#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee n ASP 2 N 0.00 -2.63 0.00 7.83 8.00 -1.26 -5.06 116.55 123.43 1nee n ASP 2 Ca 0.00 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1nee n ASP 2 Cb 0.00 1.69 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 1nee n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nee n ASP 3 N 1.50 0.00 -2.70 -2.24 -0.08 -1.26 -4.81 116.55 106.97 1nee n ASP 3 Ca 0.08 0.72 -0.07 0.00 -1.51 0.00 0.00 54.79 54.00 1nee n ASP 3 Cb 0.65 -0.48 0.11 0.00 2.34 0.00 0.00 41.12 43.73 1nee n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nee n TYR 4 N -1.94 -2.02 -0.05 -0.67 4.19 -1.26 -4.98 117.16 110.42 1nee n TYR 4 Ca 0.00 -2.04 -0.13 0.00 3.31 0.00 0.00 57.90 59.05 1nee n TYR 4 Cb 0.00 1.36 -0.07 0.00 0.49 0.00 0.00 39.34 41.12 1nee n TYR 4 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1nee h GLU 5 N 2.14 0.33 -5.57 2.98 5.08 -1.97 -3.46 114.58 114.10 1nee h GLU 5 Ca -0.25 -0.15 -0.63 0.00 -1.00 0.00 0.00 59.36 57.32 1nee h GLU 5 Cb 1.28 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.43 1nee h GLU 5 CO 0.01 0.67 -0.45 0.21 -1.00 0.00 0.00 179.01 178.45 1nee s LYS 6 N -4.47 2.20 -0.12 2.33 2.20 -1.26 -5.07 119.74 115.55 1nee s LYS 6 Ca -0.14 -2.18 0.12 0.00 -0.36 0.00 0.00 55.97 53.42 1nee s LYS 6 Cb 0.05 -1.79 0.27 0.00 -1.51 0.00 0.00 37.83 34.86 1nee s LYS 6 CO 0.74 -0.39 1.19 -0.11 -0.36 0.00 0.00 175.35 176.43 1nee n LEU 7 N -1.40 -0.30 -4.87 5.43 0.00 -1.26 -5.12 117.00 109.47 1nee n LEU 7 Ca -0.10 -2.45 -0.30 0.00 0.00 0.00 0.00 56.01 53.16 1nee n LEU 7 Cb 0.66 0.09 -0.03 0.00 0.00 0.00 0.00 43.42 44.14 1nee n LEU 7 CO 0.40 1.26 0.43 -0.22 0.00 0.00 0.00 177.39 179.27 1nee s LEU 8 N -1.58 3.84 0.37 -1.96 2.96 -1.26 -5.09 118.68 115.97 1nee s LEU 8 Ca 0.14 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1nee s LEU 8 Cb 0.25 -4.00 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 1nee s LEU 8 CO -0.08 -0.39 0.57 -1.61 -1.32 0.00 0.00 176.35 173.52 1nee s GLU 9 N -3.81 3.34 -0.62 1.98 2.02 -1.26 -5.05 118.70 115.30 1nee s GLU 9 Ca 0.51 -0.45 -0.19 0.00 0.02 0.00 0.00 54.97 54.87 1nee s GLU 9 Cb -0.10 -2.66 0.11 0.00 0.10 0.00 0.00 34.13 31.58 1nee s GLU 9 CO 0.31 0.04 0.72 1.03 0.02 0.00 0.00 175.26 177.38 1nee s ARG 10 N -4.35 3.10 -0.87 1.61 0.52 -1.26 -4.44 118.95 113.25 1nee s ARG 10 Ca 0.42 -1.42 -0.04 0.00 -0.52 0.00 0.00 55.73 54.17 1nee s ARG 10 Cb -0.10 -4.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.01 1nee s ARG 10 CO 0.36 -1.54 0.76 0.00 0.02 0.00 0.00 175.30 174.90 1nee n ALA 11 N 6.18 -2.07 0.39 2.13 0.00 -1.26 -4.40 120.51 121.49 1nee n ALA 11 Ca -0.07 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1nee n ALA 11 Cb 0.43 -4.49 0.14 0.00 0.00 0.00 0.00 19.45 15.52 1nee n ALA 11 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1nee h ILE 12 N -0.97 0.00 0.00 0.00 6.09 -1.85 -3.42 117.51 117.36 1nee h ILE 12 Ca -0.50 -0.71 0.00 0.00 -1.37 0.00 0.00 64.86 62.29 1nee h ILE 12 Cb 1.26 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.89 1nee h ILE 12 CO 0.37 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.92 1nee n ASP 13 N -2.42 0.00 0.23 2.19 8.00 -1.26 -5.01 116.55 118.28 1nee n ASP 13 Ca 0.03 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 1nee n ASP 13 Cb 0.48 0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.52 1nee n ASP 13 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1nee h GLN 14 N 0.00 -0.86 -6.35 -1.24 7.50 -2.01 -3.43 115.11 108.72 1nee h GLN 14 Ca 0.00 0.06 -0.59 0.00 0.50 0.00 0.00 58.65 58.62 1nee h GLN 14 Cb 0.00 0.20 0.17 0.00 0.05 0.00 0.00 27.48 27.89 1nee h GLN 14 CO 0.00 -0.57 -0.57 1.28 -1.50 0.00 0.00 178.83 177.47 1nee n LEU 15 N -5.38 -0.42 -4.42 1.46 4.32 -1.26 -4.90 117.00 106.40 1nee n LEU 15 Ca -0.10 0.75 -0.32 0.00 -0.02 0.00 0.00 56.01 56.32 1nee n LEU 15 Cb 0.43 -1.09 0.15 0.00 -1.62 0.00 0.00 43.42 41.29 1nee n LEU 15 CO 0.22 -3.43 -0.05 -0.81 -1.22 0.00 0.00 177.39 172.10 1nee n PRO 16 N 0.43 -0.81 -1.77 3.23 -0.04 -1.26 -4.75 135.00 130.03 1nee n PRO 16 Ca 0.11 -0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 1nee n PRO 16 Cb 0.46 -1.91 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 1nee n PRO 16 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nee s PRO 17 N -3.78 4.10 0.00 0.54 0.04 -1.26 -4.72 135.00 129.92 1nee s PRO 17 Ca 0.59 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.23 1nee s PRO 17 Cb -0.19 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1nee s PRO 17 CO 0.66 -0.61 0.00 -1.91 0.04 0.00 0.00 177.00 175.18 1nee n GLU 18 N 1.49 0.00 -2.01 4.56 2.13 -1.26 -5.07 120.64 120.48 1nee n GLU 18 Ca 0.05 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.61 1nee n GLU 18 Cb 0.38 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.04 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1nee s VAL 19 N -2.26 3.41 0.15 6.31 1.01 -1.26 -4.94 120.40 122.82 1nee s VAL 19 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1nee s VAL 19 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1nee s VAL 19 CO 0.00 -0.87 0.08 0.72 0.00 0.00 0.00 175.10 175.03 1nee s PHE 20 N 10.40 3.06 0.12 5.22 -0.12 -1.26 -4.84 117.98 130.56 1nee s PHE 20 Ca 0.72 -0.04 -0.00 0.00 -0.05 0.00 0.00 56.93 57.56 1nee s PHE 20 Cb -0.07 -1.49 0.02 0.00 -0.63 0.00 0.00 43.02 40.85 1nee s PHE 20 CO 0.01 0.52 0.16 0.39 -0.05 0.00 0.00 175.22 176.25 1nee n GLU 21 N -0.12 0.44 -2.40 1.99 -0.58 -1.26 -5.02 120.64 113.69 1nee n GLU 21 Ca -0.09 -0.42 -0.43 0.00 -0.42 0.00 0.00 57.16 55.80 1nee n GLU 21 Cb 0.54 -0.12 -0.02 0.00 -0.57 0.00 0.00 31.44 31.27 1nee n GLU 21 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1nee s THR 22 N -0.40 4.23 0.47 2.62 -1.32 -1.26 -5.02 115.64 114.97 1nee s THR 22 Ca 0.11 1.49 -0.08 0.00 -1.21 0.00 0.00 61.69 61.99 1nee s THR 22 Cb -0.01 -3.97 0.11 0.00 -1.51 0.00 0.00 72.50 67.12 1nee s THR 22 CO 0.07 -0.15 0.62 2.29 -2.21 0.00 0.00 174.62 175.24 1nee n LYS 23 N 6.68 -0.72 -1.68 7.08 2.85 -1.26 -4.91 118.16 126.21 1nee n LYS 23 Ca 0.14 -0.96 -0.41 0.00 -1.05 0.00 0.00 58.31 56.03 1nee n LYS 23 Cb 0.45 -0.65 -0.01 0.00 -0.65 0.00 0.00 35.03 34.17 1nee n LYS 23 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1nee n ARG 24 N -2.38 3.18 -2.11 -1.58 1.74 -1.26 -4.95 116.66 109.29 1nee n ARG 24 Ca 0.08 -2.60 -0.42 0.00 -0.77 0.00 0.00 57.85 54.13 1nee n ARG 24 Cb 0.27 -3.12 -0.03 0.00 -1.02 0.00 0.00 32.46 28.57 1nee n ARG 24 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1nee s PHE 25 N 2.59 2.60 -0.28 -1.55 0.08 -1.26 -4.99 117.98 115.17 1nee s PHE 25 Ca 0.52 0.59 -0.04 0.00 0.12 0.00 0.00 56.93 58.12 1nee s PHE 25 Cb 0.15 -3.78 0.10 0.00 -0.57 0.00 0.00 43.02 38.92 1nee s PHE 25 CO -0.08 -3.04 0.15 -2.00 -0.10 0.00 0.00 175.22 170.15 1nee s GLU 26 N 2.74 0.20 0.00 0.44 -6.30 -1.26 -4.94 118.70 109.58 1nee s GLU 26 Ca 0.68 -0.45 0.00 0.00 -2.50 0.00 0.00 54.97 52.70 1nee s GLU 26 Cb -0.34 -1.15 0.00 0.00 0.00 0.00 0.00 34.13 32.64 1nee s GLU 26 CO 0.28 -0.99 0.00 0.28 0.02 0.00 0.00 175.26 174.85 1nee n VAL 27 N 5.26 0.00 0.00 3.70 0.31 -1.26 -5.13 118.33 121.21 1nee n VAL 27 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1nee n VAL 27 Cb 0.43 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1nee n VAL 27 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1nee n PRO 28 N -2.11 2.64 -0.41 5.55 -0.02 -1.26 -4.99 135.00 134.40 1nee n PRO 28 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1nee n PRO 28 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1nee n PRO 28 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nee n LYS 29 N 0.00 -0.95 -2.20 -0.52 4.81 -1.26 -5.05 118.16 112.99 1nee n LYS 29 Ca 0.00 0.78 -0.02 0.00 -0.87 0.00 0.00 58.31 58.20 1nee n LYS 29 Cb 0.00 -1.11 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nee n ALA 30 N -2.67 -2.81 -2.84 3.14 0.00 -1.26 -4.87 120.51 109.20 1nee n ALA 30 Ca -0.03 1.08 -0.11 0.00 0.00 0.00 0.00 53.44 54.38 1nee n ALA 30 Cb 0.20 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.24 1nee n ALA 30 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nee s TYR 31 N -0.50 0.68 0.97 0.00 1.13 -1.26 -4.52 117.35 113.85 1nee s TYR 31 Ca -0.10 -0.99 -0.15 0.00 -1.41 0.00 0.00 57.07 54.43 1nee s TYR 31 Cb 0.01 -0.07 0.18 0.00 -1.10 0.00 0.00 41.96 40.97 1nee s TYR 31 CO 0.27 -0.90 1.19 -1.12 -2.51 0.00 0.00 175.55 172.49 1nee s SER 32 N -3.08 3.02 -0.03 -0.18 0.01 -1.26 -4.56 113.70 107.62 1nee s SER 32 Ca 0.28 0.67 0.02 0.00 1.31 0.00 0.00 55.95 58.23 1nee s SER 32 Cb 0.02 -1.02 0.01 0.00 0.21 0.00 0.00 66.02 65.24 1nee s SER 32 CO 0.11 -2.83 -0.06 -0.69 0.41 0.00 0.00 173.24 170.18 1nee s VAL 33 N -3.44 0.58 -0.39 3.43 1.01 -1.25 -4.74 120.40 115.60 1nee s VAL 33 Ca 0.68 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 1nee s VAL 33 Cb -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1nee s VAL 33 CO 0.53 0.21 0.77 -0.51 0.00 0.00 0.00 175.10 176.09 1nee s ILE 34 N 0.45 4.72 -0.49 2.22 -1.16 -1.26 -1.12 121.20 124.57 1nee s ILE 34 Ca -0.06 0.71 0.03 0.00 -0.51 0.00 0.00 60.65 60.82 1nee s ILE 34 Cb -0.10 -4.23 0.13 0.00 0.61 0.00 0.00 42.46 38.87 1nee s ILE 34 CO 0.00 -0.51 0.24 -1.58 -2.81 0.00 0.00 174.94 170.29 1nee s GLN 35 N 3.11 1.73 0.00 3.50 2.00 -0.52 -4.94 119.66 124.54 1nee s GLN 35 Ca 0.30 -2.39 0.00 0.00 -2.00 0.00 0.00 55.36 51.27 1nee s GLN 35 Cb -0.13 -3.00 0.00 0.00 0.80 0.00 0.00 33.01 30.68 1nee s GLN 35 CO 0.18 -1.12 0.00 0.41 -0.50 0.00 0.00 175.29 174.27 1nee n GLY 36 N 3.31 1.32 0.65 2.59 0.00 -1.26 -2.27 105.19 109.52 1nee n GLY 36 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1nee n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nee n ASN 37 N 2.72 -0.23 -4.06 1.61 5.15 -1.26 -5.13 115.26 114.05 1nee n ASN 37 Ca 0.00 -1.33 -0.12 0.00 -0.60 0.00 0.00 54.58 52.54 1nee n ASN 37 Cb 0.00 0.06 -0.11 0.00 -0.53 0.00 0.00 39.78 39.20 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nee s ARG 38 N 0.00 0.54 -0.20 1.20 1.70 -0.96 -3.08 118.95 118.14 1nee s ARG 38 Ca 0.01 -0.84 -0.14 0.00 -0.47 0.00 0.00 55.73 54.29 1nee s ARG 38 Cb 0.01 -0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.16 1nee s ARG 38 CO -0.00 0.01 0.31 -0.08 -1.08 0.00 0.00 175.30 174.46 1nee s THR 39 N -1.84 5.27 -1.14 4.99 -1.32 0.11 -1.44 115.64 120.26 1nee s THR 39 Ca -0.07 0.53 -0.05 0.00 -1.21 0.00 0.00 61.69 60.88 1nee s THR 39 Cb -0.07 -3.64 0.27 0.00 -1.51 0.00 0.00 72.50 67.54 1nee s THR 39 CO -0.01 0.31 1.64 0.33 -2.21 0.00 0.00 174.62 174.68 1nee n PHE 40 N 4.19 2.44 -1.69 9.09 7.35 -0.27 -1.60 117.46 136.96 1nee n PHE 40 Ca -0.11 -2.63 -0.42 0.00 -0.76 0.00 0.00 57.45 53.53 1nee n PHE 40 Cb 0.51 -1.45 -0.03 0.00 0.35 0.00 0.00 39.48 38.86 1nee n PHE 40 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1nee s ILE 41 N -1.98 3.06 -0.18 -2.13 1.01 -0.79 -3.96 121.20 116.22 1nee s ILE 41 Ca 0.34 0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.10 1nee s ILE 41 Cb 0.07 -3.04 -0.13 0.00 0.01 0.00 0.00 42.46 39.36 1nee s ILE 41 CO 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 174.94 174.87 1nee n GLN 42 N 7.52 0.69 -2.27 2.79 3.00 -1.26 -2.41 117.38 125.44 1nee n GLN 42 Ca 0.20 0.09 -0.34 0.00 -0.01 0.00 0.00 57.00 56.94 1nee n GLN 42 Cb 0.41 -1.38 0.02 0.00 0.00 0.00 0.00 30.24 29.29 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nee n ASN 43 N -2.95 6.13 -0.03 1.08 5.03 -1.26 -4.81 115.26 118.45 1nee n ASN 43 Ca -0.32 -3.77 0.23 0.00 0.87 0.00 0.00 54.58 51.59 1nee n ASN 43 Cb 0.88 -0.78 0.55 0.00 -1.02 0.00 0.00 39.78 39.41 1nee n ASN 43 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1nee h PHE 44 N 2.90 0.00 0.00 3.10 3.57 -1.96 1.19 116.94 125.73 1nee h PHE 44 Ca 0.43 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.89 1nee h PHE 44 Cb 0.46 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1nee h PHE 44 CO 1.01 0.00 -0.22 -0.09 -2.23 0.00 0.00 178.31 176.79 1nee h ARG 45 N 0.00 0.00 -0.45 1.11 9.65 -1.97 -1.77 114.38 120.95 1nee h ARG 45 Ca 0.32 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 59.10 1nee h ARG 45 Cb 2.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.60 1nee h ARG 45 CO -0.00 0.57 -0.09 1.49 2.80 0.00 0.00 179.97 184.73 1nee h GLU 46 N -1.00 0.85 -0.46 0.20 4.81 -1.30 -2.44 114.58 115.24 1nee h GLU 46 Ca -0.05 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.73 1nee h GLU 46 Cb 0.66 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1nee h GLU 46 CO -0.03 0.95 -0.25 0.28 -0.73 0.00 0.00 179.01 179.23 1nee h VAL 47 N 0.69 1.27 -0.15 0.32 2.07 0.12 -2.68 116.25 117.88 1nee h VAL 47 Ca 0.12 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1nee h VAL 47 Cb 0.62 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1nee h VAL 47 CO 0.04 0.49 -0.05 0.00 0.02 0.00 0.00 177.57 178.06 1nee h ALA 48 N 0.85 1.64 0.10 1.67 0.00 -1.19 -0.62 119.26 121.71 1nee h ALA 48 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nee h ALA 48 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nee h ALA 48 CO 0.07 0.27 -0.05 0.22 0.00 0.00 0.00 179.25 179.76 1nee h ASP 49 N 0.22 -0.12 -0.67 0.00 1.82 -1.33 -2.36 116.42 113.98 1nee h ASP 49 Ca 0.05 0.00 0.14 0.00 -0.39 0.00 0.00 57.03 56.84 1nee h ASP 49 Cb 0.24 0.03 -0.12 0.00 0.68 0.00 0.00 39.33 40.17 1nee h ASP 49 CO 0.01 0.08 -0.02 0.00 -1.61 0.00 0.00 179.24 177.70 1nee h ALA 50 N -1.62 0.64 -0.35 -0.78 0.00 -1.51 0.13 119.26 115.78 1nee h ALA 50 Ca -0.01 0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1nee h ALA 50 Cb 0.11 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1nee h ALA 50 CO 0.02 -0.41 -0.16 1.25 0.00 0.00 0.00 179.25 179.96 1nee h LEU 51 N 0.10 0.62 -6.00 0.00 5.85 -1.25 -3.36 115.31 111.26 1nee h LEU 51 Ca 0.35 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1nee h LEU 51 Cb 0.58 -0.17 -0.20 0.00 0.37 0.00 0.00 40.66 41.25 1nee h LEU 51 CO -0.59 0.79 -0.22 0.21 -0.34 0.00 0.00 178.44 178.29 1nee s ASN 52 N -6.75 -1.09 0.44 1.25 3.04 -0.14 -4.53 114.94 107.16 1nee s ASN 52 Ca -0.08 0.13 0.37 0.00 0.04 0.00 0.00 52.86 53.32 1nee s ASN 52 Cb 0.14 1.69 1.42 0.00 -1.54 0.00 0.00 41.25 42.96 1nee s ASN 52 CO 0.80 -0.20 1.36 -2.11 -3.04 0.00 0.00 177.10 173.92 1nee n ARG 53 N 5.28 -0.01 -3.31 0.43 1.85 -0.21 -4.14 116.66 116.55 1nee n ARG 53 Ca 0.07 1.02 -0.38 0.00 -1.00 0.00 0.00 57.85 57.55 1nee n ARG 53 Cb 0.56 -2.17 -0.06 0.00 -1.05 0.00 0.00 32.46 29.73 1nee n ARG 53 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1nee s ASP 54 N -4.08 6.91 0.14 2.89 1.01 -1.26 -4.85 116.67 117.43 1nee s ASP 54 Ca -0.05 1.08 -0.08 0.00 0.71 0.00 0.00 52.55 54.21 1nee s ASP 54 Cb 0.25 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1nee s ASP 54 CO 0.75 0.17 1.38 1.55 0.21 0.00 0.00 175.17 179.24 1nee h PRO 55 N 5.36 0.66 -0.26 8.23 0.13 -1.87 -3.11 132.00 141.14 1nee h PRO 55 Ca -0.47 -0.50 -0.17 0.00 -0.87 0.00 0.00 66.00 63.99 1nee h PRO 55 Cb 1.20 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1nee h PRO 55 CO 0.67 1.12 -0.49 0.37 -0.23 0.00 0.00 178.00 179.45 1nee h GLN 56 N 0.46 0.80 0.00 0.86 4.15 -1.94 -2.96 115.11 116.48 1nee h GLN 56 Ca -0.03 -0.50 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 1nee h GLN 56 Cb 1.30 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.05 1nee h GLN 56 CO 0.14 1.13 -0.04 1.25 -1.93 0.00 0.00 178.83 179.38 1nee h HIS 57 N 0.55 0.00 0.05 3.99 2.76 -1.92 -1.75 115.15 118.84 1nee h HIS 57 Ca 0.01 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.90 1nee h HIS 57 Cb 1.09 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.08 1nee h HIS 57 CO 0.08 0.04 -1.13 1.25 -1.30 0.00 0.00 177.93 176.87 1nee h LEU 58 N 0.00 0.89 -0.95 0.26 5.85 -1.45 -2.64 115.31 117.27 1nee h LEU 58 Ca -0.00 -0.76 -0.11 0.00 0.84 0.00 0.00 57.88 57.85 1nee h LEU 58 Cb 0.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1nee h LEU 58 CO 0.01 1.56 -0.50 0.25 -0.34 0.00 0.00 178.44 179.42 1nee h LEU 59 N 0.34 0.06 0.08 2.25 6.46 -1.23 -1.48 115.31 121.79 1nee h LEU 59 Ca -0.15 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1nee h LEU 59 Cb 1.79 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 1nee h LEU 59 CO 0.22 0.55 -0.04 0.11 -0.62 0.00 0.00 178.44 178.67 1nee h LYS 60 N 0.05 -0.10 -0.77 1.25 1.57 -1.38 -2.40 116.57 114.79 1nee h LYS 60 Ca -0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nee h LYS 60 Cb 0.90 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 1nee h LYS 60 CO 0.07 0.45 0.47 0.35 -0.57 0.00 0.00 179.45 180.22 1nee h PHE 61 N -0.76 0.99 0.12 -1.35 3.57 -1.49 0.01 116.94 118.04 1nee h PHE 61 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1nee h PHE 61 Cb 0.59 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1nee h PHE 61 CO 0.12 0.65 -0.16 1.25 -2.23 0.00 0.00 178.31 177.95 1nee h LEU 62 N 1.05 -0.42 -1.09 0.59 5.85 -1.30 -2.50 115.31 117.49 1nee h LEU 62 Ca 0.28 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 1nee h LEU 62 Cb -0.06 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1nee h LEU 62 CO -0.05 -0.23 -0.45 0.17 -0.34 0.00 0.00 178.44 177.53 1nee h LEU 63 N -0.32 0.00 -0.55 2.25 8.10 -1.08 -0.69 115.31 123.01 1nee h LEU 63 Ca 0.01 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.06 1nee h LEU 63 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.49 1nee h LEU 63 CO -0.06 0.45 0.28 0.03 -4.11 0.00 0.00 178.44 175.02 1nee h ARG 64 N 0.00 0.51 0.00 0.17 3.08 -0.56 -2.85 114.38 114.72 1nee h ARG 64 Ca -0.00 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.78 1nee h ARG 64 Cb 0.81 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 1nee h ARG 64 CO 0.06 0.34 -1.55 1.49 -1.07 0.00 0.00 179.97 179.23 1nee h GLU 65 N 0.53 0.00 -5.88 0.04 4.57 -1.44 -3.46 114.58 108.94 1nee h GLU 65 Ca 0.25 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.81 1nee h GLU 65 Cb 0.17 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1nee h GLU 65 CO -0.18 0.43 1.48 1.28 -1.18 0.00 0.00 179.01 180.84 1nee n LEU 66 N -3.00 2.29 -0.24 1.64 4.32 -0.27 -3.78 117.00 117.97 1nee n LEU 66 Ca -0.13 0.24 0.11 0.00 -0.02 0.00 0.00 56.01 56.20 1nee n LEU 66 Cb 0.96 -1.35 0.51 0.00 -1.62 0.00 0.00 43.42 41.93 1nee n LEU 66 CO 0.44 -0.83 0.84 0.61 -1.22 0.00 0.00 177.39 177.24 1nee n GLY 67 N 6.32 -0.45 3.45 -0.72 0.00 -1.26 -4.79 105.19 107.74 1nee n GLY 67 Ca 0.40 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1nee n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nee s THR 68 N -1.92 1.27 0.02 2.61 -4.23 -1.25 -4.95 115.64 107.19 1nee s THR 68 Ca 0.32 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1nee s THR 68 Cb 0.16 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1nee s THR 68 CO 0.25 -0.05 0.76 0.00 -0.54 0.00 0.00 174.62 175.04 1nee n ALA 69 N -0.68 -0.07 -0.13 3.99 0.00 -1.26 -4.72 120.51 117.65 1nee n ALA 69 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1nee n ALA 69 Cb 0.66 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1nee n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nee n GLY 70 N -1.03 0.34 3.66 0.00 0.00 -1.24 -5.00 105.19 101.92 1nee n GLY 70 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 1nee n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nee s ASN 71 N 0.00 -0.30 -0.40 1.61 0.02 -1.26 -4.94 114.94 109.67 1nee s ASN 71 Ca 0.00 -0.28 -0.23 0.00 -1.02 0.00 0.00 52.86 51.33 1nee s ASN 71 Cb 0.00 0.52 0.02 0.00 0.02 0.00 0.00 41.25 41.81 1nee s ASN 71 CO 0.00 -0.92 0.80 -0.76 0.02 0.00 0.00 177.10 176.24 1nee s LEU 72 N -2.79 4.16 0.21 0.60 1.43 -1.26 -2.76 118.68 118.26 1nee s LEU 72 Ca 0.09 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 1nee s LEU 72 Cb -0.02 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1nee s LEU 72 CO -0.02 -0.83 0.18 -1.61 0.23 0.00 0.00 176.35 174.29 1nee s GLU 73 N 3.24 2.95 0.39 1.70 2.02 -0.71 -4.78 118.70 123.51 1nee s GLU 73 Ca 0.31 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1nee s GLU 73 Cb -0.12 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1nee s GLU 73 CO 0.20 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1nee n GLY 74 N -0.76 -2.11 0.45 -1.39 0.00 -1.26 -2.39 105.19 97.73 1nee n GLY 74 Ca -0.08 -0.97 0.26 0.00 0.00 0.00 0.00 46.02 45.23 1nee n GLY 74 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nee h GLY 75 N -1.31 0.32 0.00 -0.02 0.00 -2.01 -3.42 103.07 96.63 1nee h GLY 75 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1nee h GLY 75 CO 0.03 -0.02 0.00 0.54 0.00 0.00 0.00 176.54 177.10 1nee n ARG 76 N -4.35 1.38 -3.24 4.80 3.00 -1.25 -5.02 116.66 111.98 1nee n ARG 76 Ca 0.20 0.00 -0.45 0.00 -0.01 0.00 0.00 57.85 57.59 1nee n ARG 76 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.38 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nee n ALA 77 N -3.00 4.43 -3.07 7.54 0.00 -1.01 -4.05 120.51 121.35 1nee n ALA 77 Ca 0.00 -4.68 -0.45 0.00 0.00 0.00 0.00 53.44 48.31 1nee n ALA 77 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 16.96 1nee n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nee s ILE 78 N -1.47 5.05 0.67 0.00 1.01 -1.00 -1.89 121.20 123.57 1nee s ILE 78 Ca 0.32 -1.91 0.03 0.00 0.00 0.00 0.00 60.65 59.09 1nee s ILE 78 Cb -0.06 -4.67 0.13 0.00 0.01 0.00 0.00 42.46 37.87 1nee s ILE 78 CO -0.04 -1.33 0.93 0.00 0.00 0.00 0.00 174.94 174.50 1nee n LEU 79 N 5.61 0.00 -3.87 2.97 -0.00 -0.63 -1.74 117.00 119.33 1nee n LEU 79 Ca 0.20 -2.20 -0.13 0.00 -0.00 0.00 0.00 56.01 53.88 1nee n LEU 79 Cb 0.48 -0.57 -0.14 0.00 -0.00 0.00 0.00 43.42 43.19 1nee n LEU 79 CO 0.44 -0.90 -0.37 -1.58 -0.00 0.00 0.00 177.39 174.98 1nee s GLN 80 N -4.93 0.10 0.00 1.47 0.74 -1.26 -0.72 119.66 115.07 1nee s GLN 80 Ca 0.64 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 56.03 1nee s GLN 80 Cb -0.04 -0.14 0.00 0.00 1.10 0.00 0.00 33.01 33.93 1nee s GLN 80 CO 0.42 -0.00 0.00 0.41 -0.55 0.00 0.00 175.29 175.56 1nee n GLY 81 N 3.24 -1.08 0.00 2.59 0.00 -1.18 -3.67 105.19 105.10 1nee n GLY 81 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1nee n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nee n LYS 82 N 0.00 0.00 -0.99 1.61 5.02 -1.25 -4.00 118.16 118.56 1nee n LYS 82 Ca 0.00 -0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 55.98 1nee n LYS 82 Cb 0.00 -0.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.56 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1nee n PHE 83 N 0.00 0.82 -1.76 2.13 3.01 -1.26 -4.57 117.46 115.83 1nee n PHE 83 Ca 0.00 -1.63 -0.40 0.00 1.01 0.00 0.00 57.45 56.42 1nee n PHE 83 Cb 0.35 -1.13 -0.01 0.00 -0.01 0.00 0.00 39.48 38.68 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nee n THR 84 N 1.28 4.41 -3.06 4.37 -2.24 -1.26 -4.40 114.28 113.37 1nee n THR 84 Ca 0.32 -3.46 -0.19 0.00 -2.27 0.00 0.00 64.05 58.44 1nee n THR 84 Cb 0.64 -2.42 0.04 0.00 -2.10 0.00 0.00 70.33 66.49 1nee n THR 84 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1nee n HIS 85 N 3.63 -1.90 0.00 4.78 -0.00 -1.26 -4.61 115.22 115.86 1nee n HIS 85 Ca 0.62 0.57 0.00 0.00 0.46 0.00 0.00 57.72 59.37 1nee n HIS 85 Cb 0.29 -4.10 0.00 0.00 -0.12 0.00 0.00 29.99 26.06 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1nee n PHE 86 N -4.41 0.00 0.04 1.57 3.01 -1.26 -4.20 117.46 112.20 1nee n PHE 86 Ca -0.06 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.33 1nee n PHE 86 Cb 0.59 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.16 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1nee h LEU 87 N 0.00 0.47 0.41 4.37 -0.00 -1.91 -2.73 115.31 115.92 1nee h LEU 87 Ca 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 57.62 1nee h LEU 87 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 1nee h LEU 87 CO 0.00 0.92 -0.40 0.40 -0.00 0.00 0.00 178.44 179.36 1nee h ILE 88 N 0.33 0.00 -0.11 1.22 2.04 -1.91 0.29 117.51 119.37 1nee h ILE 88 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1nee h ILE 88 Cb 1.04 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1nee h ILE 88 CO 0.09 0.00 -0.18 -1.13 0.00 0.00 0.00 178.15 176.93 1nee h ASN 89 N -0.80 -0.56 0.45 1.72 -0.00 -1.73 0.20 115.58 114.86 1nee h ASN 89 Ca -0.05 0.10 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 1nee h ASN 89 Cb 0.69 0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 39.26 1nee h ASN 89 CO -0.04 -0.24 -0.34 -0.33 -0.00 0.00 0.00 177.43 176.48 1nee h GLU 90 N -0.24 -0.75 -0.20 6.67 5.08 -1.39 0.31 114.58 124.07 1nee h GLU 90 Ca 0.09 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1nee h GLU 90 Cb 0.37 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1nee h GLU 90 CO -0.25 -0.50 0.04 -0.09 -1.00 0.00 0.00 179.01 177.21 1nee h ARG 91 N -0.77 0.12 0.18 2.33 1.12 -0.32 -1.15 114.38 115.89 1nee h ARG 91 Ca -0.04 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1nee h ARG 91 Cb 0.66 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.55 1nee h ARG 91 CO 0.00 0.08 -0.43 0.82 -3.11 0.00 0.00 179.97 177.34 1nee h ILE 92 N 0.12 0.15 -0.50 1.20 2.04 -0.46 -1.12 117.51 118.94 1nee h ILE 92 Ca 0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.09 1nee h ILE 92 Cb 0.08 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1nee h ILE 92 CO -0.11 0.00 0.39 -0.08 0.00 0.00 0.00 178.15 178.34 1nee h GLU 93 N -0.70 0.00 -0.40 2.37 4.81 -0.73 0.33 114.58 120.26 1nee h GLU 93 Ca 0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1nee h GLU 93 Cb 0.70 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1nee h GLU 93 CO -0.21 0.00 0.08 -0.44 -0.73 0.00 0.00 179.01 177.71 1nee h ASP 94 N 0.00 0.62 0.00 1.04 3.32 0.08 0.13 116.42 121.62 1nee h ASP 94 Ca 0.24 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1nee h ASP 94 Cb 1.01 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1nee h ASP 94 CO -0.00 0.71 -0.38 0.22 -1.72 0.00 0.00 179.24 178.07 1nee h TYR 95 N 0.51 0.00 -0.96 4.55 3.20 -0.83 -3.04 116.97 120.40 1nee h TYR 95 Ca 0.12 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.06 1nee h TYR 95 Cb 0.34 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 1nee h TYR 95 CO 0.02 0.19 0.62 -0.39 -1.64 0.00 0.00 178.16 176.97 1nee h VAL 96 N -1.00 1.08 -1.56 1.81 -1.51 -0.54 -2.55 116.25 111.98 1nee h VAL 96 Ca -0.03 -0.38 -0.66 0.00 -1.23 0.00 0.00 66.70 64.39 1nee h VAL 96 Cb 0.44 -0.13 -0.35 0.00 -2.13 0.00 0.00 31.29 29.12 1nee h VAL 96 CO -0.02 0.20 0.12 0.59 -1.23 0.00 0.00 177.57 177.23 1nee n ASN 97 N -4.49 6.14 0.00 4.19 5.03 0.46 -4.67 115.26 121.92 1nee n ASN 97 Ca 0.15 -3.78 0.13 0.00 0.87 0.00 0.00 54.58 51.95 1nee n ASN 97 Cb 0.19 -0.74 0.79 0.00 -1.02 0.00 0.00 39.78 39.01 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1nee n LYS 98 N -0.58 0.98 -0.02 3.52 2.85 -0.96 -2.37 118.16 121.57 1nee n LYS 98 Ca 0.48 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.58 1nee n LYS 98 Cb 0.53 -1.42 -0.12 0.00 -0.65 0.00 0.00 35.03 33.36 1nee n LYS 98 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1nee h PHE 99 N 0.00 0.25 0.00 5.58 -5.15 -1.85 -2.32 116.94 113.44 1nee h PHE 99 Ca 0.00 -0.15 0.00 0.00 -0.20 0.00 0.00 57.97 57.62 1nee h PHE 99 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 36.15 1nee h PHE 99 CO 0.00 1.01 -1.16 0.28 -2.00 0.00 0.00 178.31 176.44 1nee n VAL 100 N -4.47 0.22 -0.09 0.88 0.31 -1.22 0.10 118.33 114.07 1nee n VAL 100 Ca -0.10 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.77 1nee n VAL 100 Cb 0.55 0.09 -0.06 0.00 -0.91 0.00 0.00 33.84 33.51 1nee n VAL 100 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1nee n ILE 101 N -2.13 1.47 -0.10 2.52 -0.00 -1.00 -4.30 119.36 115.83 1nee n ILE 101 Ca 0.01 0.09 -0.06 0.00 -0.00 0.00 0.00 62.75 62.79 1nee n ILE 101 Cb 0.47 -2.23 0.03 0.00 -0.00 0.00 0.00 39.64 37.91 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nee n HIS 103 N 0.62 -1.48 -3.69 0.00 8.25 -1.26 -2.31 115.22 115.35 1nee n HIS 103 Ca 0.13 0.71 -0.25 0.00 -0.26 0.00 0.00 57.72 58.05 1nee n HIS 103 Cb 0.63 -2.91 0.01 0.00 1.12 0.00 0.00 29.99 28.83 1nee n HIS 103 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1nee n GLU 104 N -4.38 -1.60 -0.76 -0.41 0.00 0.28 -4.76 120.64 109.00 1nee n GLU 104 Ca -0.13 0.93 -0.08 0.00 0.00 0.00 0.00 57.16 57.88 1nee n GLU 104 Cb 0.59 -2.51 -0.11 0.00 0.00 0.00 0.00 31.44 29.41 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nee n ASN 106 N 2.38 0.00 -4.72 0.00 3.02 -1.26 -4.79 115.26 109.89 1nee n ASN 106 Ca 0.29 0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 55.03 1nee n ASN 106 Cb 0.70 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 1nee n ASN 106 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1nee s ARG 107 N -1.51 4.50 -0.54 3.52 6.06 -1.26 -4.90 118.95 124.82 1nee s ARG 107 Ca 0.00 1.66 -0.24 0.00 -2.50 0.00 0.00 55.73 54.65 1nee s ARG 107 Cb 0.00 -3.37 -0.25 0.00 0.06 0.00 0.00 34.95 31.39 1nee s ARG 107 CO 0.00 -0.14 1.72 -2.30 -2.50 0.00 0.00 175.30 172.08 1nee n PRO 108 N 3.65 0.04 0.00 5.12 -0.02 -1.26 -4.50 135.00 138.04 1nee n PRO 108 Ca 0.07 -1.19 0.10 0.00 -2.02 0.00 0.00 63.50 60.46 1nee n PRO 108 Cb 0.48 -2.98 -0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1nee n PRO 108 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nee n ASP 109 N 13.73 1.96 -3.69 2.55 8.00 -1.26 -4.99 116.55 132.84 1nee n ASP 109 Ca 0.37 -1.48 -0.18 0.00 0.71 0.00 0.00 54.79 54.20 1nee n ASP 109 Cb 0.44 0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 41.92 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nee s THR 110 N -2.31 0.09 -0.62 -3.53 -4.23 -1.26 -5.04 115.64 98.73 1nee s THR 110 Ca 0.17 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.46 1nee s THR 110 Cb 0.17 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 71.59 1nee s THR 110 CO 0.52 0.00 0.89 -0.13 -0.54 0.00 0.00 174.62 175.36 1nee s ARG 111 N -3.68 3.13 -0.11 3.99 3.00 -1.26 -5.02 118.95 118.99 1nee s ARG 111 Ca 0.38 -0.83 -0.04 0.00 0.00 0.00 0.00 55.73 55.24 1nee s ARG 111 Cb 0.04 -4.20 -0.04 0.00 0.00 0.00 0.00 34.95 30.75 1nee s ARG 111 CO 0.22 -1.68 0.05 0.42 0.00 0.00 0.00 175.30 174.31 1nee s ILE 112 N 3.72 4.74 -0.02 1.52 1.01 -1.26 -4.50 121.20 126.41 1nee s ILE 112 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1nee s ILE 112 Cb -0.18 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.28 1nee s ILE 112 CO 0.11 0.58 0.03 -0.63 0.00 0.00 0.00 174.94 175.03 1nee s ILE 113 N -0.68 -0.04 -0.09 2.92 -1.09 -1.25 -4.96 121.20 116.00 1nee s ILE 113 Ca 0.12 0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.78 1nee s ILE 113 Cb -0.12 -0.09 0.01 0.00 -1.58 0.00 0.00 42.46 40.67 1nee s ILE 113 CO 0.02 0.10 -0.20 0.00 -1.23 0.00 0.00 174.94 173.63 1nee s ARG 114 N 1.09 2.60 -0.03 2.79 3.03 -1.25 -2.28 118.95 124.89 1nee s ARG 114 Ca -0.09 -0.72 0.06 0.00 2.03 0.00 0.00 55.73 57.01 1nee s ARG 114 Cb -0.13 -2.03 -0.01 0.00 -1.03 0.00 0.00 34.95 31.75 1nee s ARG 114 CO -0.03 0.10 -0.21 -2.00 -1.13 0.00 0.00 175.30 172.04 1nee s GLU 115 N 0.53 1.91 0.00 3.89 2.56 -0.97 -4.76 118.70 121.85 1nee s GLU 115 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 54.97 54.08 1nee s GLU 115 Cb -0.17 -1.72 0.00 0.00 2.00 0.00 0.00 34.13 34.24 1nee s GLU 115 CO 0.06 0.37 0.00 0.41 -0.56 0.00 0.00 175.26 175.54 1nee n GLY 116 N 2.83 1.31 3.50 -1.50 0.00 -1.26 -1.78 105.19 108.28 1nee n GLY 116 Ca -0.17 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1nee n GLY 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nee n ARG 117 N -0.60 -3.44 -2.41 1.61 0.00 -1.26 -3.46 116.66 107.10 1nee n ARG 117 Ca 0.00 0.71 -0.07 0.00 -0.00 0.00 0.00 57.85 58.48 1nee n ARG 117 Cb 0.13 -5.28 0.04 0.00 0.00 0.00 0.00 32.46 27.34 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1nee n ILE 118 N -3.87 -4.38 0.00 5.15 2.08 -1.26 -4.99 119.36 112.09 1nee n ILE 118 Ca -0.17 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.59 1nee n ILE 118 Cb 0.64 -4.43 0.00 0.00 -0.75 0.00 0.00 39.64 35.10 1nee n ILE 118 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1nee n SER 119 N -2.24 4.09 -4.30 4.38 2.88 -1.17 -5.04 113.62 112.23 1nee n SER 119 Ca -0.06 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.32 1nee n SER 119 Cb 0.56 0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nee s LEU 120 N -4.85 2.43 -0.15 2.46 2.01 -0.73 -4.97 118.68 114.87 1nee s LEU 120 Ca 0.00 -1.09 -0.29 0.00 0.01 0.00 0.00 54.13 52.77 1nee s LEU 120 Cb 0.00 -0.39 0.09 0.00 0.01 0.00 0.00 46.19 45.90 1nee s LEU 120 CO 0.00 -0.36 0.79 -0.76 1.01 0.00 0.00 176.35 177.02 1nee s LEU 121 N -3.25 -0.61 0.02 1.79 1.02 -0.86 -2.30 118.68 114.49 1nee s LEU 121 Ca 0.22 0.88 0.07 0.00 0.02 0.00 0.00 54.13 55.31 1nee s LEU 121 Cb 0.03 2.33 -0.03 0.00 0.02 0.00 0.00 46.19 48.54 1nee s LEU 121 CO 0.05 -0.42 -0.19 -0.75 0.02 0.00 0.00 176.35 175.06 1nee s LYS 122 N -0.60 2.13 -0.36 1.70 2.36 -0.97 -1.84 119.74 122.17 1nee s LYS 122 Ca -0.05 -0.93 0.14 0.00 -2.55 0.00 0.00 55.97 52.58 1nee s LYS 122 Cb -0.02 -2.19 0.41 0.00 -1.05 0.00 0.00 37.83 34.97 1nee s LYS 122 CO 0.04 0.55 0.95 0.00 1.55 0.00 0.00 175.35 178.45 1nee h GLU 124 N 2.87 0.00 0.00 0.00 4.57 -1.83 -2.17 114.58 118.01 1nee h GLU 124 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1nee h GLU 124 Cb 1.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1nee h GLU 124 CO 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.23 1nee n ALA 125 N -2.53 -0.22 -0.61 2.92 0.00 -1.26 -3.60 120.51 115.22 1nee n ALA 125 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1nee n ALA 125 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1nee n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nee n GLY 127 N 1.66 0.14 3.33 0.00 0.00 -0.94 -4.67 105.19 104.70 1nee n GLY 127 Ca 0.09 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 1nee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nee s ALA 128 N -1.98 -1.08 0.05 4.61 0.00 -0.86 -3.70 121.76 118.81 1nee s ALA 128 Ca 0.00 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 1nee s ALA 128 Cb 0.00 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1nee s ALA 128 CO 0.00 -0.32 0.40 0.21 0.00 0.00 0.00 175.76 176.05 1nee s LYS 129 N -1.50 0.93 -0.59 0.00 2.47 -1.26 -4.62 119.74 115.17 1nee s LYS 129 Ca -0.11 -0.42 -0.19 0.00 -1.56 0.00 0.00 55.97 53.69 1nee s LYS 129 Cb -0.03 0.41 0.09 0.00 -1.46 0.00 0.00 37.83 36.84 1nee s LYS 129 CO 0.05 -0.32 0.73 0.00 0.16 0.00 0.00 175.35 175.97 1nee s ALA 130 N -2.63 3.37 -1.02 3.13 0.00 -0.77 -4.34 121.76 119.50 1nee s ALA 130 Ca -0.04 -2.12 0.16 0.00 0.00 0.00 0.00 51.96 49.96 1nee s ALA 130 Cb -0.00 -3.56 0.70 0.00 0.00 0.00 0.00 23.12 20.26 1nee s ALA 130 CO -0.04 -2.37 1.52 -0.35 0.00 0.00 0.00 175.76 174.52 1nee n PRO 131 N 6.51 0.01 -2.69 0.00 -0.04 -1.12 -2.03 135.00 135.64 1nee n PRO 131 Ca -0.08 0.21 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 1nee n PRO 131 Cb 0.43 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1nee n PRO 131 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1nee n LEU 132 N -1.49 -1.72 0.00 1.53 -0.00 -1.26 -4.44 117.00 109.62 1nee n LEU 132 Ca 0.04 -2.77 0.00 0.00 -0.00 0.00 0.00 56.01 53.28 1nee n LEU 132 Cb 0.19 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.41 1nee n LEU 132 CO 0.15 1.75 0.00 1.17 -0.00 0.00 0.00 177.39 180.46 1nee n LYS 133 N 0.13 1.35 -1.60 1.47 4.81 -1.26 -4.79 118.16 118.28 1nee n LYS 133 Ca -0.04 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.87 1nee n LYS 133 Cb 0.74 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.72 1nee n LYS 133 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1nee n ASN 134 N 0.00 1.63 0.00 3.14 6.94 -1.26 -5.16 115.26 120.55 1nee n ASN 134 Ca 0.00 1.12 0.00 0.00 -0.02 0.00 0.00 54.58 55.68 1nee n ASN 134 Cb 0.00 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 1nee n ASN 134 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75