#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 2.50 -0.14 7.83 9.92 -1.26 -5.05 116.55 130.35 1nee n ASP 2 Ca 0.00 -2.21 0.11 0.00 -0.53 0.00 0.00 54.79 52.16 1nee n ASP 2 Cb 0.00 0.25 0.09 0.00 -0.64 0.00 0.00 41.12 40.83 1nee n ASP 2 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1nee n ASP 3 N -1.26 1.07 -2.23 -2.24 5.75 -1.26 -5.04 116.55 111.34 1nee n ASP 3 Ca -0.10 -0.87 -0.03 0.00 -0.01 0.00 0.00 54.79 53.78 1nee n ASP 3 Cb 0.35 0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 40.96 1nee n ASP 3 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1nee n TYR 4 N -1.06 -2.81 -1.40 2.11 4.02 -1.26 -5.01 117.16 111.74 1nee n TYR 4 Ca 0.07 1.53 -0.29 0.00 -0.01 0.00 0.00 57.90 59.19 1nee n TYR 4 Cb 0.36 -3.09 0.13 0.00 -0.02 0.00 0.00 39.34 36.73 1nee n TYR 4 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1nee s GLU 5 N -0.87 1.23 -0.18 -0.72 -1.05 -1.26 -5.06 118.70 110.79 1nee s GLU 5 Ca -0.13 0.52 0.01 0.00 -0.15 0.00 0.00 54.97 55.22 1nee s GLU 5 Cb 0.01 -1.83 0.02 0.00 -0.44 0.00 0.00 34.13 31.89 1nee s GLU 5 CO 0.51 -2.19 -0.18 0.21 0.95 0.00 0.00 175.26 174.56 1nee s LYS 6 N -5.12 2.82 0.00 -4.83 2.47 -1.26 -5.06 119.74 108.77 1nee s LYS 6 Ca 0.63 -0.82 0.00 0.00 -1.56 0.00 0.00 55.97 54.22 1nee s LYS 6 Cb -0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 37.83 33.69 1nee s LYS 6 CO 0.55 -0.24 0.43 1.28 0.16 0.00 0.00 175.35 177.53 1nee n LEU 7 N 4.63 0.43 -4.57 5.43 4.32 -1.26 -4.23 117.00 121.76 1nee n LEU 7 Ca -0.20 0.43 -0.37 0.00 -0.02 0.00 0.00 56.01 55.85 1nee n LEU 7 Cb 0.49 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.26 1nee n LEU 7 CO 0.25 0.00 1.55 -0.76 -1.22 0.00 0.00 177.39 177.21 1nee s LEU 8 N -1.00 3.44 -0.46 2.23 1.02 -1.26 -4.94 118.68 117.71 1nee s LEU 8 Ca 0.00 -1.50 -0.21 0.00 0.02 0.00 0.00 54.13 52.44 1nee s LEU 8 Cb 0.00 -2.57 0.03 0.00 0.02 0.00 0.00 46.19 43.67 1nee s LEU 8 CO 0.00 -1.90 0.69 -1.61 0.02 0.00 0.00 176.35 173.55 1nee s GLU 9 N 5.46 3.28 -0.03 1.70 2.02 -1.26 -5.05 118.70 124.82 1nee s GLU 9 Ca 0.56 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 55.11 1nee s GLU 9 Cb -0.01 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 1nee s GLU 9 CO -0.02 -1.11 0.15 1.03 0.02 0.00 0.00 175.26 175.33 1nee s ARG 10 N 2.98 3.34 -0.33 1.61 3.00 -1.26 -4.36 118.95 123.93 1nee s ARG 10 Ca 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 55.73 55.64 1nee s ARG 10 Cb -0.14 -3.05 0.00 0.00 0.00 0.00 0.00 34.95 31.75 1nee s ARG 10 CO 0.18 0.69 0.00 0.00 0.00 0.00 0.00 175.30 176.17 1nee n ALA 11 N 1.21 -0.08 -0.02 2.13 0.00 -1.26 -4.92 120.51 117.56 1nee n ALA 11 Ca -0.13 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1nee n ALA 11 Cb 0.53 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 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 -3.58 0.27 -0.03 0.00 -0.00 -1.26 -4.75 119.36 110.00 1nee n ILE 12 Ca -0.04 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.37 1nee n ILE 12 Cb 0.37 -0.11 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 1nee n ILE 12 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1nee n ASP 13 N -2.09 0.00 0.00 4.38 9.92 -1.26 -5.00 116.55 122.51 1nee n ASP 13 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1nee n ASP 13 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1nee n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nee n GLN 14 N 0.00 0.00 -1.64 -1.24 6.02 -1.26 -4.93 117.38 114.32 1nee n GLN 14 Ca 0.00 0.16 -0.45 0.00 -0.01 0.00 0.00 57.00 56.70 1nee n GLN 14 Cb 0.00 -0.58 -0.03 0.00 1.02 0.00 0.00 30.24 30.66 1nee n GLN 14 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1nee n LEU 15 N -1.85 2.58 -4.63 1.08 7.94 -1.26 -4.81 117.00 116.04 1nee n LEU 15 Ca 0.00 1.16 -0.58 0.00 -1.11 0.00 0.00 56.01 55.48 1nee n LEU 15 Cb 0.00 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 42.51 1nee n LEU 15 CO 0.00 -0.83 1.01 -0.81 -1.11 0.00 0.00 177.39 175.65 1nee n PRO 16 N 1.55 0.75 0.00 1.96 -0.04 -1.26 -4.74 135.00 133.22 1nee n PRO 16 Ca 0.11 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1nee n PRO 16 Cb 0.31 -1.88 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 3.43 0.00 0.00 0.54 -0.04 -1.26 -4.72 135.00 132.94 1nee n PRO 17 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1nee n PRO 17 Cb 0.11 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.26 0.00 -1.59 0.54 4.71 -1.26 -4.77 120.64 118.01 1nee n GLU 18 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 1nee n GLU 18 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 31.44 30.51 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1nee s VAL 19 N 0.00 3.20 0.48 2.62 1.01 -1.26 -5.04 120.40 121.41 1nee s VAL 19 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1nee s VAL 19 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 1nee s VAL 19 CO 0.00 -0.51 0.93 -0.36 0.00 0.00 0.00 175.10 175.15 1nee s PHE 20 N -3.17 3.45 -0.02 5.22 0.08 -1.26 -5.09 117.98 117.20 1nee s PHE 20 Ca 0.60 1.36 -0.28 0.00 0.12 0.00 0.00 56.93 58.73 1nee s PHE 20 Cb -0.14 -2.70 0.07 0.00 -0.57 0.00 0.00 43.02 39.68 1nee s PHE 20 CO 0.54 -0.29 0.63 -1.21 -0.10 0.00 0.00 175.22 174.79 1nee s GLU 21 N -3.98 1.06 -0.08 0.44 2.02 -1.26 -5.07 118.70 111.83 1nee s GLU 21 Ca 0.57 0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.64 1nee s GLU 21 Cb -0.10 0.49 -0.04 0.00 0.10 0.00 0.00 34.13 34.59 1nee s GLU 21 CO 0.31 -0.35 0.07 -0.08 0.02 0.00 0.00 175.26 175.23 1nee s THR 22 N -1.57 4.88 0.06 3.63 -1.32 -1.26 -4.68 115.64 115.37 1nee s THR 22 Ca -0.09 -0.11 -0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1nee s THR 22 Cb -0.00 -3.12 -0.04 0.00 -1.51 0.00 0.00 72.50 67.82 1nee s THR 22 CO 0.06 0.55 0.24 -1.59 -2.21 0.00 0.00 174.62 171.67 1nee s LYS 23 N -1.15 3.49 -1.22 7.08 0.00 -1.26 -5.03 119.74 121.65 1nee s LYS 23 Ca 0.16 -0.32 -0.08 0.00 0.00 0.00 0.00 55.97 55.73 1nee s LYS 23 Cb -0.12 -3.02 0.21 0.00 0.00 0.00 0.00 37.83 34.90 1nee s LYS 23 CO 0.06 0.60 1.74 0.54 0.00 0.00 0.00 175.35 178.28 1nee n ARG 24 N 0.45 3.85 -3.26 1.78 5.12 -1.26 -4.96 116.66 118.38 1nee n ARG 24 Ca -0.06 -3.84 -0.44 0.00 -1.93 0.00 0.00 57.85 51.58 1nee n ARG 24 Cb 0.52 -2.81 -0.07 0.00 -1.16 0.00 0.00 32.46 28.94 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 -0.48 3.13 -0.21 -1.55 0.40 -1.26 -5.01 117.98 113.00 1nee s PHE 25 Ca 0.37 -0.60 -0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1nee s PHE 25 Cb 0.07 -3.28 0.09 0.00 0.51 0.00 0.00 43.02 40.41 1nee s PHE 25 CO 0.03 -0.89 0.20 -1.21 0.70 0.00 0.00 175.22 174.05 1nee s GLU 26 N 2.24 0.18 -0.39 0.44 0.41 -1.26 -5.01 118.70 115.31 1nee s GLU 26 Ca 0.11 0.07 0.11 0.00 -0.41 0.00 0.00 54.97 54.86 1nee s GLU 26 Cb -0.20 -1.29 0.38 0.00 -1.78 0.00 0.00 34.13 31.24 1nee s GLU 26 CO 0.11 -0.71 1.08 0.28 -0.49 0.00 0.00 175.26 175.53 1nee n VAL 27 N 5.31 0.21 -0.76 2.63 0.31 -1.26 -5.12 118.33 119.65 1nee n VAL 27 Ca -0.06 -2.47 -0.33 0.00 -0.01 0.00 0.00 64.34 61.48 1nee n VAL 27 Cb 0.49 0.80 0.14 0.00 -0.91 0.00 0.00 33.84 34.36 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 -0.07 -0.77 0.00 5.55 -0.02 -1.26 -4.57 135.00 133.87 1nee n PRO 28 Ca 0.07 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1nee n PRO 28 Cb 0.77 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.65 0.00 -1.39 -0.52 4.76 -1.26 -5.02 118.16 113.08 1nee n LYS 29 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1nee n LYS 29 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nee n ALA 30 N 1.97 -2.55 -3.68 7.82 0.00 -1.26 -4.92 120.51 117.89 1nee n ALA 30 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1nee n ALA 30 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.26 -0.56 0.56 0.00 1.13 -1.26 -4.64 117.35 111.32 1nee s TYR 31 Ca 0.00 1.18 -0.09 0.00 -1.41 0.00 0.00 57.07 56.74 1nee s TYR 31 Cb 0.00 0.15 0.14 0.00 -1.10 0.00 0.00 41.96 41.15 1nee s TYR 31 CO 0.00 -0.37 0.52 0.43 -2.51 0.00 0.00 175.55 173.62 1nee n SER 32 N 4.92 -1.32 -3.87 -0.18 7.64 -1.26 -4.86 113.62 114.69 1nee n SER 32 Ca -0.14 -0.86 -0.14 0.00 1.01 0.00 0.00 58.87 58.74 1nee n SER 32 Cb 0.51 -0.47 -0.15 0.00 -1.01 0.00 0.00 64.21 63.10 1nee n SER 32 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1nee s VAL 33 N -1.97 0.11 0.18 0.44 -7.23 -1.26 -4.97 120.40 105.70 1nee s VAL 33 Ca 0.33 -0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.46 1nee s VAL 33 Cb -0.03 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.72 1nee s VAL 33 CO 0.25 0.06 0.41 -0.63 -0.31 0.00 0.00 175.10 174.88 1nee s ILE 34 N 0.28 5.15 -0.37 -0.62 1.01 -1.26 -1.08 121.20 124.31 1nee s ILE 34 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1nee s ILE 34 Cb -0.04 -3.67 0.19 0.00 0.01 0.00 0.00 42.46 38.94 1nee s ILE 34 CO -0.01 -0.08 0.61 -1.58 0.00 0.00 0.00 174.94 173.89 1nee s GLN 35 N -2.99 0.73 0.00 2.79 2.00 -0.27 -4.93 119.66 116.99 1nee s GLN 35 Ca 0.41 0.01 0.00 0.00 -2.00 0.00 0.00 55.36 53.78 1nee s GLN 35 Cb -0.12 0.14 0.00 0.00 0.80 0.00 0.00 33.01 33.83 1nee s GLN 35 CO 0.27 -1.14 0.00 0.41 -0.50 0.00 0.00 175.29 174.32 1nee n GLY 36 N 4.76 0.86 0.43 2.59 0.00 -1.26 -1.43 105.19 111.15 1nee n GLY 36 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1nee n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nee n ASN 37 N 2.04 0.00 -4.16 1.61 6.94 -1.26 -5.12 115.26 115.31 1nee n ASN 37 Ca 0.00 -1.16 -0.22 0.00 -0.02 0.00 0.00 54.58 53.18 1nee n ASN 37 Cb 0.00 -0.03 -0.14 0.00 -2.36 0.00 0.00 39.78 37.25 1nee n ASN 37 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1nee s ARG 38 N 0.00 1.14 -0.28 -3.83 3.00 -0.51 -1.65 118.95 116.82 1nee s ARG 38 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 55.73 54.96 1nee s ARG 38 Cb 0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 34.95 33.80 1nee s ARG 38 CO 0.00 0.30 0.07 -0.08 0.00 0.00 0.00 175.30 175.60 1nee s THR 39 N -0.63 4.07 -1.26 0.02 -1.32 -0.78 -1.12 115.64 114.63 1nee s THR 39 Ca 0.04 -0.52 -0.12 0.00 -1.21 0.00 0.00 61.69 59.88 1nee s THR 39 Cb -0.07 -3.03 0.15 0.00 -1.51 0.00 0.00 72.50 68.05 1nee s THR 39 CO 0.01 0.17 1.67 0.49 -2.21 0.00 0.00 174.62 174.75 1nee n PHE 40 N 4.89 4.09 -1.66 9.09 3.01 -0.24 -1.64 117.46 134.99 1nee n PHE 40 Ca -0.15 -3.08 -0.45 0.00 1.01 0.00 0.00 57.45 54.78 1nee n PHE 40 Cb 0.49 -2.15 -0.04 0.00 -0.01 0.00 0.00 39.48 37.77 1nee n PHE 40 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1nee n ILE 41 N 4.28 0.67 -0.11 4.37 -0.00 -0.40 -4.17 119.36 124.00 1nee n ILE 41 Ca 0.40 -0.15 -0.17 0.00 -0.00 0.00 0.00 62.75 62.83 1nee n ILE 41 Cb 0.40 -2.15 -0.09 0.00 -0.00 0.00 0.00 39.64 37.80 1nee n ILE 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nee n GLN 42 N 7.28 0.52 -2.63 0.38 10.64 -1.26 -2.28 117.38 130.02 1nee n GLN 42 Ca 0.22 0.14 -0.34 0.00 -1.83 0.00 0.00 57.00 55.20 1nee n GLN 42 Cb 0.36 -1.39 -0.00 0.00 -0.86 0.00 0.00 30.24 28.34 1nee n GLN 42 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1nee n ASN 43 N -3.34 5.92 -0.26 2.61 0.23 -1.26 -4.86 115.26 114.30 1nee n ASN 43 Ca -0.39 -3.71 0.03 0.00 -0.53 0.00 0.00 54.58 49.98 1nee n ASN 43 Cb 0.88 -0.82 0.12 0.00 -2.08 0.00 0.00 39.78 37.88 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 1nee h PHE 44 N 3.35 -0.23 -0.33 -2.53 -0.00 -1.97 1.28 116.94 116.50 1nee h PHE 44 Ca 0.35 0.06 -0.00 0.00 -0.00 0.00 0.00 57.97 58.38 1nee h PHE 44 Cb 0.44 0.22 -0.02 0.00 -0.00 0.00 0.00 35.95 36.59 1nee h PHE 44 CO 1.05 -0.29 0.20 -0.09 -0.00 0.00 0.00 178.31 179.18 1nee h ARG 45 N 0.04 0.45 0.42 6.09 1.12 -1.98 0.33 114.38 120.85 1nee h ARG 45 Ca 0.39 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.19 1nee h ARG 45 Cb 0.64 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1nee h ARG 45 CO -0.72 0.34 -0.20 1.49 -3.11 0.00 0.00 179.97 177.77 1nee h GLU 46 N 0.42 -0.54 -0.46 0.20 4.81 -1.30 -2.67 114.58 115.04 1nee h GLU 46 Ca 0.12 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.49 1nee h GLU 46 Cb 0.01 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1nee h GLU 46 CO -0.02 -0.26 0.32 -0.24 -0.73 0.00 0.00 179.01 178.08 1nee h VAL 47 N -1.04 0.83 0.81 0.32 3.04 0.15 -2.51 116.25 117.85 1nee h VAL 47 Ca -0.06 -0.05 -0.04 0.00 -1.01 0.00 0.00 66.70 65.54 1nee h VAL 47 Cb 0.53 0.68 0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1nee h VAL 47 CO 0.09 0.03 -0.39 0.00 -1.01 0.00 0.00 177.57 176.29 1nee h ALA 48 N 1.77 -1.09 -0.13 3.17 0.00 -0.31 -2.64 119.26 120.02 1nee h ALA 48 Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nee h ALA 48 Cb 0.68 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1nee h ALA 48 CO -0.03 -1.03 -0.34 0.22 0.00 0.00 0.00 179.25 178.07 1nee h ASP 49 N -1.26 -1.11 -0.36 0.00 1.82 -1.09 0.31 116.42 114.72 1nee h ASP 49 Ca -0.11 0.14 0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1nee h ASP 49 Cb 0.84 0.44 -0.08 0.00 0.68 0.00 0.00 39.33 41.21 1nee h ASP 49 CO 0.18 -0.29 -0.53 0.00 -1.61 0.00 0.00 179.24 176.99 1nee h ALA 50 N -0.67 -0.78 0.00 -0.78 0.00 -1.59 0.30 119.26 115.75 1nee h ALA 50 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nee h ALA 50 Cb 0.41 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1nee h ALA 50 CO -0.30 -1.02 0.00 -0.11 0.00 0.00 0.00 179.25 177.82 1nee n LEU 51 N -5.24 0.62 0.00 0.00 7.94 -1.00 -4.51 117.00 114.81 1nee n LEU 51 Ca -0.04 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.57 1nee n LEU 51 Cb 0.33 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.59 1nee n LEU 51 CO 0.01 -0.73 0.00 -3.20 -1.11 0.00 0.00 177.39 172.37 1nee n ASN 52 N -2.25 0.00 -0.28 1.96 2.85 0.11 -4.89 115.26 112.76 1nee n ASN 52 Ca 0.01 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1nee n ASN 52 Cb 0.15 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.18 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 -0.10 -6.50 1.20 9.65 -1.24 -3.08 114.38 114.31 1nee h ARG 53 Ca 0.00 0.01 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 1nee h ARG 53 Cb 0.00 0.02 0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1nee h ARG 53 CO 0.00 -0.07 0.79 -0.51 2.80 0.00 0.00 179.97 182.98 1nee s ASP 54 N -5.25 6.80 0.01 -3.80 1.11 -1.26 -4.40 116.67 109.88 1nee s ASP 54 Ca -0.14 2.30 -0.21 0.00 0.18 0.00 0.00 52.55 54.68 1nee s ASP 54 Cb 0.17 -2.58 -0.18 0.00 1.07 0.00 0.00 42.92 41.40 1nee s ASP 54 CO 0.69 -0.70 1.23 1.55 1.18 0.00 0.00 175.17 179.12 1nee h PRO 55 N 7.20 0.33 -0.19 8.23 0.13 -1.89 -3.12 132.00 142.69 1nee h PRO 55 Ca -0.41 -0.24 0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1nee h PRO 55 Cb 1.20 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1nee h PRO 55 CO 0.88 0.85 0.31 1.96 -0.23 0.00 0.00 178.00 181.77 1nee h GLN 56 N -0.13 0.00 0.45 0.86 4.20 -1.94 -2.21 115.11 116.34 1nee h GLN 56 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1nee h GLN 56 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1nee h GLN 56 CO 0.05 0.00 -0.22 1.25 -0.67 0.00 0.00 178.83 179.25 1nee h HIS 57 N 0.00 -0.56 -0.90 2.96 2.76 -1.91 -2.79 115.15 114.71 1nee h HIS 57 Ca 0.09 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.49 1nee h HIS 57 Cb 0.71 0.19 -0.14 0.00 1.55 0.00 0.00 27.41 29.71 1nee h HIS 57 CO 0.00 -0.35 0.29 1.25 -1.30 0.00 0.00 177.93 177.82 1nee h LEU 58 N -1.04 0.10 0.55 0.26 5.85 -1.46 -0.22 115.31 119.34 1nee h LEU 58 Ca -0.06 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1nee h LEU 58 Cb 0.46 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1nee h LEU 58 CO 0.10 -0.14 -0.34 0.25 -0.34 0.00 0.00 178.44 177.97 1nee h LEU 59 N 0.24 -0.86 -2.04 2.25 6.46 -1.53 -1.24 115.31 118.59 1nee h LEU 59 Ca 0.58 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.48 1nee h LEU 59 Cb 1.18 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 1nee h LEU 59 CO -0.64 -0.53 0.25 0.11 -0.62 0.00 0.00 178.44 177.01 1nee h LYS 60 N -0.85 0.00 -0.13 1.25 1.79 -0.92 -1.73 116.57 115.99 1nee h LYS 60 Ca -0.06 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1nee h LYS 60 Cb 0.69 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1nee h LYS 60 CO 0.06 0.00 -0.07 0.74 -1.08 0.00 0.00 179.45 179.11 1nee h PHE 61 N 0.00 0.31 0.14 -1.35 0.04 -0.28 -0.46 116.94 115.35 1nee h PHE 61 Ca 0.16 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.86 1nee h PHE 61 Cb 0.66 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1nee h PHE 61 CO 0.00 0.61 -0.15 -0.07 -0.60 0.00 0.00 178.31 178.10 1nee h LEU 62 N -0.08 -0.40 -1.67 1.54 3.38 -0.34 -1.84 115.31 115.90 1nee h LEU 62 Ca 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1nee h LEU 62 Cb 0.53 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1nee h LEU 62 CO 0.02 -0.23 -0.19 -0.07 0.09 0.00 0.00 178.44 178.06 1nee h LEU 63 N -0.32 0.00 -1.04 1.67 3.38 -1.54 0.62 115.31 118.08 1nee h LEU 63 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nee h LEU 63 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1nee h LEU 63 CO -0.05 0.19 0.53 -0.09 0.09 0.00 0.00 178.44 179.12 1nee h ARG 64 N 0.00 1.19 0.00 1.13 2.43 -0.24 -3.09 114.38 115.81 1nee h ARG 64 Ca -0.00 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1nee h ARG 64 Cb 0.41 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1nee h ARG 64 CO 0.03 0.83 -1.90 0.39 -1.51 0.00 0.00 179.97 177.81 1nee n GLU 65 N -4.37 0.62 -1.53 0.20 -0.58 -0.99 -4.94 120.64 109.06 1nee n GLU 65 Ca 0.10 -0.16 -0.48 0.00 -0.42 0.00 0.00 57.16 56.20 1nee n GLU 65 Cb 0.06 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 29.42 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 -2.20 2.70 0.19 -4.62 4.32 0.21 -4.36 117.00 113.23 1nee n LEU 66 Ca -0.06 0.41 0.12 0.00 -0.02 0.00 0.00 56.01 56.47 1nee n LEU 66 Cb 0.55 -1.38 0.20 0.00 -1.62 0.00 0.00 43.42 41.17 1nee n LEU 66 CO 0.40 -0.63 0.77 1.23 -1.22 0.00 0.00 177.39 177.93 1nee h GLY 67 N 12.91 0.00 -2.36 -0.72 0.00 -1.81 -3.46 103.07 107.62 1nee h GLY 67 Ca -0.35 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.55 1nee h GLY 67 CO 0.99 0.00 -0.27 -0.51 0.00 0.00 0.00 176.54 176.75 1nee s THR 68 N -3.20 2.90 0.03 4.70 -4.23 -1.25 -4.99 115.64 109.60 1nee s THR 68 Ca 0.07 -1.06 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 1nee s THR 68 Cb 0.07 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.93 1nee s THR 68 CO 0.66 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 175.25 1nee n ALA 69 N -1.81 -0.12 -0.87 3.99 0.00 -1.26 -4.66 120.51 115.78 1nee n ALA 69 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1nee n ALA 69 Cb 0.60 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.04 -1.81 3.64 0.00 0.00 -1.17 -5.00 105.19 99.81 1nee n GLY 70 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -0.33 -0.45 1.61 3.84 -1.26 -4.91 114.94 113.44 1nee s ASN 71 Ca 0.00 -0.26 -0.26 0.00 0.21 0.00 0.00 52.86 52.54 1nee s ASN 71 Cb 0.00 0.54 0.03 0.00 -0.55 0.00 0.00 41.25 41.27 1nee s ASN 71 CO 0.00 -0.95 0.97 -0.76 -2.79 0.00 0.00 177.10 173.57 1nee s LEU 72 N -2.78 3.94 0.20 3.21 1.02 -1.26 -3.25 118.68 119.75 1nee s LEU 72 Ca 0.08 0.25 0.05 0.00 0.02 0.00 0.00 54.13 54.53 1nee s LEU 72 Cb -0.02 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 1nee s LEU 72 CO -0.03 -1.06 0.19 -0.70 0.02 0.00 0.00 176.35 174.77 1nee s GLU 73 N 3.85 3.01 0.42 1.70 -6.30 -0.79 -4.80 118.70 115.78 1nee s GLU 73 Ca 0.39 -0.90 0.00 0.00 -2.50 0.00 0.00 54.97 51.97 1nee s GLU 73 Cb -0.10 -2.67 0.00 0.00 0.00 0.00 0.00 34.13 31.36 1nee s GLU 73 CO 0.26 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1nee n GLY 74 N -0.73 -2.26 0.38 -1.50 0.00 -1.26 -2.55 105.19 97.27 1nee n GLY 74 Ca -0.08 -1.01 0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.35 0.00 0.00 -0.02 0.00 -2.02 -3.42 103.07 96.27 1nee h GLY 75 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1nee h GLY 75 CO 0.04 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.45 1nee n ARG 76 N -3.85 1.83 -3.37 4.80 3.00 -1.25 -5.03 116.66 112.80 1nee n ARG 76 Ca 0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.53 1nee n ARG 76 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.00 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 4.32 -2.97 5.13 0.00 -0.97 -4.14 120.51 118.89 1nee n ALA 77 Ca 0.00 -4.69 -0.44 0.00 0.00 0.00 0.00 53.44 48.31 1nee n ALA 77 Cb 0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 -1.87 4.66 0.63 0.00 -1.09 -1.06 -1.28 121.20 121.21 1nee s ILE 78 Ca 0.31 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 1nee s ILE 78 Cb -0.02 -4.67 0.08 0.00 -1.58 0.00 0.00 42.46 36.27 1nee s ILE 78 CO -0.04 -1.38 0.88 -1.48 -1.23 0.00 0.00 174.94 171.70 1nee s LEU 79 N 3.01 3.11 -0.05 2.97 0.05 -0.65 -1.88 118.68 125.23 1nee s LEU 79 Ca 0.23 -0.19 -0.02 0.00 0.05 0.00 0.00 54.13 54.20 1nee s LEU 79 Cb -0.14 -2.42 0.03 0.00 -2.05 0.00 0.00 46.19 41.62 1nee s LEU 79 CO 0.01 -1.50 0.12 -1.10 -0.55 0.00 0.00 176.35 173.33 1nee s GLN 80 N -4.95 0.08 0.00 1.48 -0.21 -1.26 -1.86 119.66 112.93 1nee s GLN 80 Ca 0.62 0.31 0.00 0.00 0.02 0.00 0.00 55.36 56.31 1nee s GLN 80 Cb -0.08 -0.16 0.00 0.00 1.00 0.00 0.00 33.01 33.78 1nee s GLN 80 CO 0.41 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1nee n GLY 81 N 4.03 -0.69 0.00 3.09 0.00 -0.66 -3.04 105.19 107.92 1nee n GLY 81 Ca -0.25 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.75 1.61 4.76 -1.26 -3.71 118.16 115.82 1nee n LYS 82 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 1nee n LYS 82 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1nee n PHE 83 N 0.00 -2.17 -1.01 2.13 3.01 -1.26 -4.56 117.46 113.60 1nee n PHE 83 Ca 0.00 0.89 -0.33 0.00 1.01 0.00 0.00 57.45 59.02 1nee n PHE 83 Cb 0.00 -4.37 -0.03 0.00 -0.01 0.00 0.00 39.48 35.07 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 -4.48 2.46 -3.56 4.37 -2.24 -1.26 -4.26 114.28 105.30 1nee n THR 84 Ca -0.15 -1.73 -0.26 0.00 -2.27 0.00 0.00 64.05 59.64 1nee n THR 84 Cb 0.61 -2.28 0.01 0.00 -2.10 0.00 0.00 70.33 66.57 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 5.46 -1.95 0.00 4.78 -0.00 -1.26 -4.89 115.22 117.36 1nee n HIS 85 Ca 0.50 0.63 0.00 0.00 0.46 0.00 0.00 57.72 59.30 1nee n HIS 85 Cb 0.26 -3.41 0.00 0.00 -0.12 0.00 0.00 29.99 26.72 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 -4.26 0.00 -0.07 1.57 3.72 -1.26 -3.88 117.46 113.29 1nee n PHE 86 Ca -0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1nee n PHE 86 Cb 0.54 -0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1nee h LEU 87 N 0.00 0.39 0.51 4.37 -0.00 -1.90 -2.03 115.31 116.65 1nee h LEU 87 Ca 0.00 -0.38 -0.02 0.00 -0.00 0.00 0.00 57.88 57.48 1nee h LEU 87 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 1nee h LEU 87 CO 0.00 0.68 -0.34 0.40 -0.00 0.00 0.00 178.44 179.17 1nee h ILE 88 N 0.10 0.00 -0.60 1.22 2.04 -1.90 -0.94 117.51 117.42 1nee h ILE 88 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 1nee h ILE 88 Cb 0.51 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 1nee h ILE 88 CO 0.02 0.00 0.20 -1.13 0.00 0.00 0.00 178.15 177.24 1nee h ASN 89 N -0.81 0.17 0.44 1.72 -0.00 -1.67 0.38 115.58 115.81 1nee h ASN 89 Ca -0.07 0.09 -0.01 0.00 -0.00 0.00 0.00 56.30 56.31 1nee h ASN 89 Cb 0.66 0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 39.05 1nee h ASN 89 CO 0.05 0.10 -0.34 -0.08 -0.00 0.00 0.00 177.43 177.16 1nee h GLU 90 N 0.37 -0.74 -0.08 6.67 4.57 -1.29 0.45 114.58 124.54 1nee h GLU 90 Ca 0.31 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1nee h GLU 90 Cb 0.40 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1nee h GLU 90 CO -0.33 -0.49 0.05 -0.09 -1.18 0.00 0.00 179.01 176.97 1nee h ARG 91 N -0.76 0.11 0.59 1.92 9.65 -0.89 -1.19 114.38 123.81 1nee h ARG 91 Ca -0.04 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1nee h ARG 91 Cb 0.66 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1nee h ARG 91 CO 0.00 0.12 -0.39 0.82 2.80 0.00 0.00 179.97 183.32 1nee h ILE 92 N 0.07 0.22 -0.36 1.20 5.03 -0.87 -1.37 117.51 121.43 1nee h ILE 92 Ca 0.03 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.87 1nee h ILE 92 Cb 0.04 0.22 -0.01 0.00 -3.03 0.00 0.00 36.82 34.03 1nee h ILE 92 CO -0.01 0.00 0.40 -0.33 -0.68 0.00 0.00 178.15 177.53 1nee h GLU 93 N -0.93 0.00 -0.39 2.37 5.08 -0.88 0.41 114.58 120.25 1nee h GLU 93 Ca -0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1nee h GLU 93 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1nee h GLU 93 CO 0.06 0.00 -0.24 0.22 -1.00 0.00 0.00 179.01 178.05 1nee h ASP 94 N 0.00 0.88 0.00 1.42 1.82 -0.11 -1.50 116.42 118.94 1nee h ASP 94 Ca 0.17 -0.42 -0.04 0.00 -0.39 0.00 0.00 57.03 56.34 1nee h ASP 94 Cb 0.96 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 1nee h ASP 94 CO -0.00 1.11 -0.51 1.88 -1.61 0.00 0.00 179.24 180.12 1nee h TYR 95 N 0.65 0.00 -0.18 0.28 -1.99 -0.22 -3.06 116.97 112.46 1nee h TYR 95 Ca 0.08 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.86 1nee h TYR 95 Cb 0.81 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.49 1nee h TYR 95 CO 0.06 0.32 -0.13 -0.24 -0.00 0.00 0.00 178.16 178.17 1nee h VAL 96 N -1.00 0.63 -2.09 -2.88 3.04 -0.48 -2.92 116.25 110.55 1nee h VAL 96 Ca -0.06 0.00 -0.69 0.00 -1.01 0.00 0.00 66.70 64.94 1nee h VAL 96 Cb 0.57 0.63 -0.35 0.00 -2.01 0.00 0.00 31.29 30.13 1nee h VAL 96 CO -0.04 0.00 0.17 0.59 -1.01 0.00 0.00 177.57 177.28 1nee n ASN 97 N -5.28 5.96 0.00 3.17 3.02 -0.56 -4.73 115.26 116.83 1nee n ASN 97 Ca -0.02 -3.72 0.09 0.00 -0.03 0.00 0.00 54.58 50.90 1nee n ASN 97 Cb 0.20 -0.82 0.55 0.00 -0.61 0.00 0.00 39.78 39.10 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1nee n LYS 98 N -0.28 0.98 -0.04 3.52 -0.00 -1.11 -3.33 118.16 117.91 1nee n LYS 98 Ca 0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.58 1nee n LYS 98 Cb 0.37 -1.30 -0.12 0.00 -0.00 0.00 0.00 35.03 33.98 1nee n LYS 98 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1nee h PHE 99 N 0.00 0.14 0.00 5.58 0.04 -1.86 -1.84 116.94 118.99 1nee h PHE 99 Ca 0.00 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.58 1nee h PHE 99 Cb 0.00 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1nee h PHE 99 CO 0.00 0.97 -1.08 -0.24 -0.60 0.00 0.00 178.31 177.35 1nee h VAL 100 N -0.73 0.40 0.00 -0.55 3.04 -1.94 1.15 116.25 117.61 1nee h VAL 100 Ca -0.02 -1.71 -0.15 0.00 -1.01 0.00 0.00 66.70 63.80 1nee h VAL 100 Cb 1.02 1.95 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 1nee h VAL 100 CO 0.03 0.23 -0.97 -0.29 -1.01 0.00 0.00 177.57 175.56 1nee h ILE 101 N 0.00 0.64 -0.26 3.17 6.09 -1.70 -3.37 117.51 122.08 1nee h ILE 101 Ca -0.09 -1.80 -0.05 0.00 -1.37 0.00 0.00 64.86 61.56 1nee h ILE 101 Cb 1.37 1.53 -0.03 0.00 0.47 0.00 0.00 36.82 40.16 1nee h ILE 101 CO 0.03 0.22 0.06 0.00 -3.07 0.00 0.00 178.15 175.39 1nee n HIS 103 N 0.15 -2.16 -3.42 0.00 8.25 -1.19 -3.30 115.22 113.54 1nee n HIS 103 Ca 0.14 0.89 -0.23 0.00 -0.26 0.00 0.00 57.72 58.25 1nee n HIS 103 Cb 0.69 -4.27 0.02 0.00 1.12 0.00 0.00 29.99 27.55 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 -4.51 -1.79 -0.76 -0.41 2.13 0.40 -4.77 120.64 110.93 1nee n GLU 104 Ca -0.13 1.34 -0.08 0.00 0.66 0.00 0.00 57.16 58.95 1nee n GLU 104 Cb 0.60 -3.32 -0.11 0.00 0.27 0.00 0.00 31.44 28.88 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 2.31 0.00 -4.75 0.00 2.85 -1.26 -4.82 115.26 109.59 1nee n ASN 106 Ca 0.28 0.33 -0.40 0.00 -0.11 0.00 0.00 54.58 54.67 1nee n ASN 106 Cb 0.71 -0.16 -0.04 0.00 1.24 0.00 0.00 39.78 41.53 1nee n ASN 106 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1nee s ARG 107 N -0.76 4.64 -0.52 1.20 3.52 -1.26 -4.80 118.95 120.96 1nee s ARG 107 Ca 0.00 1.77 -0.25 0.00 -0.13 0.00 0.00 55.73 57.11 1nee s ARG 107 Cb 0.00 -3.22 -0.27 0.00 -1.56 0.00 0.00 34.95 29.91 1nee s ARG 107 CO 0.00 0.19 1.75 -2.30 -0.81 0.00 0.00 175.30 174.13 1nee n PRO 108 N 1.52 0.04 0.00 5.12 -0.02 -1.26 -4.49 135.00 135.91 1nee n PRO 108 Ca -0.00 -1.22 0.12 0.00 -2.02 0.00 0.00 63.50 60.38 1nee n PRO 108 Cb 0.45 -3.02 0.20 0.00 -0.02 0.00 0.00 33.50 31.11 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 13.74 0.88 -3.58 2.55 8.00 -1.26 -4.95 116.55 131.93 1nee n ASP 109 Ca 0.38 -0.68 -0.16 0.00 0.71 0.00 0.00 54.79 55.05 1nee n ASP 109 Cb 0.44 0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.81 0.00 -0.66 -3.53 -4.23 -1.26 -4.90 115.64 98.24 1nee s THR 110 Ca 0.15 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 58.55 1nee s THR 110 Cb 0.18 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1nee s THR 110 CO 0.67 0.00 0.93 -0.13 -0.54 0.00 0.00 174.62 175.54 1nee s ARG 111 N -3.57 3.12 0.16 3.99 0.52 -1.26 -4.97 118.95 116.93 1nee s ARG 111 Ca 0.37 -0.96 -0.27 0.00 -0.52 0.00 0.00 55.73 54.36 1nee s ARG 111 Cb 0.03 -4.26 -0.08 0.00 0.52 0.00 0.00 34.95 31.16 1nee s ARG 111 CO 0.21 -1.77 0.82 0.42 0.02 0.00 0.00 175.30 175.01 1nee s ILE 112 N 3.77 4.35 -0.08 1.52 1.01 -1.26 -4.69 121.20 125.82 1nee s ILE 112 Ca 0.21 1.80 -0.05 0.00 0.00 0.00 0.00 60.65 62.60 1nee s ILE 112 Cb -0.18 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1nee s ILE 112 CO 0.09 0.49 0.20 -0.63 0.00 0.00 0.00 174.94 175.08 1nee s ILE 113 N -0.96 -0.03 -0.06 2.92 1.01 -1.25 -5.03 121.20 117.80 1nee s ILE 113 Ca 0.38 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.10 1nee s ILE 113 Cb -0.23 -0.30 0.04 0.00 0.01 0.00 0.00 42.46 41.97 1nee s ILE 113 CO 0.27 0.04 0.08 -0.60 0.00 0.00 0.00 174.94 174.73 1nee s ARG 114 N 0.78 -0.05 0.07 2.79 3.52 -1.25 -2.31 118.95 122.50 1nee s ARG 114 Ca -0.06 0.36 0.09 0.00 -0.13 0.00 0.00 55.73 55.99 1nee s ARG 114 Cb -0.07 -0.61 -0.03 0.00 -1.56 0.00 0.00 34.95 32.68 1nee s ARG 114 CO -0.04 -0.36 -0.23 -2.00 -0.81 0.00 0.00 175.30 171.85 1nee s GLU 115 N 2.19 1.45 0.00 5.12 2.12 -0.30 -4.74 118.70 124.53 1nee s GLU 115 Ca 0.04 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.28 1nee s GLU 115 Cb -0.12 -1.68 0.00 0.00 0.26 0.00 0.00 34.13 32.59 1nee s GLU 115 CO -0.04 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 1nee n GLY 116 N 1.54 0.90 2.85 -1.50 0.00 -1.26 -1.26 105.19 106.47 1nee n GLY 116 Ca -0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.16 -1.34 -3.12 1.61 0.63 -1.26 -4.10 116.66 106.92 1nee n ARG 117 Ca 0.00 1.16 -0.14 0.00 -0.92 0.00 0.00 57.85 57.95 1nee n ARG 117 Cb 0.00 -5.09 0.06 0.00 0.45 0.00 0.00 32.46 27.88 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1nee n ILE 118 N -2.03 -8.67 0.00 5.15 5.41 -1.26 -4.93 119.36 113.03 1nee n ILE 118 Ca -0.02 -1.25 0.00 0.00 1.00 0.00 0.00 62.75 62.49 1nee n ILE 118 Cb 0.53 -6.31 0.00 0.00 -0.71 0.00 0.00 39.64 33.15 1nee n ILE 118 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1nee n SER 119 N -3.08 0.00 -4.20 4.38 3.41 -1.25 -4.28 113.62 108.59 1nee n SER 119 Ca -0.06 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.29 1nee n SER 119 Cb 0.61 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nee s LEU 120 N -1.44 2.04 -0.22 1.04 1.43 -0.39 -5.00 118.68 116.15 1nee s LEU 120 Ca 0.00 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 1nee s LEU 120 Cb 0.00 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.29 1nee s LEU 120 CO 0.00 0.23 0.62 -0.22 0.23 0.00 0.00 176.35 177.21 1nee s LEU 121 N -0.47 -0.35 0.05 1.79 2.96 -0.96 -1.15 118.68 120.55 1nee s LEU 121 Ca 0.07 1.19 0.07 0.00 -0.22 0.00 0.00 54.13 55.24 1nee s LEU 121 Cb -0.07 2.13 -0.03 0.00 0.50 0.00 0.00 46.19 48.72 1nee s LEU 121 CO -0.01 -0.24 -0.19 -1.59 -1.32 0.00 0.00 176.35 173.01 1nee s LYS 122 N 0.21 1.21 -0.28 1.98 -2.85 -0.98 -2.17 119.74 116.86 1nee s LYS 122 Ca -0.01 -0.91 0.21 0.00 -1.00 0.00 0.00 55.97 54.26 1nee s LYS 122 Cb -0.04 -1.31 0.49 0.00 -2.06 0.00 0.00 37.83 34.91 1nee s LYS 122 CO 0.01 0.33 1.07 0.00 0.10 0.00 0.00 175.35 176.86 1nee h GLU 124 N 2.69 0.00 0.00 0.00 -0.00 -1.87 -2.63 114.58 112.77 1nee h GLU 124 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.22 1nee h GLU 124 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 1nee h GLU 124 CO 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 179.29 1nee n ALA 125 N -2.43 -0.26 -0.74 1.06 0.00 -1.26 -3.59 120.51 113.29 1nee n ALA 125 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.55 1nee n ALA 125 Cb 1.10 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.49 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 1.79 0.41 3.34 0.00 0.00 -1.08 -4.70 105.19 104.95 1nee n GLY 127 Ca 0.19 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.13 0.03 4.61 0.00 -1.13 -3.76 121.76 118.38 1nee s ALA 128 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 1nee s ALA 128 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1nee s ALA 128 CO 0.00 -0.32 0.10 0.15 0.00 0.00 0.00 175.76 175.70 1nee s LYS 129 N -1.40 0.54 -0.58 0.00 -0.14 -1.26 -4.64 119.74 112.25 1nee s LYS 129 Ca -0.12 -0.64 -0.26 0.00 -1.36 0.00 0.00 55.97 53.59 1nee s LYS 129 Cb -0.03 0.22 0.04 0.00 -1.68 0.00 0.00 37.83 36.37 1nee s LYS 129 CO 0.05 -0.13 1.09 0.00 -0.76 0.00 0.00 175.35 175.60 1nee s ALA 130 N -2.16 3.05 0.00 5.17 0.00 -1.02 -4.34 121.76 122.44 1nee s ALA 130 Ca -0.09 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1nee s ALA 130 Cb -0.04 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1nee s ALA 130 CO -0.02 -2.61 0.00 -0.35 0.00 0.00 0.00 175.76 172.78 1nee n PRO 131 N 8.10 0.00 -0.10 0.00 -0.04 -0.92 -2.26 135.00 139.78 1nee n PRO 131 Ca 0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1nee n PRO 131 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.00 1.65 0.00 1.53 -0.00 -1.26 -3.65 117.00 115.27 1nee n LEU 132 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1nee n LEU 132 Cb 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 42.75 1nee n LEU 132 CO 0.00 0.23 0.00 1.17 -0.00 0.00 0.00 177.39 178.79 1nee n LYS 133 N -4.09 0.00 -1.10 1.47 3.00 -1.26 -5.09 118.16 111.08 1nee n LYS 133 Ca -0.35 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.67 1nee n LYS 133 Cb 0.70 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.94 1nee n LYS 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1nee s ASN 134 N 0.00 1.94 0.00 3.14 6.03 -1.26 -5.28 114.94 119.50 1nee s ASN 134 Ca 0.00 1.02 0.26 0.00 -1.03 0.00 0.00 52.86 53.11 1nee s ASN 134 Cb 0.00 -1.58 0.67 0.00 -3.03 0.00 0.00 41.25 37.31 1nee s ASN 134 CO 0.00 -3.54 1.53 1.33 -2.03 0.00 0.00 177.10 174.39