#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c8i n TYR 14 N 0.00 0.98 -2.55 -2.53 4.02 -1.26 -5.07 117.16 110.74 3c8i n TYR 14 Ca 0.00 -3.75 -0.26 0.00 -0.01 0.00 0.00 57.90 53.88 3c8i n TYR 14 Cb 0.00 -0.30 0.02 0.00 -0.02 0.00 0.00 39.34 39.04 3c8i n TYR 14 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3c8i s ASP 15 N -1.27 5.80 0.16 7.72 1.01 -1.26 -4.87 116.67 123.96 3c8i s ASP 15 Ca 0.34 0.70 -0.30 0.00 0.71 0.00 0.00 52.55 54.00 3c8i s ASP 15 Cb 0.11 -1.81 -0.07 0.00 1.01 0.00 0.00 42.92 42.15 3c8i s ASP 15 CO -0.11 -0.88 1.06 -0.76 0.21 0.00 0.00 175.17 174.68 3c8i s LEU 16 N -4.86 4.50 0.06 1.23 1.43 -1.26 -3.80 118.68 115.99 3c8i s LEU 16 Ca 0.51 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 55.69 3c8i s LEU 16 Cb -0.10 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 3c8i s LEU 16 CO 0.44 -0.16 -0.20 0.68 0.23 0.00 0.00 176.35 177.34 3c8i s VAL 17 N -0.24 1.64 0.33 -1.59 -7.23 0.48 -4.97 120.40 108.83 3c8i s VAL 17 Ca 0.48 -1.31 -0.27 0.00 -1.81 0.00 0.00 61.98 59.07 3c8i s VAL 17 Cb -0.28 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.12 3c8i s VAL 17 CO 0.33 0.09 1.10 -2.16 -0.31 0.00 0.00 175.10 174.15 3c8i s PRO 18 N -1.44 4.42 0.12 4.82 0.04 -1.26 -1.30 135.00 140.40 3c8i s PRO 18 Ca 0.07 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.85 3c8i s PRO 18 Cb -0.09 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 3c8i s PRO 18 CO 0.03 0.03 -0.06 0.00 0.04 0.00 0.00 177.00 177.04 3c8i s ALA 19 N -1.34 1.10 -0.10 8.56 0.00 -0.47 -1.74 121.76 127.77 3c8i s ALA 19 Ca 0.50 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 3c8i s ALA 19 Cb -0.29 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.11 3c8i s ALA 19 CO 0.37 -0.24 0.47 1.41 0.00 0.00 0.00 175.76 177.77 3c8i s MET 20 N -3.84 0.71 -0.10 0.00 0.00 -0.16 -0.17 119.30 115.74 3c8i s MET 20 Ca 0.15 0.30 -0.30 0.00 0.00 0.00 0.00 55.69 55.84 3c8i s MET 20 Cb 0.05 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.18 3c8i s MET 20 CO -0.02 -0.16 1.45 0.42 0.00 0.00 0.00 175.02 176.70 3c8i s ILE 21 N -0.59 3.92 -0.05 10.11 1.01 -0.72 -0.93 121.20 133.96 3c8i s ILE 21 Ca -0.07 1.14 0.17 0.00 0.00 0.00 0.00 60.65 61.89 3c8i s ILE 21 Cb -0.03 -3.73 -0.26 0.00 0.01 0.00 0.00 42.46 38.44 3c8i s ILE 21 CO 0.04 -0.09 0.33 0.00 0.00 0.00 0.00 174.94 175.21 3c8i n ALA 22 N 6.73 2.45 -3.60 9.38 0.00 0.90 0.27 120.51 136.65 3c8i n ALA 22 Ca 0.15 -0.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.89 3c8i n ALA 22 Cb 0.44 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 3c8i n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3c8i s GLU 23 N -3.08 0.87 -0.07 0.00 2.12 -1.10 -4.92 118.70 112.52 3c8i s GLU 23 Ca -0.07 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.02 3c8i s GLU 23 Cb 0.10 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.92 3c8i s GLU 23 CO 0.73 -0.16 -0.15 0.08 -0.54 0.00 0.00 175.26 175.22 3c8i s VAL 24 N -0.12 1.35 0.29 3.70 1.01 -1.26 -0.60 120.40 124.76 3c8i s VAL 24 Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3c8i s VAL 24 Cb -0.03 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 3c8i s VAL 24 CO 0.03 0.40 0.04 0.20 0.00 0.00 0.00 175.10 175.77 3c8i s ASN 25 N 0.54 2.15 0.23 3.32 0.01 0.12 -5.01 114.94 116.30 3c8i s ASN 25 Ca -0.15 -1.33 -0.06 0.00 -0.71 0.00 0.00 52.86 50.61 3c8i s ASN 25 Cb -0.16 -0.04 0.31 0.00 0.41 0.00 0.00 41.25 41.77 3c8i s ASN 25 CO 0.05 -0.58 1.84 -0.65 -1.51 0.00 0.00 177.10 176.25 3c8i h PRO 26 N 2.24 0.87 0.00 -0.60 0.11 -2.04 -3.25 132.00 129.33 3c8i h PRO 26 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3c8i h PRO 26 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3c8i h PRO 26 CO 0.67 0.58 -1.37 0.54 -0.21 0.00 0.00 178.00 178.21 3c8i n ARG 27 N -4.66 0.28 -3.83 1.05 1.74 -1.26 -5.04 116.66 104.94 3c8i n ARG 27 Ca 0.11 -0.07 -0.07 0.00 -0.77 0.00 0.00 57.85 57.05 3c8i n ARG 27 Cb 0.18 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3c8i n ARG 27 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3c8i s ASP 28 N -3.68 -0.05 0.17 0.55 -4.77 -1.23 -4.75 116.67 102.91 3c8i s ASP 28 Ca 0.02 -0.90 0.06 0.00 -3.30 0.00 0.00 52.55 48.42 3c8i s ASP 28 Cb 0.15 0.73 -0.04 0.00 -1.09 0.00 0.00 42.92 42.66 3c8i s ASP 28 CO 0.88 -1.42 -0.12 0.00 0.70 0.00 0.00 175.17 175.20 3c8i s MET 29 N -2.58 1.18 -0.16 2.11 0.23 0.03 -0.70 119.30 119.40 3c8i s MET 29 Ca 0.16 -1.49 -0.01 0.00 -1.03 0.00 0.00 55.69 53.32 3c8i s MET 29 Cb -0.04 -0.87 -0.01 0.00 -1.53 0.00 0.00 34.83 32.37 3c8i s MET 29 CO 0.09 0.13 -0.11 0.08 -2.03 0.00 0.00 175.02 173.18 3c8i s VAL 30 N -3.05 2.99 -0.02 5.16 1.01 0.23 -0.13 120.40 126.60 3c8i s VAL 30 Ca 0.18 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3c8i s VAL 30 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3c8i s VAL 30 CO 0.04 0.50 0.03 -0.69 0.00 0.00 0.00 175.10 174.97 3c8i s VAL 31 N 0.83 4.39 -0.08 2.92 1.01 -0.28 -0.07 120.40 129.12 3c8i s VAL 31 Ca -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3c8i s VAL 31 Cb -0.15 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3c8i s VAL 31 CO 0.00 0.41 -0.19 -0.32 0.00 0.00 0.00 175.10 175.01 3c8i s MET 32 N -1.50 2.80 0.12 2.72 1.75 -0.11 -1.05 119.30 124.03 3c8i s MET 32 Ca 0.20 -0.78 0.11 0.00 -1.25 0.00 0.00 55.69 53.96 3c8i s MET 32 Cb -0.12 -2.36 -0.04 0.00 2.84 0.00 0.00 34.83 35.15 3c8i s MET 32 CO 0.10 0.39 -0.26 0.00 -0.65 0.00 0.00 175.02 174.60 3c8i s ALA 33 N -0.15 2.31 -0.37 4.11 0.00 0.69 -0.99 121.76 127.37 3c8i s ALA 33 Ca -0.02 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 3c8i s ALA 33 Cb -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3c8i s ALA 33 CO 0.04 0.52 0.46 -1.17 0.00 0.00 0.00 175.76 175.61 3c8i s LEU 34 N -1.98 4.50 0.18 0.00 2.96 -0.71 -1.07 118.68 122.57 3c8i s LEU 34 Ca 0.13 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 3c8i s LEU 34 Cb -0.10 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3c8i s LEU 34 CO 0.06 -0.48 -0.17 0.68 -1.32 0.00 0.00 176.35 175.11 3c8i s VAL 35 N 2.26 1.82 -0.31 1.68 -7.23 0.19 -4.35 120.40 114.47 3c8i s VAL 35 Ca 0.15 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 3c8i s VAL 35 Cb -0.16 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3c8i s VAL 35 CO 0.13 -0.41 0.20 0.21 -0.31 0.00 0.00 175.10 174.93 3c8i s ASN 36 N -2.91 5.98 0.00 4.85 2.47 -1.26 -0.19 114.94 123.87 3c8i s ASN 36 Ca 0.18 -0.22 0.30 0.00 0.42 0.00 0.00 52.86 53.54 3c8i s ASN 36 Cb -0.04 -2.11 1.50 0.00 -1.45 0.00 0.00 41.25 39.14 3c8i s ASN 36 CO 0.07 -0.14 2.02 0.35 -3.72 0.00 0.00 177.10 175.69 3c8i n THR 37 N 5.07 0.00 -2.29 -5.21 -2.24 0.13 -4.84 114.28 104.91 3c8i n THR 37 Ca -0.13 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3c8i n THR 37 Cb 0.51 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 3c8i n THR 37 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3c8i s ASN 38 N -2.41 6.96 0.23 3.42 0.01 -1.26 -0.30 114.94 121.58 3c8i s ASN 38 Ca 0.33 2.22 -0.04 0.00 -0.71 0.00 0.00 52.86 54.65 3c8i s ASN 38 Cb 0.21 -2.59 0.24 0.00 0.41 0.00 0.00 41.25 39.52 3c8i s ASN 38 CO 0.44 -0.54 1.70 0.58 -1.51 0.00 0.00 177.10 177.78 3c8i h VAL 39 N 4.21 1.26 -3.62 1.60 2.07 -1.19 -3.39 116.25 117.18 3c8i h VAL 39 Ca -0.43 -1.12 -0.62 0.00 0.82 0.00 0.00 66.70 65.36 3c8i h VAL 39 Cb 1.21 0.94 -0.12 0.00 -1.52 0.00 0.00 31.29 31.80 3c8i h VAL 39 CO 0.82 0.39 0.41 -0.62 0.02 0.00 0.00 177.57 178.59 3c8i s ASP 40 N -6.65 6.46 0.00 0.57 -1.08 -1.26 -4.94 116.67 109.76 3c8i s ASP 40 Ca -0.10 0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.22 3c8i s ASP 40 Cb 0.14 -2.40 1.23 0.00 -1.46 0.00 0.00 42.92 40.42 3c8i s ASP 40 CO 0.83 -0.92 1.87 -0.81 0.52 0.00 0.00 175.17 176.66 3c8i n PRO 41 N 6.77 0.18 0.20 4.34 -0.04 -1.26 -2.90 135.00 142.29 3c8i n PRO 41 Ca 0.03 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 3c8i n PRO 41 Cb 0.48 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 3c8i n PRO 41 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3c8i h THR 42 N 0.00 0.00 -4.26 0.52 1.35 -1.95 -3.46 112.91 105.10 3c8i h THR 42 Ca 0.00 -0.97 -0.50 0.00 -0.55 0.00 0.00 66.41 64.40 3c8i h THR 42 Cb 0.35 1.91 0.12 0.00 -1.73 0.00 0.00 68.15 68.81 3c8i h THR 42 CO 0.00 0.00 0.32 -0.76 -0.25 0.00 0.00 175.52 174.83 3c8i s LEU 43 N -6.02 2.73 0.24 3.87 1.43 -1.14 -4.96 118.68 114.83 3c8i s LEU 43 Ca 0.07 1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 54.37 3c8i s LEU 43 Cb 0.06 -4.17 -0.13 0.00 0.03 0.00 0.00 46.19 41.98 3c8i s LEU 43 CO 0.68 -2.01 1.51 -2.65 0.23 0.00 0.00 176.35 174.11 3c8i n PRO 44 N -3.48 2.28 -2.26 1.29 -0.02 -1.26 -4.88 135.00 126.66 3c8i n PRO 44 Ca 0.08 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 62.02 3c8i n PRO 44 Cb 0.55 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3c8i n PRO 44 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3c8i s PRO 45 N -0.06 3.42 -0.55 0.52 0.04 -1.26 -4.99 135.00 132.11 3c8i s PRO 45 Ca 0.70 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 3c8i s PRO 45 Cb -0.61 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.01 3c8i s PRO 45 CO 0.46 -0.80 0.40 0.50 0.04 0.00 0.00 177.00 177.60 3c8i s ARG 46 N -3.20 2.55 0.38 4.56 3.52 -1.26 -5.03 118.95 120.48 3c8i s ARG 46 Ca 0.71 -2.11 -0.25 0.00 -0.13 0.00 0.00 55.73 53.96 3c8i s ARG 46 Cb -0.24 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.19 3c8i s ARG 46 CO 0.28 -1.18 1.05 -1.58 -0.81 0.00 0.00 175.30 173.06 3c8i s TRP 47 N 0.72 3.33 0.14 5.12 0.52 -1.26 -0.69 118.94 126.82 3c8i s TRP 47 Ca 0.11 1.66 -0.11 0.00 0.02 0.00 0.00 56.10 57.78 3c8i s TRP 47 Cb -0.22 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 28.97 3c8i s TRP 47 CO -0.03 -0.57 0.30 0.00 0.02 0.00 0.00 176.95 176.67 3c8i s ALA 48 N -1.60 -0.29 -0.16 0.98 0.00 0.73 -1.31 121.76 120.11 3c8i s ALA 48 Ca 0.56 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 3c8i s ALA 48 Cb -0.23 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3c8i s ALA 48 CO 0.29 -0.62 -0.00 -0.51 0.00 0.00 0.00 175.76 174.91 3c8i s LEU 49 N -2.91 3.46 -0.08 0.00 1.43 0.22 -0.63 118.68 120.17 3c8i s LEU 49 Ca 0.11 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3c8i s LEU 49 Cb 0.03 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3c8i s LEU 49 CO -0.05 0.18 -0.19 0.00 0.23 0.00 0.00 176.35 176.52 3c8i s ALA 50 N 0.33 1.75 0.23 4.21 0.00 -0.23 -0.90 121.76 127.15 3c8i s ALA 50 Ca -0.01 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.30 3c8i s ALA 50 Cb -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3c8i s ALA 50 CO 0.02 0.23 -0.01 0.95 0.00 0.00 0.00 175.76 176.96 3c8i s THR 51 N 0.38 3.54 -0.18 0.00 -4.23 -0.79 -0.22 115.64 114.14 3c8i s THR 51 Ca -0.14 -1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 58.53 3c8i s THR 51 Cb -0.16 -2.84 0.06 0.00 1.34 0.00 0.00 72.50 70.89 3c8i s THR 51 CO 0.06 -0.26 0.46 -0.60 -0.54 0.00 0.00 174.62 173.74 3c8i s ARG 52 N -3.36 0.49 -0.16 3.99 3.52 -0.21 -4.91 118.95 118.31 3c8i s ARG 52 Ca 0.29 0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 56.41 3c8i s ARG 52 Cb -0.08 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.42 3c8i s ARG 52 CO 0.19 -0.12 0.89 -0.80 -0.81 0.00 0.00 175.30 174.65 3c8i s ASN 53 N 0.95 7.03 -0.04 -2.12 0.01 -1.26 -1.13 114.94 118.39 3c8i s ASN 53 Ca -0.06 1.27 0.03 0.00 -0.71 0.00 0.00 52.86 53.40 3c8i s ASN 53 Cb -0.06 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3c8i s ASN 53 CO -0.08 -0.43 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.32 3c8i s ILE 54 N 2.19 1.14 -0.10 0.60 1.01 0.82 -4.99 121.20 121.88 3c8i s ILE 54 Ca 0.41 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 3c8i s ILE 54 Cb -0.17 -1.00 -0.28 0.00 0.01 0.00 0.00 42.46 41.03 3c8i s ILE 54 CO 0.13 0.34 0.56 0.74 0.00 0.00 0.00 174.94 176.71 3c8i h THR 55 N 5.38 0.99 -3.37 2.92 2.02 -1.85 0.11 112.91 119.10 3c8i h THR 55 Ca -0.33 -2.41 -0.23 0.00 0.77 0.00 0.00 66.41 64.21 3c8i h THR 55 Cb 1.17 2.71 -0.30 0.00 -1.74 0.00 0.00 68.15 69.99 3c8i h THR 55 CO 0.48 0.74 -0.61 0.00 0.37 0.00 0.00 175.52 176.50 3c8i s ALA 56 N -2.50 -0.24 -0.10 6.16 0.00 -1.26 -4.70 121.76 119.12 3c8i s ALA 56 Ca -0.19 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3c8i s ALA 56 Cb 0.05 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3c8i s ALA 56 CO 0.78 -0.11 -0.03 0.42 0.00 0.00 0.00 175.76 176.82 3c8i s ILE 57 N 0.67 0.68 0.15 0.00 1.01 -1.26 -5.05 121.20 117.41 3c8i s ILE 57 Ca -0.05 -0.12 -0.34 0.00 0.00 0.00 0.00 60.65 60.14 3c8i s ILE 57 Cb -0.07 -0.81 -0.16 0.00 0.01 0.00 0.00 42.46 41.43 3c8i s ILE 57 CO -0.03 0.27 1.22 -2.65 0.00 0.00 0.00 174.94 173.75 3c8i n PRO 58 N 5.05 1.21 0.00 2.79 -0.02 -1.26 -0.98 135.00 141.79 3c8i n PRO 58 Ca -0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3c8i n PRO 58 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3c8i n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3c8i n GLY 59 N 2.17 3.01 3.35 -1.23 0.00 -1.26 -4.97 105.19 106.26 3c8i n GLY 59 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 3c8i n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c8i s ILE 60 N -1.98 5.50 -0.06 -0.61 -1.09 -0.15 -4.87 121.20 117.94 3c8i s ILE 60 Ca 0.00 -2.38 -0.08 0.00 -2.23 0.00 0.00 60.65 55.96 3c8i s ILE 60 Cb 0.00 -4.52 0.02 0.00 -1.58 0.00 0.00 42.46 36.37 3c8i s ILE 60 CO 0.00 -1.11 0.21 -1.61 -1.23 0.00 0.00 174.94 171.20 3c8i s GLU 61 N 0.49 0.33 5.56 2.79 2.02 -1.26 -4.60 118.70 124.03 3c8i s GLU 61 Ca 0.21 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.32 3c8i s GLU 61 Cb -0.09 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.29 3c8i s GLU 61 CO -0.09 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.54 3c8i n GLY 62 N 2.53 1.32 0.22 -1.39 0.00 -1.26 -3.10 105.19 103.51 3c8i n GLY 62 Ca -0.15 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.19 3c8i n GLY 62 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3c8i h ASP 63 N 0.00 0.00 0.11 1.61 1.82 -1.98 -2.46 116.42 115.52 3c8i h ASP 63 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3c8i h ASP 63 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 3c8i h ASP 63 CO 0.00 0.19 -0.55 0.35 -1.61 0.00 0.00 179.24 177.62 3c8i n THR 64 N -3.26 0.00 -2.14 2.25 -2.24 -1.18 -4.60 114.28 103.11 3c8i n THR 64 Ca 0.01 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 3c8i n THR 64 Cb 0.48 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3c8i n THR 64 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3c8i n ARG 65 N -0.70 3.18 -3.94 -0.78 0.63 -0.93 -4.75 116.66 109.37 3c8i n ARG 65 Ca 0.08 -3.09 -0.10 0.00 -0.92 0.00 0.00 57.85 53.82 3c8i n ARG 65 Cb 0.39 -3.19 -0.11 0.00 0.45 0.00 0.00 32.46 30.00 3c8i n ARG 65 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3c8i s LYS 66 N 2.34 0.29 0.12 -0.14 1.02 -1.26 -4.83 119.74 117.28 3c8i s LYS 66 Ca 0.45 -0.46 -0.33 0.00 0.02 0.00 0.00 55.97 55.66 3c8i s LYS 66 Cb 0.10 0.11 -0.12 0.00 -0.52 0.00 0.00 37.83 37.39 3c8i s LYS 66 CO -0.03 -0.05 1.74 0.28 -0.92 0.00 0.00 175.35 176.37 3c8i n VAL 67 N 1.85 0.20 0.00 3.17 0.31 -1.26 -2.17 118.33 120.43 3c8i n VAL 67 Ca -0.22 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3c8i n VAL 67 Cb 0.56 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 3c8i n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3c8i n GLY 68 N 3.93 1.64 3.71 2.92 0.00 0.14 -4.99 105.19 112.54 3c8i n GLY 68 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3c8i n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3c8i n THR 69 N -1.71 0.02 -2.61 2.61 -1.04 -0.92 -4.71 114.28 105.92 3c8i n THR 69 Ca 0.00 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3c8i n THR 69 Cb 0.00 -1.89 -0.05 0.00 -1.82 0.00 0.00 70.33 66.57 3c8i n THR 69 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3c8i s ARG 70 N 1.22 4.68 -0.30 -2.82 0.52 -1.26 -1.76 118.95 119.24 3c8i s ARG 70 Ca 0.76 1.62 -0.02 0.00 -0.52 0.00 0.00 55.73 57.58 3c8i s ARG 70 Cb -0.54 -3.29 0.10 0.00 0.52 0.00 0.00 34.95 31.73 3c8i s ARG 70 CO 0.34 0.23 0.10 0.42 0.02 0.00 0.00 175.30 176.40 3c8i s ILE 71 N -0.53 0.68 0.30 1.52 -1.09 0.76 -4.96 121.20 117.88 3c8i s ILE 71 Ca 0.46 -1.21 -0.29 0.00 -2.23 0.00 0.00 60.65 57.38 3c8i s ILE 71 Cb -0.28 -1.49 -0.11 0.00 -1.58 0.00 0.00 42.46 39.01 3c8i s ILE 71 CO 0.34 -0.64 1.50 -2.84 -1.23 0.00 0.00 174.94 172.07 3c8i s PRO 72 N 1.72 4.19 0.20 2.79 0.02 -1.26 -1.37 135.00 141.28 3c8i s PRO 72 Ca 0.09 2.46 -0.02 0.00 0.02 0.00 0.00 61.00 63.54 3c8i s PRO 72 Cb -0.17 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3c8i s PRO 72 CO -0.26 -0.50 0.16 0.00 -0.33 0.00 0.00 177.00 176.07 3c8i s ALA 73 N -0.37 0.96 0.08 -1.55 0.00 -0.42 -1.29 121.76 119.17 3c8i s ALA 73 Ca 0.58 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3c8i s ALA 73 Cb -0.45 1.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 3c8i s ALA 73 CO 0.51 -0.61 -0.11 0.14 0.00 0.00 0.00 175.76 175.68 3c8i s VAL 74 N -4.13 0.94 -0.55 0.00 -7.23 -0.24 -0.38 120.40 108.81 3c8i s VAL 74 Ca 0.35 -1.41 -0.26 0.00 -1.81 0.00 0.00 61.98 58.86 3c8i s VAL 74 Cb 0.06 -1.11 0.04 0.00 0.56 0.00 0.00 36.38 35.93 3c8i s VAL 74 CO 0.10 -0.39 1.02 0.00 -0.31 0.00 0.00 175.10 175.52 3c8i s ALA 75 N -1.78 3.12 -0.01 1.32 0.00 -1.25 -0.83 121.76 122.34 3c8i s ALA 75 Ca -0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 3c8i s ALA 75 Cb -0.07 -3.82 -0.27 0.00 0.00 0.00 0.00 23.12 18.97 3c8i s ALA 75 CO 0.01 -2.43 0.80 -0.24 0.00 0.00 0.00 175.76 173.90 3c8i h VAL 76 N 6.07 1.08 -3.67 0.00 3.04 -1.33 -3.44 116.25 118.00 3c8i h VAL 76 Ca -0.25 -2.76 -0.07 0.00 -1.01 0.00 0.00 66.70 62.60 3c8i h VAL 76 Cb 1.07 2.69 -0.12 0.00 -2.01 0.00 0.00 31.29 32.92 3c8i h VAL 76 CO 1.11 0.79 -0.22 0.42 -1.01 0.00 0.00 177.57 178.66 3c8i s THR 77 N -2.61 0.08 0.21 3.17 -4.23 -1.23 -5.03 115.64 105.99 3c8i s THR 77 Ca -0.09 -1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 59.17 3c8i s THR 77 Cb 0.07 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.36 3c8i s THR 77 CO 0.84 -0.34 0.52 -0.83 -0.54 0.00 0.00 174.62 174.26 3c8i s GLY 78 N -2.90 0.08 -0.03 3.99 0.00 -1.26 -1.19 107.32 106.01 3c8i s GLY 78 Ca 0.11 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.47 3c8i s GLY 78 CO -0.05 -0.36 -0.21 1.20 0.00 0.00 0.00 173.10 173.68 3c8i s GLN 79 N -3.91 1.85 0.52 2.90 -1.52 -0.14 -4.99 119.66 114.37 3c8i s GLN 79 Ca 0.13 -0.74 -0.20 0.00 -1.95 0.00 0.00 55.36 52.60 3c8i s GLN 79 Cb -0.01 -1.70 -0.07 0.00 -0.22 0.00 0.00 33.01 31.01 3c8i s GLN 79 CO 0.01 0.39 1.12 1.03 -0.25 0.00 0.00 175.29 177.59 3c8i s ARG 80 N -0.30 3.51 0.44 2.91 0.52 -1.26 -0.46 118.95 124.31 3c8i s ARG 80 Ca 0.03 1.61 -0.22 0.00 -0.52 0.00 0.00 55.73 56.63 3c8i s ARG 80 Cb -0.10 -2.11 -0.08 0.00 0.52 0.00 0.00 34.95 33.18 3c8i s ARG 80 CO 0.01 -0.72 1.06 -1.54 0.02 0.00 0.00 175.30 174.13 3c8i s SER 81 N -1.72 6.50 -0.06 0.23 1.04 -0.25 -4.46 113.70 114.98 3c8i s SER 81 Ca 0.70 2.03 -0.19 0.00 0.48 0.00 0.00 55.95 58.97 3c8i s SER 81 Cb -0.24 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.16 3c8i s SER 81 CO 0.27 -0.67 0.77 1.62 0.98 0.00 0.00 173.24 176.22 3c8i h VAL 82 N 1.89 0.79 0.37 5.02 3.04 -1.95 -3.40 116.25 122.00 3c8i h VAL 82 Ca -0.49 -1.17 -0.02 0.00 -1.01 0.00 0.00 66.70 64.01 3c8i h VAL 82 Cb 1.22 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 3c8i h VAL 82 CO 0.61 0.21 -0.18 1.23 -1.01 0.00 0.00 177.57 178.43 3c8i h GLY 83 N -0.90 -0.52 -1.51 3.17 0.00 -1.99 -3.42 103.07 97.90 3c8i h GLY 83 Ca -0.02 0.19 -0.52 0.00 0.00 0.00 0.00 47.33 46.98 3c8i h GLY 83 CO 0.03 -0.19 0.33 -1.31 0.00 0.00 0.00 176.54 175.40 3c8i s ASN 84 N -5.03 4.06 0.52 0.19 -0.87 -1.26 -5.07 114.94 107.48 3c8i s ASN 84 Ca -0.12 2.13 0.03 0.00 -1.57 0.00 0.00 52.86 53.33 3c8i s ASN 84 Cb 0.01 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 3c8i s ASN 84 CO 0.41 -2.34 0.14 -1.58 -2.57 0.00 0.00 177.10 171.16 3c8i s GLN 85 N -4.37 2.22 0.00 -0.60 0.74 -1.26 -4.51 119.66 111.87 3c8i s GLN 85 Ca 0.68 -2.26 0.00 0.00 0.05 0.00 0.00 55.36 53.83 3c8i s GLN 85 Cb -0.23 -1.73 0.00 0.00 1.10 0.00 0.00 33.01 32.15 3c8i s GLN 85 CO 0.51 -0.44 0.00 -0.25 -0.55 0.00 0.00 175.29 174.55 3c8i n ASP 86 N -1.43 0.00 -4.21 6.67 8.00 -1.26 -5.01 116.55 119.31 3c8i n ASP 86 Ca -0.13 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.13 3c8i n ASP 86 Cb 0.66 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.60 3c8i n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3c8i s SER 87 N -3.61 2.17 0.01 -2.24 0.01 -1.26 -0.62 113.70 108.15 3c8i s SER 87 Ca 0.00 -0.49 -0.25 0.00 1.31 0.00 0.00 55.95 56.53 3c8i s SER 87 Cb 0.00 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 3c8i s SER 87 CO 0.00 0.12 0.76 0.26 0.41 0.00 0.00 173.24 174.79 3c8i s TRP 88 N -0.79 3.68 -1.25 2.43 0.52 0.59 -1.09 118.94 123.04 3c8i s TRP 88 Ca 0.05 1.42 0.22 0.00 0.02 0.00 0.00 56.10 57.81 3c8i s TRP 88 Cb -0.08 -2.84 -0.14 0.00 -1.15 0.00 0.00 33.47 29.25 3c8i s TRP 88 CO 0.01 0.19 0.97 -0.25 0.02 0.00 0.00 176.95 177.89 3c8i n ASP 89 N 3.20 1.22 -3.76 2.95 9.92 0.39 -4.75 116.55 125.73 3c8i n ASP 89 Ca -0.01 -1.09 -0.13 0.00 -0.53 0.00 0.00 54.79 53.03 3c8i n ASP 89 Cb 0.51 0.85 -0.11 0.00 -0.64 0.00 0.00 41.12 41.72 3c8i n ASP 89 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3c8i s GLN 90 N -2.88 0.32 -0.04 -1.24 -0.44 -1.14 -4.78 119.66 109.46 3c8i s GLN 90 Ca 0.11 0.45 -0.01 0.00 -2.50 0.00 0.00 55.36 53.40 3c8i s GLN 90 Cb 0.17 0.10 0.03 0.00 -1.64 0.00 0.00 33.01 31.67 3c8i s GLN 90 CO 0.79 -0.07 0.08 0.42 0.50 0.00 0.00 175.29 177.01 3c8i s ILE 91 N 0.43 -0.08 -0.40 -2.34 1.01 -1.26 -0.97 121.20 117.59 3c8i s ILE 91 Ca -0.02 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 3c8i s ILE 91 Cb -0.04 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.29 3c8i s ILE 91 CO -0.02 0.10 0.45 -0.44 0.00 0.00 0.00 174.94 175.03 3c8i s SER 92 N 1.35 6.22 0.31 3.58 0.01 -0.33 -4.87 113.70 119.97 3c8i s SER 92 Ca -0.06 -0.47 -0.19 0.00 1.31 0.00 0.00 55.95 56.54 3c8i s SER 92 Cb -0.12 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 3c8i s SER 92 CO -0.04 -0.54 0.79 -2.16 0.41 0.00 0.00 173.24 171.70 3c8i s PRO 93 N 2.22 4.18 0.01 12.44 0.04 -1.26 -0.84 135.00 151.78 3c8i s PRO 93 Ca 0.14 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.09 3c8i s PRO 93 Cb -0.16 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 3c8i s PRO 93 CO 0.14 0.21 -0.11 0.00 0.04 0.00 0.00 177.00 177.27 3c8i s MET 94 N -2.61 0.86 0.26 4.56 0.23 -0.01 -4.89 119.30 117.71 3c8i s MET 94 Ca 0.52 -0.49 -0.30 0.00 -1.03 0.00 0.00 55.69 54.39 3c8i s MET 94 Cb -0.13 -0.83 -0.10 0.00 -1.53 0.00 0.00 34.83 32.25 3c8i s MET 94 CO 0.18 0.22 1.38 -1.25 -2.03 0.00 0.00 175.02 173.52 3c8i s PRO 95 N -0.54 4.31 0.51 3.16 0.04 -1.26 -1.08 135.00 140.13 3c8i s PRO 95 Ca 0.03 2.24 0.28 0.00 0.04 0.00 0.00 61.00 63.58 3c8i s PRO 95 Cb -0.05 -3.11 1.31 0.00 0.04 0.00 0.00 34.50 32.68 3c8i s PRO 95 CO 0.00 -0.33 1.99 -0.84 0.04 0.00 0.00 177.00 177.86 3c8i h ILE 96 N 3.45 0.45 0.00 0.56 3.07 -1.51 -2.29 117.51 121.24 3c8i h ILE 96 Ca -0.46 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 65.23 3c8i h ILE 96 Cb 1.22 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 3c8i h ILE 96 CO 0.74 0.13 0.12 0.00 -1.05 0.00 0.00 178.15 178.10 3c8i h ALA 97 N 1.86 1.09 0.00 0.16 0.00 -1.80 0.12 119.26 120.69 3c8i h ALA 97 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3c8i h ALA 97 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3c8i h ALA 97 CO 0.02 -0.09 -0.20 -1.49 0.00 0.00 0.00 179.25 177.49 3c8i h TRP 98 N 0.00 0.00 0.00 0.00 6.55 -1.79 -3.35 115.95 117.36 3c8i h TRP 98 Ca 0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 3c8i h TRP 98 Cb 0.24 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.51 3c8i h TRP 98 CO 0.00 0.20 -2.03 0.00 -1.05 0.00 0.00 178.44 175.56 3c8i n ALA 99 N -2.16 2.11 -3.43 1.49 0.00 0.36 -4.99 120.51 113.90 3c8i n ALA 99 Ca 0.03 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 3c8i n ALA 99 Cb 0.58 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 19.31 3c8i n ALA 99 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3c8i s THR 100 N -2.99 -0.04 -1.01 0.00 -1.32 -0.92 -5.02 115.64 104.35 3c8i s THR 100 Ca -0.08 0.14 0.28 0.00 -1.21 0.00 0.00 61.69 60.82 3c8i s THR 100 Cb 0.10 -0.06 0.21 0.00 -1.51 0.00 0.00 72.50 71.24 3c8i s THR 100 CO 0.86 0.06 1.86 -0.81 -2.21 0.00 0.00 174.62 174.37 3c8i n PRO 101 N 3.77 0.01 -2.61 7.08 -0.04 -1.26 -4.55 135.00 137.39 3c8i n PRO 101 Ca -0.22 -0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.82 3c8i n PRO 101 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3c8i n PRO 101 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3c8i s ASP 102 N -3.00 6.39 0.47 3.54 2.15 -1.26 -4.91 116.67 120.06 3c8i s ASP 102 Ca 0.14 -0.04 0.26 0.00 0.43 0.00 0.00 52.55 53.34 3c8i s ASP 102 Cb 0.19 -2.54 1.30 0.00 -0.30 0.00 0.00 42.92 41.57 3c8i s ASP 102 CO 0.55 -1.51 1.83 0.28 -0.17 0.00 0.00 175.17 176.15 3c8i h SER 103 N 9.59 0.22 0.69 -0.34 0.02 -2.00 -2.25 113.55 119.49 3c8i h SER 103 Ca -0.26 0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 60.46 3c8i h SER 103 Cb 1.06 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3c8i h SER 103 CO 1.19 0.06 -1.25 0.77 -1.14 0.00 0.00 176.83 176.46 3c8i h SER 104 N 0.20 0.29 -0.23 3.07 4.64 -1.98 -0.91 113.55 118.63 3c8i h SER 104 Ca 0.51 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3c8i h SER 104 Cb 1.65 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.63 3c8i h SER 104 CO -0.13 1.26 -0.15 1.62 -0.87 0.00 0.00 176.83 178.56 3c8i h VAL 105 N 0.05 1.25 -0.27 0.95 3.04 -1.83 0.27 116.25 119.72 3c8i h VAL 105 Ca -0.13 -1.17 -0.14 0.00 -1.01 0.00 0.00 66.70 64.25 3c8i h VAL 105 Cb 1.93 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 3c8i h VAL 105 CO 0.17 0.39 -0.38 0.40 -1.01 0.00 0.00 177.57 177.14 3c8i h ILE 106 N 0.59 1.30 -0.74 3.17 2.04 -1.51 -1.27 117.51 121.10 3c8i h ILE 106 Ca 0.10 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 3c8i h ILE 106 Cb 0.60 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3c8i h ILE 106 CO 0.04 0.50 0.32 0.00 0.00 0.00 0.00 178.15 179.01 3c8i h ALA 107 N 0.67 0.95 0.07 1.87 0.00 -0.99 -2.30 119.26 119.54 3c8i h ALA 107 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3c8i h ALA 107 Cb 0.98 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3c8i h ALA 107 CO 0.09 0.55 -0.03 -0.09 0.00 0.00 0.00 179.25 179.77 3c8i h ARG 108 N 1.05 -0.09 -0.82 0.00 9.65 -0.42 -2.62 114.38 121.12 3c8i h ARG 108 Ca 0.25 0.01 0.20 0.00 -1.10 0.00 0.00 59.98 59.34 3c8i h ARG 108 Cb 0.18 0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 28.65 3c8i h ARG 108 CO -0.02 -0.01 0.15 0.00 2.80 0.00 0.00 179.97 182.89 3c8i h ALA 109 N 0.78 1.07 -0.38 2.80 0.00 -1.06 0.60 119.26 123.07 3c8i h ALA 109 Ca -0.01 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3c8i h ALA 109 Cb 0.13 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3c8i h ALA 109 CO 0.02 -0.43 0.00 1.49 0.00 0.00 0.00 179.25 180.33 3c8i h GLU 110 N 0.19 0.66 -0.04 0.00 4.81 -1.15 -2.54 114.58 116.52 3c8i h GLU 110 Ca 0.48 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3c8i h GLU 110 Cb 0.92 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3c8i h GLU 110 CO -0.63 0.76 -0.46 0.66 -0.73 0.00 0.00 179.01 178.61 3c8i h SER 111 N 0.48 0.09 -0.02 1.04 4.64 -1.05 -3.13 113.55 115.60 3c8i h SER 111 Ca 0.11 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 3c8i h SER 111 Cb 0.46 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3c8i h SER 111 CO 0.02 0.54 -0.23 0.74 -0.87 0.00 0.00 176.83 177.04 3c8i h THR 112 N 0.07 1.25 -2.84 2.95 2.02 -0.69 -3.43 112.91 112.25 3c8i h THR 112 Ca 0.00 -1.18 -0.54 0.00 0.77 0.00 0.00 66.41 65.46 3c8i h THR 112 Cb 0.85 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3c8i h THR 112 CO 0.06 0.37 0.89 -0.63 0.37 0.00 0.00 175.52 176.59 3c8i s ILE 113 N -4.53 3.61 0.13 3.11 1.01 -0.98 -4.92 121.20 118.63 3c8i s ILE 113 Ca -0.06 0.98 -0.34 0.00 0.00 0.00 0.00 60.65 61.22 3c8i s ILE 113 Cb 0.14 -3.63 -0.17 0.00 0.01 0.00 0.00 42.46 38.81 3c8i s ILE 113 CO 0.78 -0.02 1.01 -2.65 0.00 0.00 0.00 174.94 174.06 3c8i n PRO 114 N 5.65 0.60 -0.21 2.79 -0.02 -1.26 -4.81 135.00 137.73 3c8i n PRO 114 Ca 0.14 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3c8i n PRO 114 Cb 0.43 -1.61 0.44 0.00 -0.02 0.00 0.00 33.50 32.74 3c8i n PRO 114 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3c8i h SER 115 N 2.81 0.52 0.36 2.55 4.64 -1.91 -1.77 113.55 120.74 3c8i h SER 115 Ca -0.42 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.80 3c8i h SER 115 Cb 1.39 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3c8i h SER 115 CO 0.66 0.27 -0.53 1.05 -0.87 0.00 0.00 176.83 177.41 3c8i h GLU 116 N 0.55 0.19 -0.37 4.77 9.09 -1.98 0.27 114.58 127.09 3c8i h GLU 116 Ca 0.40 -0.12 -0.10 0.00 0.05 0.00 0.00 59.36 59.60 3c8i h GLU 116 Cb 0.76 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.86 3c8i h GLU 116 CO -0.15 0.68 -0.16 1.96 0.05 0.00 0.00 179.01 181.39 3c8i h GLN 117 N 0.15 0.76 -0.31 1.06 4.20 -1.77 0.42 115.11 119.62 3c8i h GLN 117 Ca 0.00 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.43 3c8i h GLN 117 Cb 0.99 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 3c8i h GLN 117 CO 0.08 0.94 0.07 -1.49 -0.67 0.00 0.00 178.83 177.75 3c8i h TRP 118 N 0.55 0.12 -0.39 2.96 4.06 -0.82 -1.26 115.95 121.18 3c8i h TRP 118 Ca 0.09 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 3c8i h TRP 118 Cb 0.69 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 3c8i h TRP 118 CO 0.06 0.03 -0.06 1.79 -3.56 0.00 0.00 178.44 176.69 3c8i h THR 119 N 0.18 1.27 -0.60 1.49 1.35 -0.40 -0.41 112.91 115.80 3c8i h THR 119 Ca 0.14 -1.13 0.11 0.00 -0.55 0.00 0.00 66.41 64.98 3c8i h THR 119 Cb 0.15 1.21 -0.08 0.00 -1.73 0.00 0.00 68.15 67.70 3c8i h THR 119 CO -0.18 0.38 0.17 0.74 -0.25 0.00 0.00 175.52 176.37 3c8i h THR 120 N 0.54 0.69 -0.09 6.82 2.02 -0.80 0.87 112.91 122.96 3c8i h THR 120 Ca 0.10 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3c8i h THR 120 Cb 0.57 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3c8i h THR 120 CO 0.03 0.06 0.03 0.25 0.37 0.00 0.00 175.52 176.26 3c8i h LEU 121 N 0.31 0.12 -0.68 2.58 5.85 -0.94 -2.82 115.31 119.74 3c8i h LEU 121 Ca 0.31 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.94 3c8i h LEU 121 Cb 0.44 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3c8i h LEU 121 CO -0.36 0.26 0.36 0.28 -0.34 0.00 0.00 178.44 178.63 3c8i h SER 122 N -0.02 0.50 0.44 1.25 0.02 -0.59 -0.77 113.55 114.37 3c8i h SER 122 Ca 0.03 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3c8i h SER 122 Cb 0.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3c8i h SER 122 CO -0.00 0.31 0.00 0.29 -1.14 0.00 0.00 176.83 176.28 3c8i n LYS 123 N -4.83 0.18 -0.06 3.45 5.02 0.26 -2.82 118.16 119.37 3c8i n LYS 123 Ca 0.09 0.52 0.03 0.00 -2.02 0.00 0.00 58.31 56.93 3c8i n LYS 123 Cb 0.22 -1.93 0.06 0.00 -0.02 0.00 0.00 35.03 33.36 3c8i n LYS 123 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3c8i n ASN 124 N -2.28 2.09 -0.19 4.39 3.02 -0.36 -4.62 115.26 117.31 3c8i n ASN 124 Ca 0.01 -1.68 0.10 0.00 -0.03 0.00 0.00 54.58 52.97 3c8i n ASN 124 Cb 0.15 -0.07 0.40 0.00 -0.61 0.00 0.00 39.78 39.65 3c8i n ASN 124 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3c8i h LEU 125 N 1.17 0.58 -0.49 3.41 3.38 -1.22 -0.13 115.31 122.01 3c8i h LEU 125 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3c8i h LEU 125 Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3c8i h LEU 125 CO 0.00 0.34 0.00 -0.46 0.09 0.00 0.00 178.44 178.41 3c8i n ASN 126 N -4.50 0.37 -0.15 -0.43 0.23 -1.26 -2.59 115.26 106.94 3c8i n ASN 126 Ca 0.13 0.61 0.03 0.00 -0.53 0.00 0.00 54.58 54.81 3c8i n ASN 126 Cb 0.36 -0.68 0.12 0.00 -2.08 0.00 0.00 39.78 37.50 3c8i n ASN 126 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3c8i n LYS 127 N -1.93 1.19 -0.30 -3.83 5.02 -0.06 -4.41 118.16 113.84 3c8i n LYS 127 Ca 0.02 -0.30 0.12 0.00 -2.02 0.00 0.00 58.31 56.13 3c8i n LYS 127 Cb 0.17 -1.11 0.26 0.00 -0.02 0.00 0.00 35.03 34.32 3c8i n LYS 127 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3c8i h LEU 128 N 0.50 -0.27 -0.33 -0.35 5.85 -1.67 -0.70 115.31 118.34 3c8i h LEU 128 Ca 0.00 0.23 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 3c8i h LEU 128 Cb 0.11 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3c8i h LEU 128 CO 0.00 -0.24 -0.65 0.44 -0.34 0.00 0.00 178.44 177.66 3c8i h ASP 129 N 0.10 0.81 -0.44 1.25 3.32 -1.89 -0.36 116.42 119.21 3c8i h ASP 129 Ca 0.53 -0.48 0.06 0.00 0.02 0.00 0.00 57.03 57.17 3c8i h ASP 129 Cb 1.06 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.32 3c8i h ASP 129 CO -0.76 1.25 0.12 1.56 -1.72 0.00 0.00 179.24 179.69 3c8i h GLN 130 N 0.51 0.25 -0.48 3.56 4.20 -1.54 -1.40 115.11 120.22 3c8i h GLN 130 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3c8i h GLN 130 Cb 1.24 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3c8i h GLN 130 CO 0.13 0.17 0.27 0.28 -0.67 0.00 0.00 178.83 179.01 3c8i h VAL 131 N 0.26 1.16 0.00 -0.54 2.07 -0.90 -1.48 116.25 116.82 3c8i h VAL 131 Ca 0.21 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3c8i h VAL 131 Cb 0.24 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3c8i h VAL 131 CO -0.25 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.05 3c8i n ARG 132 N -4.68 0.13 0.02 1.57 1.74 -0.17 -1.89 116.66 113.38 3c8i n ARG 132 Ca 0.02 0.38 0.14 0.00 -0.77 0.00 0.00 57.85 57.61 3c8i n ARG 132 Cb 0.07 -1.75 0.55 0.00 -1.02 0.00 0.00 32.46 30.30 3c8i n ARG 132 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3c8i n GLU 133 N -2.00 0.06 -1.97 5.56 -0.58 -0.55 -4.86 120.64 116.31 3c8i n GLU 133 Ca 0.02 0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.51 3c8i n GLU 133 Cb 0.20 -1.57 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 3c8i n GLU 133 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3c8i s THR 134 N -3.03 4.01 -0.03 2.62 -4.23 -0.79 -5.00 115.64 109.18 3c8i s THR 134 Ca 0.13 0.56 0.20 0.00 -1.18 0.00 0.00 61.69 61.40 3c8i s THR 134 Cb 0.17 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.55 3c8i s THR 134 CO 0.56 -0.81 1.65 0.07 -0.54 0.00 0.00 174.62 175.55 3c8i h LYS 135 N -0.45 0.00 0.00 3.99 2.10 -1.88 -3.31 116.57 117.03 3c8i h LYS 135 Ca -0.45 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3c8i h LYS 135 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 3c8i h LYS 135 CO 0.63 0.32 -0.14 1.19 -2.00 0.00 0.00 179.45 179.45 3c8i n PHE 136 N -3.31 0.00 -3.70 0.07 3.72 -1.26 -4.99 117.46 108.00 3c8i n PHE 136 Ca 0.01 -0.98 -0.24 0.00 -0.05 0.00 0.00 57.45 56.19 3c8i n PHE 136 Cb 0.56 -0.16 0.05 0.00 -0.94 0.00 0.00 39.48 39.00 3c8i n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3c8i n ASP 137 N -1.23 -4.24 -3.68 4.37 8.00 -1.25 -4.75 116.55 113.77 3c8i n ASP 137 Ca 0.15 -0.68 -0.18 0.00 0.71 0.00 0.00 54.79 54.78 3c8i n ASP 137 Cb 0.66 -4.49 -0.17 0.00 -0.02 0.00 0.00 41.12 37.10 3c8i n ASP 137 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3c8i s LEU 138 N -7.04 0.17 -0.16 0.64 2.96 -1.26 -1.88 118.68 112.12 3c8i s LEU 138 Ca 0.42 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 3c8i s LEU 138 Cb -0.20 0.04 0.03 0.00 0.50 0.00 0.00 46.19 46.57 3c8i s LEU 138 CO 0.78 -0.23 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.24 3c8i s LEU 139 N 2.07 1.76 0.27 -0.68 2.96 -0.08 -4.83 118.68 120.15 3c8i s LEU 139 Ca 0.02 -0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 53.07 3c8i s LEU 139 Cb -0.12 -1.14 -0.09 0.00 0.50 0.00 0.00 46.19 45.34 3c8i s LEU 139 CO -0.04 -0.09 1.23 -1.61 -1.32 0.00 0.00 176.35 174.52 3c8i s GLU 140 N 1.50 4.46 0.00 1.98 2.02 -1.26 -0.61 118.70 126.79 3c8i s GLU 140 Ca 0.03 2.02 0.31 0.00 0.02 0.00 0.00 54.97 57.35 3c8i s GLU 140 Cb -0.14 -3.15 1.67 0.00 0.10 0.00 0.00 34.13 32.62 3c8i s GLU 140 CO -0.10 -0.07 2.10 1.28 0.02 0.00 0.00 175.26 178.49