#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r8x s ALA 9 N 0.00 3.55 0.29 1.96 0.00 -1.26 0.29 121.76 126.59 2r8x s ALA 9 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2r8x s ALA 9 Cb 0.00 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.58 2r8x s ALA 9 CO 0.00 0.04 0.02 0.95 0.00 0.00 0.00 175.76 176.77 2r8x s THR 10 N 0.57 1.18 -1.92 0.00 -4.23 -1.11 -4.94 115.64 105.19 2r8x s THR 10 Ca 0.19 -2.03 0.22 0.00 -1.18 0.00 0.00 61.69 58.89 2r8x s THR 10 Cb -0.14 -2.60 0.58 0.00 1.34 0.00 0.00 72.50 71.68 2r8x s THR 10 CO 0.06 -0.14 1.68 0.00 -0.54 0.00 0.00 174.62 175.68 2r8x n TYR 12 N -1.04 0.00 0.00 0.00 4.02 -1.26 -5.11 117.16 113.77 2r8x n TYR 12 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2r8x n TYR 12 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2r8x n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2r8x n GLY 13 N 0.85 2.78 3.76 2.72 0.00 -0.63 -4.93 105.19 109.75 2r8x n GLY 13 Ca 0.04 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 2r8x n GLY 13 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2r8x s PRO 14 N -2.08 3.66 0.18 1.61 0.02 -1.26 -2.75 135.00 134.37 2r8x s PRO 14 Ca 0.00 2.14 0.11 0.00 0.02 0.00 0.00 61.00 63.27 2r8x s PRO 14 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 34.50 31.94 2r8x s PRO 14 CO 0.00 -0.74 -0.23 0.14 -0.33 0.00 0.00 177.00 175.83 2r8x s VAL 15 N -1.32 2.24 0.62 3.83 -7.23 0.15 -4.91 120.40 113.77 2r8x s VAL 15 Ca 0.63 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.66 2r8x s VAL 15 Cb -0.38 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 2r8x s VAL 15 CO 0.47 -0.12 1.15 -0.94 -0.31 0.00 0.00 175.10 175.36 2r8x s SER 16 N -2.56 5.19 0.52 4.85 1.04 -1.26 -4.56 113.70 116.92 2r8x s SER 16 Ca 0.19 2.20 0.18 0.00 0.48 0.00 0.00 55.95 58.99 2r8x s SER 16 Cb -0.08 -2.58 1.31 0.00 0.10 0.00 0.00 66.02 64.77 2r8x s SER 16 CO 0.09 -1.58 2.14 0.00 0.98 0.00 0.00 173.24 174.86 2r8x h ALA 17 N 0.56 2.04 -0.44 5.32 0.00 -1.99 -2.12 119.26 122.63 2r8x h ALA 17 Ca -0.49 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2r8x h ALA 17 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2r8x h ALA 17 CO 0.55 -0.08 -0.00 0.22 0.00 0.00 0.00 179.25 179.94 2r8x h ASP 18 N 0.00 0.76 -0.38 0.00 3.58 -1.99 -0.57 116.42 117.82 2r8x h ASP 18 Ca 0.03 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.07 2r8x h ASP 18 Cb 0.12 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2r8x h ASP 18 CO -0.00 0.88 -0.14 0.58 -2.88 0.00 0.00 179.24 177.69 2r8x h VAL 19 N 0.62 1.28 -0.91 2.25 2.07 -1.79 -2.06 116.25 117.70 2r8x h VAL 19 Ca 0.12 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 2r8x h VAL 19 Cb 0.49 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2r8x h VAL 19 CO 0.02 0.41 0.50 -0.03 0.02 0.00 0.00 177.57 178.49 2r8x h MET 20 N 0.57 1.27 -0.50 1.57 1.85 -1.32 -0.96 114.93 117.41 2r8x h MET 20 Ca 0.09 -0.15 -0.06 0.00 -0.61 0.00 0.00 59.70 58.97 2r8x h MET 20 Cb 0.67 -0.25 -0.02 0.00 0.43 0.00 0.00 31.60 32.43 2r8x h MET 20 CO 0.05 0.92 0.06 0.00 -0.40 0.00 0.00 176.91 177.54 2r8x h ALA 21 N 1.27 0.66 -0.70 0.39 0.00 -0.97 -1.92 119.26 117.99 2r8x h ALA 21 Ca 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2r8x h ALA 21 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2r8x h ALA 21 CO -0.05 0.41 0.27 0.87 0.00 0.00 0.00 179.25 180.75 2r8x h LYS 22 N 0.70 1.05 0.00 0.00 1.57 -1.16 -2.90 116.57 115.83 2r8x h LYS 22 Ca 0.15 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2r8x h LYS 22 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2r8x h LYS 22 CO 0.01 0.87 -0.29 0.00 -0.57 0.00 0.00 179.45 179.48 2r8x h ALA 23 N 1.12 1.31 0.00 3.86 0.00 -0.97 -2.87 119.26 121.72 2r8x h ALA 23 Ca 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2r8x h ALA 23 Cb 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2r8x h ALA 23 CO -0.02 0.36 -0.11 1.49 0.00 0.00 0.00 179.25 180.97 2r8x h GLU 24 N 0.00 0.00 -0.03 0.00 4.22 -1.13 -2.98 114.58 114.66 2r8x h GLU 24 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2r8x h GLU 24 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2r8x h GLU 24 CO 0.04 0.11 0.00 0.09 -2.18 0.00 0.00 179.01 177.07 2r8x n ASN 25 N -4.37 2.31 -4.68 1.04 4.13 -1.08 -4.77 115.26 107.84 2r8x n ASN 25 Ca -0.03 -1.77 -0.42 0.00 1.68 0.00 0.00 54.58 54.04 2r8x n ASN 25 Cb 0.19 -0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 2r8x n ASN 25 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2r8x s ILE 26 N -1.99 4.06 -0.21 2.41 -1.09 -1.13 -4.53 121.20 118.71 2r8x s ILE 26 Ca 0.33 1.36 0.08 0.00 -2.23 0.00 0.00 60.65 60.19 2r8x s ILE 26 Cb 0.20 -3.87 -0.11 0.00 -1.58 0.00 0.00 42.46 37.10 2r8x s ILE 26 CO 0.32 -0.05 0.28 0.54 -1.23 0.00 0.00 174.94 174.79 2r8x n ARG 27 N 5.91 2.38 -3.76 2.79 5.12 0.80 -4.85 116.66 125.05 2r8x n ARG 27 Ca 0.13 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.87 2r8x n ARG 27 Cb 0.45 -1.04 -0.15 0.00 -1.16 0.00 0.00 32.46 30.56 2r8x n ARG 27 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2r8x s LEU 28 N -2.96 0.96 -0.29 0.55 2.96 -1.03 -0.80 118.68 118.08 2r8x s LEU 28 Ca 0.00 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 2r8x s LEU 28 Cb 0.06 0.10 0.03 0.00 0.50 0.00 0.00 46.19 46.89 2r8x s LEU 28 CO 0.35 -0.13 0.01 -0.22 -1.32 0.00 0.00 176.35 175.03 2r8x s LEU 29 N 1.08 3.72 -0.11 -0.68 2.96 0.15 -0.49 118.68 125.31 2r8x s LEU 29 Ca -0.09 -1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 52.70 2r8x s LEU 29 Cb -0.12 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 2r8x s LEU 29 CO -0.04 -0.22 0.21 -0.63 -1.32 0.00 0.00 176.35 174.35 2r8x s ILE 30 N 1.34 5.37 -0.02 6.68 1.01 0.12 -0.45 121.20 135.25 2r8x s ILE 30 Ca -0.02 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2r8x s ILE 30 Cb -0.18 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2r8x s ILE 30 CO -0.01 0.56 -0.12 -0.76 0.00 0.00 0.00 174.94 174.61 2r8x s LEU 31 N -0.67 1.90 0.60 2.97 1.43 0.43 -1.57 118.68 123.78 2r8x s LEU 31 Ca 0.16 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 2r8x s LEU 31 Cb -0.13 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 2r8x s LEU 31 CO 0.05 0.12 1.02 -0.62 0.23 0.00 0.00 176.35 177.15 2r8x s ASP 32 N -0.02 6.30 -0.03 2.29 3.68 -1.11 -2.13 116.67 125.64 2r8x s ASP 32 Ca -0.00 1.44 -0.02 0.00 2.13 0.00 0.00 52.55 56.09 2r8x s ASP 32 Cb -0.08 -2.47 -0.01 0.00 -1.45 0.00 0.00 42.92 38.91 2r8x s ASP 32 CO 0.00 -0.82 -0.05 0.52 0.13 0.00 0.00 175.17 174.96 2r8x n VAL 33 N -2.54 0.33 -2.15 1.11 0.31 -1.26 -3.62 118.33 110.50 2r8x n VAL 33 Ca 0.06 0.43 -0.43 0.00 -0.01 0.00 0.00 64.34 64.40 2r8x n VAL 33 Cb 0.54 -1.70 -0.02 0.00 -0.91 0.00 0.00 33.84 31.74 2r8x n VAL 33 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2r8x s ASP 34 N -4.09 6.55 0.00 4.52 1.01 -1.26 -0.32 116.67 123.08 2r8x s ASP 34 Ca -0.04 1.75 0.00 0.00 0.71 0.00 0.00 52.55 54.97 2r8x s ASP 34 Cb 0.01 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2r8x s ASP 34 CO 0.06 -1.09 0.00 0.61 0.21 0.00 0.00 175.17 174.95 2r8x n GLY 35 N 4.35 1.17 0.91 0.21 0.00 -1.09 -4.76 105.19 105.98 2r8x n GLY 35 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2r8x n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2r8x n VAL 36 N -2.00 1.12 0.51 1.61 0.31 -0.81 -4.06 118.33 115.01 2r8x n VAL 36 Ca 0.00 0.34 0.12 0.00 -0.01 0.00 0.00 64.34 64.79 2r8x n VAL 36 Cb 0.00 -1.62 0.26 0.00 -0.91 0.00 0.00 33.84 31.57 2r8x n VAL 36 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2r8x h LEU 37 N -0.12 0.00 -9.59 7.52 3.38 -0.73 -2.48 115.31 113.28 2r8x h LEU 37 Ca 0.00 -0.07 -0.59 0.00 0.09 0.00 0.00 57.88 57.31 2r8x h LEU 37 Cb 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.74 2r8x h LEU 37 CO 0.00 0.04 -0.52 -0.94 0.09 0.00 0.00 178.44 177.11 2r8x s SER 38 N -4.75 3.15 -0.18 -0.43 1.04 -0.86 -4.07 113.70 107.60 2r8x s SER 38 Ca 0.08 -1.66 0.10 0.00 0.48 0.00 0.00 55.95 54.95 2r8x s SER 38 Cb 0.11 0.48 0.60 0.00 0.10 0.00 0.00 66.02 67.31 2r8x s SER 38 CO 0.66 -0.89 1.42 -0.90 0.98 0.00 0.00 173.24 174.51 2r8x n ASP 39 N -1.28 4.44 0.00 7.02 3.85 -1.24 -2.34 116.55 127.00 2r8x n ASP 39 Ca -0.09 -2.70 0.00 0.00 -0.71 0.00 0.00 54.79 51.29 2r8x n ASP 39 Cb 0.66 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 2r8x n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2r8x n GLY 40 N 0.41 0.91 3.82 6.12 0.00 -1.26 -4.71 105.19 110.48 2r8x n GLY 40 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2r8x n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r8x s LEU 41 N 0.00 4.39 -0.23 0.99 1.43 -1.26 -4.79 118.68 119.21 2r8x s LEU 41 Ca 0.00 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 2r8x s LEU 41 Cb 0.00 -3.40 0.04 0.00 0.03 0.00 0.00 46.19 42.87 2r8x s LEU 41 CO 0.00 0.10 -0.14 -0.63 0.23 0.00 0.00 176.35 175.91 2r8x s ILE 42 N -1.42 2.20 -0.30 -0.59 -1.09 -1.26 -4.76 121.20 113.98 2r8x s ILE 42 Ca 0.39 -1.35 -0.21 0.00 -2.23 0.00 0.00 60.65 57.26 2r8x s ILE 42 Cb -0.17 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 2r8x s ILE 42 CO 0.21 0.18 0.67 -0.31 -1.23 0.00 0.00 174.94 174.46 2r8x s TYR 43 N 1.19 3.22 -0.05 3.97 1.51 -0.89 -4.98 117.35 121.31 2r8x s TYR 43 Ca -0.03 0.66 0.06 0.00 -1.01 0.00 0.00 57.07 56.75 2r8x s TYR 43 Cb -0.17 -3.03 -0.01 0.00 -0.11 0.00 0.00 41.96 38.63 2r8x s TYR 43 CO -0.08 -0.48 -0.24 -1.64 -1.11 0.00 0.00 175.55 172.00 2r8x s MET 44 N 2.68 2.34 0.49 -0.62 -1.94 -1.26 -0.73 119.30 120.26 2r8x s MET 44 Ca 0.27 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.44 2r8x s MET 44 Cb -0.15 -2.04 -0.00 0.00 2.01 0.00 0.00 34.83 34.64 2r8x s MET 44 CO 0.12 0.40 0.27 0.20 -0.01 0.00 0.00 175.02 175.99 2r8x s GLY 45 N -0.24 2.45 0.15 -0.03 0.00 0.61 -4.98 107.32 105.29 2r8x s GLY 45 Ca -0.01 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.31 2r8x s GLY 45 CO 0.02 -1.96 1.34 3.43 0.00 0.00 0.00 173.10 175.94 2r8x h ASN 46 N 1.08 0.27 -0.32 1.64 2.35 -2.01 -3.10 115.58 115.49 2r8x h ASN 46 Ca -0.40 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.07 2r8x h ASN 46 Cb 1.29 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 2r8x h ASN 46 CO 0.64 1.06 0.05 0.59 -1.65 0.00 0.00 177.43 178.12 2r8x n ASN 47 N -3.63 3.41 -0.02 5.81 5.03 -1.26 -4.87 115.26 119.73 2r8x n ASN 47 Ca -0.04 -2.53 -0.00 0.00 0.87 0.00 0.00 54.58 52.88 2r8x n ASN 47 Cb 0.84 -0.61 -0.00 0.00 -1.02 0.00 0.00 39.78 38.99 2r8x n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2r8x n GLY 48 N 0.22 0.45 3.76 7.41 0.00 -1.17 -5.02 105.19 110.83 2r8x n GLY 48 Ca 0.17 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2r8x n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r8x s GLU 49 N -1.24 4.42 -0.06 1.61 8.01 -1.26 -4.83 118.70 125.35 2r8x s GLU 49 Ca 0.00 2.09 0.02 0.00 0.01 0.00 0.00 54.97 57.09 2r8x s GLU 49 Cb 0.00 -3.13 0.02 0.00 -4.31 0.00 0.00 34.13 26.71 2r8x s GLU 49 CO 0.00 -0.13 -0.10 -2.00 0.01 0.00 0.00 175.26 173.03 2r8x s GLU 50 N -1.22 1.49 0.13 1.61 2.12 -1.26 -0.28 118.70 121.28 2r8x s GLU 50 Ca 0.50 -0.33 0.07 0.00 0.36 0.00 0.00 54.97 55.57 2r8x s GLU 50 Cb -0.37 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.70 2r8x s GLU 50 CO 0.46 -0.01 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.49 2r8x s LEU 51 N 0.75 2.38 0.01 2.70 1.43 0.09 -5.00 118.68 121.04 2r8x s LEU 51 Ca -0.13 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.15 2r8x s LEU 51 Cb -0.15 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2r8x s LEU 51 CO 0.03 -0.05 0.05 -0.75 0.23 0.00 0.00 176.35 175.86 2r8x s LYS 52 N -2.47 0.35 -0.17 1.70 2.20 -1.26 -2.10 119.74 117.99 2r8x s LYS 52 Ca 0.10 -0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.23 2r8x s LYS 52 Cb -0.07 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 2r8x s LYS 52 CO 0.05 -0.07 0.00 0.00 -0.36 0.00 0.00 175.35 174.97 2r8x s ALA 53 N -1.23 3.15 0.26 3.13 0.00 -1.26 -5.09 121.76 120.72 2r8x s ALA 53 Ca -0.13 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.12 2r8x s ALA 53 Cb -0.08 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 2r8x s ALA 53 CO 0.00 0.16 -0.08 -0.06 0.00 0.00 0.00 175.76 175.78 2r8x s PHE 54 N 0.44 2.56 -0.18 0.00 0.40 -1.26 -4.25 117.98 115.69 2r8x s PHE 54 Ca -0.01 -0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.01 2r8x s PHE 54 Cb -0.14 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 2r8x s PHE 54 CO 0.02 0.64 0.02 1.21 0.70 0.00 0.00 175.22 177.81 2r8x s ASN 55 N -3.52 5.25 0.55 1.36 2.47 -1.26 -4.99 114.94 114.80 2r8x s ASN 55 Ca 0.30 -0.03 0.27 0.00 0.42 0.00 0.00 52.86 53.82 2r8x s ASN 55 Cb -0.06 -1.89 1.58 0.00 -1.45 0.00 0.00 41.25 39.43 2r8x s ASN 55 CO 0.18 0.16 2.15 -0.37 -3.72 0.00 0.00 177.10 175.50 2r8x h VAL 56 N 5.03 0.62 -0.59 -5.21 -1.51 -1.93 -1.96 116.25 110.70 2r8x h VAL 56 Ca -0.35 -0.27 -0.08 0.00 -1.23 0.00 0.00 66.70 64.77 2r8x h VAL 56 Cb 1.18 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 2r8x h VAL 56 CO 0.66 0.06 0.06 -0.09 -1.23 0.00 0.00 177.57 177.04 2r8x h ARG 57 N 0.00 0.99 -0.52 5.19 2.43 -1.94 -0.42 114.38 120.11 2r8x h ARG 57 Ca -0.00 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 2r8x h ARG 57 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2r8x h ARG 57 CO 0.01 0.94 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.84 2r8x h ASP 58 N 0.92 1.00 -0.32 -3.80 3.32 -1.73 -2.68 116.42 113.12 2r8x h ASP 58 Ca 0.18 -0.34 0.06 0.00 0.02 0.00 0.00 57.03 56.96 2r8x h ASP 58 Cb 0.46 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 2r8x h ASP 58 CO 0.02 1.12 -0.08 1.23 -1.72 0.00 0.00 179.24 179.80 2r8x h GLY 59 N 0.93 0.23 0.64 2.75 0.00 -0.71 0.66 103.07 107.57 2r8x h GLY 59 Ca 0.13 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.61 2r8x h GLY 59 CO 0.05 -0.12 -0.05 -1.82 0.00 0.00 0.00 176.54 174.60 2r8x h TYR 60 N -0.00 -0.10 -0.50 5.60 5.03 -0.87 -1.34 116.97 124.79 2r8x h TYR 60 Ca 0.15 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.55 2r8x h TYR 60 Cb 0.24 0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.53 2r8x h TYR 60 CO -0.30 -0.08 0.17 0.78 -1.32 0.00 0.00 178.16 177.41 2r8x h GLY 61 N -0.00 0.65 1.08 1.82 0.00 -1.03 -0.83 103.07 104.76 2r8x h GLY 61 Ca 0.09 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2r8x h GLY 61 CO -0.18 -0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.11 2r8x h ILE 62 N 0.34 1.27 -0.54 2.60 2.04 -0.63 -1.15 117.51 121.44 2r8x h ILE 62 Ca 0.24 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 2r8x h ILE 62 Cb 0.26 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2r8x h ILE 62 CO -0.25 0.43 0.09 0.03 0.00 0.00 0.00 178.15 178.45 2r8x h ARG 63 N 0.96 0.85 -0.51 2.37 2.47 -0.90 -0.34 114.38 119.29 2r8x h ARG 63 Ca 0.17 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2r8x h ARG 63 Cb 0.58 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 2r8x h ARG 63 CO 0.03 0.79 0.21 0.00 0.56 0.00 0.00 179.97 181.56 2r8x h ALA 65 N 1.05 0.30 0.00 0.00 0.00 -0.75 -2.69 119.26 117.17 2r8x h ALA 65 Ca 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2r8x h ALA 65 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2r8x h ALA 65 CO -0.01 -0.01 -0.27 -0.07 0.00 0.00 0.00 179.25 178.89 2r8x h LEU 66 N 0.17 0.00 -2.41 0.00 3.38 -1.07 -1.53 115.31 113.86 2r8x h LEU 66 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2r8x h LEU 66 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2r8x h LEU 66 CO 0.01 0.27 0.00 0.35 0.09 0.00 0.00 178.44 179.15 2r8x n THR 67 N -3.89 1.07 -2.23 0.22 -2.24 -0.96 -4.17 114.28 102.09 2r8x n THR 67 Ca -0.02 -0.88 -0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2r8x n THR 67 Cb 0.35 0.28 0.08 0.00 -2.10 0.00 0.00 70.33 68.94 2r8x n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2r8x n SER 68 N 1.16 1.88 -2.75 3.42 7.64 -0.65 -4.94 113.62 119.38 2r8x n SER 68 Ca 0.21 -2.82 -0.20 0.00 1.01 0.00 0.00 58.87 57.07 2r8x n SER 68 Cb 0.61 -0.41 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 2r8x n SER 68 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2r8x n ASP 69 N -0.35 -5.71 -3.99 6.43 4.64 -1.20 -4.98 116.55 111.39 2r8x n ASP 69 Ca 0.15 -0.27 -0.30 0.00 -1.38 0.00 0.00 54.79 52.99 2r8x n ASP 69 Cb 0.92 -4.53 -0.16 0.00 -1.04 0.00 0.00 41.12 36.31 2r8x n ASP 69 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2r8x s ILE 70 N -3.13 1.62 0.50 5.18 1.01 -0.74 -4.79 121.20 120.85 2r8x s ILE 70 Ca 0.28 -1.00 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 2r8x s ILE 70 Cb -0.12 -1.70 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 2r8x s ILE 70 CO 0.35 0.16 1.15 -1.61 0.00 0.00 0.00 174.94 174.99 2r8x s GLU 71 N 1.41 3.55 -0.07 2.79 0.41 0.02 -3.39 118.70 123.41 2r8x s GLU 71 Ca -0.01 1.71 0.02 0.00 -0.41 0.00 0.00 54.97 56.28 2r8x s GLU 71 Cb -0.16 -2.21 0.01 0.00 -1.78 0.00 0.00 34.13 29.99 2r8x s GLU 71 CO -0.08 -0.71 -0.14 0.08 -0.49 0.00 0.00 175.26 173.91 2r8x s VAL 72 N -1.65 1.31 0.11 2.63 1.01 -1.26 0.29 120.40 122.85 2r8x s VAL 72 Ca 0.68 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2r8x s VAL 72 Cb -0.27 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2r8x s VAL 72 CO 0.31 0.40 -0.13 0.00 0.00 0.00 0.00 175.10 175.68 2r8x s ALA 73 N 0.65 1.33 -0.08 5.51 0.00 0.40 -4.33 121.76 125.24 2r8x s ALA 73 Ca -0.14 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2r8x s ALA 73 Cb -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2r8x s ALA 73 CO 0.04 0.06 -0.19 0.42 0.00 0.00 0.00 175.76 176.09 2r8x s ILE 74 N -2.16 1.66 -0.16 0.00 1.01 -0.23 -0.43 121.20 120.89 2r8x s ILE 74 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2r8x s ILE 74 Cb -0.05 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 41.00 2r8x s ILE 74 CO 0.02 0.47 -0.10 -0.63 0.00 0.00 0.00 174.94 174.70 2r8x s ILE 75 N 0.37 1.44 0.04 2.92 1.01 -0.90 -0.81 121.20 125.26 2r8x s ILE 75 Ca -0.14 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.83 2r8x s ILE 75 Cb -0.16 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 2r8x s ILE 75 CO 0.06 0.29 -0.11 0.28 0.00 0.00 0.00 174.94 175.46 2r8x s THR 76 N 1.51 0.87 0.21 2.92 -1.32 -0.48 -4.31 115.64 115.05 2r8x s THR 76 Ca 0.02 -0.99 0.02 0.00 -1.21 0.00 0.00 61.69 59.53 2r8x s THR 76 Cb -0.14 -0.83 -0.08 0.00 -1.51 0.00 0.00 72.50 69.94 2r8x s THR 76 CO -0.09 -0.13 1.50 1.23 -2.21 0.00 0.00 174.62 174.91 2r8x h GLY 77 N 4.81 0.31 -1.19 6.08 0.00 -1.87 -0.37 103.07 110.85 2r8x h GLY 77 Ca -0.37 -0.42 -0.47 0.00 0.00 0.00 0.00 47.33 46.07 2r8x h GLY 77 CO 0.43 0.38 0.27 0.50 0.00 0.00 0.00 176.54 178.12 2r8x s ARG 78 N -3.64 2.53 -0.08 4.80 0.52 -1.26 -3.51 118.95 118.31 2r8x s ARG 78 Ca -0.04 0.01 -0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2r8x s ARG 78 Cb 0.11 -2.15 0.03 0.00 0.52 0.00 0.00 34.95 33.46 2r8x s ARG 78 CO 0.81 -1.07 -0.02 0.21 0.02 0.00 0.00 175.30 175.25 2r8x s LYS 79 N -5.23 0.86 -0.15 3.54 2.20 -1.26 -0.83 119.74 118.88 2r8x s LYS 79 Ca 0.58 -0.01 -0.13 0.00 -0.36 0.00 0.00 55.97 56.05 2r8x s LYS 79 Cb -0.11 -1.10 0.04 0.00 -1.51 0.00 0.00 37.83 35.16 2r8x s LYS 79 CO 0.47 -0.26 0.39 0.00 -0.36 0.00 0.00 175.35 175.59 2r8x s ALA 80 N 1.74 -0.97 0.49 3.13 0.00 -1.26 -4.97 121.76 119.92 2r8x s ALA 80 Ca 0.02 1.16 0.18 0.00 0.00 0.00 0.00 51.96 53.32 2r8x s ALA 80 Cb -0.13 -0.68 1.24 0.00 0.00 0.00 0.00 23.12 23.55 2r8x s ALA 80 CO -0.05 -0.20 2.09 -0.22 0.00 0.00 0.00 175.76 177.38 2r8x h LYS 81 N 5.75 0.00 -0.23 0.00 1.63 -2.00 -2.43 116.57 119.28 2r8x h LYS 81 Ca -0.28 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.48 2r8x h LYS 81 Cb 1.18 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2r8x h LYS 81 CO 0.27 0.09 -0.01 1.37 -3.45 0.00 0.00 179.45 177.72 2r8x h LEU 82 N 0.00 0.32 -0.60 5.20 8.10 -1.96 -1.34 115.31 125.04 2r8x h LEU 82 Ca -0.00 -0.05 -0.13 0.00 0.11 0.00 0.00 57.88 57.81 2r8x h LEU 82 Cb 0.17 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 2r8x h LEU 82 CO 0.01 0.39 -0.30 0.58 -4.11 0.00 0.00 178.44 175.01 2r8x h VAL 83 N 0.34 1.28 -0.45 0.15 2.07 -1.86 -0.72 116.25 117.05 2r8x h VAL 83 Ca 0.08 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2r8x h VAL 83 Cb 0.25 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2r8x h VAL 83 CO 0.01 0.48 0.25 -0.33 0.02 0.00 0.00 177.57 178.00 2r8x h GLU 84 N 0.68 0.63 -0.68 1.57 5.08 -1.39 -0.62 114.58 119.84 2r8x h GLU 84 Ca 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2r8x h GLU 84 Cb 0.83 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2r8x h GLU 84 CO 0.07 0.49 0.31 -0.44 -1.00 0.00 0.00 179.01 178.44 2r8x h ASP 85 N 0.59 0.90 -0.53 1.42 3.32 -1.08 0.15 116.42 121.20 2r8x h ASP 85 Ca 0.16 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2r8x h ASP 85 Cb 0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2r8x h ASP 85 CO -0.03 0.79 0.27 -0.09 -1.72 0.00 0.00 179.24 178.46 2r8x h ARG 86 N 0.94 0.75 -0.66 3.56 9.65 -0.95 -1.15 114.38 126.52 2r8x h ARG 86 Ca 0.23 -0.10 -0.05 0.00 -1.10 0.00 0.00 59.98 58.96 2r8x h ARG 86 Cb 0.14 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2r8x h ARG 86 CO -0.03 0.60 0.21 0.00 2.80 0.00 0.00 179.97 183.56 2r8x h ALA 88 N 1.25 0.87 -0.81 0.00 0.00 -0.66 0.18 119.26 120.09 2r8x h ALA 88 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2r8x h ALA 88 Cb 0.27 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2r8x h ALA 88 CO -0.01 0.45 0.52 1.15 0.00 0.00 0.00 179.25 181.36 2r8x h THR 89 N 0.94 1.16 -0.00 0.00 2.02 -0.89 -3.06 112.91 113.07 2r8x h THR 89 Ca 0.23 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2r8x h THR 89 Cb 0.14 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2r8x h THR 89 CO -0.03 0.19 -0.54 0.18 0.37 0.00 0.00 175.52 175.70 2r8x n LEU 90 N -4.56 0.97 -0.13 2.58 4.77 -0.88 -4.96 117.00 114.80 2r8x n LEU 90 Ca 0.09 -0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 55.77 2r8x n LEU 90 Cb 0.06 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2r8x n LEU 90 CO 0.35 0.21 -0.02 0.61 -1.33 0.00 0.00 177.39 177.21 2r8x n GLY 91 N 1.44 0.45 3.67 -0.72 0.00 0.23 -4.75 105.19 105.53 2r8x n GLY 91 Ca 0.08 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2r8x n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r8x s ILE 92 N -2.06 4.51 -0.97 -0.61 1.01 0.37 -4.90 121.20 118.55 2r8x s ILE 92 Ca 0.00 1.81 0.11 0.00 0.00 0.00 0.00 60.65 62.58 2r8x s ILE 92 Cb 0.00 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2r8x s ILE 92 CO 0.00 -0.09 0.65 0.35 0.00 0.00 0.00 174.94 175.85 2r8x n THR 93 N 5.00 0.00 -3.72 2.92 -2.24 -1.26 -4.43 114.28 110.55 2r8x n THR 93 Ca 0.11 -0.37 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 2r8x n THR 93 Cb 0.46 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 2r8x n THR 93 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2r8x s HIS 94 N -1.53 3.49 -0.09 4.78 3.76 -1.26 -5.05 115.29 119.38 2r8x s HIS 94 Ca 0.09 -2.52 0.01 0.00 -0.15 0.00 0.00 55.06 52.48 2r8x s HIS 94 Cb 0.09 -3.25 0.02 0.00 1.11 0.00 0.00 32.58 30.55 2r8x s HIS 94 CO 0.30 -0.91 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.03 2r8x s LEU 95 N 0.51 1.37 -0.27 0.89 2.96 -1.26 -1.07 118.68 121.81 2r8x s LEU 95 Ca 0.13 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2r8x s LEU 95 Cb -0.21 -0.79 0.07 0.00 0.50 0.00 0.00 46.19 45.76 2r8x s LEU 95 CO -0.04 -0.05 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.60 2r8x s TYR 96 N 1.21 2.73 0.40 5.38 1.51 0.01 -5.00 117.35 123.59 2r8x s TYR 96 Ca -0.05 -2.09 0.08 0.00 -1.01 0.00 0.00 57.07 54.00 2r8x s TYR 96 Cb -0.14 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2r8x s TYR 96 CO -0.02 -0.84 0.39 -0.65 -1.11 0.00 0.00 175.55 173.31 2r8x s GLN 97 N 1.28 2.63 -1.44 -0.62 -0.21 -1.26 -1.38 119.66 118.66 2r8x s GLN 97 Ca -0.02 -1.43 -0.03 0.00 0.02 0.00 0.00 55.36 53.91 2r8x s GLN 97 Cb -0.19 -2.46 0.01 0.00 1.00 0.00 0.00 33.01 31.37 2r8x s GLN 97 CO -0.08 -0.13 0.25 0.41 -2.12 0.00 0.00 175.29 173.62 2r8x n GLY 98 N -1.55 -0.50 3.04 3.09 0.00 -0.01 -4.91 105.19 104.35 2r8x n GLY 98 Ca 0.03 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2r8x n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2r8x s GLN 99 N -5.38 1.61 0.06 1.61 2.00 -0.19 -4.92 119.66 114.45 2r8x s GLN 99 Ca 0.15 -1.86 0.21 0.00 -2.00 0.00 0.00 55.36 51.85 2r8x s GLN 99 Cb -0.07 -3.29 -0.16 0.00 0.80 0.00 0.00 33.01 30.28 2r8x s GLN 99 CO 0.19 -0.97 0.73 0.43 -0.50 0.00 0.00 175.29 175.17 2r8x n SER 100 N 4.33 0.52 -4.42 6.67 7.64 -1.26 -3.36 113.62 123.74 2r8x n SER 100 Ca 0.02 0.21 -0.45 0.00 1.01 0.00 0.00 58.87 59.67 2r8x n SER 100 Cb 0.42 0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 64.51 2r8x n SER 100 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2r8x s ASN 101 N -5.21 6.84 0.27 6.43 3.84 -1.26 -4.91 114.94 120.95 2r8x s ASN 101 Ca -0.04 -2.58 0.26 0.00 0.21 0.00 0.00 52.86 50.70 2r8x s ASN 101 Cb 0.10 -2.34 0.88 0.00 -0.55 0.00 0.00 41.25 39.35 2r8x s ASN 101 CO 0.84 -0.80 1.76 0.11 -2.79 0.00 0.00 177.10 176.21 2r8x h LYS 102 N 7.97 0.00 0.00 0.43 1.57 -1.87 -3.04 116.57 121.63 2r8x h LYS 102 Ca 0.19 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2r8x h LYS 102 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2r8x h LYS 102 CO 1.06 0.00 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.67 2r8x h LEU 103 N 0.00 0.00 0.08 2.94 3.38 -1.95 -1.45 115.31 118.31 2r8x h LEU 103 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r8x h LEU 103 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2r8x h LEU 103 CO 0.00 0.20 -0.04 0.40 0.09 0.00 0.00 178.44 179.10 2r8x h ILE 104 N 0.00 1.14 -0.56 1.22 2.04 -1.97 -1.66 117.51 117.72 2r8x h ILE 104 Ca -0.00 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2r8x h ILE 104 Cb 0.53 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2r8x h ILE 104 CO 0.03 0.21 0.28 0.00 0.00 0.00 0.00 178.15 178.66 2r8x h ALA 105 N 0.36 1.43 -0.25 1.87 0.00 -1.71 -2.13 119.26 118.83 2r8x h ALA 105 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2r8x h ALA 105 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2r8x h ALA 105 CO 0.02 0.46 0.10 0.35 0.00 0.00 0.00 179.25 180.17 2r8x h PHE 106 N 0.79 0.39 -0.61 0.00 3.04 -1.20 -1.52 116.94 117.82 2r8x h PHE 106 Ca 0.20 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.02 2r8x h PHE 106 Cb 0.07 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 2r8x h PHE 106 CO 0.01 0.41 0.02 0.77 -2.02 0.00 0.00 178.31 177.50 2r8x h SER 107 N 0.25 1.04 -0.55 0.41 0.02 -1.17 -2.42 113.55 111.13 2r8x h SER 107 Ca 0.08 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2r8x h SER 107 Cb 0.19 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2r8x h SER 107 CO -0.01 1.08 0.34 -0.78 -1.14 0.00 0.00 176.83 176.33 2r8x h ASP 108 N 0.98 0.56 -0.48 3.07 3.58 -1.27 -1.94 116.42 120.91 2r8x h ASP 108 Ca 0.18 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2r8x h ASP 108 Cb 0.54 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2r8x h ASP 108 CO 0.03 0.40 0.30 -0.07 -2.88 0.00 0.00 179.24 177.01 2r8x h LEU 109 N 0.68 0.58 -0.79 2.28 3.38 -1.12 -1.15 115.31 119.17 2r8x h LEU 109 Ca 0.22 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2r8x h LEU 109 Cb -0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2r8x h LEU 109 CO -0.09 0.45 0.29 -0.07 0.09 0.00 0.00 178.44 179.12 2r8x h LEU 110 N 0.65 1.11 -0.25 1.67 3.38 -1.21 -1.30 115.31 119.35 2r8x h LEU 110 Ca 0.17 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2r8x h LEU 110 Cb -0.02 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2r8x h LEU 110 CO -0.03 0.99 -0.39 -0.33 0.09 0.00 0.00 178.44 178.77 2r8x h GLU 111 N 1.15 0.70 -0.16 1.13 4.39 -1.23 -1.35 114.58 119.21 2r8x h GLU 111 Ca 0.26 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 2r8x h GLU 111 Cb 0.25 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2r8x h GLU 111 CO -0.02 1.04 -0.43 0.87 -1.16 0.00 0.00 179.01 179.32 2r8x h LYS 112 N 0.42 0.38 -0.03 2.33 1.57 -1.09 -3.20 116.57 116.95 2r8x h LYS 112 Ca 0.02 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2r8x h LYS 112 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2r8x h LYS 112 CO 0.09 0.74 -0.05 1.28 -0.57 0.00 0.00 179.45 180.94 2r8x n LEU 113 N -4.01 2.79 -4.00 2.94 4.77 -0.50 -4.98 117.00 114.00 2r8x n LEU 113 Ca -0.02 -0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 54.71 2r8x n LEU 113 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2r8x n LEU 113 CO 0.43 0.47 -0.12 0.00 -1.33 0.00 0.00 177.39 176.85 2r8x n ALA 114 N 1.13 -1.71 -2.73 -1.18 0.00 -0.55 -4.98 120.51 110.49 2r8x n ALA 114 Ca 0.13 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2r8x n ALA 114 Cb 0.56 -2.48 -0.16 0.00 0.00 0.00 0.00 19.45 17.37 2r8x n ALA 114 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2r8x s ILE 115 N -3.66 2.37 0.44 0.00 2.07 -0.97 -5.06 121.20 116.40 2r8x s ILE 115 Ca 0.29 -0.95 -0.22 0.00 -1.41 0.00 0.00 60.65 58.36 2r8x s ILE 115 Cb -0.16 -1.90 -0.09 0.00 0.13 0.00 0.00 42.46 40.45 2r8x s ILE 115 CO 0.89 0.57 1.04 0.00 -1.91 0.00 0.00 174.94 175.53 2r8x s ALA 116 N -0.20 2.98 0.55 1.50 0.00 -1.26 -4.69 121.76 120.64 2r8x s ALA 116 Ca -0.02 0.65 0.27 0.00 0.00 0.00 0.00 51.96 52.86 2r8x s ALA 116 Cb -0.13 -3.26 1.46 0.00 0.00 0.00 0.00 23.12 21.19 2r8x s ALA 116 CO 0.03 -0.26 1.99 -1.00 0.00 0.00 0.00 175.76 176.53 2r8x h PRO 117 N 2.00 0.00 0.00 0.00 0.13 -1.97 -1.57 132.00 130.60 2r8x h PRO 117 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2r8x h PRO 117 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2r8x h PRO 117 CO 0.61 0.00 -0.04 1.05 -0.23 0.00 0.00 178.00 179.39 2r8x h GLU 118 N 0.00 0.00 -0.64 0.86 9.09 -1.90 -0.64 114.58 121.35 2r8x h GLU 118 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 2r8x h GLU 118 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 2r8x h GLU 118 CO -0.00 0.04 0.00 0.09 0.05 0.00 0.00 179.01 179.18 2r8x n ASN 119 N -3.17 4.57 -4.51 3.06 3.02 -0.59 -3.98 115.26 113.66 2r8x n ASN 119 Ca -0.00 -2.53 -0.33 0.00 -0.03 0.00 0.00 54.58 51.69 2r8x n ASN 119 Cb 0.29 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 2r8x n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2r8x s VAL 120 N -2.05 3.40 -0.04 2.41 1.01 -0.95 -0.14 120.40 124.05 2r8x s VAL 120 Ca 0.46 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2r8x s VAL 120 Cb 0.32 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2r8x s VAL 120 CO 0.19 0.58 -0.19 0.00 0.00 0.00 0.00 175.10 175.68 2r8x s ALA 121 N -0.58 2.45 -0.06 5.51 0.00 0.35 -1.80 121.76 127.64 2r8x s ALA 121 Ca 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2r8x s ALA 121 Cb -0.12 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.21 2r8x s ALA 121 CO 0.02 0.53 -0.10 -0.47 0.00 0.00 0.00 175.76 175.73 2r8x s TYR 122 N -0.61 1.28 -0.32 0.00 5.04 -0.53 0.15 117.35 122.36 2r8x s TYR 122 Ca 0.09 -0.46 -0.06 0.00 -2.44 0.00 0.00 57.07 54.20 2r8x s TYR 122 Cb -0.11 -0.97 0.03 0.00 0.35 0.00 0.00 41.96 41.26 2r8x s TYR 122 CO 0.00 -0.26 0.08 0.08 -1.34 0.00 0.00 175.55 174.11 2r8x s VAL 123 N 0.77 3.74 0.45 3.14 1.01 -0.61 -0.33 120.40 128.58 2r8x s VAL 123 Ca -0.13 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.90 2r8x s VAL 123 Cb -0.15 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 2r8x s VAL 123 CO 0.02 -0.07 0.08 -0.83 0.00 0.00 0.00 175.10 174.30 2r8x s GLY 124 N 1.42 2.60 0.00 4.51 0.00 0.22 -2.77 107.32 113.31 2r8x s GLY 124 Ca -0.00 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.06 2r8x s GLY 124 CO 0.02 -2.07 0.00 2.09 0.00 0.00 0.00 173.10 173.14 2r8x n ASP 125 N -1.18 0.00 -3.71 1.64 5.68 -1.26 -2.57 116.55 115.15 2r8x n ASP 125 Ca -0.08 -0.17 -0.12 0.00 -0.50 0.00 0.00 54.79 53.93 2r8x n ASP 125 Cb 0.66 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.59 2r8x n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2r8x s ASP 126 N -0.00 0.39 0.54 -1.12 -1.08 -1.26 -0.88 116.67 113.26 2r8x s ASP 126 Ca 0.00 -1.26 0.30 0.00 -0.52 0.00 0.00 52.55 51.07 2r8x s ASP 126 Cb 0.00 0.58 1.57 0.00 -1.46 0.00 0.00 42.92 43.61 2r8x s ASP 126 CO 0.00 -1.15 2.11 -0.07 0.52 0.00 0.00 175.17 176.58 2r8x h LEU 127 N 2.26 0.00 -1.67 -1.34 3.38 -1.98 -1.51 115.31 114.45 2r8x h LEU 127 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2r8x h LEU 127 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2r8x h LEU 127 CO 0.40 0.09 -0.03 -0.29 0.09 0.00 0.00 178.44 178.70 2r8x h ILE 128 N 0.00 0.10 0.00 1.22 6.09 -1.97 -2.57 117.51 120.38 2r8x h ILE 128 Ca -0.00 -0.50 -0.13 0.00 -1.37 0.00 0.00 64.86 62.86 2r8x h ILE 128 Cb 0.29 1.45 -0.02 0.00 0.47 0.00 0.00 36.82 39.02 2r8x h ILE 128 CO 0.01 0.03 -0.60 0.44 -3.07 0.00 0.00 178.15 174.97 2r8x h ASP 129 N 0.00 0.00 -0.57 2.19 3.32 -1.67 -3.39 116.42 116.29 2r8x h ASP 129 Ca -0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2r8x h ASP 129 Cb 0.45 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 2r8x h ASP 129 CO 0.00 0.60 0.29 -0.25 -1.72 0.00 0.00 179.24 178.16 2r8x h TRP 130 N 0.00 0.53 -0.73 4.55 2.91 -1.54 -2.33 115.95 119.34 2r8x h TRP 130 Ca -0.01 0.02 0.17 0.00 1.13 0.00 0.00 58.89 60.21 2r8x h TRP 130 Cb 1.46 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.91 2r8x h TRP 130 CO 0.00 0.24 0.50 -1.35 -1.03 0.00 0.00 178.44 176.80 2r8x h PRO 131 N 0.55 0.26 0.00 2.65 0.11 -1.76 0.55 132.00 134.36 2r8x h PRO 131 Ca 0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 2r8x h PRO 131 Cb 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2r8x h PRO 131 CO -0.19 0.17 -0.03 0.28 -0.21 0.00 0.00 178.00 178.02 2r8x h VAL 132 N 0.26 1.72 -0.96 3.15 2.07 -1.75 -3.35 116.25 117.39 2r8x h VAL 132 Ca 0.36 -2.17 0.20 0.00 0.82 0.00 0.00 66.70 65.91 2r8x h VAL 132 Cb 1.02 3.19 -0.09 0.00 -1.52 0.00 0.00 31.29 33.90 2r8x h VAL 132 CO -0.08 0.57 0.61 0.24 0.02 0.00 0.00 177.57 178.92 2r8x h MET 133 N -0.89 0.55 -0.18 1.57 2.86 -0.79 0.11 114.93 118.16 2r8x h MET 133 Ca -0.01 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 2r8x h MET 133 Cb 0.94 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2r8x h MET 133 CO 0.01 0.36 0.13 1.49 1.06 0.00 0.00 176.91 179.96 2r8x h GLU 134 N 0.57 0.00 0.00 1.72 4.81 -1.06 -2.90 114.58 117.71 2r8x h GLU 134 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 2r8x h GLU 134 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2r8x h GLU 134 CO -0.27 0.00 -1.15 1.63 -0.73 0.00 0.00 179.01 178.49 2r8x n LYS 135 N -4.42 0.17 -2.58 1.92 5.02 0.01 -4.98 118.16 113.30 2r8x n LYS 135 Ca 0.01 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 2r8x n LYS 135 Cb 0.27 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 2r8x n LYS 135 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2r8x s VAL 136 N -3.13 4.44 0.14 -0.18 -7.23 -1.10 -4.58 120.40 108.77 2r8x s VAL 136 Ca 0.05 0.09 -0.13 0.00 -1.81 0.00 0.00 61.98 60.18 2r8x s VAL 136 Cb 0.15 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 2r8x s VAL 136 CO 0.85 -0.69 1.55 1.23 -0.31 0.00 0.00 175.10 177.73 2r8x h GLY 137 N 0.11 0.92 -7.46 2.32 0.00 -0.32 -3.41 103.07 95.23 2r8x h GLY 137 Ca -0.46 -0.75 -0.61 0.00 0.00 0.00 0.00 47.33 45.50 2r8x h GLY 137 CO 0.61 0.69 -0.75 -2.27 0.00 0.00 0.00 176.54 174.81 2r8x s LEU 138 N -9.25 3.04 -0.04 3.11 2.96 -0.90 -4.93 118.68 112.66 2r8x s LEU 138 Ca -0.12 -1.62 -0.17 0.00 -0.22 0.00 0.00 54.13 52.00 2r8x s LEU 138 Cb 0.11 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 2r8x s LEU 138 CO 0.83 -0.35 0.46 -0.94 -1.32 0.00 0.00 176.35 175.04 2r8x s SER 139 N 1.35 6.79 -0.07 3.68 1.04 -1.26 -1.45 113.70 123.79 2r8x s SER 139 Ca 0.05 0.94 0.02 0.00 0.48 0.00 0.00 55.95 57.45 2r8x s SER 139 Cb -0.18 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.67 2r8x s SER 139 CO -0.14 0.17 -0.13 -0.69 0.98 0.00 0.00 173.24 173.43 2r8x s VAL 140 N -0.30 1.19 -0.13 5.02 1.01 0.55 -1.70 120.40 126.04 2r8x s VAL 140 Ca 0.26 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2r8x s VAL 140 Cb -0.16 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2r8x s VAL 140 CO 0.13 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.55 2r8x s ALA 141 N 0.63 3.03 0.73 5.51 0.00 -0.58 -0.61 121.76 130.47 2r8x s ALA 141 Ca -0.15 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 2r8x s ALA 141 Cb -0.16 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 21.53 2r8x s ALA 141 CO 0.04 0.34 1.13 0.14 0.00 0.00 0.00 175.76 177.40 2r8x s VAL 142 N -0.03 2.96 0.32 0.00 -7.23 -1.06 -1.55 120.40 113.81 2r8x s VAL 142 Ca 0.01 0.40 0.09 0.00 -1.81 0.00 0.00 61.98 60.67 2r8x s VAL 142 Cb -0.13 -2.86 0.32 0.00 0.56 0.00 0.00 36.38 34.27 2r8x s VAL 142 CO 0.03 -0.33 1.66 0.00 -0.31 0.00 0.00 175.10 176.15 2r8x h ALA 143 N -0.56 1.69 -0.53 1.32 0.00 -1.53 -1.41 119.26 118.23 2r8x h ALA 143 Ca -0.46 0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.32 2r8x h ALA 143 Cb 1.25 0.20 -0.21 0.00 0.00 0.00 0.00 17.79 19.04 2r8x h ALA 143 CO 0.51 -0.50 -0.11 -0.40 0.00 0.00 0.00 179.25 178.75 2r8x n ASP 144 N -5.10 3.67 -4.56 0.00 5.75 -1.26 -5.00 116.55 110.05 2r8x n ASP 144 Ca 0.27 -3.79 -0.29 0.00 -0.01 0.00 0.00 54.79 50.98 2r8x n ASP 144 Cb 0.85 -0.62 0.22 0.00 -1.03 0.00 0.00 41.12 40.54 2r8x n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2r8x s ALA 145 N -3.41 0.16 0.25 2.12 0.00 -0.53 -4.93 121.76 115.41 2r8x s ALA 145 Ca 0.49 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.10 2r8x s ALA 145 Cb 0.42 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 20.15 2r8x s ALA 145 CO 0.01 -3.44 1.44 1.58 0.00 0.00 0.00 175.76 175.34 2r8x n HIS 146 N -4.64 2.26 -0.27 0.00 -0.00 -0.06 -4.82 115.22 107.69 2r8x n HIS 146 Ca 0.05 0.40 0.28 0.00 0.46 0.00 0.00 57.72 58.92 2r8x n HIS 146 Cb 0.54 -2.48 0.66 0.00 -0.12 0.00 0.00 29.99 28.59 2r8x n HIS 146 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2r8x h PRO 147 N 4.33 0.13 0.00 1.57 0.11 -1.92 0.19 132.00 136.42 2r8x h PRO 147 Ca -0.45 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2r8x h PRO 147 Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2r8x h PRO 147 CO 0.76 0.09 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.32 2r8x h LEU 148 N 0.13 0.00 0.19 2.35 3.38 -1.99 -3.28 115.31 116.09 2r8x h LEU 148 Ca 0.52 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.23 2r8x h LEU 148 Cb 1.79 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.57 2r8x h LEU 148 CO -0.09 0.25 -1.14 0.25 0.09 0.00 0.00 178.44 177.80 2r8x h LEU 149 N 0.00 0.62 -0.84 1.67 5.85 -1.31 -3.40 115.31 117.90 2r8x h LEU 149 Ca -0.00 -0.94 0.14 0.00 0.84 0.00 0.00 57.88 57.92 2r8x h LEU 149 Cb 1.00 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.68 2r8x h LEU 149 CO 0.03 1.54 -0.36 0.40 -0.34 0.00 0.00 178.44 179.72 2r8x h ILE 150 N -0.15 0.07 0.00 4.05 2.04 -1.57 -0.08 117.51 121.87 2r8x h ILE 150 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2r8x h ILE 150 Cb 1.87 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2r8x h ILE 150 CO 0.20 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.70 2r8x n PRO 151 N -5.46 0.14 0.15 2.37 -0.02 -1.26 -2.85 135.00 128.07 2r8x n PRO 151 Ca 0.08 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 2r8x n PRO 151 Cb 0.39 -1.78 0.06 0.00 -0.02 0.00 0.00 33.50 32.15 2r8x n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r8x h ARG 152 N 0.00 0.00 -6.96 -0.52 3.08 -1.23 -3.47 114.38 105.27 2r8x h ARG 152 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 2r8x h ARG 152 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2r8x h ARG 152 CO 0.00 0.21 0.24 0.00 -1.07 0.00 0.00 179.97 179.35 2r8x s ALA 153 N -3.11 3.19 0.18 0.04 0.00 -1.13 -4.98 121.76 115.95 2r8x s ALA 153 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 2r8x s ALA 153 Cb 0.07 -2.94 0.09 0.00 0.00 0.00 0.00 23.12 20.34 2r8x s ALA 153 CO 0.73 0.04 1.76 -0.44 0.00 0.00 0.00 175.76 177.85 2r8x h ASP 154 N 1.54 0.82 -3.80 0.00 3.45 -1.68 -3.44 116.42 113.32 2r8x h ASP 154 Ca -0.48 -0.14 -0.40 0.00 0.43 0.00 0.00 57.03 56.44 2r8x h ASP 154 Cb 1.18 -0.21 -0.31 0.00 -0.56 0.00 0.00 39.33 39.43 2r8x h ASP 154 CO 0.63 0.74 -0.78 -0.47 -1.57 0.00 0.00 179.24 177.79 2r8x s TYR 155 N -5.66 0.81 -0.21 4.55 5.04 -0.85 -4.95 117.35 116.09 2r8x s TYR 155 Ca -0.13 -0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.27 2r8x s TYR 155 Cb 0.13 -0.59 -0.01 0.00 0.35 0.00 0.00 41.96 41.84 2r8x s TYR 155 CO 0.79 -0.09 -0.05 0.08 -1.34 0.00 0.00 175.55 174.95 2r8x s VAL 156 N 0.21 3.40 0.58 3.14 1.01 -1.26 -1.53 120.40 125.95 2r8x s VAL 156 Ca -0.03 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2r8x s VAL 156 Cb -0.08 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2r8x s VAL 156 CO 0.00 0.43 1.16 0.42 0.00 0.00 0.00 175.10 177.12 2r8x s THR 157 N 1.31 2.92 0.13 3.92 -4.23 -0.59 -4.90 115.64 114.20 2r8x s THR 157 Ca 0.04 0.55 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2r8x s THR 157 Cb -0.14 -3.20 -0.19 0.00 1.34 0.00 0.00 72.50 70.30 2r8x s THR 157 CO -0.02 -0.14 1.30 0.03 -0.54 0.00 0.00 174.62 175.25 2r8x h ARG 158 N 0.92 0.16 -6.00 3.99 -0.00 -1.92 -3.07 114.38 108.47 2r8x h ARG 158 Ca -0.50 -0.22 -0.59 0.00 -0.50 0.00 0.00 59.98 58.17 2r8x h ARG 158 Cb 1.28 0.07 -0.06 0.00 0.00 0.00 0.00 29.97 31.26 2r8x h ARG 158 CO 0.56 1.02 -0.15 0.42 0.00 0.00 0.00 179.97 181.82 2r8x s ILE 159 N -2.96 5.00 0.85 2.04 -1.09 -1.26 -4.75 121.20 119.03 2r8x s ILE 159 Ca -0.02 0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 59.24 2r8x s ILE 159 Cb 0.09 -3.78 0.10 0.00 -1.58 0.00 0.00 42.46 37.30 2r8x s ILE 159 CO 0.84 0.51 1.10 0.00 -1.23 0.00 0.00 174.94 176.16 2r8x s ALA 160 N -0.67 1.86 0.18 9.38 0.00 -1.26 -3.33 121.76 127.92 2r8x s ALA 160 Ca 0.25 -0.15 -0.32 0.00 0.00 0.00 0.00 51.96 51.75 2r8x s ALA 160 Cb -0.17 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 2r8x s ALA 160 CO 0.14 -2.08 1.61 0.20 0.00 0.00 0.00 175.76 175.63 2r8x s GLY 161 N -3.66 1.51 0.00 0.00 0.00 -1.26 -2.12 107.32 101.80 2r8x s GLY 161 Ca 0.62 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.78 2r8x s GLY 161 CO 0.56 2.68 0.00 0.61 0.00 0.00 0.00 173.10 176.95 2r8x n GLY 162 N 3.71 0.84 0.26 0.20 0.00 -0.93 -3.60 105.19 105.67 2r8x n GLY 162 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2r8x n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r8x n ARG 163 N -2.07 0.10 0.00 1.61 5.12 -0.90 -4.54 116.66 115.98 2r8x n ARG 163 Ca 0.00 -0.86 0.00 0.00 -1.93 0.00 0.00 57.85 55.06 2r8x n ARG 163 Cb 0.00 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 2r8x n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2r8x n GLY 164 N 0.40 1.69 0.31 -0.13 0.00 -1.25 -4.88 105.19 101.32 2r8x n GLY 164 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2r8x n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r8x h ALA 165 N 0.00 0.92 -0.41 4.61 0.00 -1.74 -1.18 119.26 121.45 2r8x h ALA 165 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2r8x h ALA 165 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2r8x h ALA 165 CO 0.00 0.54 -0.23 0.28 0.00 0.00 0.00 179.25 179.84 2r8x h VAL 166 N 1.01 1.28 -0.69 0.00 2.07 -1.90 -2.44 116.25 115.59 2r8x h VAL 166 Ca 0.24 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.43 2r8x h VAL 166 Cb 0.21 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2r8x h VAL 166 CO -0.02 0.47 0.39 -0.09 0.02 0.00 0.00 177.57 178.33 2r8x h ARG 167 N 0.71 0.69 -0.68 1.57 9.65 -1.77 0.46 114.38 125.02 2r8x h ARG 167 Ca 0.09 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.99 2r8x h ARG 167 Cb 0.80 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 29.17 2r8x h ARG 167 CO 0.07 0.46 0.38 1.49 2.80 0.00 0.00 179.97 185.16 2r8x h GLU 168 N 0.71 0.67 -0.26 0.20 4.81 -0.95 0.45 114.58 120.20 2r8x h GLU 168 Ca 0.31 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2r8x h GLU 168 Cb 0.20 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2r8x h GLU 168 CO -0.19 0.44 -0.25 0.28 -0.73 0.00 0.00 179.01 178.56 2r8x h VAL 169 N 0.69 1.31 -0.38 0.32 2.07 -1.01 -0.86 116.25 118.39 2r8x h VAL 169 Ca 0.31 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2r8x h VAL 169 Cb 0.20 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2r8x h VAL 169 CO -0.19 0.45 0.16 0.00 0.02 0.00 0.00 177.57 178.01 2r8x h ASP 171 N 0.33 0.95 -0.17 0.00 3.45 -0.02 -1.43 116.42 119.54 2r8x h ASP 171 Ca 0.17 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 2r8x h ASP 171 Cb 0.11 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 2r8x h ASP 171 CO -0.15 0.57 0.03 0.25 -1.57 0.00 0.00 179.24 178.37 2r8x h LEU 172 N 1.07 0.27 -0.29 1.55 5.85 -0.41 -1.44 115.31 121.91 2r8x h LEU 172 Ca 0.44 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2r8x h LEU 172 Cb 0.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2r8x h LEU 172 CO -0.21 0.47 0.12 -0.07 -0.34 0.00 0.00 178.44 178.41 2r8x h LEU 173 N 0.07 0.40 -0.92 2.25 3.38 -0.97 -0.86 115.31 118.66 2r8x h LEU 173 Ca 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2r8x h LEU 173 Cb 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2r8x h LEU 173 CO 0.00 0.44 0.25 -0.07 0.09 0.00 0.00 178.44 179.16 2r8x h LEU 174 N 0.33 0.96 -0.14 1.67 3.38 -1.25 0.15 115.31 120.41 2r8x h LEU 174 Ca 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2r8x h LEU 174 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2r8x h LEU 174 CO -0.01 0.87 0.03 0.25 0.09 0.00 0.00 178.44 179.67 2r8x h LEU 175 N 1.01 0.21 -1.85 1.67 5.85 -1.12 0.63 115.31 121.72 2r8x h LEU 175 Ca 0.23 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2r8x h LEU 175 Cb 0.23 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2r8x h LEU 175 CO -0.02 0.40 -0.11 0.00 -0.34 0.00 0.00 178.44 178.38 2r8x h ALA 176 N 0.82 1.71 -0.65 1.25 0.00 -0.87 -2.54 119.26 118.97 2r8x h ALA 176 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2r8x h ALA 176 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2r8x h ALA 176 CO 0.00 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.43 2r8x n GLN 177 N -4.25 2.93 -1.84 0.00 6.02 0.02 -4.56 117.38 115.71 2r8x n GLN 177 Ca -0.03 -2.61 -0.11 0.00 -0.01 0.00 0.00 57.00 54.24 2r8x n GLN 177 Cb 0.19 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 2r8x n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r8x n GLY 178 N 1.34 0.45 0.05 1.08 0.00 -0.48 -4.91 105.19 102.72 2r8x n GLY 178 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2r8x n GLY 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r8x n LYS 179 N -2.31 2.13 -0.15 1.61 5.02 0.21 -4.81 118.16 119.86 2r8x n LYS 179 Ca -0.12 -1.32 -0.09 0.00 -2.02 0.00 0.00 58.31 54.76 2r8x n LYS 179 Cb 0.50 -1.02 -0.00 0.00 -0.02 0.00 0.00 35.03 34.49 2r8x n LYS 179 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2r8x h LEU 180 N 0.16 0.59 -0.38 -0.35 5.85 -1.80 -0.64 115.31 118.74 2r8x h LEU 180 Ca 0.00 -0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.38 2r8x h LEU 180 Cb 0.41 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2r8x h LEU 180 CO 0.00 0.59 -0.54 0.44 -0.34 0.00 0.00 178.44 178.59 2r8x h ASP 181 N 0.56 0.84 0.62 1.25 3.32 -1.90 -3.33 116.42 117.77 2r8x h ASP 181 Ca 0.15 -0.45 -0.20 0.00 0.02 0.00 0.00 57.03 56.55 2r8x h ASP 181 Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2r8x h ASP 181 CO -0.01 1.22 -0.88 -0.33 -1.72 0.00 0.00 179.24 177.51 2r8x h GLU 182 N 0.58 0.17 -6.92 3.56 4.39 -1.84 -3.47 114.58 111.07 2r8x h GLU 182 Ca 0.01 -0.19 -0.54 0.00 0.34 0.00 0.00 59.36 58.98 2r8x h GLU 182 Cb 1.13 0.06 0.10 0.00 -0.10 0.00 0.00 28.75 29.94 2r8x h GLU 182 CO 0.11 0.94 0.82 0.00 -1.16 0.00 0.00 179.01 179.72 2r8x s ALA 183 N -3.18 3.62 -0.14 3.43 0.00 -0.26 -5.02 121.76 120.21 2r8x s ALA 183 Ca -0.02 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.56 2r8x s ALA 183 Cb 0.10 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2r8x s ALA 183 CO 0.83 -1.07 -0.22 0.15 0.00 0.00 0.00 175.76 175.45 2r8x s LYS 184 N -1.74 3.03 0.37 0.00 -0.14 -1.26 -5.03 119.74 114.97 2r8x s LYS 184 Ca 0.55 -0.85 0.04 0.00 -1.36 0.00 0.00 55.97 54.35 2r8x s LYS 184 Cb -0.47 -2.44 -0.05 0.00 -1.68 0.00 0.00 37.83 33.18 2r8x s LYS 184 CO 0.60 -0.02 0.06 0.20 -0.76 0.00 0.00 175.35 175.44 2r8x s GLY 185 N 0.82 2.33 -0.11 -3.33 0.00 -1.26 -4.08 107.32 101.69 2r8x s GLY 185 Ca -0.07 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 42.90 2r8x s GLY 185 CO -0.02 -1.89 -0.18 1.20 0.00 0.00 0.00 173.10 172.21 2r8x s GLN 186 N -3.83 3.19 -1.28 2.90 1.11 -1.26 -4.98 119.66 115.50 2r8x s GLN 186 Ca 0.31 -0.76 -0.18 0.00 0.01 0.00 0.00 55.36 54.73 2r8x s GLN 186 Cb 0.07 -2.48 0.03 0.00 -1.01 0.00 0.00 33.01 29.62 2r8x s GLN 186 CO 0.14 0.23 1.86 0.45 0.01 0.00 0.00 175.29 177.98 2r8x n SER 187 N 3.44 4.36 0.00 5.90 2.88 -1.26 -2.68 113.62 126.25 2r8x n SER 187 Ca -0.18 -2.86 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 2r8x n SER 187 Cb 0.53 -1.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 2r8x n SER 187 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11