#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 1.52 -3.42 7.83 8.00 -1.26 -4.91 116.55 124.32 1nee n ASP 2 Ca 0.00 -1.09 -0.17 0.00 0.71 0.00 0.00 54.79 54.24 1nee n ASP 2 Cb 0.00 -1.50 0.10 0.00 -0.02 0.00 0.00 41.12 39.71 1nee n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nee n ASP 3 N 16.37 0.45 -4.57 -2.24 8.00 -1.26 -4.93 116.55 128.37 1nee n ASP 3 Ca 0.48 -1.51 -0.39 0.00 0.71 0.00 0.00 54.79 54.07 1nee n ASP 3 Cb 0.41 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 1nee n ASP 3 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1nee s TYR 4 N -2.39 1.11 0.83 1.24 2.02 -1.26 -4.94 117.35 113.95 1nee s TYR 4 Ca 0.45 1.13 -0.14 0.00 -0.37 0.00 0.00 57.07 58.15 1nee s TYR 4 Cb -0.02 -3.73 0.21 0.00 -0.40 0.00 0.00 41.96 38.03 1nee s TYR 4 CO 0.31 -3.20 0.50 0.39 -1.57 0.00 0.00 175.55 171.99 1nee n GLU 5 N 8.91 -3.55 -0.06 -0.62 -0.58 -1.26 -5.02 120.64 118.46 1nee n GLU 5 Ca 0.34 -0.84 -0.12 0.00 -0.42 0.00 0.00 57.16 56.12 1nee n GLU 5 Cb 0.51 -1.07 -0.04 0.00 -0.57 0.00 0.00 31.44 30.27 1nee n GLU 5 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1nee n LYS 6 N -4.12 0.25 -0.53 3.49 5.02 -1.26 -4.97 118.16 116.04 1nee n LYS 6 Ca 0.08 0.10 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1nee n LYS 6 Cb 0.34 -0.95 -0.01 0.00 -0.02 0.00 0.00 35.03 34.39 1nee n LYS 6 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1nee n LEU 7 N -3.45 -0.07 -1.79 -0.35 -0.00 -1.26 -4.99 117.00 105.09 1nee n LEU 7 Ca -0.23 -0.14 -0.14 0.00 -0.00 0.00 0.00 56.01 55.50 1nee n LEU 7 Cb 0.67 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.23 1nee n LEU 7 CO 0.02 0.57 0.99 0.18 -0.00 0.00 0.00 177.39 179.16 1nee n LEU 8 N 0.00 5.40 -4.23 1.47 4.77 -1.26 -4.87 117.00 118.28 1nee n LEU 8 Ca -0.02 -2.84 -0.28 0.00 -0.03 0.00 0.00 56.01 52.84 1nee n LEU 8 Cb 0.28 -0.72 -0.16 0.00 -2.33 0.00 0.00 43.42 40.49 1nee n LEU 8 CO -0.01 0.83 -0.53 -1.83 -1.33 0.00 0.00 177.39 174.52 1nee s GLU 9 N -2.26 1.74 -1.01 3.23 1.03 -1.26 -5.08 118.70 115.09 1nee s GLU 9 Ca 0.39 -0.76 -0.14 0.00 0.03 0.00 0.00 54.97 54.49 1nee s GLU 9 Cb 0.32 -1.68 0.20 0.00 -0.80 0.00 0.00 34.13 32.17 1nee s GLU 9 CO 0.08 0.46 1.10 -0.98 -1.33 0.00 0.00 175.26 174.59 1nee s ARG 10 N -0.49 3.86 -0.06 -4.83 3.03 -1.26 -4.51 118.95 114.69 1nee s ARG 10 Ca 0.08 -2.49 0.02 0.00 2.03 0.00 0.00 55.73 55.37 1nee s ARG 10 Cb -0.08 -4.74 0.07 0.00 -1.03 0.00 0.00 34.95 29.18 1nee s ARG 10 CO -0.01 -1.52 0.77 0.00 -1.13 0.00 0.00 175.30 173.41 1nee n ALA 11 N 4.74 1.50 -2.00 7.88 0.00 -1.26 -4.47 120.51 126.90 1nee n ALA 11 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1nee n ALA 11 Cb 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.28 0.00 0.04 0.00 5.41 -1.26 -4.84 119.36 118.42 1nee n ILE 12 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1nee n ILE 12 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 1nee n ILE 12 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1nee n ASP 13 N 0.00 0.68 0.09 4.38 -0.08 -1.26 -4.66 116.55 115.70 1nee n ASP 13 Ca 0.00 0.12 -0.05 0.00 -1.51 0.00 0.00 54.79 53.35 1nee n ASP 13 Cb 0.00 -0.19 -0.02 0.00 2.34 0.00 0.00 41.12 43.26 1nee n ASP 13 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1nee h GLN 14 N 0.00 0.00 -6.94 -0.67 4.15 -2.02 -3.46 115.11 106.17 1nee h GLN 14 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 1nee h GLN 14 Cb 0.00 0.00 0.17 0.00 0.21 0.00 0.00 27.48 27.86 1nee h GLN 14 CO 0.00 0.86 0.22 1.28 -1.93 0.00 0.00 178.83 179.26 1nee n LEU 15 N -3.49 4.28 -4.68 -2.39 7.99 -1.26 -4.84 117.00 112.61 1nee n LEU 15 Ca -0.00 0.76 -0.50 0.00 -0.01 0.00 0.00 56.01 56.26 1nee n LEU 15 Cb 0.83 -1.44 -0.05 0.00 -0.11 0.00 0.00 43.42 42.65 1nee n LEU 15 CO 0.45 -1.70 1.41 -0.81 -1.51 0.00 0.00 177.39 175.23 1nee n PRO 16 N -1.53 1.96 -1.72 3.23 -0.04 -1.26 -4.64 135.00 131.00 1nee n PRO 16 Ca 0.14 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 1nee n PRO 16 Cb 0.48 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 1nee n PRO 16 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nee s PRO 17 N 3.53 4.13 0.00 0.54 0.04 -1.26 -4.33 135.00 137.64 1nee s PRO 17 Ca 0.92 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.57 1nee s PRO 17 Cb -0.77 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1nee s PRO 17 CO 0.53 -0.80 0.00 -1.91 0.04 0.00 0.00 177.00 174.85 1nee n GLU 18 N 4.83 0.00 -3.33 4.56 2.13 -1.26 -5.09 120.64 122.48 1nee n GLU 18 Ca 0.17 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.61 1nee n GLU 18 Cb 0.37 -0.19 -0.06 0.00 0.27 0.00 0.00 31.44 31.82 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 -1.32 5.19 -1.17 6.31 1.01 -1.26 -4.97 120.40 124.19 1nee s VAL 19 Ca 0.00 0.89 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 1nee s VAL 19 Cb 0.00 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 1nee s VAL 19 CO 0.00 0.31 2.57 2.22 0.00 0.00 0.00 175.10 180.20 1nee n PHE 20 N 3.85 1.74 -4.04 5.22 -1.74 -1.26 -4.81 117.46 116.43 1nee n PHE 20 Ca -0.07 -2.42 -0.09 0.00 -0.56 0.00 0.00 57.45 54.31 1nee n PHE 20 Cb 0.51 -2.03 -0.09 0.00 1.52 0.00 0.00 39.48 39.40 1nee n PHE 20 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1nee s GLU 21 N 2.68 0.86 0.00 3.97 0.41 -1.26 -4.99 118.70 120.38 1nee s GLU 21 Ca 0.54 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1nee s GLU 21 Cb 0.15 0.28 0.00 0.00 -1.78 0.00 0.00 34.13 32.78 1nee s GLU 21 CO -0.04 -0.25 0.00 -2.37 -0.49 0.00 0.00 175.26 172.11 1nee n THR 22 N -0.05 0.00 -0.86 3.63 5.66 -1.26 -4.97 114.28 116.43 1nee n THR 22 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1nee n THR 22 Cb 0.62 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 1nee n THR 22 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1nee n LYS 23 N -0.88 -0.10 0.00 1.09 5.02 -1.26 -4.90 118.16 117.14 1nee n LYS 23 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1nee n LYS 23 Cb 0.00 0.00 0.43 0.00 -0.02 0.00 0.00 35.03 35.44 1nee n LYS 23 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1nee n ARG 24 N -1.02 0.72 -2.59 1.97 3.00 -1.26 -4.69 116.66 112.80 1nee n ARG 24 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1nee n ARG 24 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 32.46 31.12 1nee n ARG 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1nee s PHE 25 N -2.00 2.58 -0.30 -0.14 0.08 -1.26 -4.94 117.98 112.00 1nee s PHE 25 Ca 0.22 0.33 -0.03 0.00 0.12 0.00 0.00 56.93 57.57 1nee s PHE 25 Cb 0.10 -4.50 0.17 0.00 -0.57 0.00 0.00 43.02 38.22 1nee s PHE 25 CO 0.17 -1.63 0.60 -1.83 -0.10 0.00 0.00 175.22 172.43 1nee s GLU 26 N 4.98 0.56 -0.36 0.44 4.04 -1.26 -5.05 118.70 122.04 1nee s GLU 26 Ca 0.41 1.09 0.13 0.00 0.04 0.00 0.00 54.97 56.65 1nee s GLU 26 Cb -0.08 0.59 0.42 0.00 0.02 0.00 0.00 34.13 35.08 1nee s GLU 26 CO 0.24 -0.52 1.18 1.55 -1.84 0.00 0.00 175.26 175.87 1nee n VAL 27 N 5.43 0.47 -1.47 1.83 3.14 -1.26 -5.10 118.33 121.37 1nee n VAL 27 Ca -0.04 -2.21 -0.47 0.00 -2.96 0.00 0.00 64.34 58.66 1nee n VAL 27 Cb 0.50 0.86 -0.07 0.00 -1.06 0.00 0.00 33.84 34.07 1nee n VAL 27 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1nee n PRO 28 N -0.38 1.02 -2.29 1.45 -0.02 -1.26 -4.76 135.00 128.76 1nee n PRO 28 Ca 0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1nee n PRO 28 Cb 0.84 -2.56 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 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 8.39 1.05 -3.89 -0.52 3.00 -1.26 -5.02 118.16 119.91 1nee n LYS 29 Ca 0.42 -2.49 -0.30 0.00 -0.00 0.00 0.00 58.31 55.94 1nee n LYS 29 Cb 0.27 -0.65 -0.14 0.00 0.00 0.00 0.00 35.03 34.52 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nee s ALA 30 N -1.79 3.12 -0.28 3.14 0.00 -1.26 -4.90 121.76 119.78 1nee s ALA 30 Ca 0.23 -3.20 -0.24 0.00 0.00 0.00 0.00 51.96 48.75 1nee s ALA 30 Cb 0.33 -2.10 0.13 0.00 0.00 0.00 0.00 23.12 21.48 1nee s ALA 30 CO -0.09 -2.04 1.06 1.52 0.00 0.00 0.00 175.76 176.22 1nee s TYR 31 N -0.31 -0.45 0.04 0.00 -0.85 -1.26 -4.79 117.35 109.74 1nee s TYR 31 Ca 0.18 1.07 -0.01 0.00 -0.52 0.00 0.00 57.07 57.79 1nee s TYR 31 Cb -0.23 0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.50 1nee s TYR 31 CO -0.02 -0.22 0.03 -1.13 -1.52 0.00 0.00 175.55 172.69 1nee n SER 32 N 2.37 -1.57 -3.83 -0.18 3.41 -1.26 -4.78 113.62 107.78 1nee n SER 32 Ca -0.13 -0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.09 1nee n SER 32 Cb 0.56 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 1nee n SER 32 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1nee s VAL 33 N -1.05 -0.01 -0.19 -3.33 -7.23 -1.24 -4.69 120.40 102.65 1nee s VAL 33 Ca 0.02 0.04 -0.23 0.00 -1.81 0.00 0.00 61.98 60.00 1nee s VAL 33 Cb -0.00 -0.10 -0.02 0.00 0.56 0.00 0.00 36.38 36.82 1nee s VAL 33 CO 0.02 0.01 0.73 -0.51 -0.31 0.00 0.00 175.10 175.04 1nee s ILE 34 N 0.23 4.95 -0.29 -0.62 -1.16 -1.26 -1.43 121.20 121.62 1nee s ILE 34 Ca -0.02 1.39 -0.02 0.00 -0.51 0.00 0.00 60.65 61.49 1nee s ILE 34 Cb -0.03 -4.03 0.09 0.00 0.61 0.00 0.00 42.46 39.11 1nee s ILE 34 CO -0.01 0.06 0.10 -1.10 -2.81 0.00 0.00 174.94 171.18 1nee s GLN 35 N 2.11 0.51 0.03 3.50 1.11 0.05 -5.00 119.66 121.97 1nee s GLN 35 Ca 0.33 -0.79 0.00 0.00 0.01 0.00 0.00 55.36 54.91 1nee s GLN 35 Cb -0.16 -1.71 0.00 0.00 -1.01 0.00 0.00 33.01 30.13 1nee s GLN 35 CO 0.11 -0.95 0.00 0.41 0.01 0.00 0.00 175.29 174.87 1nee n GLY 36 N 5.02 0.58 0.75 3.09 0.00 -1.26 -0.82 105.19 112.55 1nee n GLY 36 Ca -0.04 0.71 -0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 1.53 0.07 -4.08 1.61 4.05 -1.26 -5.11 115.26 112.06 1nee n ASN 37 Ca 0.00 -1.73 -0.11 0.00 0.45 0.00 0.00 54.58 53.19 1nee n ASN 37 Cb 0.00 -0.11 -0.11 0.00 1.23 0.00 0.00 39.78 40.80 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nee s ARG 38 N 0.00 0.59 -0.15 1.20 3.03 0.00 0.25 118.95 123.88 1nee s ARG 38 Ca 0.06 -0.96 -0.04 0.00 2.03 0.00 0.00 55.73 56.82 1nee s ARG 38 Cb 0.07 -0.14 -0.03 0.00 -1.03 0.00 0.00 34.95 33.83 1nee s ARG 38 CO -0.03 -0.01 -0.01 -0.08 -1.13 0.00 0.00 175.30 174.04 1nee s THR 39 N -2.38 4.11 -1.05 4.99 -1.32 -0.82 -0.77 115.64 118.40 1nee s THR 39 Ca -0.02 -0.28 -0.06 0.00 -1.21 0.00 0.00 61.69 60.12 1nee s THR 39 Cb -0.03 -2.81 0.27 0.00 -1.51 0.00 0.00 72.50 68.43 1nee s THR 39 CO -0.03 0.50 1.12 0.49 -2.21 0.00 0.00 174.62 174.50 1nee n PHE 40 N 3.40 4.29 -2.33 9.09 3.01 -0.51 -0.59 117.46 133.82 1nee n PHE 40 Ca -0.17 -3.65 -0.42 0.00 1.01 0.00 0.00 57.45 54.21 1nee n PHE 40 Cb 0.52 -1.44 -0.03 0.00 -0.01 0.00 0.00 39.48 38.53 1nee n PHE 40 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1nee s ILE 41 N -1.72 3.92 -0.08 4.37 1.10 -0.72 -3.73 121.20 124.33 1nee s ILE 41 Ca 0.31 1.30 0.06 0.00 -0.51 0.00 0.00 60.65 61.81 1nee s ILE 41 Cb -0.05 -3.83 -0.09 0.00 0.15 0.00 0.00 42.46 38.63 1nee s ILE 41 CO -0.04 0.02 0.02 0.00 -2.11 0.00 0.00 174.94 172.82 1nee n GLN 42 N 5.07 2.52 -1.33 3.50 10.64 -1.26 -2.17 117.38 134.36 1nee n GLN 42 Ca 0.12 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.95 1nee n GLN 42 Cb 0.45 -1.20 0.09 0.00 -0.86 0.00 0.00 30.24 28.71 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 -2.33 7.34 -0.07 2.61 3.02 -1.26 -4.69 115.26 119.88 1nee n ASN 43 Ca -0.13 -3.77 0.24 0.00 -0.03 0.00 0.00 54.58 50.89 1nee n ASN 43 Cb 0.75 -0.96 0.58 0.00 -0.61 0.00 0.00 39.78 39.53 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1nee h PHE 44 N 1.91 0.00 0.00 3.10 -0.00 -1.96 1.06 116.94 121.05 1nee h PHE 44 Ca 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.56 1nee h PHE 44 Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.94 1nee h PHE 44 CO 1.45 0.00 -0.20 -0.09 -0.00 0.00 0.00 178.31 179.47 1nee h ARG 45 N 0.00 0.00 -0.63 6.09 1.12 -1.97 -0.75 114.38 118.24 1nee h ARG 45 Ca 0.35 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.22 1nee h ARG 45 Cb 2.09 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 32.02 1nee h ARG 45 CO -0.00 0.29 0.38 1.49 -3.11 0.00 0.00 179.97 179.01 1nee h GLU 46 N -1.00 0.85 -0.43 0.20 4.81 -1.48 -2.21 114.58 115.33 1nee h GLU 46 Ca -0.03 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 1nee h GLU 46 Cb 0.41 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1nee h GLU 46 CO -0.02 0.61 -0.26 0.28 -0.73 0.00 0.00 179.01 178.89 1nee h VAL 47 N 0.85 1.27 -0.67 0.32 2.07 0.92 -2.65 116.25 118.36 1nee h VAL 47 Ca 0.22 -1.42 0.08 0.00 0.82 0.00 0.00 66.70 66.41 1nee h VAL 47 Cb -0.02 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1nee h VAL 47 CO -0.04 0.48 0.44 0.00 0.02 0.00 0.00 177.57 178.47 1nee h ALA 48 N 0.93 1.83 0.01 1.67 0.00 -0.55 -0.93 119.26 122.22 1nee h ALA 48 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nee h ALA 48 Cb 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1nee h ALA 48 CO 0.07 0.04 -0.01 0.22 0.00 0.00 0.00 179.25 179.57 1nee h ASP 49 N 0.61 -0.02 -0.45 0.00 1.82 -1.28 -2.53 116.42 114.58 1nee h ASP 49 Ca 0.30 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 57.03 1nee h ASP 49 Cb 0.39 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.30 1nee h ASP 49 CO -0.10 0.17 -0.27 0.00 -1.61 0.00 0.00 179.24 177.44 1nee h ALA 50 N -1.62 -0.01 -0.51 -0.78 0.00 -1.50 0.56 119.26 115.41 1nee h ALA 50 Ca -0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1nee h ALA 50 Cb 0.02 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1nee h ALA 50 CO 0.00 -0.63 -0.03 1.25 0.00 0.00 0.00 179.25 179.84 1nee h LEU 51 N -0.18 0.86 -6.23 0.00 5.85 -1.36 -3.35 115.31 110.90 1nee h LEU 51 Ca 0.20 -0.23 -0.27 0.00 0.84 0.00 0.00 57.88 58.42 1nee h LEU 51 Cb 0.50 -0.23 -0.27 0.00 0.37 0.00 0.00 40.66 41.03 1nee h LEU 51 CO -0.55 0.93 -0.61 0.21 -0.34 0.00 0.00 178.44 178.08 1nee s ASN 52 N -6.63 0.27 0.07 1.25 3.84 -0.39 -4.76 114.94 108.58 1nee s ASN 52 Ca -0.10 -1.33 -0.02 0.00 0.21 0.00 0.00 52.86 51.61 1nee s ASN 52 Cb 0.14 1.02 0.12 0.00 -0.55 0.00 0.00 41.25 41.98 1nee s ASN 52 CO 0.83 -0.23 0.40 0.54 -2.79 0.00 0.00 177.10 175.85 1nee n ARG 53 N 4.28 -0.02 -3.28 0.43 1.74 0.18 -3.97 116.66 116.02 1nee n ARG 53 Ca 0.11 0.40 -0.39 0.00 -0.77 0.00 0.00 57.85 57.21 1nee n ARG 53 Cb 0.49 -0.60 -0.06 0.00 -1.02 0.00 0.00 32.46 31.27 1nee n ARG 53 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nee s ASP 54 N -5.07 7.04 0.25 0.55 2.15 -1.26 -4.66 116.67 115.67 1nee s ASP 54 Ca -0.04 1.23 0.06 0.00 0.43 0.00 0.00 52.55 54.23 1nee s ASP 54 Cb 0.07 -2.35 0.30 0.00 -0.30 0.00 0.00 42.92 40.64 1nee s ASP 54 CO 0.20 0.26 1.59 1.55 -0.17 0.00 0.00 175.17 178.60 1nee h PRO 55 N 4.69 0.19 -0.52 4.34 0.13 -1.84 -3.05 132.00 135.94 1nee h PRO 55 Ca -0.49 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.48 1nee h PRO 55 Cb 1.21 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1nee h PRO 55 CO 0.64 0.72 0.20 1.96 -0.23 0.00 0.00 178.00 181.29 1nee h GLN 56 N 0.14 0.75 0.40 0.86 7.50 -1.94 -2.05 115.11 120.77 1nee h GLN 56 Ca -0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 58.65 59.02 1nee h GLN 56 Cb 1.07 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.47 1nee h GLN 56 CO 0.09 0.62 -0.19 1.25 -1.50 0.00 0.00 178.83 179.10 1nee h HIS 57 N 0.74 -0.50 -1.08 2.96 2.76 -1.87 -2.83 115.15 115.33 1nee h HIS 57 Ca 0.18 -0.01 0.30 0.00 -2.20 0.00 0.00 60.37 58.64 1nee h HIS 57 Cb 0.16 0.16 -0.11 0.00 1.55 0.00 0.00 27.41 29.17 1nee h HIS 57 CO 0.01 -0.31 0.68 1.25 -1.30 0.00 0.00 177.93 178.26 1nee h LEU 58 N -0.86 0.45 0.83 0.26 6.46 -1.54 -0.67 115.31 120.24 1nee h LEU 58 Ca -0.05 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1nee h LEU 58 Cb 0.41 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1nee h LEU 58 CO 0.09 0.01 -0.46 0.25 -0.62 0.00 0.00 178.44 177.71 1nee h LEU 59 N 0.35 -1.13 -2.09 2.25 5.85 -1.37 0.16 115.31 119.33 1nee h LEU 59 Ca 0.66 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.49 1nee h LEU 59 Cb 1.68 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 1nee h LEU 59 CO -0.38 -0.74 0.14 0.07 -0.34 0.00 0.00 178.44 177.19 1nee h LYS 60 N -1.19 0.00 -0.14 1.25 2.10 -0.93 -1.95 116.57 115.71 1nee h LYS 60 Ca -0.11 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.48 1nee h LYS 60 Cb 0.94 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1nee h LYS 60 CO 0.15 0.00 -0.15 0.35 -2.00 0.00 0.00 179.45 177.79 1nee h PHE 61 N 0.00 0.42 -0.76 0.07 3.04 -0.63 0.14 116.94 119.23 1nee h PHE 61 Ca 0.09 -0.13 0.06 0.00 3.98 0.00 0.00 57.97 61.96 1nee h PHE 61 Cb 0.37 -0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.74 1nee h PHE 61 CO 0.00 0.75 0.45 -0.07 -2.02 0.00 0.00 178.31 177.43 1nee h LEU 62 N -0.03 0.70 0.00 0.59 4.07 -0.20 -1.42 115.31 119.01 1nee h LEU 62 Ca 0.02 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1nee h LEU 62 Cb 0.69 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1nee h LEU 62 CO 0.04 0.46 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.47 1nee h LEU 63 N 0.84 0.00 -0.24 1.67 -0.00 -1.50 -2.59 115.31 113.50 1nee h LEU 63 Ca 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1nee h LEU 63 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1nee h LEU 63 CO -0.17 0.07 0.04 -0.09 -0.00 0.00 0.00 178.44 178.29 1nee h ARG 64 N 0.00 0.39 0.00 1.13 1.12 0.35 -3.08 114.38 114.30 1nee h ARG 64 Ca -0.01 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 58.76 1nee h ARG 64 Cb 1.06 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 1nee h ARG 64 CO 0.01 0.53 -0.68 -1.91 -3.11 0.00 0.00 179.97 174.81 1nee n GLU 65 N -4.70 0.29 -2.67 0.20 4.07 -0.88 -4.64 120.64 112.30 1nee n GLU 65 Ca -0.04 0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.71 1nee n GLU 65 Cb 0.20 -1.67 -0.02 0.00 -0.06 0.00 0.00 31.44 29.89 1nee n GLU 65 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1nee s LEU 66 N -4.17 4.06 0.00 4.31 1.02 -0.98 -4.13 118.68 118.80 1nee s LEU 66 Ca 0.06 -2.08 0.00 0.00 0.02 0.00 0.00 54.13 52.13 1nee s LEU 66 Cb 0.14 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.82 1nee s LEU 66 CO 0.73 -1.23 0.41 0.61 0.02 0.00 0.00 176.35 176.89 1nee n GLY 67 N 5.81 1.12 3.43 -3.19 0.00 -1.26 -4.76 105.19 106.33 1nee n GLY 67 Ca 0.37 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.03 1.14 0.02 2.61 -4.23 -1.26 -5.03 115.64 107.85 1nee s THR 68 Ca 0.00 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1nee s THR 68 Cb 0.00 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1nee s THR 68 CO 0.00 -0.04 0.13 0.00 -0.54 0.00 0.00 174.62 174.17 1nee n ALA 69 N -0.64 -0.03 -2.14 3.99 0.00 -1.26 -4.85 120.51 115.58 1nee n ALA 69 Ca -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1nee n ALA 69 Cb 0.66 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1nee n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nee n GLY 70 N -1.03 -4.55 3.65 0.00 0.00 -1.24 -5.01 105.19 97.01 1nee n GLY 70 Ca 0.01 0.84 -0.07 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.42 -0.32 -0.32 1.61 2.47 -1.26 -4.90 114.94 111.80 1nee s ASN 71 Ca -0.16 -0.26 -0.25 0.00 0.42 0.00 0.00 52.86 52.61 1nee s ASN 71 Cb 0.01 0.53 0.01 0.00 -1.45 0.00 0.00 41.25 40.35 1nee s ASN 71 CO 0.42 -0.93 0.87 -0.76 -3.72 0.00 0.00 177.10 172.99 1nee s LEU 72 N -2.78 4.05 0.08 3.21 1.02 -1.26 -2.48 118.68 120.51 1nee s LEU 72 Ca 0.08 0.72 0.02 0.00 0.02 0.00 0.00 54.13 54.97 1nee s LEU 72 Cb -0.02 -3.21 -0.04 0.00 0.02 0.00 0.00 46.19 42.94 1nee s LEU 72 CO -0.03 -0.72 0.12 -1.61 0.02 0.00 0.00 176.35 174.14 1nee s GLU 73 N 3.19 3.04 0.56 1.70 8.01 0.50 -4.70 118.70 131.01 1nee s GLU 73 Ca 0.36 -0.63 0.00 0.00 0.01 0.00 0.00 54.97 54.71 1nee s GLU 73 Cb -0.13 -2.81 0.00 0.00 -4.31 0.00 0.00 34.13 26.88 1nee s GLU 73 CO 0.14 0.57 0.00 0.41 0.01 0.00 0.00 175.26 176.39 1nee n GLY 74 N 0.35 -1.83 0.32 -1.39 0.00 -1.26 -2.23 105.19 99.15 1nee n GLY 74 Ca -0.08 -1.22 0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.81 0.54 0.00 -0.02 0.00 -2.02 -3.43 103.07 97.33 1nee h GLY 75 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1nee h GLY 75 CO 0.01 0.16 0.00 -0.96 0.00 0.00 0.00 176.54 175.75 1nee n ARG 76 N -4.48 2.24 -3.48 4.80 1.85 -1.26 -5.02 116.66 111.31 1nee n ARG 76 Ca 0.05 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.51 1nee n ARG 76 Cb 0.16 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.53 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 4.07 -3.10 2.89 0.00 -0.92 -4.22 120.51 116.23 1nee n ALA 77 Ca 0.00 -4.65 -0.45 0.00 0.00 0.00 0.00 53.44 48.34 1nee n ALA 77 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 -1.52 5.02 0.82 0.00 1.01 -0.95 -1.75 121.20 123.84 1nee s ILE 78 Ca 0.30 -1.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.10 1nee s ILE 78 Cb -0.06 -4.61 0.19 0.00 0.01 0.00 0.00 42.46 37.99 1nee s ILE 78 CO -0.09 -1.27 1.09 0.00 0.00 0.00 0.00 174.94 174.67 1nee n LEU 79 N 5.70 0.00 -3.92 2.97 -0.00 0.25 -0.37 117.00 121.63 1nee n LEU 79 Ca 0.13 -1.19 -0.13 0.00 -0.00 0.00 0.00 56.01 54.81 1nee n LEU 79 Cb 0.47 -0.84 -0.14 0.00 -0.00 0.00 0.00 43.42 42.91 1nee n LEU 79 CO 0.47 -1.33 -0.38 -1.58 -0.00 0.00 0.00 177.39 174.58 1nee s GLN 80 N -5.38 0.20 0.00 1.47 0.74 -1.26 -1.94 119.66 113.48 1nee s GLN 80 Ca 0.62 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.89 1nee s GLN 80 Cb -0.02 -0.15 0.00 0.00 1.10 0.00 0.00 33.01 33.94 1nee s GLN 80 CO 0.44 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.63 1nee n GLY 81 N 2.87 1.21 0.00 2.59 0.00 0.14 -3.65 105.19 108.35 1nee n GLY 81 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 2.04 -3.24 1.61 3.00 -1.26 -4.56 118.16 115.76 1nee n LYS 82 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1nee n LYS 82 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.11 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 0.00 -1.93 -2.31 5.64 3.01 -1.26 -4.54 117.46 116.07 1nee n PHE 83 Ca 0.00 0.80 -0.43 0.00 1.01 0.00 0.00 57.45 58.84 1nee n PHE 83 Cb 0.00 -4.60 0.00 0.00 -0.01 0.00 0.00 39.48 34.87 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 -3.77 3.86 -3.71 4.37 -2.24 -1.26 -4.44 114.28 107.09 1nee n THR 84 Ca -0.22 -3.84 -0.26 0.00 -2.27 0.00 0.00 64.05 57.46 1nee n THR 84 Cb 0.63 -2.45 -0.04 0.00 -2.10 0.00 0.00 70.33 66.37 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 6.84 -1.54 0.00 4.78 1.44 -1.26 -4.82 115.22 120.66 1nee n HIS 85 Ca 0.48 0.44 0.00 0.00 -2.01 0.00 0.00 57.72 56.63 1nee n HIS 85 Cb 0.42 -1.79 0.00 0.00 0.12 0.00 0.00 29.99 28.75 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 -3.55 0.00 -0.07 -1.40 7.35 -1.26 -4.07 117.46 114.46 1nee n PHE 86 Ca 0.06 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.60 1nee n PHE 86 Cb 0.48 -0.13 -0.06 0.00 0.35 0.00 0.00 39.48 40.13 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1nee h LEU 87 N 0.00 0.79 0.40 -2.13 4.07 -1.91 -2.60 115.31 113.92 1nee h LEU 87 Ca 0.00 -0.54 -0.01 0.00 0.08 0.00 0.00 57.88 57.40 1nee h LEU 87 Cb 0.00 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 1nee h LEU 87 CO 0.00 1.19 -0.36 0.40 -1.08 0.00 0.00 178.44 178.58 1nee h ILE 88 N 0.42 0.00 -0.93 1.22 2.04 -1.91 -0.56 117.51 117.79 1nee h ILE 88 Ca 0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.00 1nee h ILE 88 Cb 1.05 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.04 1nee h ILE 88 CO 0.10 0.00 0.55 -1.13 0.00 0.00 0.00 178.15 177.67 1nee h ASN 89 N -0.75 0.76 0.68 1.72 -0.73 -1.71 -1.34 115.58 114.22 1nee h ASN 89 Ca -0.05 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.15 1nee h ASN 89 Cb 0.64 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.16 1nee h ASN 89 CO -0.02 0.38 -0.34 -0.33 -0.37 0.00 0.00 177.43 176.74 1nee h GLU 90 N 0.83 -0.90 -0.31 6.67 5.08 -1.18 -0.93 114.58 123.84 1nee h GLU 90 Ca 0.48 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.95 1nee h GLU 90 Cb 0.56 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1nee h GLU 90 CO -0.30 -0.60 0.05 0.00 -1.00 0.00 0.00 179.01 177.15 1nee h ARG 91 N -0.93 0.15 0.35 2.33 3.08 -0.79 -2.20 114.38 116.36 1nee h ARG 91 Ca -0.09 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1nee h ARG 91 Cb 0.72 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1nee h ARG 91 CO 0.14 0.10 -0.40 0.82 -1.07 0.00 0.00 179.97 179.56 1nee h ILE 92 N 0.15 0.19 -0.87 2.04 2.04 -1.18 -1.02 117.51 118.85 1nee h ILE 92 Ca 0.15 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.26 1nee h ILE 92 Cb 0.17 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1nee h ILE 92 CO -0.21 0.00 0.67 -0.33 0.00 0.00 0.00 178.15 178.29 1nee h GLU 93 N -0.79 0.00 -0.04 2.37 3.07 -0.99 0.80 114.58 118.99 1nee h GLU 93 Ca -0.02 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.67 1nee h GLU 93 Cb 0.72 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1nee h GLU 93 CO -0.09 0.00 -0.70 0.22 -1.40 0.00 0.00 179.01 177.04 1nee h ASP 94 N 0.00 0.27 0.00 1.42 3.58 -0.57 -1.49 116.42 119.63 1nee h ASP 94 Ca 0.42 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 1nee h ASP 94 Cb 1.76 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 1nee h ASP 94 CO -0.00 0.88 -0.36 0.22 -2.88 0.00 0.00 179.24 177.10 1nee h TYR 95 N 0.15 0.00 -0.96 0.28 5.03 0.12 -2.98 116.97 118.61 1nee h TYR 95 Ca -0.02 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.31 1nee h TYR 95 Cb 1.25 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.48 1nee h TYR 95 CO 0.02 0.04 0.63 -0.39 -1.32 0.00 0.00 178.16 177.15 1nee h VAL 96 N -1.00 1.21 -1.80 1.81 -1.51 -0.75 -2.81 116.25 111.41 1nee h VAL 96 Ca -0.01 -0.43 -0.68 0.00 -1.23 0.00 0.00 66.70 64.35 1nee h VAL 96 Cb 0.37 -0.17 -0.35 0.00 -2.13 0.00 0.00 31.29 29.01 1nee h VAL 96 CO -0.00 0.23 0.13 0.59 -1.23 0.00 0.00 177.57 177.28 1nee n ASN 97 N -4.44 6.03 0.01 4.19 3.02 -0.56 -4.68 115.26 118.83 1nee n ASN 97 Ca 0.12 -3.77 0.14 0.00 -0.03 0.00 0.00 54.58 51.04 1nee n ASN 97 Cb 0.05 -0.76 0.60 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.48 0.03 -0.05 3.52 2.85 -1.06 -2.44 118.16 120.53 1nee n LYS 98 Ca 0.45 0.02 -0.12 0.00 -1.05 0.00 0.00 58.31 57.61 1nee n LYS 98 Cb 0.44 -1.53 -0.11 0.00 -0.65 0.00 0.00 35.03 33.19 1nee n LYS 98 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1nee h PHE 99 N 0.00 -0.02 -0.01 5.58 -0.00 -1.86 -2.08 116.94 118.55 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 0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.48 1nee h PHE 99 CO 0.00 0.75 -0.21 1.55 -0.00 0.00 0.00 178.31 180.40 1nee n VAL 100 N -4.69 0.00 -0.12 0.88 3.14 -1.25 0.14 118.33 116.43 1nee n VAL 100 Ca -0.09 -0.10 -0.26 0.00 -2.96 0.00 0.00 64.34 60.93 1nee n VAL 100 Cb 0.38 0.21 -0.09 0.00 -1.06 0.00 0.00 33.84 33.28 1nee n VAL 100 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nee n ILE 101 N -0.78 1.35 -0.65 1.55 0.13 -1.02 -4.54 119.36 115.41 1nee n ILE 101 Ca 0.13 -0.35 -0.07 0.00 -1.10 0.00 0.00 62.75 61.36 1nee n ILE 101 Cb 0.32 -1.81 0.02 0.00 -0.84 0.00 0.00 39.64 37.33 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1nee n HIS 103 N 1.00 -1.65 -3.64 0.00 8.25 -1.26 -2.16 115.22 115.77 1nee n HIS 103 Ca 0.13 0.76 -0.22 0.00 -0.26 0.00 0.00 57.72 58.12 1nee n HIS 103 Cb 0.54 -3.29 0.01 0.00 1.12 0.00 0.00 29.99 28.36 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 -4.41 -1.31 -0.51 -0.41 0.28 0.37 -4.75 120.64 109.89 1nee n GLU 104 Ca -0.14 0.81 -0.05 0.00 -0.16 0.00 0.00 57.16 57.63 1nee n GLU 104 Cb 0.60 -3.39 -0.06 0.00 1.43 0.00 0.00 31.44 30.01 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 2.26 0.00 -4.72 0.00 5.15 -1.26 -4.81 115.26 111.88 1nee n ASN 106 Ca 0.16 0.47 -0.42 0.00 -0.60 0.00 0.00 54.58 54.19 1nee n ASN 106 Cb 0.48 -0.32 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 1nee n ASN 106 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1nee s ARG 107 N -1.13 4.50 -0.62 1.20 0.52 -1.26 -4.89 118.95 117.28 1nee s ARG 107 Ca 0.00 1.72 -0.23 0.00 -0.52 0.00 0.00 55.73 56.70 1nee s ARG 107 Cb 0.00 -3.33 -0.23 0.00 0.52 0.00 0.00 34.95 31.90 1nee s ARG 107 CO 0.00 -0.12 1.76 -2.30 0.02 0.00 0.00 175.30 174.66 1nee n PRO 108 N 3.38 0.05 0.00 3.54 -0.02 -1.26 -4.50 135.00 136.19 1nee n PRO 108 Ca 0.06 -1.23 0.11 0.00 -2.02 0.00 0.00 63.50 60.42 1nee n PRO 108 Cb 0.47 -3.06 -0.01 0.00 -0.02 0.00 0.00 33.50 30.88 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 14.45 0.89 -3.90 2.55 8.00 -1.26 -4.97 116.55 132.31 1nee n ASP 109 Ca 0.35 -0.80 -0.19 0.00 0.71 0.00 0.00 54.79 54.86 1nee n ASP 109 Cb 0.45 0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 42.22 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 -2.98 0.27 -0.68 -3.53 -4.23 -1.26 -4.98 115.64 98.25 1nee s THR 110 Ca 0.09 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.39 1nee s THR 110 Cb 0.17 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.59 1nee s THR 110 CO 0.81 0.00 0.93 -0.13 -0.54 0.00 0.00 174.62 175.69 1nee s ARG 111 N -3.76 3.15 -0.01 3.99 0.52 -1.26 -5.02 118.95 116.55 1nee s ARG 111 Ca 0.36 -1.03 -0.06 0.00 -0.52 0.00 0.00 55.73 54.48 1nee s ARG 111 Cb 0.04 -4.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.16 1nee s ARG 111 CO 0.19 -1.76 0.24 0.42 0.02 0.00 0.00 175.30 174.41 1nee s ILE 112 N 3.65 5.35 -0.00 1.52 -1.09 -1.26 -4.57 121.20 124.79 1nee s ILE 112 Ca 0.21 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1nee s ILE 112 Cb -0.17 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1nee s ILE 112 CO 0.07 0.39 -0.00 -0.51 -1.23 0.00 0.00 174.94 173.66 1nee s ILE 113 N -1.27 0.05 -0.17 2.92 2.07 -1.23 -4.97 121.20 118.59 1nee s ILE 113 Ca 0.26 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.48 1nee s ILE 113 Cb -0.13 -0.06 0.05 0.00 0.13 0.00 0.00 42.46 42.45 1nee s ILE 113 CO 0.15 0.02 -0.03 -0.60 -1.91 0.00 0.00 174.94 172.57 1nee s ARG 114 N 0.06 1.22 0.05 3.50 3.52 -1.26 -2.14 118.95 123.89 1nee s ARG 114 Ca -0.00 -0.51 0.06 0.00 -0.13 0.00 0.00 55.73 55.14 1nee s ARG 114 Cb -0.01 -2.03 -0.02 0.00 -1.56 0.00 0.00 34.95 31.32 1nee s ARG 114 CO -0.00 -0.49 -0.17 -1.21 -0.81 0.00 0.00 175.30 172.61 1nee s GLU 115 N 1.68 1.12 0.00 5.12 0.41 -0.69 -4.78 118.70 121.56 1nee s GLU 115 Ca -0.00 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 1nee s GLU 115 Cb -0.16 -1.19 0.00 0.00 -1.78 0.00 0.00 34.13 31.00 1nee s GLU 115 CO -0.07 0.30 0.00 0.41 -0.49 0.00 0.00 175.26 175.40 1nee n GLY 116 N 1.79 1.52 3.31 -1.39 0.00 -1.26 -1.42 105.19 107.74 1nee n GLY 116 Ca -0.18 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.63 -2.05 -3.43 1.61 1.74 -1.26 -3.46 116.66 109.19 1nee n ARG 117 Ca 0.00 0.83 -0.18 0.00 -0.77 0.00 0.00 57.85 57.73 1nee n ARG 117 Cb 0.05 -5.56 0.03 0.00 -1.02 0.00 0.00 32.46 25.96 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 -3.32 -7.46 0.00 0.55 5.41 -1.26 -4.91 119.36 108.37 1nee n ILE 118 Ca -0.07 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 62.97 1nee n ILE 118 Cb 0.61 -5.35 0.00 0.00 -0.71 0.00 0.00 39.64 34.19 1nee n ILE 118 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1nee n SER 119 N -2.53 0.00 -4.25 4.38 2.88 -1.22 -4.83 113.62 108.04 1nee n SER 119 Ca -0.09 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.20 1nee n SER 119 Cb 0.59 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.91 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nee s LEU 120 N -0.83 2.20 -0.16 2.46 1.43 -0.51 -4.95 118.68 118.32 1nee s LEU 120 Ca 0.00 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.35 1nee s LEU 120 Cb 0.00 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.34 1nee s LEU 120 CO 0.00 0.13 0.53 -0.76 0.23 0.00 0.00 176.35 176.48 1nee s LEU 121 N -1.33 -0.01 0.06 1.79 1.02 -0.79 -1.70 118.68 117.72 1nee s LEU 121 Ca 0.07 0.92 0.09 0.00 0.02 0.00 0.00 54.13 55.23 1nee s LEU 121 Cb -0.09 1.85 -0.03 0.00 0.02 0.00 0.00 46.19 47.94 1nee s LEU 121 CO 0.02 -0.27 -0.26 -0.75 0.02 0.00 0.00 176.35 175.12 1nee s LYS 122 N -0.07 1.77 -0.30 1.70 2.20 -0.91 -2.52 119.74 121.60 1nee s LYS 122 Ca -0.03 -1.14 0.20 0.00 -0.36 0.00 0.00 55.97 54.64 1nee s LYS 122 Cb -0.03 -1.99 0.48 0.00 -1.51 0.00 0.00 37.83 34.77 1nee s LYS 122 CO 0.02 0.50 1.03 0.00 -0.36 0.00 0.00 175.35 176.55 1nee h GLU 124 N 2.79 0.25 0.00 0.00 4.57 -1.82 -2.39 114.58 117.98 1nee h GLU 124 Ca -0.13 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1nee h GLU 124 Cb 1.22 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1nee h GLU 124 CO 0.35 0.16 0.00 0.00 -1.18 0.00 0.00 179.01 178.34 1nee n ALA 125 N -2.58 -0.33 -0.95 2.92 0.00 -1.26 -3.49 120.51 114.82 1nee n ALA 125 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 1nee n ALA 125 Cb 0.93 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.24 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 2.28 0.41 3.33 0.00 0.00 -0.94 -4.84 105.19 105.43 1nee n GLY 127 Ca 0.37 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.07 0.03 4.61 0.00 -0.97 -3.70 121.76 118.67 1nee s ALA 128 Ca 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1nee s ALA 128 Cb 0.00 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.36 1nee s ALA 128 CO 0.00 -0.38 0.41 0.21 0.00 0.00 0.00 175.76 176.00 1nee s LYS 129 N -1.89 0.89 -0.61 0.00 2.20 -1.26 -4.58 119.74 114.48 1nee s LYS 129 Ca -0.09 -0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 54.93 1nee s LYS 129 Cb -0.02 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.73 1nee s LYS 129 CO 0.02 -0.30 1.18 0.00 -0.36 0.00 0.00 175.35 175.90 1nee s ALA 130 N -2.27 2.96 -0.10 3.13 0.00 -1.05 -4.35 121.76 120.09 1nee s ALA 130 Ca -0.07 -1.00 0.30 0.00 0.00 0.00 0.00 51.96 51.20 1nee s ALA 130 Cb -0.01 -4.05 1.17 0.00 0.00 0.00 0.00 23.12 20.22 1nee s ALA 130 CO -0.01 -2.77 1.89 -1.00 0.00 0.00 0.00 175.76 173.87 1nee h PRO 131 N 9.63 0.00 0.00 0.00 0.13 -1.91 -2.09 132.00 137.76 1nee h PRO 131 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1nee h PRO 131 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1nee h PRO 131 CO 1.20 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.86 1nee n LEU 132 N -2.89 0.00 0.00 1.56 0.00 -1.26 -4.29 117.00 110.12 1nee n LEU 132 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.02 1nee n LEU 132 Cb 0.32 0.18 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1nee n LEU 132 CO 0.27 -0.23 0.00 1.17 0.00 0.00 0.00 177.39 178.60 1nee n LYS 133 N -1.96 0.00 -4.26 1.96 3.00 -1.26 -4.98 118.16 110.66 1nee n LYS 133 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1nee n LYS 133 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1nee n LYS 133 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1nee s ASN 134 N -0.96 0.82 0.00 3.14 -0.87 -1.26 -4.85 114.94 110.96 1nee s ASN 134 Ca 0.00 -1.35 0.30 0.00 -1.57 0.00 0.00 52.86 50.24 1nee s ASN 134 Cb 0.00 0.23 1.38 0.00 -0.02 0.00 0.00 41.25 42.84 1nee s ASN 134 CO 0.00 -0.75 1.93 0.55 -2.57 0.00 0.00 177.10 176.26