0.65 -0.27 118.68 126.46 2nn2 s LEU 39 Ca 0.15 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2nn2 s LEU 39 Cb -0.12 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.10 2nn2 s LEU 39 CO 0.04 0.08 0.03 -0.69 -1.32 0.00 0.00 176.35 174.49 2nn2 s VAL 40 N 0.84 -0.00 -1.62 1.68 1.01 -0.65 -0.91 120.40 120.75 2nn2 s VAL 40 Ca -0.06 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 2nn2 s VAL 40 Cb -0.15 -0.17 0.09 0.00 0.00 0.00 0.00 36.38 36.14 2nn2 s VAL 40 CO -0.02 0.14 0.43 -0.62 0.00 0.00 0.00 175.10 175.04 2nn2 n GLU 41 N 4.65 -2.05 -0.89 2.72 1.02 -1.26 -0.82 120.64 124.00 2nn2 n GLU 41 Ca -0.17 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2nn2 n GLU 41 Cb 0.50 -4.44 0.00 0.00 -0.02 0.00 0.00 31.44 27.48 2nn2 n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nn2 n GLY 42 N -1.82 0.56 3.72 0.62 0.00 -1.26 -5.00 105.19 102.00 2nn2 n GLY 42 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2nn2 n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nn2 s ARG 43 N -0.43 4.05 -0.07 1.61 3.52 -0.01 -5.10 118.95 122.53 2nn2 s ARG 43 Ca 0.00 -0.25 -0.15 0.00 -0.13 0.00 0.00 55.73 55.21 2nn2 s ARG 43 Cb 0.00 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 2nn2 s ARG 43 CO 0.00 0.34 0.37 -1.21 -0.81 0.00 0.00 175.30 174.00 2nn2 s GLU 44 N 0.22 4.03 -0.45 5.12 2.02 -1.26 -1.63 118.70 126.76 2nn2 s GLU 44 Ca 0.07 0.31 0.03 0.00 0.02 0.00 0.00 54.97 55.40 2nn2 s GLU 44 Cb -0.11 -3.30 0.12 0.00 0.10 0.00 0.00 34.13 30.93 2nn2 s GLU 44 CO -0.01 0.50 0.19 -0.06 0.02 0.00 0.00 175.26 175.90 2nn2 s PHE 45 N -0.42 3.04 0.07 1.61 0.40 0.63 -4.96 117.98 118.36 2nn2 s PHE 45 Ca 0.22 -2.93 -0.31 0.00 -0.60 0.00 0.00 56.93 53.32 2nn2 s PHE 45 Cb -0.15 -2.63 -0.07 0.00 0.51 0.00 0.00 43.02 40.68 2nn2 s PHE 45 CO 0.10 -0.81 1.34 -2.14 0.70 0.00 0.00 175.22 174.41 2nn2 s PRO 46 N 0.23 4.34 0.00 0.24 0.02 -1.26 -1.51 135.00 137.06 2nn2 s PRO 46 Ca 0.15 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2nn2 s PRO 46 Cb -0.23 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.93 2nn2 s PRO 46 CO -0.03 -0.42 0.00 0.25 -0.33 0.00 0.00 177.00 176.46 2nn2 n THR 47 N 4.12 0.00 -4.80 0.99 -2.24 0.42 -4.75 114.28 108.02 2nn2 n THR 47 Ca 0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 2nn2 n THR 47 Cb 0.44 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.51 2nn2 n THR 47 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2nn2 s HIS 48 N -3.05 2.70 0.46 4.78 3.76 -1.26 -1.60 115.29 121.07 2nn2 s HIS 48 Ca 0.00 -1.05 0.12 0.00 -0.15 0.00 0.00 55.06 53.98 2nn2 s HIS 48 Cb 0.00 -1.81 1.06 0.00 1.11 0.00 0.00 32.58 32.94 2nn2 s HIS 48 CO 0.00 -0.45 2.07 0.07 -0.85 0.00 0.00 174.74 175.58 2nn2 h ARG 49 N 7.05 0.30 -0.16 1.40 0.11 -1.92 -2.37 114.38 118.79 2nn2 h ARG 49 Ca -0.28 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 2nn2 h ARG 49 Cb 1.21 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 2nn2 h ARG 49 CO 0.54 0.20 0.05 0.66 0.10 0.00 0.00 179.97 181.51 2nn2 h SER 50 N 0.31 0.23 -0.56 0.08 4.64 -1.99 -0.78 113.55 115.49 2nn2 h SER 50 Ca 0.13 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 2nn2 h SER 50 Cb 0.13 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2nn2 h SER 50 CO -0.03 0.37 0.13 0.58 -0.87 0.00 0.00 176.83 177.01 2nn2 h VAL 51 N 0.08 1.25 -0.59 0.95 2.07 -1.94 -2.15 116.25 115.92 2nn2 h VAL 51 Ca 0.05 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2nn2 h VAL 51 Cb 0.22 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2nn2 h VAL 51 CO -0.00 0.33 0.37 -0.07 0.02 0.00 0.00 177.57 178.22 2nn2 h LEU 52 N 0.80 0.62 -1.43 2.57 3.38 -1.27 -2.63 115.31 117.34 2nn2 h LEU 52 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2nn2 h LEU 52 Cb 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2nn2 h LEU 52 CO 0.00 0.44 -0.23 0.00 0.09 0.00 0.00 178.44 178.74 2nn2 h ALA 53 N 1.24 1.18 0.00 1.53 0.00 -1.01 -0.83 119.26 121.38 2nn2 h ALA 53 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nn2 h ALA 53 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2nn2 h ALA 53 CO -0.08 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2nn2 n ALA 54 N -2.30 2.18 -0.02 0.00 0.00 -0.82 -4.02 120.51 115.54 2nn2 n ALA 54 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 2nn2 n ALA 54 Cb 0.36 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 2nn2 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nn2 s SER 56 N -3.67 1.57 0.41 0.00 0.15 -0.36 -4.40 113.70 107.40 2nn2 s SER 56 Ca -0.03 -0.10 0.18 0.00 0.70 0.00 0.00 55.95 56.71 2nn2 s SER 56 Cb 0.01 -0.46 0.91 0.00 -1.71 0.00 0.00 66.02 64.77 2nn2 s SER 56 CO 0.14 -0.18 1.87 -0.61 1.20 0.00 0.00 173.24 175.65 2nn2 h GLN 57 N 8.25 0.00 0.19 5.44 5.75 -1.45 -1.61 115.11 131.67 2nn2 h GLN 57 Ca -0.21 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 2nn2 h GLN 57 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 2nn2 h GLN 57 CO 0.28 0.30 -0.09 -0.92 -2.65 0.00 0.00 178.83 175.75 2nn2 h TYR 58 N 0.00 -0.23 -0.09 3.99 3.20 -1.76 -2.03 116.97 120.05 2nn2 h TYR 58 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2nn2 h TYR 58 Cb 0.63 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2nn2 h TYR 58 CO 0.00 -0.05 -0.36 0.74 -1.64 0.00 0.00 178.16 176.85 2nn2 h PHE 59 N -0.37 0.22 -0.44 -3.82 0.04 -1.76 -0.95 116.94 109.85 2nn2 h PHE 59 Ca -0.03 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 2nn2 h PHE 59 Cb 0.29 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2nn2 h PHE 59 CO -0.03 0.53 0.14 -0.22 -0.60 0.00 0.00 178.31 178.13 2nn2 h LYS 60 N 0.16 0.68 0.00 1.51 3.64 -1.26 -0.96 116.57 120.34 2nn2 h LYS 60 Ca 0.02 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2nn2 h LYS 60 Cb 0.72 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2nn2 h LYS 60 CO 0.05 0.66 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.67 2nn2 h LYS 61 N 0.57 -0.00 -0.82 1.90 3.64 -1.30 -2.80 116.57 117.77 2nn2 h LYS 61 Ca 0.14 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 2nn2 h LYS 61 Cb 0.26 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 2nn2 h LYS 61 CO -0.01 0.11 0.46 1.25 -2.27 0.00 0.00 179.45 179.00 2nn2 h LEU 62 N -0.12 0.65 -0.04 5.20 5.85 -1.07 -2.79 115.31 123.00 2nn2 h LEU 62 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2nn2 h LEU 62 Cb 0.12 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2nn2 h LEU 62 CO 0.00 0.37 -0.40 0.49 -0.34 0.00 0.00 178.44 178.56 2nn2 n PHE 63 N -4.76 0.00 -0.11 1.25 3.72 -0.37 -3.62 117.46 113.56 2nn2 n PHE 63 Ca 0.13 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.58 2nn2 n PHE 63 Cb 0.28 -0.28 0.12 0.00 -0.94 0.00 0.00 39.48 38.67 2nn2 n PHE 63 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2nn2 n THR 64 N -1.43 0.93 -1.52 4.37 -2.24 -1.06 -5.09 114.28 108.23 2nn2 n THR 64 Ca 0.06 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2nn2 n THR 64 Cb 0.33 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2nn2 n THR 64 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2nn2 n SER 65 N 0.38 -8.20 0.00 3.42 7.64 -1.06 -5.06 113.62 110.74 2nn2 n SER 65 Ca 0.10 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2nn2 n SER 65 Cb 0.39 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 2nn2 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nn2 n GLN 72 N -0.44 0.00 0.00 1.43 6.02 -1.26 -4.73 117.38 118.40 2nn2 n GLN 72 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2nn2 n GLN 72 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 2nn2 n GLN 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2nn2 h ASN 73 N 0.00 0.14 -3.57 1.08 2.35 -1.95 -3.49 115.58 110.15 2nn2 h ASN 73 Ca 0.00 -0.27 -0.67 0.00 -0.55 0.00 0.00 56.30 54.82 2nn2 h ASN 73 Cb 0.00 -0.05 -0.25 0.00 0.05 0.00 0.00 38.32 38.08 2nn2 h ASN 73 CO 0.00 1.23 -0.75 -0.69 -1.65 0.00 0.00 177.43 175.57 2nn2 s VAL 74 N -2.60 3.18 -0.09 2.81 1.01 -1.26 -0.77 120.40 122.67 2nn2 s VAL 74 Ca -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2nn2 s VAL 74 Cb 0.08 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2nn2 s VAL 74 CO 0.82 0.55 -0.10 -0.31 0.00 0.00 0.00 175.10 176.06 2nn2 s TYR 75 N -0.09 1.51 -0.21 5.22 1.51 0.06 -4.97 117.35 120.39 2nn2 s TYR 75 Ca -0.01 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.21 2nn2 s TYR 75 Cb -0.14 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2nn2 s TYR 75 CO 0.03 -0.42 0.37 -1.21 -1.11 0.00 0.00 175.55 173.22 2nn2 s GLU 76 N 1.24 4.16 -0.15 -0.62 2.02 -1.26 -0.25 118.70 123.84 2nn2 s GLU 76 Ca -0.03 0.15 -0.02 0.00 0.02 0.00 0.00 54.97 55.09 2nn2 s GLU 76 Cb -0.14 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2nn2 s GLU 76 CO -0.03 -0.03 -0.09 0.42 0.02 0.00 0.00 175.26 175.54 2nn2 s ILE 77 N 1.30 3.33 -0.30 -1.63 -1.09 -0.08 -4.91 121.20 117.81 2nn2 s ILE 77 Ca 0.18 -0.55 0.07 0.00 -2.23 0.00 0.00 60.65 58.11 2nn2 s ILE 77 Cb -0.15 -2.43 -0.08 0.00 -1.58 0.00 0.00 42.46 38.22 2nn2 s ILE 77 CO 0.08 0.50 0.28 -0.90 -1.23 0.00 0.00 174.94 173.67 2nn2 n ASP 78 N 3.70 0.62 -1.11 3.58 5.75 -1.26 -4.45 116.55 123.38 2nn2 n ASP 78 Ca -0.18 -0.60 0.10 0.00 -0.01 0.00 0.00 54.79 54.11 2nn2 n ASP 78 Cb 0.52 1.03 0.24 0.00 -1.03 0.00 0.00 41.12 41.89 2nn2 n ASP 78 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2nn2 n PHE 79 N -1.22 0.67 -4.16 2.11 1.16 -1.26 -4.87 117.46 109.90 2nn2 n PHE 79 Ca 0.01 -0.39 -0.12 0.00 -1.87 0.00 0.00 57.45 55.08 2nn2 n PHE 79 Cb 0.12 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 37.87 2nn2 n PHE 79 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2nn2 s VAL 80 N -1.16 0.77 0.66 1.97 -7.23 -1.26 -4.88 120.40 109.28 2nn2 s VAL 80 Ca 0.39 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 2nn2 s VAL 80 Cb 0.21 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.75 2nn2 s VAL 80 CO 0.29 -0.68 1.04 -0.94 -0.31 0.00 0.00 175.10 174.50 2nn2 s SER 81 N -2.60 5.64 0.17 4.85 1.04 -1.26 -4.88 113.70 116.66 2nn2 s SER 81 Ca 0.06 1.11 -0.10 0.00 0.48 0.00 0.00 55.95 57.50 2nn2 s SER 81 Cb -0.00 -2.00 0.05 0.00 0.10 0.00 0.00 66.02 64.17 2nn2 s SER 81 CO -0.02 -1.19 1.61 0.00 0.98 0.00 0.00 173.24 174.63 2nn2 h ALA 82 N -0.49 0.78 -0.39 5.32 0.00 -1.96 -1.31 119.26 121.21 2nn2 h ALA 82 Ca -0.45 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.20 2nn2 h ALA 82 Cb 1.24 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2nn2 h ALA 82 CO 0.63 0.66 0.01 1.49 0.00 0.00 0.00 179.25 182.03 2nn2 h GLU 83 N 0.94 0.11 -0.34 0.00 4.81 -1.96 0.28 114.58 118.41 2nn2 h GLU 83 Ca 0.16 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2nn2 h GLU 83 Cb 0.62 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2nn2 h GLU 83 CO 0.04 0.07 -0.27 0.00 -0.73 0.00 0.00 179.01 178.13 2nn2 h ALA 84 N 1.34 0.49 -0.48 2.92 0.00 -1.89 -2.28 119.26 119.36 2nn2 h ALA 84 Ca 0.19 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2nn2 h ALA 84 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2nn2 h ALA 84 CO -0.31 0.50 0.09 1.25 0.00 0.00 0.00 179.25 180.78 2nn2 h LEU 85 N 0.56 0.75 -0.28 0.00 5.85 -1.09 -1.05 115.31 120.05 2nn2 h LEU 85 Ca 0.06 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.60 2nn2 h LEU 85 Cb 0.83 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 2nn2 h LEU 85 CO 0.07 0.81 -0.21 0.74 -0.34 0.00 0.00 178.44 179.51 2nn2 h THR 86 N 0.66 0.44 -0.47 1.05 2.02 -0.94 0.23 112.91 115.90 2nn2 h THR 86 Ca 0.15 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.40 2nn2 h THR 86 Cb 0.37 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 2nn2 h THR 86 CO 0.01 0.00 0.10 0.00 0.37 0.00 0.00 175.52 176.00 2nn2 h ALA 87 N 0.95 0.52 -0.26 6.16 0.00 -1.24 -1.91 119.26 123.48 2nn2 h ALA 87 Ca 0.15 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2nn2 h ALA 87 Cb 0.42 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2nn2 h ALA 87 CO -0.40 -0.30 -0.35 -0.07 0.00 0.00 0.00 179.25 178.13 2nn2 h LEU 88 N 0.24 0.60 -0.14 0.00 3.38 -0.60 -1.63 115.31 117.17 2nn2 h LEU 88 Ca 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2nn2 h LEU 88 Cb 0.29 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2nn2 h LEU 88 CO -0.29 0.91 -0.05 0.24 0.09 0.00 0.00 178.44 179.34 2nn2 h MET 89 N 0.49 0.28 -0.68 1.13 2.86 -0.53 -1.74 114.93 116.73 2nn2 h MET 89 Ca 0.05 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2nn2 h MET 89 Cb 0.84 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.43 2nn2 h MET 89 CO 0.07 0.58 0.34 -0.44 1.06 0.00 0.00 176.91 178.53 2nn2 h ASP 90 N -0.04 0.46 -0.22 1.22 3.32 -1.36 -0.62 116.42 119.17 2nn2 h ASP 90 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2nn2 h ASP 90 Cb 0.49 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2nn2 h ASP 90 CO 0.02 0.28 0.14 0.15 -1.72 0.00 0.00 179.24 178.11 2nn2 h PHE 91 N 0.61 0.29 -0.78 4.55 3.57 -1.24 0.15 116.94 124.08 2nn2 h PHE 91 Ca 0.32 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.85 2nn2 h PHE 91 Cb 0.30 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 2nn2 h PHE 91 CO -0.10 0.20 0.51 0.00 -2.23 0.00 0.00 178.31 176.69 2nn2 h ALA 92 N 1.06 1.50 0.00 2.41 0.00 -0.85 -0.49 119.26 122.89 2nn2 h ALA 92 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nn2 h ALA 92 Cb -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2nn2 h ALA 92 CO -0.02 0.44 -0.93 0.66 0.00 0.00 0.00 179.25 179.41 2nn2 n TYR 93 N -4.44 0.15 -0.04 0.00 4.02 -0.28 -4.56 117.16 112.02 2nn2 n TYR 93 Ca 0.09 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2nn2 n TYR 93 Cb 0.08 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 2nn2 n TYR 93 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2nn2 n THR 94 N -1.77 0.00 -1.00 -0.72 -2.24 0.52 -4.60 114.28 104.46 2nn2 n THR 94 Ca 0.03 -0.34 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2nn2 n THR 94 Cb 0.40 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2nn2 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nn2 n ALA 95 N -0.60 -0.00 -3.59 6.98 0.00 -0.21 -5.01 120.51 118.09 2nn2 n ALA 95 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2nn2 n ALA 95 Cb 0.01 -0.68 -0.17 0.00 0.00 0.00 0.00 19.45 18.62 2nn2 n ALA 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2nn2 s THR 96 N -1.56 1.57 -0.35 0.00 2.01 -1.26 -5.04 115.64 111.00 2nn2 s THR 96 Ca 0.00 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 2nn2 s THR 96 Cb 0.00 -1.42 -0.00 0.00 0.01 0.00 0.00 72.50 71.09 2nn2 s THR 96 CO 0.00 0.45 0.51 -0.22 -0.69 0.00 0.00 174.62 174.67 2nn2 s LEU 97 N 0.86 4.37 -0.22 4.42 2.96 -1.26 -3.55 118.68 126.27 2nn2 s LEU 97 Ca -0.09 -0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.62 2nn2 s LEU 97 Cb -0.15 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2nn2 s LEU 97 CO 0.00 -0.49 0.30 -0.89 -1.32 0.00 0.00 176.35 173.96 2nn2 s THR 98 N 2.38 5.26 0.03 3.68 2.01 -1.26 -5.05 115.64 122.69 2nn2 s THR 98 Ca 0.18 0.49 -0.19 0.00 0.31 0.00 0.00 61.69 62.48 2nn2 s THR 98 Cb -0.15 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.76 2nn2 s THR 98 CO 0.13 0.29 0.42 0.54 -0.69 0.00 0.00 174.62 175.32 2nn2 s VAL 99 N 1.22 0.05 0.22 3.82 0.11 -1.26 -4.86 120.40 119.70 2nn2 s VAL 99 Ca 0.14 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 2nn2 s VAL 99 Cb -0.14 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 2nn2 s VAL 99 CO 0.06 -0.23 -0.09 -0.94 -3.33 0.00 0.00 175.10 170.57 2nn2 s SER 100 N -1.84 2.39 0.31 3.54 1.04 -1.26 -5.03 113.70 112.86 2nn2 s SER 100 Ca -0.07 -1.10 0.25 0.00 0.48 0.00 0.00 55.95 55.52 2nn2 s SER 100 Cb -0.01 -0.10 1.09 0.00 0.10 0.00 0.00 66.02 67.09 2nn2 s SER 100 CO -0.00 -0.29 1.76 0.00 0.98 0.00 0.00 173.24 175.68 2nn2 h THR 101 N 2.50 0.00 -0.31 2.02 1.03 -2.02 -1.96 112.91 114.17 2nn2 h THR 101 Ca -0.38 -0.24 -0.07 0.00 -0.01 0.00 0.00 66.41 65.71 2nn2 h THR 101 Cb 1.22 0.99 -0.01 0.00 -1.07 0.00 0.00 68.15 69.28 2nn2 h THR 101 CO 0.64 0.00 -0.07 0.00 -0.01 0.00 0.00 175.52 176.08 2nn2 h ALA 102 N 2.20 0.42 -0.32 0.00 0.00 -2.06 -3.38 119.26 116.12 2nn2 h ALA 102 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2nn2 h ALA 102 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nn2 h ALA 102 CO 0.00 0.25 0.00 0.27 0.00 0.00 0.00 179.25 179.77 2nn2 n ASN 103 N -4.47 2.95 0.14 0.00 0.23 -0.93 -4.61 115.26 108.57 2nn2 n ASN 103 Ca -0.03 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 2nn2 n ASN 103 Cb 0.32 -0.21 0.29 0.00 -2.08 0.00 0.00 39.78 38.11 2nn2 n ASN 103 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2nn2 h VAL 104 N 2.97 1.29 -0.25 3.53 3.04 -1.55 0.10 116.25 125.39 2nn2 h VAL 104 Ca 0.00 -1.42 -0.16 0.00 -1.01 0.00 0.00 66.70 64.12 2nn2 h VAL 104 Cb 0.77 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 2nn2 h VAL 104 CO 0.00 0.41 -0.48 1.23 -1.01 0.00 0.00 177.57 177.72 2nn2 h GLY 105 N 1.20 0.72 0.85 3.17 0.00 -1.85 -0.84 103.07 106.33 2nn2 h GLY 105 Ca 0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.48 2nn2 h GLY 105 CO 0.06 0.71 -0.13 -1.80 0.00 0.00 0.00 176.54 175.38 2nn2 h ASP 106 N 0.52 0.53 -0.64 0.19 3.58 -1.65 -2.09 116.42 116.86 2nn2 h ASP 106 Ca 0.03 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.03 2nn2 h ASP 106 Cb 1.03 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 2nn2 h ASP 106 CO 0.10 0.83 0.28 0.40 -2.88 0.00 0.00 179.24 177.97 2nn2 h ILE 107 N 0.23 1.23 -0.49 2.25 2.04 -0.95 -2.38 117.51 119.44 2nn2 h ILE 107 Ca 0.05 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2nn2 h ILE 107 Cb 0.63 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2nn2 h ILE 107 CO 0.04 0.27 0.12 0.25 0.00 0.00 0.00 178.15 178.83 2nn2 h LEU 108 N 0.89 0.74 -0.10 1.44 5.85 -1.16 -0.47 115.31 122.51 2nn2 h LEU 108 Ca 0.22 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2nn2 h LEU 108 Cb 0.16 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2nn2 h LEU 108 CO -0.02 0.78 -0.12 0.28 -0.34 0.00 0.00 178.44 179.01 2nn2 h SER 109 N 0.67 -0.38 -0.37 1.25 0.02 -1.14 -1.08 113.55 112.51 2nn2 h SER 109 Ca 0.15 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2nn2 h SER 109 Cb 0.32 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2nn2 h SER 109 CO 0.00 -0.17 0.20 0.00 -1.14 0.00 0.00 176.83 175.72 2nn2 h ALA 110 N 0.89 0.48 -0.04 3.77 0.00 -1.35 -1.77 119.26 121.24 2nn2 h ALA 110 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2nn2 h ALA 110 Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2nn2 h ALA 110 CO -0.19 0.02 -0.06 0.00 0.00 0.00 0.00 179.25 179.02 2nn2 h ALA 111 N 1.06 1.84 0.02 0.00 0.00 -0.86 0.28 119.26 121.60 2nn2 h ALA 111 Ca 0.13 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 2nn2 h ALA 111 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2nn2 h ALA 111 CO -0.02 0.12 -0.99 0.00 0.00 0.00 0.00 179.25 178.36 2nn2 h ARG 112 N 0.05 0.39 0.04 0.00 3.08 -0.90 0.76 114.38 117.81 2nn2 h ARG 112 Ca 0.01 -0.45 -0.24 0.00 0.07 0.00 0.00 59.98 59.37 2nn2 h ARG 112 Cb 0.14 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2nn2 h ARG 112 CO 0.01 1.13 -1.04 -0.07 -1.07 0.00 0.00 179.97 178.93 2nn2 h LEU 113 N 0.20 0.52 0.00 3.04 3.38 -0.78 -3.22 115.31 118.45 2nn2 h LEU 113 Ca -0.09 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2nn2 h LEU 113 Cb 1.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2nn2 h LEU 113 CO 0.17 1.28 -0.21 0.18 0.09 0.00 0.00 178.44 179.94 2nn2 n LEU 114 N -3.69 0.46 -2.98 1.67 4.77 0.94 -4.79 117.00 113.37 2nn2 n LEU 114 Ca -0.08 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2nn2 n LEU 114 Cb 0.89 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 41.71 2nn2 n LEU 114 CO 0.52 -0.04 0.06 -0.62 -1.33 0.00 0.00 177.39 175.98 2nn2 n GLU 115 N -1.84 -3.53 -3.52 3.23 1.02 -0.26 -2.67 120.64 113.07 2nn2 n GLU 115 Ca 0.06 0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 57.49 2nn2 n GLU 115 Cb 0.38 -5.19 -0.06 0.00 -0.02 0.00 0.00 31.44 26.56 2nn2 n GLU 115 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2nn2 s ILE 116 N -3.31 4.72 0.31 -3.67 1.01 0.10 -2.23 121.20 118.12 2nn2 s ILE 116 Ca 0.21 -2.79 0.01 0.00 0.00 0.00 0.00 60.65 58.08 2nn2 s ILE 116 Cb -0.03 -3.97 0.28 0.00 0.01 0.00 0.00 42.46 38.75 2nn2 s ILE 116 CO 0.61 -0.97 1.93 -0.65 0.00 0.00 0.00 174.94 175.86 2nn2 h PRO 117 N 7.32 0.99 -0.23 2.79 0.11 -1.83 -1.18 132.00 139.96 2nn2 h PRO 117 Ca 0.06 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.15 2nn2 h PRO 117 Cb 0.99 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 2nn2 h PRO 117 CO 0.74 0.65 -0.01 0.00 -0.21 0.00 0.00 178.00 179.17 2nn2 h ALA 118 N 1.52 0.19 0.19 -0.75 0.00 -1.94 -0.50 119.26 117.97 2nn2 h ALA 118 Ca 0.36 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2nn2 h ALA 118 Cb 0.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2nn2 h ALA 118 CO -0.12 -0.44 -0.09 0.28 0.00 0.00 0.00 179.25 178.88 2nn2 h VAL 119 N 0.05 0.90 -0.86 0.00 2.07 -1.90 -2.74 116.25 113.78 2nn2 h VAL 119 Ca 0.11 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.82 2nn2 h VAL 119 Cb 0.15 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2nn2 h VAL 119 CO -0.20 0.18 0.56 0.77 0.02 0.00 0.00 177.57 178.91 2nn2 h SER 120 N -0.71 0.87 -0.41 0.57 4.64 -1.12 -1.73 113.55 115.66 2nn2 h SER 120 Ca -0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 2nn2 h SER 120 Cb 0.49 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2nn2 h SER 120 CO 0.04 0.57 0.04 0.45 -0.87 0.00 0.00 176.83 177.07 2nn2 h HIS 121 N 1.00 0.75 -0.37 4.77 3.86 -1.15 -2.28 115.15 121.74 2nn2 h HIS 121 Ca 0.36 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.37 2nn2 h HIS 121 Cb 0.16 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2nn2 h HIS 121 CO -0.00 0.74 -0.11 -0.24 0.86 0.00 0.00 177.93 179.18 2nn2 h VAL 122 N 0.54 1.28 -0.42 2.45 3.04 -1.12 -1.85 116.25 120.17 2nn2 h VAL 122 Ca 0.12 -1.20 -0.02 0.00 -1.01 0.00 0.00 66.70 64.59 2nn2 h VAL 122 Cb 0.42 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 2nn2 h VAL 122 CO 0.01 0.40 0.17 0.00 -1.01 0.00 0.00 177.57 177.14 2nn2 h ALA 124 N 1.01 0.53 -0.56 0.00 0.00 -1.38 -2.84 119.26 116.02 2nn2 h ALA 124 Ca 0.14 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2nn2 h ALA 124 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2nn2 h ALA 124 CO -0.01 0.25 0.37 -0.44 0.00 0.00 0.00 179.25 179.42 2nn2 h ASP 125 N 0.51 0.44 -0.01 0.00 3.32 -1.25 0.48 116.42 119.91 2nn2 h ASP 125 Ca 0.12 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2nn2 h ASP 125 Cb 0.39 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2nn2 h ASP 125 CO 0.01 0.28 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.67 2nn2 h LEU 126 N 0.50 0.20 0.00 1.55 3.38 -1.09 -3.28 115.31 116.57 2nn2 h LEU 126 Ca 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2nn2 h LEU 126 Cb 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2nn2 h LEU 126 CO -0.07 0.31 -1.37 0.18 0.09 0.00 0.00 178.44 177.59 2nn2 n LEU 127 N -4.33 0.48 -4.75 1.67 4.77 -0.64 -4.93 117.00 109.27 2nn2 n LEU 127 Ca -0.01 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.29 2nn2 n LEU 127 Cb 0.22 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2nn2 n LEU 127 CO 0.37 0.12 1.26 -0.67 -1.33 0.00 0.00 177.39 177.14 2nn2 n ASP 128 N -1.80 3.93 0.00 -1.43 2.03 0.16 -5.08 116.55 114.36 2nn2 n ASP 128 Ca 0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.46 2nn2 n ASP 128 Cb 0.40 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 2nn2 n ASP 128 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17