#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee s ASP 2 N 0.00 -0.45 0.24 6.12 1.01 -1.26 -5.17 116.67 117.16 1nee s ASP 2 Ca 0.00 0.61 0.05 0.00 0.71 0.00 0.00 52.55 53.92 1nee s ASP 2 Cb 0.00 1.51 -0.03 0.00 1.01 0.00 0.00 42.92 45.41 1nee s ASP 2 CO 0.00 -0.09 0.37 -0.62 0.21 0.00 0.00 175.17 175.04 1nee s ASP 3 N 2.35 6.32 -1.31 0.27 -1.08 -1.26 -5.02 116.67 116.94 1nee s ASP 3 Ca -0.02 0.10 -0.12 0.00 -0.52 0.00 0.00 52.55 52.00 1nee s ASP 3 Cb -0.05 -1.87 0.14 0.00 -1.46 0.00 0.00 42.92 39.68 1nee s ASP 3 CO -0.17 -0.07 1.86 -1.22 0.52 0.00 0.00 175.17 176.08 1nee n TYR 4 N -1.37 3.54 -0.06 -5.34 4.01 -1.26 -4.71 117.16 111.97 1nee n TYR 4 Ca -0.09 -2.93 -0.02 0.00 -0.16 0.00 0.00 57.90 54.71 1nee n TYR 4 Cb 0.57 -2.16 -0.01 0.00 -0.31 0.00 0.00 39.34 37.43 1nee n TYR 4 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1nee h GLU 5 N 6.17 0.00 -2.28 -0.72 4.39 -2.07 -3.49 114.58 116.58 1nee h GLU 5 Ca 0.42 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.07 1nee h GLU 5 Cb 0.69 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.17 1nee h GLU 5 CO 1.60 0.04 0.19 0.21 -1.16 0.00 0.00 179.01 179.90 1nee s LYS 6 N -1.74 1.12 -0.70 2.33 2.20 -1.26 -5.05 119.74 116.63 1nee s LYS 6 Ca -0.04 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.58 1nee s LYS 6 Cb 0.00 0.52 0.07 0.00 -1.51 0.00 0.00 37.83 36.92 1nee s LYS 6 CO 0.08 -0.39 2.68 1.28 -0.36 0.00 0.00 175.35 178.64 1nee n LEU 7 N 0.57 6.92 -1.46 5.43 4.77 -1.26 -4.68 117.00 127.27 1nee n LEU 7 Ca -0.18 -4.29 -0.05 0.00 -0.03 0.00 0.00 56.01 51.45 1nee n LEU 7 Cb 0.59 -1.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.42 1nee n LEU 7 CO 0.21 1.83 0.90 -0.11 -1.33 0.00 0.00 177.39 178.89 1nee n LEU 8 N 1.17 4.91 -4.58 2.23 7.94 -1.26 -4.84 117.00 122.57 1nee n LEU 8 Ca 0.53 -2.37 -0.29 0.00 -1.11 0.00 0.00 56.01 52.77 1nee n LEU 8 Cb 0.47 -0.90 -0.10 0.00 0.53 0.00 0.00 43.42 43.43 1nee n LEU 8 CO 0.43 0.89 -0.41 -0.70 -1.11 0.00 0.00 177.39 176.49 1nee s GLU 9 N -0.56 2.13 0.00 1.96 2.56 -1.26 -5.14 118.70 118.38 1nee s GLU 9 Ca 0.10 -1.08 0.00 0.00 0.00 0.00 0.00 54.97 53.99 1nee s GLU 9 Cb 0.08 -2.28 0.00 0.00 2.00 0.00 0.00 34.13 33.93 1nee s GLU 9 CO 0.01 0.49 0.00 0.54 -0.56 0.00 0.00 175.26 175.74 1nee n ARG 10 N 0.52 1.57 -3.79 4.30 1.74 -1.26 -4.79 116.66 114.95 1nee n ARG 10 Ca -0.13 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.72 1nee n ARG 10 Cb 0.53 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.98 1nee n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nee n ALA 11 N -3.00 -2.00 0.24 7.54 0.00 -1.26 -4.89 120.51 117.14 1nee n ALA 11 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.30 1nee n ALA 11 Cb 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 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 -4.32 0.00 0.00 0.00 5.41 -1.26 -4.91 119.36 114.28 1nee n ILE 12 Ca -0.30 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.20 1nee n ILE 12 Cb 0.68 0.62 0.00 0.00 -0.71 0.00 0.00 39.64 40.23 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 -1.56 0.00 -3.36 4.38 2.03 -1.26 -4.99 116.55 111.79 1nee n ASP 13 Ca -0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 1nee n ASP 13 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1nee n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nee n GLN 14 N 0.00 4.45 -4.12 -0.67 1.13 -1.26 -4.93 117.38 111.98 1nee n GLN 14 Ca 0.00 -3.79 -0.14 0.00 -1.94 0.00 0.00 57.00 51.13 1nee n GLN 14 Cb 0.00 -2.47 -0.11 0.00 0.11 0.00 0.00 30.24 27.77 1nee n GLN 14 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1nee s LEU 15 N -3.20 2.33 1.11 1.08 2.01 -1.26 -5.03 118.68 115.72 1nee s LEU 15 Ca 0.49 -0.68 -0.17 0.00 0.01 0.00 0.00 54.13 53.78 1nee s LEU 15 Cb 0.24 -0.23 0.13 0.00 0.01 0.00 0.00 46.19 46.34 1nee s LEU 15 CO -0.16 -0.24 0.21 -0.81 1.01 0.00 0.00 176.35 176.36 1nee n PRO 16 N 1.04 -1.62 0.00 1.29 -0.04 -1.26 -4.85 135.00 129.55 1nee n PRO 16 Ca -0.20 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1nee n PRO 16 Cb 0.56 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.52 0.00 0.00 0.54 -0.04 -1.26 -4.71 135.00 127.01 1nee n PRO 17 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1nee n PRO 17 Cb 0.60 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 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 -0.09 0.00 -3.34 0.54 1.02 -1.26 -4.16 120.64 113.35 1nee n GLU 18 Ca 0.00 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.69 1nee n GLU 18 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1nee s VAL 19 N 0.00 5.20 0.00 2.62 1.01 -1.26 -4.97 120.40 123.00 1nee s VAL 19 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1nee s VAL 19 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1nee s VAL 19 CO 0.00 -0.76 0.00 2.22 0.00 0.00 0.00 175.10 176.56 1nee n PHE 20 N 5.23 0.00 -2.94 5.22 -1.74 -1.26 -4.88 117.46 117.09 1nee n PHE 20 Ca -0.13 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.87 1nee n PHE 20 Cb 0.41 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.39 1nee n PHE 20 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1nee n GLU 21 N 0.00 -1.64 -2.31 3.97 2.13 -1.26 -4.76 120.64 116.78 1nee n GLU 21 Ca 0.00 1.08 -0.38 0.00 0.66 0.00 0.00 57.16 58.52 1nee n GLU 21 Cb 0.00 -2.00 -0.02 0.00 0.27 0.00 0.00 31.44 29.69 1nee n GLU 21 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1nee s THR 22 N -1.26 3.20 0.95 6.31 -1.32 -1.26 -5.03 115.64 117.24 1nee s THR 22 Ca 0.00 0.97 -0.13 0.00 -1.21 0.00 0.00 61.69 61.32 1nee s THR 22 Cb 0.00 -3.52 0.16 0.00 -1.51 0.00 0.00 72.50 67.63 1nee s THR 22 CO 0.00 0.05 1.13 -0.75 -2.21 0.00 0.00 174.62 172.84 1nee s LYS 23 N -2.42 0.79 -0.17 7.08 2.47 -1.26 -4.91 119.74 121.32 1nee s LYS 23 Ca 0.59 0.33 0.00 0.00 -1.56 0.00 0.00 55.97 55.33 1nee s LYS 23 Cb -0.29 -1.80 0.18 0.00 -1.46 0.00 0.00 37.83 34.46 1nee s LYS 23 CO 0.36 -2.44 1.60 -2.13 0.16 0.00 0.00 175.35 172.90 1nee n ARG 24 N -3.94 1.45 -2.95 4.03 3.00 -1.26 -4.74 116.66 112.24 1nee n ARG 24 Ca 0.06 -0.97 -0.44 0.00 -0.00 0.00 0.00 57.85 56.50 1nee n ARG 24 Cb 0.59 -1.38 -0.01 0.00 0.00 0.00 0.00 32.46 31.66 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 -1.10 3.41 -0.19 -0.14 0.08 -1.26 -4.92 117.98 113.86 1nee s PHE 25 Ca 0.19 -1.93 -0.04 0.00 0.12 0.00 0.00 56.93 55.26 1nee s PHE 25 Cb 0.15 -4.29 0.06 0.00 -0.57 0.00 0.00 43.02 38.38 1nee s PHE 25 CO 0.02 -1.41 0.08 -1.21 -0.10 0.00 0.00 175.22 172.60 1nee s GLU 26 N 1.83 0.19 -0.35 0.44 0.41 -1.26 -5.00 118.70 114.96 1nee s GLU 26 Ca 0.39 -0.20 0.14 0.00 -0.41 0.00 0.00 54.97 54.90 1nee s GLU 26 Cb -0.04 -1.82 0.43 0.00 -1.78 0.00 0.00 34.13 30.93 1nee s GLU 26 CO -0.03 -0.70 1.23 1.55 -0.49 0.00 0.00 175.26 176.82 1nee n VAL 27 N 5.23 0.48 -0.46 2.63 3.14 -1.26 -5.14 118.33 122.95 1nee n VAL 27 Ca -0.07 -2.09 -0.19 0.00 -2.96 0.00 0.00 64.34 59.03 1nee n VAL 27 Cb 0.48 0.94 0.17 0.00 -1.06 0.00 0.00 33.84 34.37 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 -0.60 -2.81 0.00 1.45 -0.02 -1.26 -4.69 135.00 127.06 1nee n PRO 28 Ca -0.01 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 1nee n PRO 28 Cb 0.84 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 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 -2.54 0.00 -0.52 -0.52 4.81 -1.26 -5.04 118.16 113.09 1nee n LYS 29 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1nee n LYS 29 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nee n ALA 30 N 8.03 -1.48 -3.56 3.14 0.00 -1.26 -4.69 120.51 120.69 1nee n ALA 30 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1nee n ALA 30 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 1nee n ALA 30 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nee s TYR 31 N -2.96 -0.45 0.84 0.00 -0.85 -1.26 -4.80 117.35 107.87 1nee s TYR 31 Ca 0.00 0.79 -0.07 0.00 -0.52 0.00 0.00 57.07 57.26 1nee s TYR 31 Cb 0.00 0.44 0.17 0.00 0.38 0.00 0.00 41.96 42.95 1nee s TYR 31 CO 0.00 -0.41 1.15 -1.54 -1.52 0.00 0.00 175.55 173.23 1nee s SER 32 N -1.08 3.70 -0.01 -0.18 1.04 -1.26 -4.77 113.70 111.13 1nee s SER 32 Ca -0.04 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1nee s SER 32 Cb -0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.10 1nee s SER 32 CO 0.04 -2.32 -0.06 0.68 0.98 0.00 0.00 173.24 172.56 1nee s VAL 33 N -3.49 0.48 -0.21 5.02 -7.23 -1.26 -4.75 120.40 108.96 1nee s VAL 33 Ca 0.71 -0.23 -0.08 0.00 -1.81 0.00 0.00 61.98 60.56 1nee s VAL 33 Cb -0.04 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 1nee s VAL 33 CO 0.48 0.15 0.08 -0.51 -0.31 0.00 0.00 175.10 175.00 1nee s ILE 34 N 0.03 4.72 -0.21 -0.62 -1.16 -1.26 -2.05 121.20 120.66 1nee s ILE 34 Ca 0.00 -0.05 -0.28 0.00 -0.51 0.00 0.00 60.65 59.81 1nee s ILE 34 Cb -0.04 -3.17 0.12 0.00 0.61 0.00 0.00 42.46 39.98 1nee s ILE 34 CO -0.00 0.40 1.00 -1.58 -2.81 0.00 0.00 174.94 171.95 1nee s GLN 35 N 0.91 0.57 -1.39 3.50 -0.44 -0.40 -4.99 119.66 117.42 1nee s GLN 35 Ca 0.04 0.33 -0.02 0.00 -2.50 0.00 0.00 55.36 53.21 1nee s GLN 35 Cb -0.14 0.27 0.00 0.00 -1.64 0.00 0.00 33.01 31.51 1nee s GLN 35 CO 0.03 -0.14 0.43 0.41 0.50 0.00 0.00 175.29 176.52 1nee n GLY 36 N 1.33 -0.28 2.49 2.59 0.00 -1.26 -0.31 105.19 109.75 1nee n GLY 36 Ca -0.11 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1nee n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nee n ASN 37 N -2.94 -2.42 -3.81 1.61 3.02 -1.26 -4.88 115.26 104.58 1nee n ASN 37 Ca -0.29 0.33 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 1nee n ASN 37 Cb 0.68 -2.13 -0.07 0.00 -0.61 0.00 0.00 39.78 37.65 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nee s ARG 38 N -5.04 0.84 -0.30 3.52 1.70 0.58 -3.83 118.95 116.43 1nee s ARG 38 Ca 0.01 -0.80 -0.08 0.00 -0.47 0.00 0.00 55.73 54.39 1nee s ARG 38 Cb -0.01 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1nee s ARG 38 CO 0.01 -0.27 0.11 -0.08 -1.08 0.00 0.00 175.30 173.99 1nee s THR 39 N -3.42 4.25 -1.29 4.99 -1.32 -0.32 -1.27 115.64 117.27 1nee s THR 39 Ca 0.01 -0.53 -0.12 0.00 -1.21 0.00 0.00 61.69 59.84 1nee s THR 39 Cb 0.03 -3.16 0.14 0.00 -1.51 0.00 0.00 72.50 67.99 1nee s THR 39 CO -0.09 0.10 1.78 0.33 -2.21 0.00 0.00 174.62 174.54 1nee n PHE 40 N 4.92 3.81 -2.12 9.09 -0.00 -0.87 -0.98 117.46 131.31 1nee n PHE 40 Ca -0.14 -2.99 -0.43 0.00 -0.00 0.00 0.00 57.45 53.89 1nee n PHE 40 Cb 0.49 -2.18 -0.03 0.00 -0.00 0.00 0.00 39.48 37.76 1nee n PHE 40 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.76 175.26 1nee s ILE 41 N 1.54 3.75 -0.12 -2.13 1.10 0.33 -4.32 121.20 121.34 1nee s ILE 41 Ca 0.43 0.89 0.01 0.00 -0.51 0.00 0.00 60.65 61.47 1nee s ILE 41 Cb 0.06 -3.65 -0.08 0.00 0.15 0.00 0.00 42.46 38.94 1nee s ILE 41 CO -0.00 -0.16 -0.10 0.00 -2.11 0.00 0.00 174.94 172.56 1nee n GLN 42 N 7.23 0.38 -1.69 3.50 6.02 -1.26 -2.04 117.38 129.52 1nee n GLN 42 Ca 0.17 0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.86 1nee n GLN 42 Cb 0.44 -1.25 0.05 0.00 1.02 0.00 0.00 30.24 30.50 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nee n ASN 43 N -2.85 7.55 -0.33 1.08 5.03 -1.26 -4.73 115.26 119.76 1nee n ASN 43 Ca -0.22 -3.79 0.19 0.00 0.87 0.00 0.00 54.58 51.63 1nee n ASN 43 Cb 0.74 -1.04 0.39 0.00 -1.02 0.00 0.00 39.78 38.85 1nee n ASN 43 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1nee h PHE 44 N 2.63 0.82 0.33 3.10 3.04 -1.96 0.85 116.94 125.76 1nee h PHE 44 Ca 0.57 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.55 1nee h PHE 44 Cb 0.33 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1nee h PHE 44 CO 1.27 -0.09 -0.16 0.07 -2.02 0.00 0.00 178.31 177.38 1nee h ARG 45 N 0.39 -0.43 0.56 1.11 -0.00 -1.99 0.35 114.38 114.38 1nee h ARG 45 Ca 0.65 0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 60.64 1nee h ARG 45 Cb 1.36 0.10 0.01 0.00 -0.00 0.00 0.00 29.97 31.44 1nee h ARG 45 CO -0.56 -0.17 -0.27 1.49 -0.00 0.00 0.00 179.97 180.46 1nee h GLU 46 N -0.65 -0.73 -0.66 0.08 4.81 -1.49 -2.85 114.58 113.09 1nee h GLU 46 Ca -0.05 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1nee h GLU 46 Cb 0.46 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1nee h GLU 46 CO 0.07 -0.42 0.44 -0.24 -0.73 0.00 0.00 179.01 178.14 1nee h VAL 47 N -1.01 0.85 0.14 0.32 3.04 0.57 -2.61 116.25 117.56 1nee h VAL 47 Ca -0.08 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 1nee h VAL 47 Cb 0.64 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1nee h VAL 47 CO 0.13 0.07 -0.11 0.00 -1.01 0.00 0.00 177.57 176.65 1nee h ALA 48 N 1.68 -0.91 -0.12 3.17 0.00 -0.13 0.23 119.26 123.18 1nee h ALA 48 Ca 0.31 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1nee h ALA 48 Cb 0.67 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1nee h ALA 48 CO -0.09 -0.91 -0.32 0.22 0.00 0.00 0.00 179.25 178.15 1nee h ASP 49 N -0.24 -1.02 -0.44 0.00 3.58 -1.32 0.38 116.42 117.36 1nee h ASP 49 Ca -0.02 0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.61 1nee h ASP 49 Cb 0.20 0.40 -0.09 0.00 1.72 0.00 0.00 39.33 41.56 1nee h ASP 49 CO 0.01 -0.27 -0.52 0.00 -2.88 0.00 0.00 179.24 175.58 1nee h ALA 50 N -0.73 -0.65 0.00 -0.78 0.00 -1.52 0.53 119.26 116.11 1nee h ALA 50 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nee h ALA 50 Cb 0.38 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1nee h ALA 50 CO -0.27 -0.99 0.00 -0.11 0.00 0.00 0.00 179.25 177.88 1nee n LEU 51 N -5.39 0.15 0.00 0.00 7.94 0.07 -4.25 117.00 115.52 1nee n LEU 51 Ca -0.02 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 1nee n LEU 51 Cb 0.34 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.75 1nee n LEU 51 CO 0.01 -0.43 0.00 0.59 -1.11 0.00 0.00 177.39 176.44 1nee n ASN 52 N -1.68 0.00 -0.09 1.96 5.03 0.17 -4.65 115.26 116.00 1nee n ASN 52 Ca 0.02 0.00 0.25 0.00 0.87 0.00 0.00 54.58 55.72 1nee n ASN 52 Cb 0.12 0.00 0.72 0.00 -1.02 0.00 0.00 39.78 39.60 1nee n ASN 52 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 1nee h ARG 53 N 0.00 0.00 -6.04 3.52 0.11 -1.30 -3.11 114.38 107.55 1nee h ARG 53 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 1nee h ARG 53 Cb 0.00 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.02 1nee h ARG 53 CO 0.00 0.00 0.27 0.34 0.10 0.00 0.00 179.97 180.68 1nee s ASP 54 N -5.63 7.02 -0.05 0.08 -1.08 -1.26 -4.74 116.67 111.02 1nee s ASP 54 Ca -0.05 1.25 -0.21 0.00 -0.52 0.00 0.00 52.55 53.01 1nee s ASP 54 Cb 0.20 -2.45 -0.16 0.00 -1.46 0.00 0.00 42.92 39.04 1nee s ASP 54 CO 0.71 -0.27 0.89 1.55 0.52 0.00 0.00 175.17 178.57 1nee h PRO 55 N 7.04 -0.21 -0.03 4.34 0.13 -1.91 -3.14 132.00 138.22 1nee h PRO 55 Ca -0.35 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1nee h PRO 55 Cb 1.17 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nee h PRO 55 CO 0.79 0.22 0.15 1.96 -0.23 0.00 0.00 178.00 180.89 1nee h GLN 56 N -0.85 0.00 0.36 0.86 4.20 -1.96 -2.56 115.11 115.17 1nee h GLN 56 Ca -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1nee h GLN 56 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1nee h GLN 56 CO 0.04 0.00 -0.17 1.25 -0.67 0.00 0.00 178.83 179.27 1nee h HIS 57 N 0.00 -0.45 -0.92 2.96 2.76 -1.94 -2.63 115.15 114.92 1nee h HIS 57 Ca 0.02 -0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.44 1nee h HIS 57 Cb 0.31 0.15 -0.15 0.00 1.55 0.00 0.00 27.41 29.27 1nee h HIS 57 CO 0.00 -0.28 0.30 1.25 -1.30 0.00 0.00 177.93 177.90 1nee h LEU 58 N -1.01 0.08 0.26 0.26 5.85 -1.41 0.27 115.31 119.59 1nee h LEU 58 Ca -0.05 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1nee h LEU 58 Cb 0.37 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1nee h LEU 58 CO 0.08 -0.19 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.80 1nee h LEU 59 N 0.20 -0.29 -1.65 2.25 4.07 -1.58 -1.10 115.31 117.20 1nee h LEU 59 Ca 0.61 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.62 1nee h LEU 59 Cb 1.31 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 43.10 1nee h LEU 59 CO -0.68 -0.20 0.32 0.50 -1.08 0.00 0.00 178.44 177.30 1nee h LYS 60 N -0.36 0.43 -0.22 1.13 3.64 -0.22 -2.34 116.57 118.64 1nee h LYS 60 Ca -0.04 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1nee h LYS 60 Cb 0.28 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1nee h LYS 60 CO 0.06 0.28 -0.24 0.74 -2.27 0.00 0.00 179.45 178.02 1nee h PHE 61 N 0.44 0.66 -0.65 1.91 0.04 -0.30 0.11 116.94 119.15 1nee h PHE 61 Ca 0.20 -0.20 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1nee h PHE 61 Cb 0.25 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 1nee h PHE 61 CO -0.00 0.90 0.39 -0.07 -0.60 0.00 0.00 178.31 178.92 1nee h LEU 62 N 0.23 0.61 -0.43 1.54 3.38 -0.69 -1.21 115.31 118.74 1nee h LEU 62 Ca 0.03 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1nee h LEU 62 Cb 0.79 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1nee h LEU 62 CO 0.06 0.42 -0.76 -0.07 0.09 0.00 0.00 178.44 178.17 1nee h LEU 63 N 0.74 0.29 -1.63 1.67 3.38 -1.46 0.26 115.31 118.56 1nee h LEU 63 Ca 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1nee h LEU 63 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nee h LEU 63 CO -0.13 0.94 -0.20 0.03 0.09 0.00 0.00 178.44 179.17 1nee h ARG 64 N 0.15 0.00 0.00 1.13 2.47 -0.30 -2.96 114.38 114.88 1nee h ARG 64 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1nee h ARG 64 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1nee h ARG 64 CO 0.12 0.20 -1.50 -1.91 0.56 0.00 0.00 179.97 177.45 1nee n GLU 65 N -3.88 0.76 -2.22 0.04 4.07 -0.52 -4.92 120.64 113.97 1nee n GLU 65 Ca -0.02 -0.11 -0.43 0.00 -0.06 0.00 0.00 57.16 56.54 1nee n GLU 65 Cb 0.30 -1.31 -0.02 0.00 -0.06 0.00 0.00 31.44 30.34 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 -3.78 3.54 0.24 4.31 1.02 0.92 -3.37 118.68 121.57 1nee s LEU 66 Ca -0.04 0.96 0.13 0.00 0.02 0.00 0.00 54.13 55.21 1nee s LEU 66 Cb 0.10 -3.50 0.03 0.00 0.02 0.00 0.00 46.19 42.84 1nee s LEU 66 CO 0.60 -1.56 1.42 1.23 0.02 0.00 0.00 176.35 178.06 1nee h GLY 67 N 12.82 0.00 -1.62 -3.19 0.00 -1.85 -3.46 103.07 105.77 1nee h GLY 67 Ca -0.30 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.59 1nee h GLY 67 CO 1.07 0.00 0.06 -0.51 0.00 0.00 0.00 176.54 177.16 1nee s THR 68 N -2.94 2.76 0.04 4.70 -4.23 -1.25 -4.99 115.64 109.73 1nee s THR 68 Ca 0.03 -0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 59.99 1nee s THR 68 Cb 0.08 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1nee s THR 68 CO 0.76 -0.07 0.68 0.00 -0.54 0.00 0.00 174.62 175.45 1nee n ALA 69 N -2.52 -0.17 -0.98 3.99 0.00 -1.26 -4.81 120.51 114.76 1nee n ALA 69 Ca 0.07 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1nee n ALA 69 Cb 0.60 0.10 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 -1.07 -2.22 3.74 0.00 0.00 -1.24 -4.98 105.19 99.41 1nee n GLY 70 Ca 0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.21 -0.45 1.61 2.47 -1.26 -4.90 114.94 112.20 1nee s ASN 71 Ca 0.00 -0.39 -0.29 0.00 0.42 0.00 0.00 52.86 52.60 1nee s ASN 71 Cb 0.00 0.51 0.02 0.00 -1.45 0.00 0.00 41.25 40.34 1nee s ASN 71 CO 0.00 -0.94 1.23 -0.76 -3.72 0.00 0.00 177.10 172.91 1nee s LEU 72 N -2.90 3.63 0.20 3.21 2.01 -1.26 -2.51 118.68 121.05 1nee s LEU 72 Ca 0.11 0.60 0.05 0.00 0.01 0.00 0.00 54.13 54.91 1nee s LEU 72 Cb -0.02 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.60 1nee s LEU 72 CO 0.02 -1.31 0.23 -1.61 1.01 0.00 0.00 176.35 174.69 1nee s GLU 73 N 4.60 3.14 0.66 1.70 0.41 -0.32 -4.68 118.70 124.21 1nee s GLU 73 Ca 0.52 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 54.26 1nee s GLU 73 Cb -0.09 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1nee s GLU 73 CO 0.32 0.46 0.00 0.41 -0.49 0.00 0.00 175.26 175.96 1nee n GLY 74 N -0.79 -1.45 0.34 -1.39 0.00 -1.26 -2.15 105.19 98.48 1nee n GLY 74 Ca -0.08 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.90 1.73 0.00 -0.02 0.00 -2.02 -3.43 103.07 98.44 1nee h GLY 75 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1nee h GLY 75 CO 0.01 -0.11 0.00 -2.13 0.00 0.00 0.00 176.54 174.31 1nee n ARG 76 N -4.82 2.90 -3.47 4.80 3.00 -1.25 -5.02 116.66 112.79 1nee n ARG 76 Ca 0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.66 1nee n ARG 76 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.01 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nee s ALA 77 N -3.12 4.34 -0.71 5.13 0.00 -0.87 -3.98 121.76 122.55 1nee s ALA 77 Ca 0.00 -3.69 -0.16 0.00 0.00 0.00 0.00 51.96 48.11 1nee s ALA 77 Cb 0.00 -3.23 0.16 0.00 0.00 0.00 0.00 23.12 20.05 1nee s ALA 77 CO 0.00 -2.19 0.74 0.42 0.00 0.00 0.00 175.76 174.73 1nee s ILE 78 N -0.90 5.19 0.69 0.00 1.01 -0.91 -0.52 121.20 125.76 1nee s ILE 78 Ca 0.26 -1.74 0.01 0.00 0.00 0.00 0.00 60.65 59.18 1nee s ILE 78 Cb -0.10 -4.49 0.11 0.00 0.01 0.00 0.00 42.46 38.00 1nee s ILE 78 CO -0.09 -1.08 0.95 -1.48 0.00 0.00 0.00 174.94 173.23 1nee s LEU 79 N 1.49 3.02 -0.03 2.97 0.05 -0.15 -1.17 118.68 124.85 1nee s LEU 79 Ca 0.15 -0.42 -0.01 0.00 0.05 0.00 0.00 54.13 53.90 1nee s LEU 79 Cb -0.18 -1.98 0.03 0.00 -2.05 0.00 0.00 46.19 42.01 1nee s LEU 79 CO -0.02 -1.74 0.04 -1.58 -0.55 0.00 0.00 176.35 172.50 1nee s GLN 80 N -5.04 0.01 0.00 1.48 0.74 -1.26 -1.17 119.66 114.42 1nee s GLN 80 Ca 0.65 0.26 0.00 0.00 0.05 0.00 0.00 55.36 56.32 1nee s GLN 80 Cb -0.06 -0.43 0.00 0.00 1.10 0.00 0.00 33.01 33.63 1nee s GLN 80 CO 0.43 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 1nee n GLY 81 N 4.72 -0.63 0.05 2.59 0.00 -1.25 -3.72 105.19 106.95 1nee n GLY 81 Ca -0.16 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 1.87 -1.60 1.61 3.00 -1.22 -4.73 118.16 117.10 1nee n LYS 82 Ca 0.00 -2.22 -0.35 0.00 -0.00 0.00 0.00 58.31 55.75 1nee n LYS 82 Cb 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 35.03 33.73 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 -1.11 2.70 -1.68 5.64 3.01 -1.26 -4.72 117.46 120.04 1nee n PHE 83 Ca 0.11 -2.43 -0.41 0.00 1.01 0.00 0.00 57.45 55.73 1nee n PHE 83 Cb 0.51 -1.28 -0.01 0.00 -0.01 0.00 0.00 39.48 38.69 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nee n THR 84 N -0.34 3.86 -3.23 4.37 -2.24 -1.26 -4.40 114.28 111.05 1nee n THR 84 Ca 0.54 -3.07 -0.23 0.00 -2.27 0.00 0.00 64.05 59.01 1nee n THR 84 Cb 0.43 -2.57 0.04 0.00 -2.10 0.00 0.00 70.33 66.13 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 4.98 -2.15 0.00 4.78 -0.00 -1.26 -4.62 115.22 116.95 1nee n HIS 85 Ca 0.59 0.63 0.00 0.00 0.46 0.00 0.00 57.72 59.41 1nee n HIS 85 Cb 0.34 -4.40 0.00 0.00 -0.12 0.00 0.00 29.99 25.81 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 -4.56 0.00 0.05 1.57 3.01 -1.26 -4.21 117.46 112.06 1nee n PHE 86 Ca -0.07 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.42 1nee n PHE 86 Cb 0.59 0.00 0.41 0.00 -0.01 0.00 0.00 39.48 40.47 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1nee h LEU 87 N 0.00 0.39 0.56 4.37 -0.00 -1.92 -2.15 115.31 116.56 1nee h LEU 87 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1nee h LEU 87 Cb 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.56 1nee h LEU 87 CO 0.00 0.37 -0.36 0.40 -0.00 0.00 0.00 178.44 178.85 1nee h ILE 88 N 0.43 0.00 -0.23 1.22 2.04 -1.91 -0.46 117.51 118.60 1nee h ILE 88 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1nee h ILE 88 Cb 0.11 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1nee h ILE 88 CO -0.01 0.00 0.02 -1.13 0.00 0.00 0.00 178.15 177.03 1nee h ASN 89 N -0.86 -0.05 -0.11 1.72 -1.24 -1.71 -0.19 115.58 113.13 1nee h ASN 89 Ca -0.07 0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.02 1nee h ASN 89 Cb 0.70 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.77 1nee h ASN 89 CO 0.06 0.01 -0.21 -0.33 -1.29 0.00 0.00 177.43 175.67 1nee h GLU 90 N 0.10 -0.27 -0.15 6.67 5.08 -1.35 0.89 114.58 125.55 1nee h GLU 90 Ca 0.11 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1nee h GLU 90 Cb 0.12 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1nee h GLU 90 CO -0.17 -0.18 0.06 0.00 -1.00 0.00 0.00 179.01 177.72 1nee h ARG 91 N -0.28 0.23 0.15 2.33 -0.00 -0.92 -1.40 114.38 114.50 1nee h ARG 91 Ca 0.10 -0.05 0.02 0.00 -0.50 0.00 0.00 59.98 59.55 1nee h ARG 91 Cb 0.42 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.31 1nee h ARG 91 CO -0.28 0.34 -0.40 0.82 0.00 0.00 0.00 179.97 180.45 1nee h ILE 92 N 0.08 0.19 -0.03 2.04 2.04 -0.72 -0.55 117.51 120.56 1nee h ILE 92 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1nee h ILE 92 Cb 0.19 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1nee h ILE 92 CO -0.00 0.00 0.03 -0.33 0.00 0.00 0.00 178.15 177.85 1nee h GLU 93 N -0.66 0.00 -0.02 2.37 5.08 -0.82 0.50 114.58 121.04 1nee h GLU 93 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1nee h GLU 93 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1nee h GLU 93 CO -0.21 0.00 0.00 0.22 -1.00 0.00 0.00 179.01 178.02 1nee h ASP 94 N 0.00 0.02 0.00 1.42 3.58 0.04 -0.11 116.42 121.37 1nee h ASP 94 Ca 0.02 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 1nee h ASP 94 Cb 0.08 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 1nee h ASP 94 CO -0.00 0.26 -0.36 0.22 -2.88 0.00 0.00 179.24 176.48 1nee h TYR 95 N -0.21 0.00 -0.88 0.28 3.20 -0.75 -2.91 116.97 115.70 1nee h TYR 95 Ca 0.01 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1nee h TYR 95 Cb 0.24 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 1nee h TYR 95 CO 0.01 0.09 0.55 -0.24 -1.64 0.00 0.00 178.16 176.92 1nee h VAL 96 N -1.00 1.02 -1.75 1.81 3.04 -0.19 -2.67 116.25 116.52 1nee h VAL 96 Ca -0.02 -0.34 -0.66 0.00 -1.01 0.00 0.00 66.70 64.67 1nee h VAL 96 Cb 0.38 -0.04 -0.36 0.00 -2.01 0.00 0.00 31.29 29.26 1nee h VAL 96 CO -0.01 0.18 0.01 0.59 -1.01 0.00 0.00 177.57 177.33 1nee n ASN 97 N -4.62 5.86 -0.03 3.17 4.13 -0.06 -4.70 115.26 119.01 1nee n ASN 97 Ca 0.13 -3.76 0.15 0.00 1.68 0.00 0.00 54.58 52.78 1nee n ASN 97 Cb 0.20 -0.71 0.80 0.00 -1.54 0.00 0.00 39.78 38.52 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1nee n LYS 98 N -0.49 0.71 0.09 3.52 2.85 -1.01 -3.32 118.16 120.51 1nee n LYS 98 Ca 0.45 -0.07 -0.13 0.00 -1.05 0.00 0.00 58.31 57.51 1nee n LYS 98 Cb 0.48 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.27 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 0.16 -0.21 0.00 5.58 -0.00 -1.86 -0.40 116.94 120.22 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 0.20 0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.22 1nee h PHE 99 CO 0.00 0.11 -1.03 1.55 -0.00 0.00 0.00 178.31 178.94 1nee n VAL 100 N -5.05 0.23 -0.07 0.88 3.14 -1.25 0.12 118.33 116.33 1nee n VAL 100 Ca -0.09 -0.29 -0.07 0.00 -2.96 0.00 0.00 64.34 60.93 1nee n VAL 100 Cb 0.22 0.10 -0.03 0.00 -1.06 0.00 0.00 33.84 33.06 1nee n VAL 100 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1nee h ILE 101 N 0.00 0.24 -0.15 1.55 1.08 -1.62 -3.37 117.51 115.23 1nee h ILE 101 Ca 0.00 -1.26 -0.08 0.00 -0.39 0.00 0.00 64.86 63.13 1nee h ILE 101 Cb 0.78 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 1nee h ILE 101 CO 0.00 0.08 0.11 0.00 -0.69 0.00 0.00 178.15 177.65 1nee n HIS 103 N 0.47 -1.59 -3.75 0.00 -0.00 -1.25 -2.51 115.22 106.58 1nee n HIS 103 Ca 0.09 0.73 -0.23 0.00 0.46 0.00 0.00 57.72 58.77 1nee n HIS 103 Cb 0.64 -3.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.00 1nee n HIS 103 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1nee n GLU 104 N -4.43 -1.53 -0.56 1.57 0.28 0.32 -4.74 120.64 111.54 1nee n GLU 104 Ca -0.28 0.80 -0.05 0.00 -0.16 0.00 0.00 57.16 57.48 1nee n GLU 104 Cb 0.67 -2.52 -0.07 0.00 1.43 0.00 0.00 31.44 30.95 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 2.25 0.00 -4.77 0.00 3.02 -1.26 -4.85 115.26 109.65 1nee n ASN 106 Ca 0.18 0.34 -0.38 0.00 -0.03 0.00 0.00 54.58 54.69 1nee n ASN 106 Cb 0.53 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1nee n ASN 106 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1nee s ARG 107 N -0.79 4.40 -0.07 3.52 6.06 -1.26 -4.86 118.95 125.95 1nee s ARG 107 Ca 0.00 1.67 -0.25 0.00 -2.50 0.00 0.00 55.73 54.64 1nee s ARG 107 Cb 0.00 -2.88 -0.31 0.00 0.06 0.00 0.00 34.95 31.83 1nee s ARG 107 CO 0.00 0.04 1.44 -2.30 -2.50 0.00 0.00 175.30 171.98 1nee n PRO 108 N 0.58 0.01 0.03 5.12 -0.02 -1.26 -4.42 135.00 135.03 1nee n PRO 108 Ca 0.02 -0.87 0.11 0.00 -2.02 0.00 0.00 63.50 60.74 1nee n PRO 108 Cb 0.47 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1nee n PRO 108 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nee n ASP 109 N 8.79 0.63 -3.66 2.55 2.03 -1.26 -4.97 116.55 120.66 1nee n ASP 109 Ca 0.39 -0.23 -0.16 0.00 0.52 0.00 0.00 54.79 55.31 1nee n ASP 109 Cb 0.40 0.67 -0.08 0.00 -0.72 0.00 0.00 41.12 41.38 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1nee s THR 110 N -3.16 0.00 -0.64 5.18 -4.23 -1.26 -4.96 115.64 106.58 1nee s THR 110 Ca 0.05 -1.93 -0.21 0.00 -1.18 0.00 0.00 61.69 58.42 1nee s THR 110 Cb 0.15 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.56 1nee s THR 110 CO 0.78 0.00 0.89 -0.13 -0.54 0.00 0.00 174.62 175.62 1nee s ARG 111 N -3.67 3.09 0.01 3.99 0.52 -1.26 -5.03 118.95 116.61 1nee s ARG 111 Ca 0.38 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 1nee s ARG 111 Cb 0.03 -4.24 -0.04 0.00 0.52 0.00 0.00 34.95 31.23 1nee s ARG 111 CO 0.21 -1.73 0.05 0.42 0.02 0.00 0.00 175.30 174.27 1nee s ILE 112 N 3.66 4.51 -0.13 1.52 1.09 -1.26 -4.42 121.20 126.17 1nee s ILE 112 Ca 0.19 -0.52 -0.09 0.00 -1.10 0.00 0.00 60.65 59.13 1nee s ILE 112 Cb -0.19 -3.06 0.05 0.00 -1.06 0.00 0.00 42.46 38.19 1nee s ILE 112 CO 0.09 0.33 0.33 -0.63 -0.10 0.00 0.00 174.94 174.96 1nee s ILE 113 N -1.19 -0.02 -0.06 2.92 1.01 -1.22 -4.97 121.20 117.68 1nee s ILE 113 Ca 0.23 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1nee s ILE 113 Cb -0.12 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.87 1nee s ILE 113 CO 0.14 0.03 -0.14 -0.60 0.00 0.00 0.00 174.94 174.37 1nee s ARG 114 N 0.96 1.72 0.05 2.79 6.06 -1.25 -1.74 118.95 127.53 1nee s ARG 114 Ca -0.06 -0.48 0.07 0.00 -2.50 0.00 0.00 55.73 52.75 1nee s ARG 114 Cb -0.07 -1.44 -0.02 0.00 0.06 0.00 0.00 34.95 33.47 1nee s ARG 114 CO -0.07 0.10 -0.19 -2.00 -2.50 0.00 0.00 175.30 170.65 1nee s GLU 115 N 0.42 1.22 0.00 5.12 2.12 -0.88 -4.71 118.70 121.99 1nee s GLU 115 Ca -0.11 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1nee s GLU 115 Cb -0.14 -1.31 0.00 0.00 0.26 0.00 0.00 34.13 32.94 1nee s GLU 115 CO 0.03 0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 1nee n GLY 116 N 1.81 0.75 2.41 -1.50 0.00 -1.26 -2.06 105.19 105.33 1nee n GLY 116 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.31 -1.00 -2.54 1.61 3.00 -1.26 -4.36 116.66 109.79 1nee n ARG 117 Ca 0.00 1.23 -0.05 0.00 -0.00 0.00 0.00 57.85 59.03 1nee n ARG 117 Cb 0.00 -4.08 0.02 0.00 0.00 0.00 0.00 32.46 28.40 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1nee n ILE 118 N -1.13 -1.10 0.00 5.15 5.41 -1.26 -4.98 119.36 121.45 1nee n ILE 118 Ca 0.02 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1nee n ILE 118 Cb 0.43 -2.63 0.00 0.00 -0.71 0.00 0.00 39.64 36.73 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 -0.61 0.62 -4.16 4.38 2.88 -1.19 -4.83 113.62 110.71 1nee n SER 119 Ca -0.04 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.34 1nee n SER 119 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 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 -5.81 2.31 -0.19 2.46 1.43 -0.88 -4.98 118.68 113.03 1nee s LEU 120 Ca 0.00 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1nee s LEU 120 Cb 0.00 -0.43 0.06 0.00 0.03 0.00 0.00 46.19 45.85 1nee s LEU 120 CO 0.00 -0.14 0.47 -0.22 0.23 0.00 0.00 176.35 176.70 1nee s LEU 121 N -1.91 -0.07 -0.03 1.79 1.98 0.28 -2.08 118.68 118.64 1nee s LEU 121 Ca -0.01 1.00 0.04 0.00 -2.89 0.00 0.00 54.13 52.27 1nee s LEU 121 Cb -0.08 1.61 -0.03 0.00 0.66 0.00 0.00 46.19 48.35 1nee s LEU 121 CO 0.02 -0.19 -0.14 -1.59 -1.89 0.00 0.00 176.35 172.56 1nee s LYS 122 N 0.89 2.43 -0.29 1.98 -2.85 -0.71 -0.80 119.74 120.39 1nee s LYS 122 Ca -0.05 -0.75 0.20 0.00 -1.00 0.00 0.00 55.97 54.37 1nee s LYS 122 Cb -0.06 -2.36 0.48 0.00 -2.06 0.00 0.00 37.83 33.84 1nee s LYS 122 CO -0.07 0.61 1.16 0.00 0.10 0.00 0.00 175.35 177.14 1nee h GLU 124 N 2.42 0.04 0.00 0.00 4.39 -1.80 -2.28 114.58 117.35 1nee h GLU 124 Ca -0.18 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1nee h GLU 124 Cb 1.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1nee h GLU 124 CO 0.17 0.03 0.00 0.00 -1.16 0.00 0.00 179.01 178.05 1nee n ALA 125 N -2.77 -0.12 -0.55 3.43 0.00 -1.26 -3.69 120.51 115.55 1nee n ALA 125 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.76 1nee n ALA 125 Cb 1.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.97 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 1.92 0.16 3.32 0.00 0.00 -0.89 -4.77 105.19 104.93 1nee n GLY 127 Ca 0.12 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 1nee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nee s ALA 128 N -1.92 -1.05 0.04 4.61 0.00 -1.07 -3.66 121.76 118.71 1nee s ALA 128 Ca 0.00 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 1nee s ALA 128 Cb 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.13 1nee s ALA 128 CO 0.00 -0.28 0.42 0.21 0.00 0.00 0.00 175.76 176.11 1nee s LYS 129 N -1.12 0.93 -0.61 0.00 2.47 -1.26 -4.55 119.74 115.59 1nee s LYS 129 Ca -0.11 -0.34 -0.28 0.00 -1.56 0.00 0.00 55.97 53.68 1nee s LYS 129 Cb -0.04 0.42 0.03 0.00 -1.46 0.00 0.00 37.83 36.78 1nee s LYS 129 CO 0.05 -0.32 1.19 0.00 0.16 0.00 0.00 175.35 176.43 1nee s ALA 130 N -2.45 2.96 -0.01 3.13 0.00 0.02 -4.21 121.76 121.20 1nee s ALA 130 Ca -0.05 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 1nee s ALA 130 Cb -0.01 -4.06 -0.19 0.00 0.00 0.00 0.00 23.12 18.86 1nee s ALA 130 CO -0.02 -2.78 1.24 -1.00 0.00 0.00 0.00 175.76 173.20 1nee h PRO 131 N 9.63 0.16 0.00 0.00 0.13 -1.92 0.81 132.00 140.81 1nee h PRO 131 Ca -0.26 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1nee h PRO 131 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nee h PRO 131 CO 1.20 0.67 0.00 1.28 -0.23 0.00 0.00 178.00 180.92 1nee n LEU 132 N -4.68 0.00 0.00 1.56 4.77 -1.26 -4.35 117.00 113.04 1nee n LEU 132 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1nee n LEU 132 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1nee n LEU 132 CO 0.36 -0.44 0.00 0.29 -1.33 0.00 0.00 177.39 176.28 1nee n LYS 133 N -2.32 0.00 -4.23 3.23 4.01 -1.26 -5.00 118.16 112.60 1nee n LYS 133 Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 1nee n LYS 133 Cb 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.42 1nee n LYS 133 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1nee s ASN 134 N -1.33 0.46 0.00 4.39 0.01 -1.26 -5.12 114.94 112.09 1nee s ASN 134 Ca 0.00 -1.43 0.00 0.00 -0.71 0.00 0.00 52.86 50.72 1nee s ASN 134 Cb 0.00 0.37 0.00 0.00 0.41 0.00 0.00 41.25 42.03 1nee s ASN 134 CO 0.00 -0.85 0.00 0.55 -1.51 0.00 0.00 177.10 175.29