#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 2.14 -4.79 6.12 8.00 -1.26 -5.09 116.55 121.67 1nee n ASP 2 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1nee n ASP 2 Cb 0.00 0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.20 1nee n ASP 2 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nee s ASP 3 N -3.43 4.72 -0.33 -2.24 -1.08 -1.26 -5.01 116.67 108.04 1nee s ASP 3 Ca 0.00 1.64 0.16 0.00 -0.52 0.00 0.00 52.55 53.84 1nee s ASP 3 Cb 0.00 -2.41 0.46 0.00 -1.46 0.00 0.00 42.92 39.50 1nee s ASP 3 CO 0.00 -1.87 0.99 -1.22 0.52 0.00 0.00 175.17 173.59 1nee n TYR 4 N -3.40 1.54 -0.59 -5.34 4.01 -1.26 -5.10 117.16 107.01 1nee n TYR 4 Ca 0.08 -2.79 0.00 0.00 -0.16 0.00 0.00 57.90 55.03 1nee n TYR 4 Cb 0.54 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1nee n TYR 4 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1nee n GLU 5 N -0.17 -0.34 -3.45 -0.72 -0.58 -1.26 -5.01 120.64 109.11 1nee n GLU 5 Ca 0.14 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.49 1nee n GLU 5 Cb 0.80 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.57 1nee n GLU 5 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1nee s LYS 6 N -2.52 3.94 -0.40 3.49 1.02 -1.26 -5.01 119.74 119.00 1nee s LYS 6 Ca 0.00 -0.12 -0.27 0.00 0.02 0.00 0.00 55.97 55.60 1nee s LYS 6 Cb 0.00 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1nee s LYS 6 CO 0.00 -0.28 2.22 -0.51 -0.92 0.00 0.00 175.35 175.87 1nee s LEU 7 N 1.97 3.41 0.05 3.17 1.43 -1.26 -4.95 118.68 122.50 1nee s LEU 7 Ca 0.12 1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 54.41 1nee s LEU 7 Cb -0.16 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 1nee s LEU 7 CO 0.10 -2.41 0.35 -0.22 0.23 0.00 0.00 176.35 174.41 1nee s LEU 8 N 10.06 4.36 0.00 1.79 2.96 -1.26 -4.98 118.68 131.62 1nee s LEU 8 Ca 0.93 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1nee s LEU 8 Cb -0.22 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.63 1nee s LEU 8 CO 0.29 0.21 0.34 -0.62 -1.32 0.00 0.00 176.35 175.25 1nee n GLU 9 N 1.04 -0.21 -2.90 1.98 4.71 -1.26 -4.71 120.64 119.29 1nee n GLU 9 Ca -0.10 -0.38 -0.43 0.00 -0.01 0.00 0.00 57.16 56.25 1nee n GLU 9 Cb 0.52 -0.76 -0.05 0.00 -1.01 0.00 0.00 31.44 30.15 1nee n GLU 9 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1nee s ARG 10 N -0.08 3.32 -0.12 3.49 6.06 -1.26 -4.44 118.95 125.92 1nee s ARG 10 Ca 0.00 -0.30 -0.03 0.00 -2.50 0.00 0.00 55.73 52.89 1nee s ARG 10 Cb 0.00 -4.04 0.00 0.00 0.06 0.00 0.00 34.95 30.98 1nee s ARG 10 CO 0.00 -1.39 0.13 0.00 -2.50 0.00 0.00 175.30 171.54 1nee n ALA 11 N 7.18 -3.04 -2.02 6.12 0.00 -1.26 -5.09 120.51 122.38 1nee n ALA 11 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1nee n ALA 11 Cb 0.47 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1nee n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nee n ILE 12 N -0.27 0.00 0.06 0.00 5.41 -1.26 -4.70 119.36 118.60 1nee n ILE 12 Ca 0.03 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.66 1nee n ILE 12 Cb 0.10 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.95 1nee n ILE 12 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1nee h ASP 13 N 0.00 -0.18 0.00 4.38 2.03 -1.97 -3.43 116.42 117.25 1nee h ASP 13 Ca 0.00 -0.36 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1nee h ASP 13 Cb 0.00 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1nee h ASP 13 CO 0.00 0.34 0.00 0.00 -1.03 0.00 0.00 179.24 178.55 1nee n GLN 14 N -4.94 0.00 -1.26 4.15 1.13 -1.26 -5.06 117.38 110.14 1nee n GLN 14 Ca -0.08 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.15 1nee n GLN 14 Cb 0.27 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.57 1nee n GLN 14 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1nee n LEU 15 N 0.00 -0.67 -4.70 1.08 7.99 -1.26 -4.70 117.00 114.75 1nee n LEU 15 Ca 0.00 1.48 -0.56 0.00 -0.01 0.00 0.00 56.01 56.92 1nee n LEU 15 Cb 0.00 -3.89 -0.07 0.00 -0.11 0.00 0.00 43.42 39.35 1nee n LEU 15 CO 0.00 -3.16 1.30 -0.81 -1.51 0.00 0.00 177.39 173.21 1nee n PRO 16 N -3.91 1.24 0.00 3.23 -0.04 -1.26 -4.97 135.00 129.30 1nee n PRO 16 Ca -0.01 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1nee n PRO 16 Cb 0.58 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1nee n PRO 16 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nee n PRO 17 N 5.21 1.52 0.00 0.54 -0.04 -1.26 -4.40 135.00 136.57 1nee n PRO 17 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1nee n PRO 17 Cb 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 1nee n PRO 17 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nee n GLU 18 N 0.00 0.00 -2.64 0.54 1.02 -1.26 -4.74 120.64 113.56 1nee n GLU 18 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1nee n GLU 18 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1nee n GLU 18 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1nee s VAL 19 N 0.00 4.67 0.44 2.62 -7.23 -1.26 -5.04 120.40 114.59 1nee s VAL 19 Ca 0.00 1.93 0.07 0.00 -1.81 0.00 0.00 61.98 62.17 1nee s VAL 19 Cb 0.00 -4.24 -0.01 0.00 0.56 0.00 0.00 36.38 32.69 1nee s VAL 19 CO 0.00 0.07 0.39 0.72 -0.31 0.00 0.00 175.10 175.96 1nee s PHE 20 N 1.59 2.49 0.32 2.82 -0.12 -1.26 -4.95 117.98 118.87 1nee s PHE 20 Ca 0.52 -0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 56.70 1nee s PHE 20 Cb -0.21 -2.12 0.02 0.00 -0.63 0.00 0.00 43.02 40.08 1nee s PHE 20 CO 0.23 -0.19 0.64 -2.00 -0.05 0.00 0.00 175.22 173.85 1nee s GLU 21 N -4.16 1.91 -0.20 1.99 2.56 -1.26 -5.14 118.70 114.39 1nee s GLU 21 Ca 0.46 -1.35 -0.05 0.00 0.00 0.00 0.00 54.97 54.03 1nee s GLU 21 Cb -0.03 0.55 -0.03 0.00 2.00 0.00 0.00 34.13 36.63 1nee s GLU 21 CO 0.27 -0.85 0.01 0.99 -0.56 0.00 0.00 175.26 175.12 1nee s THR 22 N -3.24 4.10 -0.36 -1.70 2.01 -1.26 -4.97 115.64 110.22 1nee s THR 22 Ca 0.19 -0.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 1nee s THR 22 Cb -0.03 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.64 1nee s THR 22 CO 0.11 0.43 1.05 -1.59 -0.69 0.00 0.00 174.62 173.93 1nee s LYS 23 N 0.93 3.96 -0.99 4.92 -2.85 -1.26 -4.98 119.74 119.46 1nee s LYS 23 Ca 0.02 0.87 -0.18 0.00 -1.00 0.00 0.00 55.97 55.67 1nee s LYS 23 Cb -0.14 -3.78 0.13 0.00 -2.06 0.00 0.00 37.83 31.98 1nee s LYS 23 CO 0.02 -0.99 1.22 1.03 0.10 0.00 0.00 175.35 176.73 1nee s ARG 24 N 3.74 3.69 0.24 1.78 1.81 -1.26 -5.01 118.95 123.93 1nee s ARG 24 Ca 0.44 -1.85 -0.29 0.00 -1.72 0.00 0.00 55.73 52.31 1nee s ARG 24 Cb -0.11 -5.00 -0.09 0.00 -0.45 0.00 0.00 34.95 29.30 1nee s ARG 24 CO 0.19 -1.82 0.92 -0.06 -0.68 0.00 0.00 175.30 173.84 1nee s PHE 25 N 2.73 3.96 -0.07 -0.53 0.08 -1.26 -4.67 117.98 118.21 1nee s PHE 25 Ca 0.36 1.87 -0.02 0.00 0.12 0.00 0.00 56.93 59.26 1nee s PHE 25 Cb -0.04 -2.95 0.03 0.00 -0.57 0.00 0.00 43.02 39.50 1nee s PHE 25 CO -0.08 0.45 0.04 -1.21 -0.10 0.00 0.00 175.22 174.32 1nee s GLU 26 N -1.25 0.21 -0.37 0.44 0.41 -1.26 -4.81 118.70 112.08 1nee s GLU 26 Ca 0.41 0.20 0.04 0.00 -0.41 0.00 0.00 54.97 55.20 1nee s GLU 26 Cb -0.25 -0.89 0.16 0.00 -1.78 0.00 0.00 34.13 31.37 1nee s GLU 26 CO 0.31 -0.37 0.43 0.08 -0.49 0.00 0.00 175.26 175.21 1nee s VAL 27 N 2.08 -0.50 0.00 2.63 1.01 -1.26 -5.04 120.40 119.32 1nee s VAL 27 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1nee s VAL 27 Cb -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1nee s VAL 27 CO -0.05 -0.43 0.45 -2.65 0.00 0.00 0.00 175.10 172.41 1nee n PRO 28 N 4.43 0.00 0.00 2.72 -0.02 -1.26 -4.76 135.00 136.11 1nee n PRO 28 Ca 0.10 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1nee n PRO 28 Cb 0.48 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 1nee n PRO 28 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nee n LYS 29 N -0.55 0.00 -3.28 -0.52 5.02 -1.26 -5.02 118.16 112.56 1nee n LYS 29 Ca 0.00 0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.20 1nee n LYS 29 Cb 0.00 -0.48 0.07 0.00 -0.02 0.00 0.00 35.03 34.60 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nee n ALA 30 N -2.14 -1.32 -3.46 7.82 0.00 -1.26 -5.02 120.51 115.13 1nee n ALA 30 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 1nee n ALA 30 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 19.45 15.95 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 -3.27 -0.57 0.95 0.00 1.13 -1.26 -4.77 117.35 109.55 1nee s TYR 31 Ca 0.26 1.24 -0.15 0.00 -1.41 0.00 0.00 57.07 57.01 1nee s TYR 31 Cb -0.11 0.25 0.20 0.00 -1.10 0.00 0.00 41.96 41.20 1nee s TYR 31 CO 0.59 -0.40 1.31 -1.12 -2.51 0.00 0.00 175.55 173.41 1nee s SER 32 N -0.35 3.15 -0.09 -0.18 0.01 -1.26 -4.74 113.70 110.23 1nee s SER 32 Ca -0.05 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1nee s SER 32 Cb -0.03 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1nee s SER 32 CO 0.04 -2.71 -0.13 -0.69 0.41 0.00 0.00 173.24 170.17 1nee s VAL 33 N -3.85 1.26 0.25 3.43 1.01 -1.25 -4.74 120.40 116.52 1nee s VAL 33 Ca 0.74 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1nee s VAL 33 Cb -0.04 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 35.08 1nee s VAL 33 CO 0.53 0.39 1.16 -0.51 0.00 0.00 0.00 175.10 176.67 1nee s ILE 34 N 0.98 3.40 -0.33 2.22 1.10 -1.26 -2.10 121.20 125.21 1nee s ILE 34 Ca -0.08 1.32 0.05 0.00 -0.51 0.00 0.00 60.65 61.43 1nee s ILE 34 Cb -0.15 -3.84 0.17 0.00 0.15 0.00 0.00 42.46 38.79 1nee s ILE 34 CO -0.01 0.28 0.50 -1.10 -2.11 0.00 0.00 174.94 172.50 1nee s GLN 35 N -1.07 0.59 0.00 3.50 -1.52 -1.00 -4.98 119.66 115.18 1nee s GLN 35 Ca 0.48 -0.05 0.00 0.00 -1.95 0.00 0.00 55.36 53.84 1nee s GLN 35 Cb -0.33 -0.16 0.00 0.00 -0.22 0.00 0.00 33.01 32.30 1nee s GLN 35 CO 0.41 -1.11 0.00 0.41 -0.25 0.00 0.00 175.29 174.76 1nee n GLY 36 N 4.94 0.48 1.14 3.09 0.00 -1.26 -1.32 105.19 112.26 1nee n GLY 36 Ca 0.06 0.55 -0.04 0.00 0.00 0.00 0.00 46.02 46.60 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 1.38 -0.40 -4.07 1.61 5.15 -1.26 -5.12 115.26 112.54 1nee n ASN 37 Ca 0.00 -1.99 -0.10 0.00 -0.60 0.00 0.00 54.58 51.89 1nee n ASN 37 Cb 0.00 0.12 -0.11 0.00 -0.53 0.00 0.00 39.78 39.26 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 0.57 -0.19 1.20 3.03 -0.43 -2.42 118.95 120.70 1nee s ARG 38 Ca 0.10 -0.98 -0.06 0.00 2.03 0.00 0.00 55.73 56.82 1nee s ARG 38 Cb 0.11 -0.03 -0.03 0.00 -1.03 0.00 0.00 34.95 33.97 1nee s ARG 38 CO -0.05 -0.03 0.02 -0.08 -1.13 0.00 0.00 175.30 174.03 1nee s THR 39 N -2.61 4.27 -1.13 4.99 -1.32 -0.28 -2.39 115.64 117.17 1nee s THR 39 Ca -0.02 -0.21 -0.10 0.00 -1.21 0.00 0.00 61.69 60.15 1nee s THR 39 Cb -0.02 -2.92 0.25 0.00 -1.51 0.00 0.00 72.50 68.30 1nee s THR 39 CO -0.04 0.44 1.18 -0.36 -2.21 0.00 0.00 174.62 173.63 1nee s PHE 40 N 0.75 4.09 -0.01 9.09 0.40 -0.89 -0.64 117.98 130.77 1nee s PHE 40 Ca 0.01 -2.56 -0.30 0.00 -0.60 0.00 0.00 56.93 53.49 1nee s PHE 40 Cb -0.14 -3.95 -0.07 0.00 0.51 0.00 0.00 43.02 39.37 1nee s PHE 40 CO 0.02 -1.06 1.72 0.42 0.70 0.00 0.00 175.22 177.03 1nee s ILE 41 N -0.59 3.36 -0.22 0.64 1.01 -0.94 -3.74 121.20 120.72 1nee s ILE 41 Ca 0.33 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.48 1nee s ILE 41 Cb -0.08 -3.33 -0.13 0.00 0.01 0.00 0.00 42.46 38.93 1nee s ILE 41 CO -0.06 -0.04 -0.22 1.67 0.00 0.00 0.00 174.94 176.29 1nee n GLN 42 N 6.92 0.52 -2.49 2.79 7.27 -1.26 -2.18 117.38 128.96 1nee n GLN 42 Ca 0.18 0.15 -0.33 0.00 0.07 0.00 0.00 57.00 57.06 1nee n GLN 42 Cb 0.42 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.67 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1nee n ASN 43 N -3.36 5.95 -0.33 1.69 5.03 -1.26 -4.84 115.26 118.13 1nee n ASN 43 Ca -0.40 -3.74 0.21 0.00 0.87 0.00 0.00 54.58 51.53 1nee n ASN 43 Cb 0.88 -0.79 0.44 0.00 -1.02 0.00 0.00 39.78 39.29 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 1nee h PHE 44 N 3.14 0.91 0.15 3.10 -0.00 -1.96 1.42 116.94 123.70 1nee h PHE 44 Ca 0.38 0.04 -0.01 0.00 -0.00 0.00 0.00 57.97 58.38 1nee h PHE 44 Cb 0.46 -0.24 0.00 0.00 -0.00 0.00 0.00 35.95 36.17 1nee h PHE 44 CO 1.03 -0.12 -0.07 -0.09 -0.00 0.00 0.00 178.31 179.06 1nee h ARG 45 N 0.38 -0.19 0.24 6.09 2.43 -1.99 -1.37 114.38 119.98 1nee h ARG 45 Ca 0.70 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.87 1nee h ARG 45 Cb 1.52 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1nee h ARG 45 CO -0.58 0.18 -0.12 1.49 -1.51 0.00 0.00 179.97 179.44 1nee h GLU 46 N -0.61 -0.32 -0.85 0.20 4.81 -1.56 -2.84 114.58 113.41 1nee h GLU 46 Ca -0.02 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1nee h GLU 46 Cb 0.46 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1nee h GLU 46 CO 0.03 0.05 0.56 0.28 -0.73 0.00 0.00 179.01 179.20 1nee h VAL 47 N -0.88 0.71 0.42 0.32 2.07 0.17 -2.07 116.25 117.00 1nee h VAL 47 Ca -0.03 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1nee h VAL 47 Cb 0.51 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1nee h VAL 47 CO 0.06 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 177.52 1nee h ALA 48 N 1.62 -0.56 -0.03 1.67 0.00 -1.23 -1.82 119.26 118.91 1nee h ALA 48 Ca 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1nee h ALA 48 Cb 1.08 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1nee h ALA 48 CO -0.15 -0.70 -0.26 0.22 0.00 0.00 0.00 179.25 178.36 1nee h ASP 49 N -0.79 -0.81 -0.48 0.00 1.82 -1.13 0.49 116.42 115.52 1nee h ASP 49 Ca -0.06 0.09 0.10 0.00 -0.39 0.00 0.00 57.03 56.77 1nee h ASP 49 Cb 0.54 0.31 -0.10 0.00 0.68 0.00 0.00 39.33 40.76 1nee h ASP 49 CO 0.09 -0.24 -0.20 0.00 -1.61 0.00 0.00 179.24 177.28 1nee h ALA 50 N -0.94 0.15 0.00 -0.78 0.00 -1.57 0.59 119.26 116.71 1nee h ALA 50 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nee h ALA 50 Cb 0.33 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1nee h ALA 50 CO -0.19 -0.54 0.00 1.25 0.00 0.00 0.00 179.25 179.77 1nee h LEU 51 N -0.10 0.00 0.00 0.00 5.85 -0.93 -3.26 115.31 116.86 1nee h LEU 51 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1nee h LEU 51 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1nee h LEU 51 CO -0.54 0.00 0.00 -3.20 -0.34 0.00 0.00 178.44 174.36 1nee n ASN 52 N -2.50 0.00 0.27 1.25 2.85 0.18 -4.66 115.26 112.65 1nee n ASN 52 Ca 0.00 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.62 1nee n ASN 52 Cb 0.16 0.00 0.71 0.00 1.24 0.00 0.00 39.78 41.89 1nee n ASN 52 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1nee h ARG 53 N 0.00 0.00 -5.38 1.20 9.65 -1.05 -3.29 114.38 115.51 1nee h ARG 53 Ca 0.00 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.28 1nee h ARG 53 Cb 0.00 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.47 1nee h ARG 53 CO 0.00 0.00 -0.32 0.34 2.80 0.00 0.00 179.97 182.79 1nee s ASP 54 N -4.43 6.37 0.05 -3.80 -1.08 -1.26 -4.85 116.67 107.67 1nee s ASP 54 Ca -0.03 0.43 -0.18 0.00 -0.52 0.00 0.00 52.55 52.24 1nee s ASP 54 Cb 0.09 -2.18 -0.15 0.00 -1.46 0.00 0.00 42.92 39.22 1nee s ASP 54 CO 0.31 0.03 1.30 1.55 0.52 0.00 0.00 175.17 178.88 1nee h PRO 55 N 7.09 0.49 -0.25 4.34 0.13 -1.92 -3.13 132.00 138.76 1nee h PRO 55 Ca -0.39 -0.32 0.07 0.00 -0.87 0.00 0.00 66.00 64.49 1nee h PRO 55 Cb 1.16 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1nee h PRO 55 CO 0.72 0.93 0.21 1.96 -0.23 0.00 0.00 178.00 181.60 1nee h GLN 56 N 0.12 0.00 0.45 0.86 1.08 -1.94 -2.64 115.11 113.04 1nee h GLN 56 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1nee h GLN 56 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1nee h GLN 56 CO 0.07 0.00 -0.22 0.45 -0.95 0.00 0.00 178.83 178.18 1nee h HIS 57 N 0.00 -0.56 -0.90 2.96 3.86 -1.92 -2.77 115.15 115.82 1nee h HIS 57 Ca 0.12 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.56 1nee h HIS 57 Cb 0.54 0.19 -0.15 0.00 1.06 0.00 0.00 27.41 29.05 1nee h HIS 57 CO 0.00 -0.35 0.17 1.25 0.86 0.00 0.00 177.93 179.86 1nee h LEU 58 N -1.02 -0.15 -0.06 2.43 5.85 -1.49 0.22 115.31 121.09 1nee h LEU 58 Ca -0.06 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1nee h LEU 58 Cb 0.46 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1nee h LEU 58 CO 0.10 -0.23 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.87 1nee h LEU 59 N 0.13 -0.13 -0.74 2.25 3.38 -1.52 0.16 115.31 118.85 1nee h LEU 59 Ca 0.56 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 1nee h LEU 59 Cb 1.16 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1nee h LEU 59 CO -0.73 -0.06 0.39 0.11 0.09 0.00 0.00 178.44 178.24 1nee h LYS 60 N -0.04 1.04 -0.54 1.13 1.79 -0.40 -2.43 116.57 117.12 1nee h LYS 60 Ca 0.04 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1nee h LYS 60 Cb 0.10 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1nee h LYS 60 CO -0.09 0.79 0.27 0.74 -1.08 0.00 0.00 179.45 180.07 1nee h PHE 61 N 1.02 0.77 -0.14 -1.35 0.04 -0.29 0.22 116.94 117.20 1nee h PHE 61 Ca 0.26 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.02 1nee h PHE 61 Cb 0.06 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 1nee h PHE 61 CO 0.00 0.59 -0.05 -0.07 -0.60 0.00 0.00 178.31 178.19 1nee h LEU 62 N 0.73 -0.16 -1.11 1.54 4.07 -0.37 -0.31 115.31 119.69 1nee h LEU 62 Ca 0.19 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1nee h LEU 62 Cb 0.10 0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1nee h LEU 62 CO -0.02 -0.06 0.00 -0.07 -1.08 0.00 0.00 178.44 177.20 1nee h LEU 63 N -0.02 0.00 0.00 1.67 3.38 -1.28 -0.95 115.31 118.11 1nee h LEU 63 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1nee h LEU 63 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1nee h LEU 63 CO -0.16 0.00 -0.41 -0.09 0.09 0.00 0.00 178.44 177.87 1nee h ARG 64 N 0.00 0.28 -0.13 1.13 2.43 0.22 -3.28 114.38 115.03 1nee h ARG 64 Ca 0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1nee h ARG 64 Cb 0.57 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1nee h ARG 64 CO 0.00 1.01 0.00 -1.91 -1.51 0.00 0.00 179.97 177.56 1nee n GLU 65 N -4.37 1.91 -3.05 0.20 0.00 -0.24 -4.81 120.64 110.27 1nee n GLU 65 Ca -0.10 -1.34 -0.43 0.00 0.00 0.00 0.00 57.16 55.28 1nee n GLU 65 Cb 0.58 -1.45 -0.06 0.00 0.00 0.00 0.00 31.44 30.52 1nee n GLU 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1nee s LEU 66 N -1.75 4.60 0.00 4.31 1.02 -0.37 -3.40 118.68 123.09 1nee s LEU 66 Ca 0.34 -0.61 0.18 0.00 0.02 0.00 0.00 54.13 54.06 1nee s LEU 66 Cb 0.20 -2.63 0.56 0.00 0.02 0.00 0.00 46.19 44.33 1nee s LEU 66 CO 0.30 -0.97 1.43 0.61 0.02 0.00 0.00 176.35 177.74 1nee n GLY 67 N 5.12 0.79 3.58 -3.19 0.00 -1.26 -4.90 105.19 105.32 1nee n GLY 67 Ca -0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.60 1.82 0.01 2.61 -4.23 -1.26 -5.03 115.64 107.96 1nee s THR 68 Ca 0.32 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1nee s THR 68 Cb 0.17 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 71.07 1nee s THR 68 CO 0.24 -0.01 0.39 0.00 -0.54 0.00 0.00 174.62 174.70 1nee n ALA 69 N -0.90 -0.04 -0.88 3.99 0.00 -1.26 -4.76 120.51 116.66 1nee n ALA 69 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1nee n ALA 69 Cb 0.67 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.01 -1.87 3.56 0.00 0.00 -1.21 -4.97 105.19 99.68 1nee n GLY 70 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 1nee n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee s ASN 71 N 0.00 -0.38 -0.40 1.61 4.22 -1.26 -4.86 114.94 113.86 1nee s ASN 71 Ca 0.00 -0.13 -0.28 0.00 -2.14 0.00 0.00 52.86 50.31 1nee s ASN 71 Cb 0.00 0.50 0.02 0.00 1.28 0.00 0.00 41.25 43.05 1nee s ASN 71 CO 0.00 -0.84 1.04 -0.76 -2.04 0.00 0.00 177.10 174.51 1nee s LEU 72 N -2.68 3.85 0.15 3.54 1.02 -1.26 -2.52 118.68 120.77 1nee s LEU 72 Ca 0.06 0.62 0.04 0.00 0.02 0.00 0.00 54.13 54.87 1nee s LEU 72 Cb -0.02 -3.44 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 1nee s LEU 72 CO -0.07 -1.03 0.17 -1.61 0.02 0.00 0.00 176.35 173.84 1nee s GLU 73 N 3.91 3.07 0.67 1.70 0.41 -0.02 -4.74 118.70 123.71 1nee s GLU 73 Ca 0.44 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 54.24 1nee s GLU 73 Cb -0.10 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 1nee s GLU 73 CO 0.23 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.92 1nee n GLY 74 N -0.30 -1.61 0.30 -1.39 0.00 -1.26 -2.29 105.19 98.64 1nee n GLY 74 Ca -0.08 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.01 0.00 0.00 -0.02 0.00 -1.99 -3.43 103.07 96.61 1nee h GLY 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1nee h GLY 75 CO 0.01 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.59 1nee n ARG 76 N -4.27 1.83 -2.99 4.80 1.85 -1.24 -5.01 116.66 111.62 1nee n ARG 76 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1nee n ARG 76 Cb 0.22 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.64 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1nee n ALA 77 N -3.00 5.21 -2.72 2.89 0.00 -0.93 -4.04 120.51 117.93 1nee n ALA 77 Ca 0.00 -4.79 -0.42 0.00 0.00 0.00 0.00 53.44 48.22 1nee n ALA 77 Cb 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.17 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 -2.93 4.30 0.25 0.00 1.01 -0.97 -2.22 121.20 120.64 1nee s ILE 78 Ca 0.32 -1.29 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1nee s ILE 78 Cb 0.07 -4.96 0.06 0.00 0.01 0.00 0.00 42.46 37.63 1nee s ILE 78 CO 0.08 -1.77 0.34 0.00 0.00 0.00 0.00 174.94 173.59 1nee n LEU 79 N 7.79 0.00 -3.69 2.97 -0.00 0.19 -0.84 117.00 123.42 1nee n LEU 79 Ca 0.32 -0.49 -0.17 0.00 -0.00 0.00 0.00 56.01 55.67 1nee n LEU 79 Cb 0.49 -0.25 -0.16 0.00 -0.00 0.00 0.00 43.42 43.50 1nee n LEU 79 CO 0.61 -0.72 -0.27 -1.58 -0.00 0.00 0.00 177.39 175.43 1nee s GLN 80 N -3.57 0.01 0.00 1.47 0.74 -1.26 -1.13 119.66 115.92 1nee s GLN 80 Ca 0.21 0.44 0.00 0.00 0.05 0.00 0.00 55.36 56.06 1nee s GLN 80 Cb -0.01 -0.31 0.00 0.00 1.10 0.00 0.00 33.01 33.79 1nee s GLN 80 CO 0.14 -0.27 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 1nee n GLY 81 N 4.98 -0.99 0.82 2.59 0.00 -1.01 -3.35 105.19 108.23 1nee n GLY 81 Ca -0.11 0.69 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.04 1.61 4.01 -1.22 -4.64 118.16 116.88 1nee n LYS 82 Ca 0.00 -0.82 -0.14 0.00 -0.51 0.00 0.00 58.31 56.84 1nee n LYS 82 Cb 0.00 0.07 -0.11 0.00 -0.51 0.00 0.00 35.03 34.48 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1nee n PHE 83 N 0.08 0.46 -2.24 2.13 3.01 -1.26 -4.74 117.46 114.90 1nee n PHE 83 Ca -0.08 -1.56 -0.39 0.00 1.01 0.00 0.00 57.45 56.43 1nee n PHE 83 Cb 0.71 -1.36 -0.02 0.00 -0.01 0.00 0.00 39.48 38.79 1nee n PHE 83 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1nee n THR 84 N 1.86 3.23 -3.96 4.37 -1.04 -1.26 -4.31 114.28 113.16 1nee n THR 84 Ca 0.38 -3.26 -0.31 0.00 -2.04 0.00 0.00 64.05 58.82 1nee n THR 84 Cb 0.76 -2.34 -0.05 0.00 -1.82 0.00 0.00 70.33 66.88 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nee n HIS 85 N 9.54 -1.48 0.00 -1.42 1.44 -1.26 -4.84 115.22 117.20 1nee n HIS 85 Ca 0.48 0.54 0.00 0.00 -2.01 0.00 0.00 57.72 56.74 1nee n HIS 85 Cb 0.45 -1.98 0.00 0.00 0.12 0.00 0.00 29.99 28.58 1nee n HIS 85 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1nee n PHE 86 N -3.79 0.00 -0.01 -1.40 -0.00 -1.26 -3.92 117.46 107.08 1nee n PHE 86 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.43 1nee n PHE 86 Cb 0.48 -0.02 0.05 0.00 -0.00 0.00 0.00 39.48 39.98 1nee n PHE 86 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1nee h LEU 87 N 0.00 0.66 0.70 -2.13 5.85 -1.90 -2.33 115.31 116.16 1nee h LEU 87 Ca 0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1nee h LEU 87 Cb 0.00 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.85 1nee h LEU 87 CO 0.00 1.07 -0.33 0.40 -0.34 0.00 0.00 178.44 179.23 1nee h ILE 88 N 0.47 0.00 -0.51 4.05 2.04 -1.90 -2.23 117.51 119.43 1nee h ILE 88 Ca 0.01 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1nee h ILE 88 Cb 1.08 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1nee h ILE 88 CO 0.10 0.00 0.23 -1.13 0.00 0.00 0.00 178.15 177.35 1nee h ASN 89 N -1.10 0.30 0.18 1.72 -0.73 -1.68 0.55 115.58 114.82 1nee h ASN 89 Ca -0.10 0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.13 1nee h ASN 89 Cb 0.72 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.27 1nee h ASN 89 CO 0.16 0.21 -0.31 -0.33 -0.37 0.00 0.00 177.43 176.79 1nee h GLU 90 N 0.45 -0.54 0.10 6.67 5.08 -1.47 0.98 114.58 125.84 1nee h GLU 90 Ca 0.23 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1nee h GLU 90 Cb 0.19 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nee h GLU 90 CO -0.19 -0.36 -0.05 0.00 -1.00 0.00 0.00 179.01 177.41 1nee h ARG 91 N -0.56 -0.13 -0.07 2.33 3.08 -1.17 -1.89 114.38 115.97 1nee h ARG 91 Ca 0.02 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1nee h ARG 91 Cb 0.57 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 1nee h ARG 91 CO -0.14 -0.02 -0.39 0.82 -1.07 0.00 0.00 179.97 179.17 1nee h ILE 92 N -0.21 0.19 -0.71 2.04 2.04 -0.73 0.15 117.51 120.29 1nee h ILE 92 Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 1nee h ILE 92 Cb 0.17 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1nee h ILE 92 CO 0.02 0.00 0.48 -0.08 0.00 0.00 0.00 178.15 178.58 1nee h GLU 93 N -0.50 0.25 -0.11 2.37 4.22 -0.74 0.31 114.58 120.37 1nee h GLU 93 Ca 0.07 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.37 1nee h GLU 93 Cb 0.61 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1nee h GLU 93 CO -0.35 0.16 -0.46 0.22 -2.18 0.00 0.00 179.01 176.40 1nee h ASP 94 N 0.25 0.30 0.00 1.04 1.82 -0.16 -1.70 116.42 117.98 1nee h ASP 94 Ca 0.34 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1nee h ASP 94 Cb 0.99 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.91 1nee h ASP 94 CO -0.08 0.73 -0.37 1.88 -1.61 0.00 0.00 179.24 179.79 1nee h TYR 95 N 0.23 0.00 -0.56 0.28 0.05 0.30 -2.96 116.97 114.31 1nee h TYR 95 Ca 0.01 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.89 1nee h TYR 95 Cb 0.91 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.58 1nee h TYR 95 CO 0.02 0.10 0.16 -0.39 -1.05 0.00 0.00 178.16 177.00 1nee h VAL 96 N -1.00 0.73 -1.89 -2.88 -1.51 -0.65 -2.45 116.25 106.59 1nee h VAL 96 Ca -0.02 -0.11 -0.69 0.00 -1.23 0.00 0.00 66.70 64.66 1nee h VAL 96 Cb 0.40 0.39 -0.34 0.00 -2.13 0.00 0.00 31.29 29.60 1nee h VAL 96 CO -0.01 0.06 0.18 0.59 -1.23 0.00 0.00 177.57 177.16 1nee n ASN 97 N -5.06 6.08 0.13 4.19 3.02 -0.64 -4.69 115.26 118.29 1nee n ASN 97 Ca 0.07 -3.76 -0.23 0.00 -0.03 0.00 0.00 54.58 50.63 1nee n ASN 97 Cb 0.27 -0.79 -0.16 0.00 -0.61 0.00 0.00 39.78 38.49 1nee n ASN 97 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1nee h LYS 98 N 2.99 0.48 -0.74 3.52 3.64 -1.26 -2.38 116.57 122.82 1nee h LYS 98 Ca 0.41 -0.82 0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1nee h LYS 98 Cb 0.45 0.31 -0.10 0.00 -0.41 0.00 0.00 32.23 32.48 1nee h LYS 98 CO 1.11 1.39 0.25 0.35 -2.27 0.00 0.00 179.45 180.27 1nee h PHE 99 N 0.13 0.41 0.01 1.91 3.57 -1.83 1.28 116.94 122.41 1nee h PHE 99 Ca -0.27 0.04 -0.28 0.00 3.53 0.00 0.00 57.97 60.99 1nee h PHE 99 Cb 2.14 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.77 1nee h PHE 99 CO 0.12 -0.01 -1.58 -0.39 -2.23 0.00 0.00 178.31 174.22 1nee h VAL 100 N 0.36 1.02 0.11 1.41 -1.51 -1.95 1.15 116.25 116.84 1nee h VAL 100 Ca 0.42 -2.83 -0.15 0.00 -1.23 0.00 0.00 66.70 62.91 1nee h VAL 100 Cb 0.68 2.52 0.02 0.00 -2.13 0.00 0.00 31.29 32.37 1nee h VAL 100 CO -0.45 0.61 -0.66 -0.29 -1.23 0.00 0.00 177.57 175.55 1nee h ILE 101 N 0.01 1.57 -0.18 7.19 2.10 -0.88 -3.29 117.51 124.03 1nee h ILE 101 Ca -0.24 -2.50 0.00 0.00 1.08 0.00 0.00 64.86 63.21 1nee h ILE 101 Cb 1.97 3.23 0.00 0.00 -1.09 0.00 0.00 36.82 40.93 1nee h ILE 101 CO 0.09 0.70 0.00 0.00 -1.08 0.00 0.00 178.15 177.86 1nee n HIS 103 N 0.12 -1.91 -3.54 0.00 8.25 -1.21 -3.35 115.22 113.58 1nee n HIS 103 Ca 0.07 0.83 -0.30 0.00 -0.26 0.00 0.00 57.72 58.06 1nee n HIS 103 Cb 0.32 -4.28 0.02 0.00 1.12 0.00 0.00 29.99 27.18 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 -4.32 -1.81 -0.52 -0.41 0.28 0.40 -4.69 120.64 109.57 1nee n GLU 104 Ca -0.27 1.25 -0.13 0.00 -0.16 0.00 0.00 57.16 57.85 1nee n GLU 104 Cb 0.67 -2.57 -0.04 0.00 1.43 0.00 0.00 31.44 30.93 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nee n ASN 106 N 3.79 0.00 -3.39 0.00 5.15 -1.26 -4.72 115.26 114.83 1nee n ASN 106 Ca 0.28 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.91 1nee n ASN 106 Cb 0.21 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.45 1nee n ASN 106 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nee n ARG 107 N 0.00 4.51 -1.57 1.20 1.74 -1.26 -5.07 116.66 116.21 1nee n ARG 107 Ca 0.00 -4.74 -0.41 0.00 -0.77 0.00 0.00 57.85 51.93 1nee n ARG 107 Cb 0.00 -2.38 0.02 0.00 -1.02 0.00 0.00 32.46 29.08 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nee n PRO 108 N -0.05 1.10 -0.08 5.56 -0.02 -1.26 -4.85 135.00 135.40 1nee n PRO 108 Ca 0.40 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 62.29 1nee n PRO 108 Cb 0.32 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.48 1.10 -4.85 2.55 8.00 -1.26 -4.82 116.55 117.75 1nee n ASP 109 Ca 0.10 -2.06 -0.28 0.00 0.71 0.00 0.00 54.79 53.26 1nee n ASP 109 Cb 0.41 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1nee n ASP 109 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1nee s THR 110 N -1.52 1.58 -0.62 -3.53 -1.32 -1.26 -5.08 115.64 103.89 1nee s THR 110 Ca 0.07 -1.66 -0.22 0.00 -1.21 0.00 0.00 61.69 58.67 1nee s THR 110 Cb 0.04 -2.24 0.07 0.00 -1.51 0.00 0.00 72.50 68.86 1nee s THR 110 CO 0.03 0.00 0.89 -0.13 -2.21 0.00 0.00 174.62 173.20 1nee s ARG 111 N -4.12 3.13 0.10 7.08 1.81 -1.26 -5.03 118.95 120.65 1nee s ARG 111 Ca 0.26 -0.83 -0.08 0.00 -1.72 0.00 0.00 55.73 53.36 1nee s ARG 111 Cb -0.01 -4.20 -0.06 0.00 -0.45 0.00 0.00 34.95 30.24 1nee s ARG 111 CO 0.16 -1.68 0.39 0.42 -0.68 0.00 0.00 175.30 173.91 1nee s ILE 112 N 3.71 5.12 -0.01 1.52 -1.09 -1.26 -4.90 121.20 124.29 1nee s ILE 112 Ca 0.21 0.32 -0.04 0.00 -2.23 0.00 0.00 60.65 58.91 1nee s ILE 112 Cb -0.18 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1nee s ILE 112 CO 0.11 0.21 0.08 -0.51 -1.23 0.00 0.00 174.94 173.61 1nee s ILE 113 N -1.48 0.05 -0.11 2.92 -1.16 -1.26 -5.00 121.20 115.17 1nee s ILE 113 Ca 0.35 -0.40 -0.04 0.00 -0.51 0.00 0.00 60.65 60.05 1nee s ILE 113 Cb -0.13 -0.26 0.05 0.00 0.61 0.00 0.00 42.46 42.74 1nee s ILE 113 CO 0.20 -0.22 0.16 -0.60 -2.81 0.00 0.00 174.94 171.67 1nee s ARG 114 N -0.70 0.06 -0.01 3.50 3.52 -1.25 -2.44 118.95 121.61 1nee s ARG 114 Ca -0.08 0.46 0.04 0.00 -0.13 0.00 0.00 55.73 56.02 1nee s ARG 114 Cb -0.05 -0.54 -0.01 0.00 -1.56 0.00 0.00 34.95 32.79 1nee s ARG 114 CO 0.00 -0.39 -0.14 -2.00 -0.81 0.00 0.00 175.30 171.96 1nee s GLU 115 N 2.29 1.18 0.00 5.12 2.56 -0.09 -4.80 118.70 124.96 1nee s GLU 115 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 54.97 54.49 1nee s GLU 115 Cb -0.13 -1.14 0.00 0.00 2.00 0.00 0.00 34.13 34.86 1nee s GLU 115 CO -0.07 0.31 0.00 0.41 -0.56 0.00 0.00 175.26 175.35 1nee n GLY 116 N 2.74 1.59 3.34 -1.50 0.00 -1.26 -1.41 105.19 108.69 1nee n GLY 116 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 1nee n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 117 N -1.09 -3.84 -2.48 1.61 1.74 -1.26 -3.70 116.66 107.65 1nee n ARG 117 Ca 0.00 0.84 -0.08 0.00 -0.77 0.00 0.00 57.85 57.85 1nee n ARG 117 Cb 0.00 -5.78 0.04 0.00 -1.02 0.00 0.00 32.46 25.70 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1nee n ILE 118 N -3.61 -4.20 0.00 0.55 5.41 -1.26 -4.95 119.36 111.31 1nee n ILE 118 Ca -0.15 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.09 1nee n ILE 118 Cb 0.64 -4.34 0.00 0.00 -0.71 0.00 0.00 39.64 35.23 1nee n ILE 118 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1nee n SER 119 N -2.22 0.50 -4.24 4.38 7.64 -1.24 -4.76 113.62 113.66 1nee n SER 119 Ca -0.07 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.55 1nee n SER 119 Cb 0.57 0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.32 2.14 -0.14 -3.43 1.02 -0.50 -5.00 118.68 110.46 1nee s LEU 120 Ca 0.00 -0.49 -0.32 0.00 0.02 0.00 0.00 54.13 53.34 1nee s LEU 120 Cb 0.00 -0.99 0.13 0.00 0.02 0.00 0.00 46.19 45.35 1nee s LEU 120 CO 0.00 0.18 1.10 -1.48 0.02 0.00 0.00 176.35 176.16 1nee s LEU 121 N -1.05 -0.23 -0.06 1.79 2.34 -0.70 -0.91 118.68 119.86 1nee s LEU 121 Ca 0.07 0.06 0.03 0.00 0.06 0.00 0.00 54.13 54.36 1nee s LEU 121 Cb -0.09 1.62 -0.03 0.00 -0.56 0.00 0.00 46.19 47.14 1nee s LEU 121 CO 0.01 -0.35 -0.13 -1.59 -1.06 0.00 0.00 176.35 173.23 1nee s LYS 122 N -2.31 2.58 -0.42 1.48 -2.85 -1.02 -1.69 119.74 115.51 1nee s LYS 122 Ca 0.06 -0.68 0.10 0.00 -1.00 0.00 0.00 55.97 54.45 1nee s LYS 122 Cb -0.01 -2.42 0.33 0.00 -2.06 0.00 0.00 37.83 33.67 1nee s LYS 122 CO -0.05 0.60 0.73 0.00 0.10 0.00 0.00 175.35 176.73 1nee h GLU 124 N 3.21 0.00 0.00 0.00 4.11 -1.90 -0.84 114.58 119.16 1nee h GLU 124 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1nee h GLU 124 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1nee h GLU 124 CO 0.56 0.09 0.00 0.00 0.07 0.00 0.00 179.01 179.73 1nee n ALA 125 N -2.27 0.00 -1.04 1.06 0.00 -1.26 -4.25 120.51 112.74 1nee n ALA 125 Ca -0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 1nee n ALA 125 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 3.28 0.84 3.33 0.00 0.00 -1.17 -4.82 105.19 106.66 1nee n GLY 127 Ca 0.58 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 -1.09 0.03 4.61 0.00 -0.33 -4.05 121.76 118.93 1nee s ALA 128 Ca 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1nee s ALA 128 Cb 0.00 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1nee s ALA 128 CO 0.00 -0.34 0.34 0.21 0.00 0.00 0.00 175.76 175.97 1nee s LYS 129 N -1.61 0.81 -0.56 0.00 2.47 -1.26 -4.58 119.74 115.02 1nee s LYS 129 Ca -0.11 -0.38 -0.21 0.00 -1.56 0.00 0.00 55.97 53.71 1nee s LYS 129 Cb -0.03 0.36 0.06 0.00 -1.46 0.00 0.00 37.83 36.76 1nee s LYS 129 CO 0.04 -0.26 0.79 0.00 0.16 0.00 0.00 175.35 176.08 1nee s ALA 130 N -2.21 3.27 0.00 3.13 0.00 -0.68 -4.21 121.76 121.06 1nee s ALA 130 Ca -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1nee s ALA 130 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1nee s ALA 130 CO -0.01 -2.31 0.31 -0.35 0.00 0.00 0.00 175.76 173.40 1nee n PRO 131 N 6.85 0.00 -1.55 0.00 -0.04 -1.09 -1.73 135.00 137.44 1nee n PRO 131 Ca -0.04 0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1nee n PRO 131 Cb 0.46 -0.84 0.01 0.00 -0.04 0.00 0.00 33.50 33.08 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 -0.71 0.63 -3.52 1.53 -0.00 -1.26 -3.91 117.00 109.75 1nee n LEU 132 Ca 0.00 -2.11 -0.15 0.00 -0.00 0.00 0.00 56.01 53.75 1nee n LEU 132 Cb 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 43.42 43.42 1nee n LEU 132 CO 0.00 0.75 0.36 -0.75 -0.00 0.00 0.00 177.39 177.75 1nee s LYS 133 N -0.32 1.10 -1.00 1.47 2.36 -1.26 -5.10 119.74 116.99 1nee s LYS 133 Ca 0.27 -0.13 -0.13 0.00 -2.55 0.00 0.00 55.97 53.42 1nee s LYS 133 Cb 0.31 0.51 0.22 0.00 -1.05 0.00 0.00 37.83 37.82 1nee s LYS 133 CO -0.13 -0.40 1.05 -0.80 1.55 0.00 0.00 175.35 176.62 1nee s ASN 134 N -1.90 6.97 0.00 1.43 0.02 -1.26 -4.86 114.94 115.34 1nee s ASN 134 Ca -0.06 -2.92 0.28 0.00 -1.02 0.00 0.00 52.86 49.15 1nee s ASN 134 Cb -0.01 -2.27 1.13 0.00 0.02 0.00 0.00 41.25 40.13 1nee s ASN 134 CO -0.01 -0.59 1.79 1.33 0.02 0.00 0.00 177.10 179.64