#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 -0.90 -0.05 7.83 -0.08 -1.26 -4.96 116.55 117.13 1nee n ASP 2 Ca 0.00 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.10 1nee n ASP 2 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1nee n ASP 2 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1nee h ASP 3 N -1.03 0.12 0.00 1.67 1.82 -2.11 -3.47 116.42 113.43 1nee h ASP 3 Ca 0.00 -0.81 0.00 0.00 -0.39 0.00 0.00 57.03 55.83 1nee h ASP 3 Cb 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1nee h ASP 3 CO 0.00 1.31 0.00 0.00 -1.61 0.00 0.00 179.24 178.94 1nee n TYR 4 N -4.37 0.00 0.00 0.28 4.19 -1.26 -5.10 117.16 110.89 1nee n TYR 4 Ca -0.20 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.01 1nee n TYR 4 Cb 0.66 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.49 1nee n TYR 4 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1nee n GLU 5 N 0.00 0.00 -3.60 2.98 1.02 -1.26 -5.05 120.64 114.72 1nee n GLU 5 Ca 0.00 0.10 -0.04 0.00 -0.02 0.00 0.00 57.16 57.20 1nee n GLU 5 Cb 0.00 -0.86 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 1nee n GLU 5 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1nee s LYS 6 N -0.81 0.28 0.03 3.49 0.00 -1.26 -5.18 119.74 116.28 1nee s LYS 6 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 55.97 55.87 1nee s LYS 6 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 37.83 37.93 1nee s LYS 6 CO 0.00 -0.12 -0.05 -0.48 0.00 0.00 0.00 175.35 174.70 1nee s LEU 7 N -2.19 2.28 -0.45 2.77 2.34 -1.26 -5.12 118.68 117.05 1nee s LEU 7 Ca 0.10 -0.59 -0.11 0.00 0.06 0.00 0.00 54.13 53.58 1nee s LEU 7 Cb -0.01 0.01 0.09 0.00 -0.56 0.00 0.00 46.19 45.72 1nee s LEU 7 CO -0.04 -0.30 0.32 -0.22 -1.06 0.00 0.00 176.35 175.05 1nee s LEU 8 N -1.72 5.42 0.00 1.48 2.96 -1.26 -4.89 118.68 120.68 1nee s LEU 8 Ca -0.10 -1.52 0.22 0.00 -0.22 0.00 0.00 54.13 52.51 1nee s LEU 8 Cb -0.08 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 1nee s LEU 8 CO -0.02 -0.61 1.06 -1.84 -1.32 0.00 0.00 176.35 173.63 1nee n GLU 9 N 5.02 0.06 -2.92 1.98 -0.00 -1.26 -4.53 120.64 118.99 1nee n GLU 9 Ca -0.11 -0.05 -0.41 0.00 -0.00 0.00 0.00 57.16 56.59 1nee n GLU 9 Cb 0.43 -1.50 -0.04 0.00 -0.00 0.00 0.00 31.44 30.32 1nee n GLU 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1nee s ARG 10 N -2.97 4.22 -1.72 3.44 3.52 -1.26 -3.70 118.95 120.47 1nee s ARG 10 Ca 0.09 0.92 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 1nee s ARG 10 Cb 0.17 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1nee s ARG 10 CO 0.81 -0.43 0.00 0.00 -0.81 0.00 0.00 175.30 174.87 1nee n ALA 11 N 5.67 -0.50 0.35 6.12 0.00 -1.26 -4.86 120.51 126.03 1nee n ALA 11 Ca 0.04 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.80 1nee n ALA 11 Cb 0.48 -2.02 0.26 0.00 0.00 0.00 0.00 19.45 18.17 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 0.00 0.00 0.00 0.00 -0.00 -1.76 -3.37 117.51 112.38 1nee h ILE 12 Ca -0.44 -0.82 0.00 0.00 -0.00 0.00 0.00 64.86 63.60 1nee h ILE 12 Cb 1.31 1.82 0.00 0.00 -0.00 0.00 0.00 36.82 39.95 1nee h ILE 12 CO 0.54 0.00 0.00 -0.67 -0.00 0.00 0.00 178.15 178.02 1nee n ASP 13 N -2.83 0.00 -0.03 2.19 2.03 -1.26 -4.99 116.55 111.66 1nee n ASP 13 Ca 0.04 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.22 1nee n ASP 13 Cb 0.49 0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.82 1nee n ASP 13 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1nee h GLN 14 N 0.00 0.06 -5.87 -0.67 1.08 -1.91 -3.44 115.11 104.37 1nee h GLN 14 Ca 0.00 -0.05 -0.57 0.00 -1.45 0.00 0.00 58.65 56.58 1nee h GLN 14 Cb 0.00 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.37 1nee h GLN 14 CO 0.00 0.68 -0.05 -1.17 -0.95 0.00 0.00 178.83 177.34 1nee s LEU 15 N -8.90 4.30 -0.30 1.46 2.96 -1.26 -4.99 118.68 111.94 1nee s LEU 15 Ca -0.16 0.97 -0.35 0.00 -0.22 0.00 0.00 54.13 54.37 1nee s LEU 15 Cb 0.01 -2.85 -0.11 0.00 0.50 0.00 0.00 46.19 43.74 1nee s LEU 15 CO 0.70 -0.03 2.10 -0.81 -1.32 0.00 0.00 176.35 176.99 1nee n PRO 16 N 3.62 1.28 -0.02 0.98 -0.04 -1.26 -4.37 135.00 135.18 1nee n PRO 16 Ca -0.05 0.39 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1nee n PRO 16 Cb 0.51 -2.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.45 1nee n PRO 16 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1nee h PRO 17 N 11.57 0.14 0.00 0.54 0.13 -1.93 -3.46 132.00 138.99 1nee h PRO 17 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1nee h PRO 17 Cb 1.31 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1nee h PRO 17 CO 1.00 0.09 0.00 -1.91 -0.23 0.00 0.00 178.00 176.95 1nee n GLU 18 N -5.04 0.00 -2.80 0.86 2.13 -1.26 -4.94 120.64 109.59 1nee n GLU 18 Ca -0.04 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.48 1nee n GLU 18 Cb 0.06 -0.17 -0.03 0.00 0.27 0.00 0.00 31.44 31.56 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 0.00 4.76 -0.35 6.31 1.01 -1.26 -4.99 120.40 125.88 1nee s VAL 19 Ca 0.00 0.69 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1nee s VAL 19 Cb 0.00 -3.73 0.72 0.00 0.00 0.00 0.00 36.38 33.37 1nee s VAL 19 CO 0.00 -0.54 1.82 2.22 0.00 0.00 0.00 175.10 178.60 1nee n PHE 20 N -1.33 2.51 -0.28 5.22 1.16 -1.26 -5.00 117.46 118.48 1nee n PHE 20 Ca 0.03 -1.34 -0.29 0.00 -1.87 0.00 0.00 57.45 53.98 1nee n PHE 20 Cb 0.54 -0.73 0.28 0.00 -1.61 0.00 0.00 39.48 37.96 1nee n PHE 20 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 1nee n GLU 21 N -0.38 -4.42 -2.96 3.97 0.28 -1.26 -4.98 120.64 110.90 1nee n GLU 21 Ca 0.44 -1.31 -0.32 0.00 -0.16 0.00 0.00 57.16 55.81 1nee n GLU 21 Cb 1.43 -1.88 -0.06 0.00 1.43 0.00 0.00 31.44 32.35 1nee n GLU 21 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1nee s THR 22 N -2.13 4.58 0.49 3.84 -1.32 -1.26 -5.07 115.64 114.77 1nee s THR 22 Ca 0.63 1.13 -0.08 0.00 -1.21 0.00 0.00 61.69 62.16 1nee s THR 22 Cb -0.12 -3.62 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 1nee s THR 22 CO 0.54 -0.29 0.84 -1.59 -2.21 0.00 0.00 174.62 171.91 1nee s LYS 23 N -3.19 3.64 -1.07 7.08 -2.85 -1.26 -4.97 119.74 117.11 1nee s LYS 23 Ca 0.57 0.41 -0.07 0.00 -1.00 0.00 0.00 55.97 55.89 1nee s LYS 23 Cb -0.10 -2.31 -0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1nee s LYS 23 CO 0.18 -0.23 2.80 0.54 0.10 0.00 0.00 175.35 178.73 1nee n ARG 24 N -2.06 3.60 -3.01 1.78 5.12 -1.26 -4.85 116.66 115.97 1nee n ARG 24 Ca 0.02 -2.56 -0.44 0.00 -1.93 0.00 0.00 57.85 52.94 1nee n ARG 24 Cb 0.55 -2.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.32 1nee n ARG 24 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1nee s PHE 25 N -0.01 3.37 -0.23 -1.55 0.08 -1.26 -4.93 117.98 113.46 1nee s PHE 25 Ca 0.61 -1.74 -0.05 0.00 0.12 0.00 0.00 56.93 55.87 1nee s PHE 25 Cb 0.24 -4.20 0.12 0.00 -0.57 0.00 0.00 43.02 38.60 1nee s PHE 25 CO -0.09 -1.37 0.44 -1.21 -0.10 0.00 0.00 175.22 172.89 1nee s GLU 26 N 1.84 0.37 -0.21 0.44 2.02 -1.26 -5.14 118.70 116.77 1nee s GLU 26 Ca 0.33 0.93 -0.05 0.00 0.02 0.00 0.00 54.97 56.20 1nee s GLU 26 Cb -0.05 0.17 0.10 0.00 0.10 0.00 0.00 34.13 34.45 1nee s GLU 26 CO -0.07 -0.39 0.37 0.08 0.02 0.00 0.00 175.26 175.27 1nee s VAL 27 N 2.64 -0.58 0.12 2.63 1.01 -1.26 -5.10 120.40 119.86 1nee s VAL 27 Ca 0.04 0.08 -0.35 0.00 0.00 0.00 0.00 61.98 61.75 1nee s VAL 27 Cb -0.13 -0.69 -0.14 0.00 0.00 0.00 0.00 36.38 35.41 1nee s VAL 27 CO -0.15 -0.01 1.54 -2.65 0.00 0.00 0.00 175.10 173.83 1nee n PRO 28 N 5.37 1.92 0.00 2.72 -0.02 -1.26 -4.07 135.00 139.66 1nee n PRO 28 Ca -0.06 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1nee n PRO 28 Cb 0.50 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.42 0.00 -3.06 -0.52 3.00 -1.26 -4.81 118.16 114.93 1nee n LYS 29 Ca 0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.32 1nee n LYS 29 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.31 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nee n ALA 30 N 1.11 -2.78 -2.32 3.14 0.00 -1.26 -4.99 120.51 113.41 1nee n ALA 30 Ca 0.00 0.77 -0.17 0.00 0.00 0.00 0.00 53.44 54.05 1nee n ALA 30 Cb 0.00 -2.80 -0.10 0.00 0.00 0.00 0.00 19.45 16.55 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 -2.04 1.55 1.17 0.00 1.13 -1.26 -4.54 117.35 113.37 1nee s TYR 31 Ca 0.25 -1.16 -0.18 0.00 -1.41 0.00 0.00 57.07 54.57 1nee s TYR 31 Cb -0.05 -0.92 0.27 0.00 -1.10 0.00 0.00 41.96 40.17 1nee s TYR 31 CO 0.75 -0.30 1.09 -1.12 -2.51 0.00 0.00 175.55 173.47 1nee s SER 32 N -3.32 1.15 -0.02 -0.18 0.01 -1.26 -4.80 113.70 105.28 1nee s SER 32 Ca 0.37 0.78 0.02 0.00 1.31 0.00 0.00 55.95 58.43 1nee s SER 32 Cb 0.08 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.17 1nee s SER 32 CO 0.13 -4.00 -0.08 -0.69 0.41 0.00 0.00 173.24 169.02 1nee s VAL 33 N -2.94 0.65 -0.52 3.43 1.01 -1.26 -4.58 120.40 116.18 1nee s VAL 33 Ca 0.70 -0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 1nee s VAL 33 Cb -0.12 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.72 1nee s VAL 33 CO 0.57 0.20 0.95 -0.63 0.00 0.00 0.00 175.10 176.19 1nee s ILE 34 N 0.09 4.39 -0.50 2.22 1.01 -1.26 -2.92 121.20 124.24 1nee s ILE 34 Ca -0.01 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.14 1nee s ILE 34 Cb -0.06 -4.52 0.13 0.00 0.01 0.00 0.00 42.46 38.02 1nee s ILE 34 CO 0.00 -1.04 0.24 -1.58 0.00 0.00 0.00 174.94 172.56 1nee s GLN 35 N 3.95 1.92 0.00 2.79 0.74 -0.46 -4.93 119.66 123.67 1nee s GLN 35 Ca 0.33 -2.55 0.00 0.00 0.05 0.00 0.00 55.36 53.20 1nee s GLN 35 Cb -0.11 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.69 1nee s GLN 35 CO 0.22 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.28 1nee n GLY 36 N 3.23 0.73 0.84 2.59 0.00 -1.26 -1.84 105.19 109.48 1nee n GLY 36 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 1.82 -0.69 -3.93 1.61 5.15 -1.26 -5.14 115.26 112.81 1nee n ASN 37 Ca 0.00 -1.58 -0.09 0.00 -0.60 0.00 0.00 54.58 52.31 1nee n ASN 37 Cb 0.00 0.21 -0.09 0.00 -0.53 0.00 0.00 39.78 39.37 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 0.65 -0.20 1.20 1.70 -0.76 -3.53 118.95 118.01 1nee s ARG 38 Ca 0.00 -0.87 -0.06 0.00 -0.47 0.00 0.00 55.73 54.34 1nee s ARG 38 Cb 0.00 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 1nee s ARG 38 CO 0.00 -0.17 0.02 0.99 -1.08 0.00 0.00 175.30 175.06 1nee s THR 39 N -3.08 4.19 -1.13 4.99 2.01 -0.32 -1.35 115.64 120.95 1nee s THR 39 Ca -0.01 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1nee s THR 39 Cb 0.02 -2.90 0.27 0.00 0.01 0.00 0.00 72.50 69.90 1nee s THR 39 CO -0.07 0.43 1.30 0.33 -0.69 0.00 0.00 174.62 175.92 1nee n PHE 40 N 4.09 4.36 -1.75 4.92 -0.00 -1.15 -0.14 117.46 127.79 1nee n PHE 40 Ca -0.17 -3.45 -0.42 0.00 -0.00 0.00 0.00 57.45 53.41 1nee n PHE 40 Cb 0.52 -1.67 -0.03 0.00 -0.00 0.00 0.00 39.48 38.30 1nee n PHE 40 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1nee s ILE 41 N -1.22 3.11 -0.07 -2.13 1.09 -0.10 -4.35 121.20 117.53 1nee s ILE 41 Ca 0.33 0.19 0.08 0.00 -1.10 0.00 0.00 60.65 60.14 1nee s ILE 41 Cb -0.04 -3.12 -0.11 0.00 -1.06 0.00 0.00 42.46 38.13 1nee s ILE 41 CO -0.02 -0.01 0.05 0.00 -0.10 0.00 0.00 174.94 174.86 1nee n GLN 42 N 7.27 2.28 -1.81 2.79 10.64 -1.26 -2.40 117.38 134.89 1nee n GLN 42 Ca 0.19 -0.02 -0.30 0.00 -1.83 0.00 0.00 57.00 55.04 1nee n GLN 42 Cb 0.41 -1.21 0.04 0.00 -0.86 0.00 0.00 30.24 28.62 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1nee n ASN 43 N -2.23 6.26 0.05 2.61 4.13 -1.26 -4.78 115.26 120.03 1nee n ASN 43 Ca -0.12 -3.77 0.20 0.00 1.68 0.00 0.00 54.58 52.57 1nee n ASN 43 Cb 0.68 -0.68 0.53 0.00 -1.54 0.00 0.00 39.78 38.77 1nee n ASN 43 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1nee h PHE 44 N 2.27 0.00 0.02 3.10 3.57 -1.96 1.03 116.94 124.97 1nee h PHE 44 Ca 0.47 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.97 1nee h PHE 44 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1nee h PHE 44 CO 1.11 0.00 -0.01 -0.09 -2.23 0.00 0.00 178.31 177.08 1nee h ARG 45 N 0.00 -0.03 -0.06 1.11 9.65 -1.97 -1.54 114.38 121.53 1nee h ARG 45 Ca 0.25 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.93 1nee h ARG 45 Cb 1.86 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 30.46 1nee h ARG 45 CO -0.00 0.65 -0.77 1.49 2.80 0.00 0.00 179.97 184.14 1nee h GLU 46 N -0.95 0.62 -0.43 0.20 4.57 -1.33 -2.48 114.58 114.79 1nee h GLU 46 Ca -0.00 -0.59 -0.04 0.00 -1.18 0.00 0.00 59.36 57.55 1nee h GLU 46 Cb 0.70 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1nee h GLU 46 CO 0.01 1.20 0.13 0.28 -1.18 0.00 0.00 179.01 179.44 1nee h VAL 47 N 0.26 1.22 -0.45 0.32 2.07 0.82 -1.81 116.25 118.69 1nee h VAL 47 Ca -0.08 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1nee h VAL 47 Cb 1.43 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1nee h VAL 47 CO 0.15 0.27 0.03 0.00 0.02 0.00 0.00 177.57 178.04 1nee h ALA 48 N 0.98 1.23 0.15 1.67 0.00 -1.32 -2.10 119.26 119.87 1nee h ALA 48 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nee h ALA 48 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nee h ALA 48 CO -0.00 0.52 -0.07 0.22 0.00 0.00 0.00 179.25 179.91 1nee h ASP 49 N 0.67 -0.18 -0.54 0.00 3.58 -1.25 -1.87 116.42 116.84 1nee h ASP 49 Ca 0.14 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.70 1nee h ASP 49 Cb 0.37 0.05 -0.11 0.00 1.72 0.00 0.00 39.33 41.35 1nee h ASP 49 CO 0.01 -0.03 -0.29 0.00 -2.88 0.00 0.00 179.24 176.05 1nee h ALA 50 N -1.72 0.03 0.00 -0.78 0.00 -1.41 0.28 119.26 115.65 1nee h ALA 50 Ca -0.02 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1nee h ALA 50 Cb 0.16 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1nee h ALA 50 CO 0.03 -0.63 -0.23 1.25 0.00 0.00 0.00 179.25 179.67 1nee h LEU 51 N -0.15 0.00 -6.00 0.00 5.85 -1.52 -3.37 115.31 110.12 1nee h LEU 51 Ca 0.23 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.11 1nee h LEU 51 Cb 0.53 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.36 1nee h LEU 51 CO -0.63 0.23 -0.12 0.20 -0.34 0.00 0.00 178.44 177.79 1nee s ASN 52 N -6.75 -0.84 0.39 1.25 0.01 0.50 -4.69 114.94 104.82 1nee s ASN 52 Ca -0.03 0.16 0.25 0.00 -0.71 0.00 0.00 52.86 52.53 1nee s ASN 52 Cb 0.14 1.56 1.36 0.00 0.41 0.00 0.00 41.25 44.73 1nee s ASN 52 CO 0.68 -0.15 1.52 -1.14 -1.51 0.00 0.00 177.10 176.50 1nee n ARG 53 N 5.26 -0.05 -3.69 -0.60 0.63 0.67 -3.98 116.66 114.91 1nee n ARG 53 Ca 0.06 1.29 -0.36 0.00 -0.92 0.00 0.00 57.85 57.91 1nee n ARG 53 Cb 0.56 -2.40 -0.07 0.00 0.45 0.00 0.00 32.46 31.00 1nee n ARG 53 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1nee s ASP 54 N -4.43 6.41 0.44 6.15 1.47 -1.26 -4.75 116.67 120.70 1nee s ASP 54 Ca -0.08 0.49 0.29 0.00 1.18 0.00 0.00 52.55 54.43 1nee s ASP 54 Cb 0.32 -2.13 1.09 0.00 -0.34 0.00 0.00 42.92 41.85 1nee s ASP 54 CO 0.77 0.25 1.85 1.55 0.68 0.00 0.00 175.17 180.27 1nee h PRO 55 N 5.87 0.00 -0.71 2.11 0.13 -1.86 -3.16 132.00 134.38 1nee h PRO 55 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1nee h PRO 55 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1nee h PRO 55 CO 0.68 0.00 0.21 1.96 -0.23 0.00 0.00 178.00 180.62 1nee h GLN 56 N 0.00 1.10 0.23 0.86 4.20 -1.94 -1.87 115.11 117.70 1nee h GLN 56 Ca 0.00 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1nee h GLN 56 Cb 0.56 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1nee h GLN 56 CO 0.00 0.95 -0.11 1.25 -0.67 0.00 0.00 178.83 180.25 1nee h HIS 57 N 1.06 -0.29 -0.86 2.96 2.76 -1.91 -2.51 115.15 116.35 1nee h HIS 57 Ca 0.23 -0.01 0.23 0.00 -2.20 0.00 0.00 60.37 58.62 1nee h HIS 57 Cb 0.31 0.10 -0.14 0.00 1.55 0.00 0.00 27.41 29.23 1nee h HIS 57 CO 0.02 -0.14 0.16 1.25 -1.30 0.00 0.00 177.93 177.92 1nee h LEU 58 N -1.07 -0.14 -0.23 0.26 6.46 -1.61 0.26 115.31 119.24 1nee h LEU 58 Ca -0.03 0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1nee h LEU 58 Cb 0.28 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1nee h LEU 58 CO 0.05 -0.19 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.59 1nee h LEU 59 N 0.16 0.42 -0.82 2.25 4.07 -1.45 -0.78 115.31 119.15 1nee h LEU 59 Ca 0.53 -0.34 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1nee h LEU 59 Cb 1.05 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.61 1nee h LEU 59 CO -0.69 0.66 0.49 0.11 -1.08 0.00 0.00 178.44 177.93 1nee h LYS 60 N 0.17 0.85 -0.25 1.13 1.57 -0.34 -1.47 116.57 118.22 1nee h LYS 60 Ca 0.06 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1nee h LYS 60 Cb 0.46 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1nee h LYS 60 CO 0.02 0.56 -0.42 0.35 -0.57 0.00 0.00 179.45 179.39 1nee h PHE 61 N 0.87 0.73 0.20 -1.35 3.04 -0.48 -0.90 116.94 119.06 1nee h PHE 61 Ca 0.37 -0.22 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1nee h PHE 61 Cb 0.23 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 1nee h PHE 61 CO -0.05 0.93 -0.22 1.25 -2.02 0.00 0.00 178.31 178.20 1nee h LEU 62 N 0.50 -0.58 -0.70 0.59 5.85 -0.11 -1.79 115.31 119.07 1nee h LEU 62 Ca 0.04 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 1nee h LEU 62 Cb 0.94 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1nee h LEU 62 CO 0.08 -0.32 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.19 1nee h LEU 63 N -0.46 0.19 -1.74 2.25 3.38 -1.42 0.21 115.31 117.72 1nee h LEU 63 Ca 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1nee h LEU 63 Cb 0.43 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1nee h LEU 63 CO -0.06 0.75 -0.02 -0.09 0.09 0.00 0.00 178.44 179.10 1nee h ARG 64 N 0.12 0.13 0.00 1.13 9.65 -0.85 -3.02 114.38 121.55 1nee h ARG 64 Ca -0.01 -0.02 -0.34 0.00 -1.10 0.00 0.00 59.98 58.51 1nee h ARG 64 Cb 1.09 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.58 1nee h ARG 64 CO 0.09 0.17 -2.29 0.39 2.80 0.00 0.00 179.97 181.12 1nee n GLU 65 N -4.43 0.90 -1.55 0.20 -0.58 -0.70 -4.86 120.64 109.62 1nee n GLU 65 Ca -0.01 0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.53 1nee n GLU 65 Cb 0.15 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.47 1nee n GLU 65 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nee n LEU 66 N -2.77 1.56 0.00 -4.62 4.32 0.73 -4.16 117.00 112.06 1nee n LEU 66 Ca -0.32 -1.11 0.12 0.00 -0.02 0.00 0.00 56.01 54.67 1nee n LEU 66 Cb 1.08 -1.51 0.70 0.00 -1.62 0.00 0.00 43.42 42.07 1nee n LEU 66 CO 0.37 -2.21 0.90 0.61 -1.22 0.00 0.00 177.39 175.85 1nee n GLY 67 N 6.49 -0.83 3.78 -0.72 0.00 -1.26 -4.79 105.19 107.87 1nee n GLY 67 Ca 0.47 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.11 2.40 0.04 2.61 -4.23 -1.25 -5.01 115.64 108.07 1nee s THR 68 Ca 0.34 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1nee s THR 68 Cb 0.17 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 71.02 1nee s THR 68 CO 0.30 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.71 1nee n ALA 69 N -1.34 -0.12 -1.53 3.99 0.00 -1.26 -4.82 120.51 115.43 1nee n ALA 69 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 1nee n ALA 69 Cb 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.06 -2.94 3.74 0.00 0.00 -1.23 -5.04 105.19 98.66 1nee n GLY 70 Ca 0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 1nee n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nee s ASN 71 N -0.03 -0.28 -0.30 1.61 3.84 -1.26 -4.95 114.94 113.57 1nee s ASN 71 Ca -0.00 -0.42 -0.20 0.00 0.21 0.00 0.00 52.86 52.44 1nee s ASN 71 Cb 0.00 0.61 -0.01 0.00 -0.55 0.00 0.00 41.25 41.30 1nee s ASN 71 CO 0.02 -1.10 0.64 -1.48 -2.79 0.00 0.00 177.10 172.39 1nee s LEU 72 N -2.87 4.14 0.14 3.21 0.05 -1.26 -3.37 118.68 118.71 1nee s LEU 72 Ca 0.10 0.46 0.04 0.00 0.05 0.00 0.00 54.13 54.77 1nee s LEU 72 Cb -0.03 -2.83 -0.04 0.00 -2.05 0.00 0.00 46.19 41.24 1nee s LEU 72 CO 0.02 -0.48 0.17 -1.61 -0.55 0.00 0.00 176.35 173.90 1nee s GLU 73 N 2.62 3.07 0.36 1.48 0.41 -0.43 -4.81 118.70 121.40 1nee s GLU 73 Ca 0.26 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 54.08 1nee s GLU 73 Cb -0.15 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1nee s GLU 73 CO 0.12 0.52 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 1nee n GLY 74 N -0.19 -1.98 0.34 -1.39 0.00 -1.26 -2.46 105.19 98.24 1nee n GLY 74 Ca -0.08 -0.99 0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.27 0.00 0.00 -0.02 0.00 -2.02 -3.42 103.07 96.33 1nee h GLY 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1nee h GLY 75 CO 0.02 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.43 1nee n ARG 76 N -3.13 2.63 -3.22 4.80 0.63 -1.24 -5.03 116.66 112.10 1nee n ARG 76 Ca -0.02 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.53 1nee n ARG 76 Cb 0.17 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.05 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nee n ALA 77 N -3.00 4.66 -2.96 5.13 0.00 -1.01 -4.22 120.51 119.10 1nee n ALA 77 Ca 0.00 -4.77 -0.44 0.00 0.00 0.00 0.00 53.44 48.23 1nee n ALA 77 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 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 -2.47 4.82 0.87 0.00 1.01 -1.03 -0.92 121.20 123.48 1nee s ILE 78 Ca 0.33 -1.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.17 1nee s ILE 78 Cb 0.06 -4.76 0.18 0.00 0.01 0.00 0.00 42.46 37.94 1nee s ILE 78 CO 0.04 -1.47 1.20 -1.48 0.00 0.00 0.00 174.94 173.22 1nee s LEU 79 N 2.41 2.82 -0.08 2.97 0.05 0.81 -1.32 118.68 126.34 1nee s LEU 79 Ca 0.32 -0.04 -0.03 0.00 0.05 0.00 0.00 54.13 54.43 1nee s LEU 79 Cb -0.05 -2.09 0.04 0.00 -2.05 0.00 0.00 46.19 42.04 1nee s LEU 79 CO -0.09 -2.43 0.09 0.00 -0.55 0.00 0.00 176.35 173.37 1nee s GLN 80 N -5.60 -0.02 0.00 1.48 -2.07 -1.26 -1.17 119.66 111.01 1nee s GLN 80 Ca 0.72 0.35 0.00 0.00 -1.82 0.00 0.00 55.36 54.61 1nee s GLN 80 Cb -0.04 -0.67 0.00 0.00 -1.09 0.00 0.00 33.01 31.21 1nee s GLN 80 CO 0.50 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.49 1nee n GLY 81 N 5.30 -0.24 0.46 2.60 0.00 -1.23 -3.48 105.19 108.61 1nee n GLY 81 Ca -0.04 0.58 0.01 0.00 0.00 0.00 0.00 46.02 46.56 1nee n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nee n LYS 82 N 0.00 0.09 -1.40 1.61 3.00 -1.26 -4.71 118.16 115.49 1nee n LYS 82 Ca 0.00 -1.10 -0.29 0.00 -0.00 0.00 0.00 58.31 56.92 1nee n LYS 82 Cb 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 35.03 34.47 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1nee n PHE 83 N -0.10 2.21 -1.57 5.64 3.01 -1.26 -4.75 117.46 120.64 1nee n PHE 83 Ca 0.01 -2.25 -0.42 0.00 1.01 0.00 0.00 57.45 55.80 1nee n PHE 83 Cb 0.69 -1.25 -0.03 0.00 -0.01 0.00 0.00 39.48 38.88 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 0.08 2.68 -3.80 4.37 -2.24 -1.26 -4.34 114.28 109.76 1nee n THR 84 Ca 0.48 -2.41 -0.28 0.00 -2.27 0.00 0.00 64.05 59.57 1nee n THR 84 Cb 0.51 -2.43 -0.04 0.00 -2.10 0.00 0.00 70.33 66.27 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nee n HIS 85 N 7.48 -1.55 0.00 4.78 1.44 -1.26 -4.84 115.22 121.27 1nee n HIS 85 Ca 0.50 0.50 0.00 0.00 -2.01 0.00 0.00 57.72 56.72 1nee n HIS 85 Cb 0.41 -2.04 0.00 0.00 0.12 0.00 0.00 29.99 28.48 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1nee n PHE 86 N -3.73 0.00 0.15 -1.40 3.01 -1.26 -3.82 117.46 110.41 1nee n PHE 86 Ca 0.06 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.54 1nee n PHE 86 Cb 0.49 -0.04 0.38 0.00 -0.01 0.00 0.00 39.48 40.29 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 0.14 0.70 4.37 -0.00 -1.88 -2.66 115.31 115.97 1nee h LEU 87 Ca 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1nee h LEU 87 Cb 0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1nee h LEU 87 CO 0.00 0.38 -0.33 0.40 -0.00 0.00 0.00 178.44 178.89 1nee h ILE 88 N 0.13 0.00 -0.68 1.22 2.04 -1.91 -2.75 117.51 115.57 1nee h ILE 88 Ca 0.02 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1nee h ILE 88 Cb 0.49 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1nee h ILE 88 CO 0.03 0.00 0.37 -1.13 0.00 0.00 0.00 178.15 177.42 1nee h ASN 89 N -1.08 0.52 0.16 1.72 -0.00 -1.65 -1.18 115.58 114.07 1nee h ASN 89 Ca -0.10 0.04 0.02 0.00 -0.00 0.00 0.00 56.30 56.26 1nee h ASN 89 Cb 0.72 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.94 1nee h ASN 89 CO 0.16 0.33 -0.38 -0.08 -0.00 0.00 0.00 177.43 177.46 1nee h GLU 90 N 0.66 -0.61 -0.51 6.67 4.81 -1.52 0.83 114.58 124.92 1nee h GLU 90 Ca 0.31 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1nee h GLU 90 Cb 0.24 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1nee h GLU 90 CO -0.21 -0.40 0.33 -0.09 -0.73 0.00 0.00 179.01 177.91 1nee h ARG 91 N -0.63 0.66 0.19 1.92 9.65 -1.29 -1.50 114.38 123.38 1nee h ARG 91 Ca 0.02 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1nee h ARG 91 Cb 0.64 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1nee h ARG 91 CO -0.20 0.43 -0.42 0.82 2.80 0.00 0.00 179.97 183.41 1nee h ILE 92 N 0.68 0.16 -0.18 1.20 2.04 -0.80 -1.00 117.51 119.60 1nee h ILE 92 Ca 0.19 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.10 1nee h ILE 92 Cb -0.07 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1nee h ILE 92 CO -0.05 0.00 0.13 -0.08 0.00 0.00 0.00 178.15 178.16 1nee h GLU 93 N -0.70 0.00 0.03 2.37 4.81 -0.70 0.34 114.58 120.72 1nee h GLU 93 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1nee h GLU 93 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1nee h GLU 93 CO -0.20 0.00 -0.01 -0.44 -0.73 0.00 0.00 179.01 177.63 1nee h ASP 94 N 0.00 -0.03 0.00 1.04 5.19 -0.11 -0.33 116.42 122.17 1nee h ASP 94 Ca 0.08 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1nee h ASP 94 Cb 0.35 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1nee h ASP 94 CO -0.00 0.08 -0.35 0.22 -3.12 0.00 0.00 179.24 176.07 1nee h TYR 95 N -0.14 0.00 -0.78 4.55 5.03 -0.83 -2.97 116.97 121.84 1nee h TYR 95 Ca -0.00 0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.43 1nee h TYR 95 Cb 0.13 0.00 -0.09 0.00 1.55 0.00 0.00 36.73 38.32 1nee h TYR 95 CO -0.04 0.06 0.38 0.28 -1.32 0.00 0.00 178.16 177.51 1nee h VAL 96 N -1.00 0.76 -1.71 1.81 2.07 -0.50 -2.13 116.25 115.56 1nee h VAL 96 Ca -0.01 -0.20 -0.68 0.00 0.82 0.00 0.00 66.70 66.64 1nee h VAL 96 Cb 0.36 0.13 -0.35 0.00 -1.52 0.00 0.00 31.29 29.91 1nee h VAL 96 CO -0.01 0.11 0.15 0.59 0.02 0.00 0.00 177.57 178.43 1nee n ASN 97 N -4.89 6.11 0.01 0.57 4.13 -0.14 -4.66 115.26 116.39 1nee n ASN 97 Ca 0.14 -3.78 0.14 0.00 1.68 0.00 0.00 54.58 52.76 1nee n ASN 97 Cb 0.37 -0.75 0.57 0.00 -1.54 0.00 0.00 39.78 38.43 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1nee n LYS 98 N -0.52 0.02 0.02 3.52 0.00 -0.80 -2.70 118.16 117.70 1nee n LYS 98 Ca 0.47 0.01 -0.11 0.00 -0.00 0.00 0.00 58.31 58.68 1nee n LYS 98 Cb 0.47 -1.52 -0.09 0.00 -0.00 0.00 0.00 35.03 33.89 1nee n LYS 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1nee h PHE 99 N 0.00 -0.14 0.00 5.58 -0.00 -1.84 0.25 116.94 120.80 1nee h PHE 99 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1nee h PHE 99 Cb 0.52 0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.51 1nee h PHE 99 CO 0.00 0.37 -0.27 0.28 -0.00 0.00 0.00 178.31 178.69 1nee h VAL 100 N -0.81 0.00 0.01 0.88 2.07 -1.96 1.08 116.25 117.52 1nee h VAL 100 Ca -0.01 -0.77 -0.32 0.00 0.82 0.00 0.00 66.70 66.41 1nee h VAL 100 Cb 0.57 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1nee h VAL 100 CO 0.02 0.00 -1.77 -0.38 0.02 0.00 0.00 177.57 175.46 1nee n ILE 101 N -2.63 1.55 1.12 4.57 -0.00 -1.10 -4.27 119.36 118.61 1nee n ILE 101 Ca 0.04 -0.20 0.03 0.00 -0.00 0.00 0.00 62.75 62.62 1nee n ILE 101 Cb 0.49 -1.95 0.10 0.00 -0.00 0.00 0.00 39.64 38.29 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 0.17 -2.34 -3.39 0.00 8.25 -1.08 -3.71 115.22 113.11 1nee n HIS 103 Ca 0.08 0.93 -0.23 0.00 -0.26 0.00 0.00 57.72 58.24 1nee n HIS 103 Cb 0.25 -4.97 0.02 0.00 1.12 0.00 0.00 29.99 26.41 1nee n HIS 103 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1nee n GLU 104 N -4.30 -1.82 -0.80 -0.41 2.13 0.37 -4.74 120.64 111.07 1nee n GLU 104 Ca -0.19 1.38 -0.17 0.00 0.66 0.00 0.00 57.16 58.85 1nee n GLU 104 Cb 0.63 -3.40 -0.07 0.00 0.27 0.00 0.00 31.44 28.87 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nee n ASN 106 N 3.28 0.00 -2.97 0.00 5.15 -1.26 -4.66 115.26 114.80 1nee n ASN 106 Ca 0.42 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 54.05 1nee n ASN 106 Cb 0.42 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.68 1nee n ASN 106 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1nee n ARG 107 N 0.00 3.59 -1.61 1.20 -4.01 -1.26 -5.06 116.66 109.50 1nee n ARG 107 Ca 0.00 -4.23 -0.44 0.00 -1.04 0.00 0.00 57.85 52.15 1nee n ARG 107 Cb 0.00 -2.30 -0.01 0.00 -3.04 0.00 0.00 32.46 27.10 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 1nee n PRO 108 N -0.38 1.52 -0.28 2.89 -0.02 -1.26 -4.84 135.00 132.64 1nee n PRO 108 Ca 0.45 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 62.44 1nee n PRO 108 Cb 0.37 -1.96 0.07 0.00 -0.02 0.00 0.00 33.50 31.97 1nee n PRO 108 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nee n ASP 109 N 1.09 2.74 -4.77 2.55 -0.08 -1.26 -4.84 116.55 111.98 1nee n ASP 109 Ca 0.08 -2.33 -0.30 0.00 -1.51 0.00 0.00 54.79 50.73 1nee n ASP 109 Cb 0.33 -0.57 -0.06 0.00 2.34 0.00 0.00 41.12 43.16 1nee n ASP 109 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1nee s THR 110 N -1.12 1.49 -0.69 5.18 -1.32 -1.26 -5.08 115.64 112.84 1nee s THR 110 Ca 0.14 -1.86 -0.22 0.00 -1.21 0.00 0.00 61.69 58.55 1nee s THR 110 Cb 0.12 -2.35 0.08 0.00 -1.51 0.00 0.00 72.50 68.84 1nee s THR 110 CO 0.03 0.00 0.96 -0.13 -2.21 0.00 0.00 174.62 173.27 1nee s ARG 111 N -3.95 3.16 -0.14 7.08 1.81 -1.26 -5.02 118.95 120.64 1nee s ARG 111 Ca 0.19 -0.99 -0.06 0.00 -1.72 0.00 0.00 55.73 53.15 1nee s ARG 111 Cb 0.02 -4.32 -0.04 0.00 -0.45 0.00 0.00 34.95 30.16 1nee s ARG 111 CO 0.11 -1.79 0.08 0.42 -0.68 0.00 0.00 175.30 173.44 1nee s ILE 112 N 3.78 4.99 -0.01 1.52 -1.09 -1.26 -4.82 121.20 124.31 1nee s ILE 112 Ca 0.22 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1nee s ILE 112 Cb -0.16 -3.19 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1nee s ILE 112 CO 0.07 0.55 0.00 0.27 -1.23 0.00 0.00 174.94 174.61 1nee s ILE 113 N -0.44 0.03 -0.09 2.92 -5.25 -1.26 -4.98 121.20 112.12 1nee s ILE 113 Ca 0.10 0.03 0.03 0.00 -0.99 0.00 0.00 60.65 59.82 1nee s ILE 113 Cb -0.12 -0.07 0.01 0.00 2.95 0.00 0.00 42.46 45.23 1nee s ILE 113 CO 0.02 0.04 -0.19 -0.60 -1.79 0.00 0.00 174.94 172.41 1nee s ARG 114 N 0.26 2.57 0.06 0.37 3.52 -1.25 -2.09 118.95 122.39 1nee s ARG 114 Ca -0.02 -0.71 0.06 0.00 -0.13 0.00 0.00 55.73 54.93 1nee s ARG 114 Cb -0.04 -2.01 -0.03 0.00 -1.56 0.00 0.00 34.95 31.32 1nee s ARG 114 CO -0.01 0.09 -0.17 -1.83 -0.81 0.00 0.00 175.30 172.58 1nee s GLU 115 N 0.54 1.00 0.00 5.12 -1.05 -0.70 -4.83 118.70 118.79 1nee s GLU 115 Ca -0.15 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 53.72 1nee s GLU 115 Cb -0.17 -1.09 0.00 0.00 -0.44 0.00 0.00 34.13 32.43 1nee s GLU 115 CO 0.05 0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.93 1nee n GLY 116 N 1.50 0.58 3.57 -3.83 0.00 -1.26 -1.60 105.19 104.14 1nee n GLY 116 Ca -0.19 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.35 -1.58 -3.56 1.61 3.00 -1.26 -3.25 116.66 111.27 1nee n ARG 117 Ca 0.00 1.05 -0.19 0.00 -0.00 0.00 0.00 57.85 58.71 1nee n ARG 117 Cb 0.20 -3.10 0.00 0.00 0.00 0.00 0.00 32.46 29.55 1nee n ARG 117 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1nee n ILE 118 N -2.06 -5.36 0.00 5.15 3.06 -1.26 -4.90 119.36 113.99 1nee n ILE 118 Ca -0.21 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 1nee n ILE 118 Cb 0.65 -4.13 0.00 0.00 0.54 0.00 0.00 39.64 36.69 1nee n ILE 118 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1nee n SER 119 N -2.14 0.00 -4.35 9.51 7.64 -1.20 -5.04 113.62 118.04 1nee n SER 119 Ca -0.21 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.45 1nee n SER 119 Cb 0.64 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.73 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nee s LEU 120 N -0.91 2.46 -0.19 -3.43 2.01 -0.63 -4.99 118.68 113.01 1nee s LEU 120 Ca 0.00 -0.89 -0.30 0.00 0.01 0.00 0.00 54.13 52.94 1nee s LEU 120 Cb 0.00 -0.85 0.15 0.00 0.01 0.00 0.00 46.19 45.50 1nee s LEU 120 CO 0.00 -0.04 1.12 -1.48 1.01 0.00 0.00 176.35 176.96 1nee s LEU 121 N -2.81 -0.24 -0.02 1.79 2.34 -0.98 -1.72 118.68 117.04 1nee s LEU 121 Ca 0.18 0.22 0.01 0.00 0.06 0.00 0.00 54.13 54.60 1nee s LEU 121 Cb -0.05 1.59 -0.03 0.00 -0.56 0.00 0.00 46.19 47.13 1nee s LEU 121 CO 0.07 -0.26 -0.02 -0.54 -1.06 0.00 0.00 176.35 174.54 1nee s LYS 122 N -1.41 2.77 -0.41 1.48 1.02 -0.89 -2.54 119.74 119.76 1nee s LYS 122 Ca 0.03 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.50 1nee s LYS 122 Cb -0.01 -2.65 0.22 0.00 -0.52 0.00 0.00 37.83 34.88 1nee s LYS 122 CO -0.03 0.64 0.51 0.00 -0.92 0.00 0.00 175.35 175.56 1nee h GLU 124 N 4.56 0.00 0.02 0.00 4.22 -1.88 -0.92 114.58 120.58 1nee h GLU 124 Ca 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 1nee h GLU 124 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1nee h GLU 124 CO 0.39 0.49 -0.01 0.00 -2.18 0.00 0.00 179.01 177.71 1nee h ALA 125 N 1.51 -0.18 0.00 2.92 0.00 -1.94 -3.36 119.26 118.21 1nee h ALA 125 Ca -0.00 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 1nee h ALA 125 Cb 0.99 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1nee h ALA 125 CO 0.06 -0.17 2.75 0.00 0.00 0.00 0.00 179.25 181.89 1nee n GLY 127 N 3.35 1.24 3.34 0.00 0.00 -1.24 -4.78 105.19 107.10 1nee n GLY 127 Ca 0.66 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.86 -1.14 0.05 4.61 0.00 -0.35 -4.12 121.76 118.96 1nee s ALA 128 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1nee s ALA 128 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1nee s ALA 128 CO 0.00 -0.30 -0.06 0.21 0.00 0.00 0.00 175.76 175.61 1nee s LYS 129 N -1.25 0.56 -0.68 0.00 2.47 -1.24 -4.67 119.74 114.91 1nee s LYS 129 Ca -0.12 -0.90 -0.26 0.00 -1.56 0.00 0.00 55.97 53.13 1nee s LYS 129 Cb -0.03 -0.14 0.04 0.00 -1.46 0.00 0.00 37.83 36.24 1nee s LYS 129 CO 0.06 -0.00 1.17 0.00 0.16 0.00 0.00 175.35 176.74 1nee s ALA 130 N -2.13 2.90 0.08 3.13 0.00 -1.05 -4.37 121.76 120.32 1nee s ALA 130 Ca -0.05 -1.39 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 1nee s ALA 130 Cb -0.05 -4.10 -0.11 0.00 0.00 0.00 0.00 23.12 18.86 1nee s ALA 130 CO -0.02 -3.02 1.39 -1.00 0.00 0.00 0.00 175.76 173.11 1nee h PRO 131 N 9.80 0.58 -0.35 0.00 0.13 -1.93 -2.59 132.00 137.64 1nee h PRO 131 Ca -0.28 -0.31 0.24 0.00 -0.87 0.00 0.00 66.00 64.78 1nee h PRO 131 Cb 1.06 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.95 1nee h PRO 131 CO 1.23 0.91 0.36 -0.48 -0.23 0.00 0.00 178.00 179.79 1nee s LEU 132 N -9.01 -0.25 0.49 1.56 2.34 -1.26 -4.32 118.68 108.22 1nee s LEU 132 Ca -0.13 0.28 0.07 0.00 0.06 0.00 0.00 54.13 54.41 1nee s LEU 132 Cb 0.07 1.26 0.02 0.00 -0.56 0.00 0.00 46.19 46.98 1nee s LEU 132 CO 0.80 -0.05 0.44 -0.54 -1.06 0.00 0.00 176.35 175.94 1nee s LYS 133 N 2.43 2.38 0.03 1.48 1.02 -1.26 -5.07 119.74 120.75 1nee s LYS 133 Ca -0.02 -1.75 -0.30 0.00 0.02 0.00 0.00 55.97 53.91 1nee s LYS 133 Cb -0.05 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.92 1nee s LYS 133 CO -0.14 -0.45 1.40 1.21 -0.92 0.00 0.00 175.35 176.45 1nee s ASN 134 N -4.25 6.84 0.00 2.83 3.84 -1.26 -5.27 114.94 117.67 1nee s ASN 134 Ca 0.44 2.16 0.13 0.00 0.21 0.00 0.00 52.86 55.80 1nee s ASN 134 Cb -0.03 -2.57 0.10 0.00 -0.55 0.00 0.00 41.25 38.21 1nee s ASN 134 CO 0.26 -0.71 0.91 0.55 -2.79 0.00 0.00 177.10 175.32