#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogy n ALA 3 N 0.00 0.00 -1.10 2.24 0.00 -1.26 -5.01 120.51 115.38 1ogy n ALA 3 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ogy n ALA 3 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1ogy n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ogy n PRO 4 N 0.00 0.00 0.00 0.00 -0.04 -1.26 -3.89 135.00 129.81 1ogy n PRO 4 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ogy n PRO 4 Cb 0.00 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1ogy n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ogy n ARG 5 N 6.24 0.00 0.00 0.54 5.12 -1.26 -4.22 116.66 123.08 1ogy n ARG 5 Ca 0.48 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 1ogy n ARG 5 Cb 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 1ogy n ARG 5 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ogy n LEU 6 N 0.00 0.00 -0.04 0.55 4.77 -1.25 0.61 117.00 121.64 1ogy n LEU 6 Ca 0.00 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 1ogy n LEU 6 Cb 0.00 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 1ogy n LEU 6 CO 0.00 -0.17 -0.91 0.35 -1.33 0.00 0.00 177.39 175.34 1ogy n THR 7 N -1.12 1.69 -0.00 -5.08 -2.24 -1.26 -4.74 114.28 101.53 1ogy n THR 7 Ca 0.00 -0.56 0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1ogy n THR 7 Cb 0.03 -1.71 -0.07 0.00 -2.10 0.00 0.00 70.33 66.48 1ogy n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogy n GLY 8 N 1.96 -0.39 2.31 3.38 0.00 0.20 -5.12 105.19 107.53 1ogy n GLY 8 Ca -0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 1ogy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy n ALA 9 N -1.79 -1.84 -1.75 4.61 0.00 0.88 -4.87 120.51 115.74 1ogy n ALA 9 Ca -0.02 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 1ogy n ALA 9 Cb 0.22 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.35 1ogy n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ogy n ASP 10 N 1.88 2.91 -0.69 0.00 -0.08 -1.26 -3.59 116.55 115.72 1ogy n ASP 10 Ca -0.00 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.30 1ogy n ASP 10 Cb 0.00 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 41.88 1ogy n ASP 10 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ogy n ARG 11 N -0.74 0.00 -0.02 -0.67 0.00 -1.26 -4.29 116.66 109.67 1ogy n ARG 11 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.93 1ogy n ARG 11 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 32.46 32.89 1ogy n ARG 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ogy n PRO 12 N -0.12 0.00 -0.73 2.89 -0.04 -1.24 -2.66 135.00 133.10 1ogy n PRO 12 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ogy n PRO 12 Cb 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 1ogy n PRO 12 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ogy n MET 13 N 0.02 -0.52 0.06 0.54 2.81 -1.26 -4.87 117.12 113.90 1ogy n MET 13 Ca 0.00 0.13 -0.12 0.00 -1.81 0.00 0.00 57.70 55.90 1ogy n MET 13 Cb 0.00 -4.25 -0.05 0.00 -0.71 0.00 0.00 33.22 28.21 1ogy n MET 13 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ogy h SER 14 N 0.00 -0.94 0.00 7.83 0.87 -1.74 -3.47 113.55 116.09 1ogy h SER 14 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1ogy h SER 14 Cb 0.26 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1ogy h SER 14 CO 0.00 -0.38 0.00 1.21 -0.53 0.00 0.00 176.83 177.13 1ogy n GLU 15 N -5.41 0.00 -4.65 2.24 2.13 -1.26 -5.17 120.64 108.52 1ogy n GLU 15 Ca -0.05 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.52 1ogy n GLU 15 Cb 0.32 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.89 1ogy n GLU 15 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ogy s VAL 16 N 0.00 1.63 0.02 6.31 1.01 -1.26 -5.12 120.40 122.99 1ogy s VAL 16 Ca 0.00 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 1ogy s VAL 16 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 1ogy s VAL 16 CO 0.00 0.21 0.60 0.00 0.00 0.00 0.00 175.10 175.91 1ogy s ALA 17 N -0.78 3.51 -0.34 5.51 0.00 -1.26 -5.04 121.76 123.35 1ogy s ALA 17 Ca 0.07 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 1ogy s ALA 17 Cb -0.09 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 1ogy s ALA 17 CO 0.02 0.22 0.37 0.00 0.00 0.00 0.00 175.76 176.37 1ogy s ALA 18 N -0.43 3.49 0.96 0.00 0.00 -1.26 -4.85 121.76 119.67 1ogy s ALA 18 Ca 0.31 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 1ogy s ALA 18 Cb -0.19 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1ogy s ALA 18 CO 0.18 -1.09 0.36 -2.30 0.00 0.00 0.00 175.76 172.91 1ogy n PRO 19 N 5.41 -0.32 -2.64 0.00 -0.02 -1.26 -4.93 135.00 131.24 1ogy n PRO 19 Ca -0.09 -0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 60.98 1ogy n PRO 19 Cb 0.49 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 1ogy n PRO 19 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ogy s PRO 20 N -3.59 4.18 0.10 0.52 0.04 -1.26 -4.94 135.00 130.04 1ogy s PRO 20 Ca 0.56 1.37 -0.35 0.00 0.04 0.00 0.00 61.00 62.63 1ogy s PRO 20 Cb -0.21 -2.43 -0.18 0.00 0.04 0.00 0.00 34.50 31.72 1ogy s PRO 20 CO 0.68 -0.11 0.93 1.28 0.04 0.00 0.00 177.00 179.83 1ogy n LEU 21 N -0.25 -0.02 -4.85 -3.56 4.77 -1.26 -4.90 117.00 106.92 1ogy n LEU 21 Ca 0.06 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.87 1ogy n LEU 21 Cb 0.51 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1ogy n LEU 21 CO 0.42 -2.09 0.59 -2.84 -1.33 0.00 0.00 177.39 172.15 1ogy s PRO 22 N -0.36 3.93 -0.10 3.23 0.02 -1.26 -5.03 135.00 135.43 1ogy s PRO 22 Ca 0.79 0.82 -0.11 0.00 0.02 0.00 0.00 61.00 62.52 1ogy s PRO 22 Cb -1.07 -2.23 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 1ogy s PRO 22 CO 0.55 -0.16 0.24 -1.83 -0.33 0.00 0.00 177.00 175.48 1ogy s GLU 23 N -3.86 3.79 0.67 5.54 -1.05 -1.26 -4.86 118.70 117.66 1ogy s GLU 23 Ca 0.57 0.06 -0.17 0.00 -0.15 0.00 0.00 54.97 55.27 1ogy s GLU 23 Cb -0.10 -3.26 -0.01 0.00 -0.44 0.00 0.00 34.13 30.32 1ogy s GLU 23 CO 0.29 0.62 1.18 2.41 0.95 0.00 0.00 175.26 180.70 1ogy n THR 24 N 2.36 4.19 -3.23 1.83 -1.04 -1.26 -2.18 114.28 114.94 1ogy n THR 24 Ca -0.16 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.05 60.96 1ogy n THR 24 Cb 0.53 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.63 1ogy n THR 24 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ogy s ILE 25 N -1.54 4.97 -1.12 12.58 1.01 0.12 -4.84 121.20 132.39 1ogy s ILE 25 Ca 0.80 -0.34 0.23 0.00 0.00 0.00 0.00 60.65 61.33 1ogy s ILE 25 Cb -0.37 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 37.84 1ogy s ILE 25 CO 0.44 -0.59 1.15 0.41 0.00 0.00 0.00 174.94 176.34 1ogy n THR 26 N 5.57 0.00 -1.74 2.92 -1.04 -1.26 -4.22 114.28 114.51 1ogy n THR 26 Ca -0.06 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 1ogy n THR 26 Cb 0.47 0.70 -0.03 0.00 -1.82 0.00 0.00 70.33 69.65 1ogy n THR 26 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1ogy s ASP 27 N -2.93 5.41 0.00 8.00 -4.77 -1.26 -4.66 116.67 116.46 1ogy s ASP 27 Ca 0.11 1.49 0.00 0.00 -3.30 0.00 0.00 52.55 50.85 1ogy s ASP 27 Cb 0.17 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 1ogy s ASP 27 CO 0.76 -2.06 0.00 0.47 0.70 0.00 0.00 175.17 175.04 1ogy n ASP 28 N 12.02 0.00 -4.58 2.11 8.00 -1.24 -4.75 116.55 128.11 1ogy n ASP 28 Ca 0.28 -0.61 -0.40 0.00 0.71 0.00 0.00 54.79 54.77 1ogy n ASP 28 Cb 0.47 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 1ogy n ASP 28 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ogy s ARG 29 N 1.61 3.85 0.65 -1.24 0.52 -1.26 -4.96 118.95 118.12 1ogy s ARG 29 Ca 0.00 -0.06 -0.18 0.00 -0.52 0.00 0.00 55.73 54.97 1ogy s ARG 29 Cb 0.00 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 1ogy s ARG 29 CO 0.00 -0.41 1.17 0.54 0.02 0.00 0.00 175.30 176.62 1ogy n ARG 30 N 5.45 0.96 -0.10 3.54 1.74 -1.26 -4.74 116.66 122.25 1ogy n ARG 30 Ca -0.07 0.38 -0.21 0.00 -0.77 0.00 0.00 57.85 57.18 1ogy n ARG 30 Cb 0.50 -2.40 -0.12 0.00 -1.02 0.00 0.00 32.46 29.42 1ogy n ARG 30 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ogy n VAL 31 N -1.99 1.57 0.00 1.55 0.31 -1.26 -5.09 118.33 113.42 1ogy n VAL 31 Ca 0.15 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1ogy n VAL 31 Cb 0.48 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1ogy n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ogy n GLY 32 N 1.99 1.60 3.93 2.92 0.00 -1.26 -4.49 105.19 109.88 1ogy n GLY 32 Ca -0.43 -1.17 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1ogy n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ogy s ARG 33 N -3.16 2.24 -0.10 1.61 3.00 -1.26 -4.71 118.95 116.57 1ogy s ARG 33 Ca 0.00 -2.00 0.13 0.00 0.00 0.00 0.00 55.73 53.85 1ogy s ARG 33 Cb 0.00 -2.16 -0.18 0.00 0.00 0.00 0.00 34.95 32.60 1ogy s ARG 33 CO 0.00 -0.70 0.12 0.09 0.00 0.00 0.00 175.30 174.81 1ogy n ASN 34 N -1.87 1.70 -4.08 0.23 3.02 -1.26 -5.02 115.26 107.98 1ogy n ASN 34 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.46 1ogy n ASN 34 Cb 0.64 1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 40.77 1ogy n ASN 34 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ogy s TYR 35 N -2.51 0.58 0.56 3.10 -0.85 -1.26 -4.50 117.35 112.47 1ogy s TYR 35 Ca -0.06 -0.80 -0.09 0.00 -0.52 0.00 0.00 57.07 55.60 1ogy s TYR 35 Cb 0.05 -0.38 0.14 0.00 0.38 0.00 0.00 41.96 42.16 1ogy s TYR 35 CO 0.56 -0.22 0.32 -2.30 -1.52 0.00 0.00 175.55 172.39 1ogy n PRO 36 N 0.67 -2.58 -0.34 -3.49 -0.02 -1.26 -2.28 135.00 125.71 1ogy n PRO 36 Ca -0.18 -0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 60.77 1ogy n PRO 36 Cb 0.58 -0.74 -0.00 0.00 -0.02 0.00 0.00 33.50 33.32 1ogy n PRO 36 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ogy n GLU 37 N -3.00 -1.89 -3.20 -0.52 1.02 -1.26 -4.84 120.64 106.94 1ogy n GLU 37 Ca 0.05 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.89 1ogy n GLU 37 Cb 0.22 -3.22 -0.08 0.00 -0.02 0.00 0.00 31.44 28.35 1ogy n GLU 37 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1ogy s GLN 38 N -0.69 3.26 -0.24 3.49 0.74 -0.97 -5.00 119.66 120.26 1ogy s GLN 38 Ca 0.00 -0.48 -0.39 0.00 0.05 0.00 0.00 55.36 54.55 1ogy s GLN 38 Cb 0.00 -3.94 -0.15 0.00 1.10 0.00 0.00 33.01 30.03 1ogy s GLN 38 CO 0.00 -0.90 1.78 -0.35 -0.55 0.00 0.00 175.29 175.27 1ogy n PRO 39 N 5.96 1.38 -1.48 1.67 -0.04 -1.26 -4.89 135.00 136.34 1ogy n PRO 39 Ca -0.04 0.51 -0.37 0.00 -0.04 0.00 0.00 63.50 63.56 1ogy n PRO 39 Cb 0.48 -2.23 0.06 0.00 -0.04 0.00 0.00 33.50 31.77 1ogy n PRO 39 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ogy n PRO 40 N 5.71 0.63 -3.42 0.54 -0.02 -1.26 -4.92 135.00 132.26 1ogy n PRO 40 Ca 0.26 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.69 1ogy n PRO 40 Cb 0.17 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1ogy n PRO 40 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ogy s VAL 41 N -1.68 4.99 -0.35 -1.45 1.01 -1.26 -4.32 120.40 117.34 1ogy s VAL 41 Ca 0.73 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.72 1ogy s VAL 41 Cb -0.39 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1ogy s VAL 41 CO 0.50 -0.13 1.00 -0.63 0.00 0.00 0.00 175.10 175.85 1ogy s ILE 42 N -1.88 4.53 -1.79 2.22 1.01 0.46 -4.78 121.20 120.98 1ogy s ILE 42 Ca 0.45 1.46 0.31 0.00 0.00 0.00 0.00 60.65 62.88 1ogy s ILE 42 Cb -0.11 -4.38 0.73 0.00 0.01 0.00 0.00 42.46 38.71 1ogy s ILE 42 CO 0.24 -0.52 2.13 -0.81 0.00 0.00 0.00 174.94 175.98 1ogy n PRO 43 N 6.86 0.80 -2.72 2.79 -0.04 -1.26 -3.93 135.00 137.49 1ogy n PRO 43 Ca 0.10 -0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1ogy n PRO 43 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1ogy n PRO 43 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ogy n HIS 44 N -1.06 0.21 -2.49 0.54 1.44 -1.26 -3.64 115.22 108.96 1ogy n HIS 44 Ca 0.20 -0.72 -0.29 0.00 -2.01 0.00 0.00 57.72 54.89 1ogy n HIS 44 Cb 0.18 -0.06 -0.01 0.00 0.12 0.00 0.00 29.99 30.22 1ogy n HIS 44 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ogy s SER 45 N -1.76 6.34 -0.09 4.39 0.15 -1.26 -4.83 113.70 116.64 1ogy s SER 45 Ca 0.02 1.14 -0.08 0.00 0.70 0.00 0.00 55.95 57.73 1ogy s SER 45 Cb 0.00 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1ogy s SER 45 CO 0.02 -0.61 -0.17 -0.38 1.20 0.00 0.00 173.24 173.30 1ogy n ILE 46 N -2.10 1.05 0.00 6.45 5.41 -1.26 -4.98 119.36 123.93 1ogy n ILE 46 Ca 0.03 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1ogy n ILE 46 Cb 0.54 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 1ogy n ILE 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ogy n GLU 47 N -3.79 0.00 0.00 0.38 -0.58 -1.26 -0.10 120.64 115.29 1ogy n GLU 47 Ca -0.17 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.64 1ogy n GLU 47 Cb 0.48 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.71 1ogy n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ogy n GLY 48 N 0.00 -0.83 3.68 0.62 0.00 -1.26 -4.81 105.19 102.59 1ogy n GLY 48 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1ogy n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ogy s TYR 49 N -2.67 2.42 -0.13 1.61 4.12 0.86 -5.00 117.35 118.56 1ogy s TYR 49 Ca 0.12 0.41 -0.06 0.00 0.02 0.00 0.00 57.07 57.56 1ogy s TYR 49 Cb 0.10 -3.88 -0.04 0.00 -1.52 0.00 0.00 41.96 36.62 1ogy s TYR 49 CO 0.24 -3.52 0.10 -1.14 0.02 0.00 0.00 175.55 171.24 1ogy s GLN 50 N 2.92 3.54 -0.28 -0.62 0.74 -1.26 -4.97 119.66 119.72 1ogy s GLN 50 Ca 0.71 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.89 1ogy s GLN 50 Cb -0.36 -3.14 0.08 0.00 1.10 0.00 0.00 33.01 30.69 1ogy s GLN 50 CO 0.30 0.62 0.04 -0.51 -0.55 0.00 0.00 175.29 175.18 1ogy s LEU 51 N -0.58 2.81 0.00 3.68 1.43 -1.26 -1.43 118.68 123.34 1ogy s LEU 51 Ca 0.12 -1.55 0.01 0.00 -1.03 0.00 0.00 54.13 51.68 1ogy s LEU 51 Cb -0.12 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 1ogy s LEU 51 CO 0.02 -0.34 0.13 -1.54 0.23 0.00 0.00 176.35 174.85 1ogy n SER 52 N 4.68 -0.34 0.24 2.29 3.41 0.16 -4.98 113.62 119.07 1ogy n SER 52 Ca -0.04 -1.74 0.08 0.00 -0.26 0.00 0.00 58.87 56.91 1ogy n SER 52 Cb 0.43 0.72 0.59 0.00 -0.26 0.00 0.00 64.21 65.68 1ogy n SER 52 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ogy h VAL 53 N 1.37 0.89 0.00 -3.33 2.07 -2.05 -3.08 116.25 112.13 1ogy h VAL 53 Ca -0.09 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ogy h VAL 53 Cb 0.43 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1ogy h VAL 53 CO 0.13 0.18 -1.65 0.59 0.02 0.00 0.00 177.57 176.83 1ogy n ASN 54 N -3.98 0.62 -3.64 0.57 3.02 -1.26 -5.02 115.26 105.57 1ogy n ASN 54 Ca -0.02 -0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.17 1ogy n ASN 54 Cb 0.26 1.68 -0.06 0.00 -0.61 0.00 0.00 39.78 41.05 1ogy n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ogy s ALA 55 N -3.22 -1.08 -0.31 5.41 0.00 -1.16 -5.11 121.76 116.29 1ogy s ALA 55 Ca -0.04 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 1ogy s ALA 55 Cb 0.13 0.38 0.12 0.00 0.00 0.00 0.00 23.12 23.75 1ogy s ALA 55 CO 0.80 -0.48 0.18 1.21 0.00 0.00 0.00 175.76 177.47 1ogy s ASN 56 N -2.06 3.15 0.28 0.00 3.84 -1.25 0.37 114.94 119.27 1ogy s ASN 56 Ca -0.05 -1.60 0.01 0.00 0.21 0.00 0.00 52.86 51.44 1ogy s ASN 56 Cb -0.01 -0.29 0.57 0.00 -0.55 0.00 0.00 41.25 40.97 1ogy s ASN 56 CO -0.03 -0.38 1.82 -0.09 -2.79 0.00 0.00 177.10 175.62 1ogy h ARG 57 N 7.85 0.88 -0.10 0.43 9.65 -1.62 -2.60 114.38 128.88 1ogy h ARG 57 Ca -0.09 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.77 1ogy h ARG 57 Cb 1.00 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.35 1ogy h ARG 57 CO 0.36 0.58 -0.10 0.00 2.80 0.00 0.00 179.97 183.61 1ogy n LEU 59 N -5.24 0.00 0.15 0.00 4.77 -0.98 -0.75 117.00 114.95 1ogy n LEU 59 Ca -0.04 0.18 0.04 0.00 -0.03 0.00 0.00 56.01 56.16 1ogy n LEU 59 Cb 0.17 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1ogy n LEU 59 CO 0.25 -0.18 0.52 -0.33 -1.33 0.00 0.00 177.39 176.32 1ogy h GLU 60 N 0.00 0.00 0.00 3.23 5.08 -1.43 -3.36 114.58 118.10 1ogy h GLU 60 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ogy h GLU 60 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ogy h GLU 60 CO 0.00 0.44 -1.10 0.00 -1.00 0.00 0.00 179.01 177.34 1ogy s HIS 62 N -2.07 3.87 0.33 0.00 3.76 -0.41 -4.78 115.29 115.99 1ogy s HIS 62 Ca -0.01 -2.34 -0.07 0.00 -0.15 0.00 0.00 55.06 52.49 1ogy s HIS 62 Cb 0.01 -3.71 0.01 0.00 1.11 0.00 0.00 32.58 29.99 1ogy s HIS 62 CO 0.07 -0.94 0.53 -0.98 -0.85 0.00 0.00 174.74 172.56 1ogy s ARG 63 N -0.36 1.88 -0.03 1.40 1.70 -1.26 -4.56 118.95 117.71 1ogy s ARG 63 Ca 0.22 -1.59 0.07 0.00 -0.47 0.00 0.00 55.73 53.96 1ogy s ARG 63 Cb -0.11 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 1ogy s ARG 63 CO -0.08 -0.80 -0.24 1.03 -1.08 0.00 0.00 175.30 174.13 1ogy s ARG 64 N -3.15 2.14 -0.02 3.89 0.52 -1.26 -2.60 118.95 118.47 1ogy s ARG 64 Ca 0.26 -0.86 -0.10 0.00 -0.52 0.00 0.00 55.73 54.51 1ogy s ARG 64 Cb -0.01 -1.96 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 1ogy s ARG 64 CO 0.16 0.46 0.31 1.14 0.02 0.00 0.00 175.30 177.39 1ogy s GLN 65 N -0.40 3.70 0.00 3.54 1.03 -1.26 -5.03 119.66 121.24 1ogy s GLN 65 Ca 0.04 0.13 0.00 0.00 0.04 0.00 0.00 55.36 55.58 1ogy s GLN 65 Cb -0.11 -3.15 0.00 0.00 0.03 0.00 0.00 33.01 29.78 1ogy s GLN 65 CO 0.01 0.69 0.00 0.66 -2.54 0.00 0.00 175.29 174.10 1ogy n TYR 66 N 1.57 0.00 -2.25 9.60 4.02 -1.26 -4.75 117.16 124.10 1ogy n TYR 66 Ca -0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.67 1ogy n TYR 66 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.83 1ogy n TYR 66 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1ogy n SER 67 N 0.00 -0.26 0.00 7.72 3.41 -1.26 0.92 113.62 124.15 1ogy n SER 67 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1ogy n SER 67 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1ogy n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ogy n GLY 68 N -0.74 3.14 3.90 5.00 0.00 -1.26 -5.03 105.19 110.20 1ogy n GLY 68 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ogy n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 69 N 0.00 3.27 -0.18 0.99 1.43 0.26 -5.08 118.68 119.38 1ogy s LEU 69 Ca 0.00 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1ogy s LEU 69 Cb 0.00 -3.88 0.02 0.00 0.03 0.00 0.00 46.19 42.37 1ogy s LEU 69 CO 0.00 -0.95 -0.17 -0.69 0.23 0.00 0.00 176.35 174.77 1ogy s VAL 70 N -3.03 1.89 0.21 -1.59 1.01 -1.26 -4.41 120.40 113.22 1ogy s VAL 70 Ca 0.53 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1ogy s VAL 70 Cb -0.11 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1ogy s VAL 70 CO 0.48 0.47 0.06 0.00 0.00 0.00 0.00 175.10 176.11 1ogy s ALA 71 N 1.35 1.42 0.15 5.51 0.00 -1.26 -5.11 121.76 123.82 1ogy s ALA 71 Ca 0.04 -1.70 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 1ogy s ALA 71 Cb -0.13 0.90 -0.07 0.00 0.00 0.00 0.00 23.12 23.81 1ogy s ALA 71 CO -0.12 -0.43 1.16 0.00 0.00 0.00 0.00 175.76 176.38 1ogy s ALA 72 N -3.81 3.40 0.31 0.00 0.00 -1.26 -4.79 121.76 115.61 1ogy s ALA 72 Ca 0.32 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 1ogy s ALA 72 Cb 0.07 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1ogy s ALA 72 CO 0.09 -0.33 1.34 -1.25 0.00 0.00 0.00 175.76 175.61 1ogy s PRO 73 N 0.04 4.33 0.00 0.00 0.04 -1.26 -4.85 135.00 133.29 1ogy s PRO 73 Ca 0.53 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.81 1ogy s PRO 73 Cb -0.31 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1ogy s PRO 73 CO 0.34 -0.26 0.54 -1.33 0.04 0.00 0.00 177.00 176.33 1ogy n MET 74 N 1.26 -0.51 -3.71 4.56 2.81 -1.07 -5.01 117.12 115.44 1ogy n MET 74 Ca 0.02 -0.59 -0.14 0.00 -1.81 0.00 0.00 57.70 55.17 1ogy n MET 74 Cb 0.41 -0.98 -0.08 0.00 -0.71 0.00 0.00 33.22 31.86 1ogy n MET 74 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1ogy s ILE 75 N -0.11 0.03 0.36 2.02 -4.36 -1.26 -4.36 121.20 113.52 1ogy s ILE 75 Ca 0.00 -0.29 -0.24 0.00 -0.26 0.00 0.00 60.65 59.86 1ogy s ILE 75 Cb 0.00 -0.67 -0.10 0.00 1.25 0.00 0.00 42.46 42.93 1ogy s ILE 75 CO 0.00 -0.16 0.95 -0.94 0.24 0.00 0.00 174.94 175.03 1ogy s SER 76 N -0.95 7.20 0.00 4.36 1.04 -1.26 -4.85 113.70 119.23 1ogy s SER 76 Ca -0.10 1.79 0.08 0.00 0.48 0.00 0.00 55.95 58.20 1ogy s SER 76 Cb -0.04 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.89 1ogy s SER 76 CO 0.04 -0.17 1.19 -0.38 0.98 0.00 0.00 173.24 174.90 1ogy n ILE 77 N 0.15 1.15 0.37 -1.02 5.41 -1.26 -1.41 119.36 122.75 1ogy n ILE 77 Ca 0.04 0.29 0.11 0.00 1.00 0.00 0.00 62.75 64.18 1ogy n ILE 77 Cb 0.51 -1.15 0.46 0.00 -0.71 0.00 0.00 39.64 38.75 1ogy n ILE 77 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1ogy n THR 78 N -1.40 0.91 1.69 1.39 -2.24 -1.26 -0.46 114.28 112.92 1ogy n THR 78 Ca 0.03 0.30 0.14 0.00 -2.27 0.00 0.00 64.05 62.25 1ogy n THR 78 Cb 0.08 -1.22 0.65 0.00 -2.10 0.00 0.00 70.33 67.74 1ogy n THR 78 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ogy n HIS 79 N -2.11 0.03 0.76 4.78 8.25 -0.50 -3.21 115.22 123.22 1ogy n HIS 79 Ca 0.02 -0.02 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1ogy n HIS 79 Cb 0.19 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1ogy n HIS 79 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ogy n PHE 80 N -0.33 0.04 -2.86 4.41 0.99 0.39 -1.30 117.46 118.80 1ogy n PHE 80 Ca 0.20 0.01 -0.39 0.00 -0.00 0.00 0.00 57.45 57.27 1ogy n PHE 80 Cb 0.23 -0.17 -0.06 0.00 -1.00 0.00 0.00 39.48 38.48 1ogy n PHE 80 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1ogy s GLN 81 N -3.12 4.68 0.45 -1.08 -0.21 -1.20 -1.60 119.66 117.58 1ogy s GLN 81 Ca 0.05 1.31 0.04 0.00 0.02 0.00 0.00 55.36 56.77 1ogy s GLN 81 Cb 0.16 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.99 1ogy s GLN 81 CO 0.85 0.50 0.64 0.16 -2.12 0.00 0.00 175.29 175.32 1ogy s ASP 82 N -1.26 5.64 0.27 5.90 -4.77 0.16 -4.76 116.67 117.85 1ogy s ASP 82 Ca 0.40 -0.06 -0.28 0.00 -3.30 0.00 0.00 52.55 49.31 1ogy s ASP 82 Cb -0.23 -1.06 -0.15 0.00 -1.09 0.00 0.00 42.92 40.39 1ogy s ASP 82 CO 0.28 -0.80 0.89 -1.14 0.70 0.00 0.00 175.17 175.10 1ogy n ARG 83 N -2.02 1.03 -0.25 2.11 0.63 -1.26 0.14 116.66 117.03 1ogy n ARG 83 Ca 0.05 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1ogy n ARG 83 Cb 0.59 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.85 1ogy n ARG 83 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ogy n GLU 84 N 0.77 0.00 -0.54 -0.14 4.71 -1.26 -4.46 120.64 119.72 1ogy n GLU 84 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1ogy n GLU 84 Cb 0.31 -0.85 0.00 0.00 -1.01 0.00 0.00 31.44 29.89 1ogy n GLU 84 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ogy n GLY 85 N -2.00 0.66 3.76 0.62 0.00 0.36 -4.98 105.19 103.62 1ogy n GLY 85 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ogy n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ogy s GLN 86 N -0.42 3.46 -0.45 1.61 -1.52 -1.24 -4.56 119.66 116.55 1ogy s GLN 86 Ca 0.00 2.20 -0.16 0.00 -1.95 0.00 0.00 55.36 55.45 1ogy s GLN 86 Cb 0.00 -2.43 0.04 0.00 -0.22 0.00 0.00 33.01 30.40 1ogy s GLN 86 CO 0.00 -0.92 0.40 1.41 -0.25 0.00 0.00 175.29 175.93 1ogy s MET 87 N -2.69 3.01 0.98 2.91 1.75 -1.26 -0.67 119.30 123.34 1ogy s MET 87 Ca 0.66 -1.08 -0.12 0.00 -1.25 0.00 0.00 55.69 53.90 1ogy s MET 87 Cb -0.39 -4.05 0.18 0.00 2.84 0.00 0.00 34.83 33.41 1ogy s MET 87 CO 0.48 -0.92 1.09 -0.51 -0.65 0.00 0.00 175.02 174.51 1ogy s LEU 88 N 1.85 1.72 -0.09 4.11 1.43 -0.63 -4.93 118.68 122.15 1ogy s LEU 88 Ca 0.07 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 1ogy s LEU 88 Cb -0.21 -3.50 0.20 0.00 0.03 0.00 0.00 46.19 42.71 1ogy s LEU 88 CO 0.10 -3.07 1.05 0.00 0.23 0.00 0.00 176.35 174.66 1ogy n ALA 89 N -4.14 3.11 0.00 4.21 0.00 -1.26 -4.86 120.51 117.57 1ogy n ALA 89 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1ogy n ALA 89 Cb 0.57 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1ogy n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ogy n ASP 90 N 0.11 0.00 -4.55 0.00 2.03 -1.26 -5.13 116.55 107.75 1ogy n ASP 90 Ca 0.12 0.00 -0.55 0.00 0.52 0.00 0.00 54.79 54.88 1ogy n ASP 90 Cb 0.67 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.00 1ogy n ASP 90 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ogy n VAL 91 N -0.44 0.10 -2.79 5.18 0.31 -1.26 -4.66 118.33 114.77 1ogy n VAL 91 Ca 0.00 -0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 63.99 1ogy n VAL 91 Cb 0.00 -0.44 -0.04 0.00 -0.91 0.00 0.00 33.84 32.44 1ogy n VAL 91 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ogy s SER 92 N 0.21 6.64 0.51 4.52 1.04 -0.42 -4.95 113.70 121.26 1ogy s SER 92 Ca 0.86 1.34 0.21 0.00 0.48 0.00 0.00 55.95 58.84 1ogy s SER 92 Cb -1.09 -2.41 1.30 0.00 0.10 0.00 0.00 66.02 63.93 1ogy s SER 92 CO 0.52 -0.41 2.02 -0.65 0.98 0.00 0.00 173.24 175.70 1ogy h PRO 93 N 1.44 0.08 -6.81 4.02 0.11 -1.91 -3.29 132.00 125.64 1ogy h PRO 93 Ca -0.47 -0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.13 1ogy h PRO 93 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ogy h PRO 93 CO 0.63 0.05 0.43 -0.98 -0.21 0.00 0.00 178.00 177.92 1ogy s ARG 94 N -5.10 4.66 0.00 1.05 1.70 -1.26 -1.66 118.95 118.33 1ogy s ARG 94 Ca -0.06 1.67 0.00 0.00 -0.47 0.00 0.00 55.73 56.87 1ogy s ARG 94 Cb 0.19 -3.14 0.00 0.00 -0.57 0.00 0.00 34.95 31.43 1ogy s ARG 94 CO 0.72 0.28 0.00 0.54 -1.08 0.00 0.00 175.30 175.76 1ogy n ARG 95 N 1.14 0.00 0.19 3.89 5.12 -1.26 -4.94 116.66 120.81 1ogy n ARG 95 Ca -0.01 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 1ogy n ARG 95 Cb 0.46 -0.26 -0.07 0.00 -1.16 0.00 0.00 32.46 31.43 1ogy n ARG 95 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1ogy h TYR 96 N 0.00 -0.77 -2.31 -1.55 3.20 -1.39 -3.31 116.97 110.84 1ogy h TYR 96 Ca 0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1ogy h TYR 96 Cb 0.00 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 38.49 1ogy h TYR 96 CO 0.00 -0.41 1.08 -0.06 -1.64 0.00 0.00 178.16 177.12 1ogy s PHE 97 N -6.05 2.29 0.05 -3.82 0.40 -1.26 -4.81 117.98 104.78 1ogy s PHE 97 Ca -0.16 -0.08 -0.20 0.00 -0.60 0.00 0.00 56.93 55.89 1ogy s PHE 97 Cb 0.06 -4.63 -0.13 0.00 0.51 0.00 0.00 43.02 38.83 1ogy s PHE 97 CO 0.64 -2.07 1.38 0.00 0.70 0.00 0.00 175.22 175.86 1ogy n THR 99 N -4.59 0.41 0.11 0.00 -2.24 -1.26 -0.63 114.28 106.08 1ogy n THR 99 Ca -0.06 0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 62.24 1ogy n THR 99 Cb 0.33 -1.53 0.03 0.00 -2.10 0.00 0.00 70.33 67.06 1ogy n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ogy h ALA 100 N 0.44 0.63 0.00 6.98 0.00 -1.97 -3.38 119.26 121.95 1ogy h ALA 100 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ogy h ALA 100 Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ogy h ALA 100 CO 0.00 0.89 -0.92 0.00 0.00 0.00 0.00 179.25 179.22 1ogy s HIS 102 N -1.92 3.29 -0.04 0.00 3.76 -0.83 -4.84 115.29 114.71 1ogy s HIS 102 Ca 0.00 0.30 0.06 0.00 -0.15 0.00 0.00 55.06 55.27 1ogy s HIS 102 Cb 0.00 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.27 1ogy s HIS 102 CO 0.00 -0.06 -0.20 0.08 -0.85 0.00 0.00 174.74 173.71 1ogy s VAL 103 N 1.47 2.51 0.85 -0.90 1.01 -1.26 -4.44 120.40 119.64 1ogy s VAL 103 Ca 0.11 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1ogy s VAL 103 Cb -0.15 -1.93 0.16 0.00 0.00 0.00 0.00 36.38 34.45 1ogy s VAL 103 CO 0.08 0.58 1.19 -2.16 0.00 0.00 0.00 175.10 174.79 1ogy s PRO 104 N -0.58 1.20 0.05 2.72 0.04 -1.26 -0.41 135.00 136.77 1ogy s PRO 104 Ca 0.08 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1ogy s PRO 104 Cb -0.11 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ogy s PRO 104 CO 0.00 -1.95 -0.05 -0.65 0.04 0.00 0.00 177.00 174.39 1ogy s GLN 105 N -5.59 0.59 0.48 4.56 -0.21 -1.25 -4.80 119.66 113.45 1ogy s GLN 105 Ca 0.69 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 55.07 1ogy s GLN 105 Cb -0.06 -0.00 -0.02 0.00 1.00 0.00 0.00 33.01 33.93 1ogy s GLN 105 CO 0.49 -0.05 0.07 0.95 -2.12 0.00 0.00 175.29 174.63 1ogy s THR 106 N -2.89 1.50 -0.77 -0.19 -4.23 -1.26 0.16 115.64 107.96 1ogy s THR 106 Ca 0.00 -1.91 -0.22 0.00 -1.18 0.00 0.00 61.69 58.38 1ogy s THR 106 Cb 0.00 -2.41 0.08 0.00 1.34 0.00 0.00 72.50 71.51 1ogy s THR 106 CO -0.05 0.00 1.09 0.21 -0.54 0.00 0.00 174.62 175.33 1ogy s ASN 107 N -3.89 6.31 -0.03 3.99 2.47 -0.93 -4.84 114.94 118.03 1ogy s ASN 107 Ca 0.18 -1.21 -0.01 0.00 0.42 0.00 0.00 52.86 52.24 1ogy s ASN 107 Cb 0.03 -2.45 0.02 0.00 -1.45 0.00 0.00 41.25 37.41 1ogy s ASN 107 CO 0.10 -1.41 0.05 0.00 -3.72 0.00 0.00 177.10 172.12 1ogy s ALA 108 N 4.04 -0.03 -0.22 1.71 0.00 -1.26 -4.60 121.76 121.41 1ogy s ALA 108 Ca 0.28 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 1ogy s ALA 108 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1ogy s ALA 108 CO 0.04 -0.10 0.84 -0.65 0.00 0.00 0.00 175.76 175.90 1ogy s GLN 109 N 0.83 4.23 0.20 0.00 -0.21 -1.26 -4.98 119.66 118.46 1ogy s GLN 109 Ca -0.07 0.99 -0.33 0.00 0.02 0.00 0.00 55.36 55.98 1ogy s GLN 109 Cb -0.09 -3.62 -0.14 0.00 1.00 0.00 0.00 33.01 30.16 1ogy s GLN 109 CO -0.03 -0.46 1.43 -2.30 -2.12 0.00 0.00 175.29 171.81 1ogy n PRO 110 N 5.76 1.91 0.00 2.91 -0.02 -1.26 -4.81 135.00 139.48 1ogy n PRO 110 Ca 0.06 0.68 0.07 0.00 -2.02 0.00 0.00 63.50 62.29 1ogy n PRO 110 Cb 0.48 -2.35 0.32 0.00 -0.02 0.00 0.00 33.50 31.92 1ogy n PRO 110 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ogy n LEU 111 N 2.53 0.02 -3.63 2.45 4.77 -1.26 -4.69 117.00 117.19 1ogy n LEU 111 Ca 0.14 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1ogy n LEU 111 Cb 0.29 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 1ogy n LEU 111 CO 0.63 -0.26 0.50 -0.69 -1.33 0.00 0.00 177.39 176.24 1ogy s VAL 112 N -3.01 0.00 0.43 4.08 1.01 -1.26 -5.08 120.40 116.57 1ogy s VAL 112 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1ogy s VAL 112 Cb 0.10 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1ogy s VAL 112 CO 0.27 0.00 1.14 0.42 0.00 0.00 0.00 175.10 176.93 1ogy s THR 113 N 0.47 3.26 -0.24 3.92 -4.23 -1.26 -5.02 115.64 112.53 1ogy s THR 113 Ca -0.00 0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 61.41 1ogy s THR 113 Cb -0.05 -3.50 -0.02 0.00 1.34 0.00 0.00 72.50 70.26 1ogy s THR 113 CO -0.03 0.01 0.04 0.21 -0.54 0.00 0.00 174.62 174.31 1ogy s ASN 114 N -1.37 4.89 -0.23 3.99 3.84 -1.26 -4.99 114.94 119.82 1ogy s ASN 114 Ca 0.61 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.42 1ogy s ASN 114 Cb -0.27 -1.87 0.21 0.00 -0.55 0.00 0.00 41.25 38.77 1ogy s ASN 114 CO 0.34 -0.03 1.77 -0.62 -2.79 0.00 0.00 177.10 175.77 1ogy n GLU 115 N 4.86 1.60 -2.22 0.43 1.02 -1.26 -4.82 120.64 120.25 1ogy n GLU 115 Ca -0.17 -1.25 -0.41 0.00 -0.02 0.00 0.00 57.16 55.31 1ogy n GLU 115 Cb 0.51 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 1ogy n GLU 115 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ogy s PHE 116 N -1.43 3.26 0.07 -0.32 5.36 -1.26 -4.88 117.98 118.77 1ogy s PHE 116 Ca 0.24 1.20 0.02 0.00 -0.96 0.00 0.00 56.93 57.44 1ogy s PHE 116 Cb 0.20 -3.61 -0.04 0.00 -0.34 0.00 0.00 43.02 39.23 1ogy s PHE 116 CO 0.01 -1.91 0.09 1.03 -1.46 0.00 0.00 175.22 172.98 1ogy s ARG 117 N -0.01 2.95 0.47 10.12 1.81 -1.26 -1.53 118.95 131.50 1ogy s ARG 117 Ca 0.57 -0.64 -0.21 0.00 -1.72 0.00 0.00 55.73 53.73 1ogy s ARG 117 Cb -0.36 -2.77 -0.08 0.00 -0.45 0.00 0.00 34.95 31.28 1ogy s ARG 117 CO 0.38 0.58 1.06 0.34 -0.68 0.00 0.00 175.30 176.97 1ogy s ASP 118 N -2.31 6.36 0.12 0.23 2.15 -0.80 -4.80 116.67 117.63 1ogy s ASP 118 Ca 0.29 2.01 -0.20 0.00 0.43 0.00 0.00 52.55 55.08 1ogy s ASP 118 Cb -0.12 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.88 1ogy s ASP 118 CO 0.21 -0.77 1.73 0.24 -0.17 0.00 0.00 175.17 176.42 1ogy h MET 119 N 1.78 0.09 -5.88 4.34 2.86 -1.92 -3.26 114.93 112.93 1ogy h MET 119 Ca -0.49 -0.01 -0.59 0.00 -2.06 0.00 0.00 59.70 56.55 1ogy h MET 119 Cb 1.23 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.80 1ogy h MET 119 CO 0.60 0.06 -0.18 -0.51 1.06 0.00 0.00 176.91 177.93 1ogy s LEU 120 N -10.29 4.39 -0.62 1.22 1.02 -1.26 -4.44 118.68 108.70 1ogy s LEU 120 Ca -0.13 0.89 -0.04 0.00 0.02 0.00 0.00 54.13 54.87 1ogy s LEU 120 Cb 0.09 -2.62 0.00 0.00 0.02 0.00 0.00 46.19 43.69 1ogy s LEU 120 CO 0.68 0.19 0.63 0.35 0.02 0.00 0.00 176.35 178.22 1ogy n THR 121 N 2.61 -9.81 -0.08 5.49 -2.24 -1.26 -4.59 114.28 104.40 1ogy n THR 121 Ca -0.11 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ogy n THR 121 Cb 0.52 -6.80 0.00 0.00 -2.10 0.00 0.00 70.33 61.94 1ogy n THR 121 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ogy n LEU 122 N -1.36 0.00 -4.89 3.22 4.77 -1.23 -4.43 117.00 113.08 1ogy n LEU 122 Ca 0.03 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.14 1ogy n LEU 122 Cb 0.48 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1ogy n LEU 122 CO 0.48 -0.64 -0.10 -0.32 -1.33 0.00 0.00 177.39 175.48 1ogy s MET 123 N 2.54 3.52 0.04 3.23 1.75 -1.26 -4.74 119.30 124.37 1ogy s MET 123 Ca 0.00 -0.16 -0.36 0.00 -1.25 0.00 0.00 55.69 53.92 1ogy s MET 123 Cb 0.00 -3.10 -0.15 0.00 2.84 0.00 0.00 34.83 34.42 1ogy s MET 123 CO 0.00 0.67 1.53 -2.30 -0.65 0.00 0.00 175.02 174.27 1ogy n PRO 124 N 1.17 1.55 -1.68 4.11 -0.02 -1.26 -1.90 135.00 136.98 1ogy n PRO 124 Ca -0.12 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 1ogy n PRO 124 Cb 0.53 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1ogy n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ogy n ALA 125 N 3.64 1.02 -3.68 3.55 0.00 -0.58 -4.82 120.51 119.64 1ogy n ALA 125 Ca 0.20 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 1ogy n ALA 125 Cb 0.22 -2.21 -0.14 0.00 0.00 0.00 0.00 19.45 17.32 1ogy n ALA 125 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ogy s SER 126 N -0.37 0.29 -0.16 0.00 1.04 -1.26 -5.00 113.70 108.24 1ogy s SER 126 Ca 0.56 0.52 -0.12 0.00 0.48 0.00 0.00 55.95 57.39 1ogy s SER 126 Cb -0.59 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.00 1ogy s SER 126 CO 0.62 -0.22 -0.27 0.59 0.98 0.00 0.00 173.24 174.94 1ogy n ASN 127 N 5.08 1.63 0.00 7.02 3.02 -1.26 -5.07 115.26 125.68 1ogy n ASN 127 Ca -0.10 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1ogy n ASN 127 Cb 0.50 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1ogy n ASN 127 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85