#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2amm s ASP 1 N 0.00 2.60 0.81 6.12 1.01 -1.26 -4.43 116.67 121.52 2amm s ASP 1 Ca 0.00 -0.42 -0.13 0.00 0.71 0.00 0.00 52.55 52.72 2amm s ASP 1 Cb 0.00 -0.52 0.08 0.00 1.01 0.00 0.00 42.92 43.49 2amm s ASP 1 CO 0.00 0.23 1.17 0.00 0.21 0.00 0.00 175.17 176.78 2amm s SER 3 N -2.46 6.57 0.07 0.00 0.01 -1.26 -4.92 113.70 111.71 2amm s SER 3 Ca 0.70 2.65 0.19 0.00 1.31 0.00 0.00 55.95 60.80 2amm s SER 3 Cb -0.25 -2.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.25 2amm s SER 3 CO 0.51 -0.83 0.77 0.35 0.41 0.00 0.00 173.24 174.45 2amm n THR 4 N 3.87 0.86 -1.77 1.44 -2.24 -1.26 -4.48 114.28 110.69 2amm n THR 4 Ca 0.14 -0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 2amm n THR 4 Cb 0.38 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.11 2amm n THR 4 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2amm n ASN 5 N -2.72 6.77 -3.81 3.42 4.05 -1.26 -4.82 115.26 116.89 2amm n ASN 5 Ca -0.08 -2.88 -0.27 0.00 0.45 0.00 0.00 54.58 51.80 2amm n ASN 5 Cb 0.74 -1.52 -0.16 0.00 1.23 0.00 0.00 39.78 40.07 2amm n ASN 5 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2amm s ILE 6 N 1.23 0.80 0.06 -1.44 -1.09 -1.26 -5.11 121.20 114.39 2amm s ILE 6 Ca 0.55 -0.57 -0.15 0.00 -2.23 0.00 0.00 60.65 58.25 2amm s ILE 6 Cb 0.16 -1.13 0.02 0.00 -1.58 0.00 0.00 42.46 39.93 2amm s ILE 6 CO -0.06 -0.04 0.33 -0.94 -1.23 0.00 0.00 174.94 173.00 2amm s SER 7 N 1.75 -0.16 0.56 3.58 1.04 -1.26 -5.11 113.70 114.11 2amm s SER 7 Ca -0.00 -0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.05 2amm s SER 7 Cb -0.16 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 2amm s SER 7 CO -0.07 -0.67 1.05 -2.16 0.98 0.00 0.00 173.24 172.36 2amm s PRO 8 N -2.83 3.49 0.04 4.02 0.04 -1.26 -4.81 135.00 133.68 2amm s PRO 8 Ca -0.03 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 2amm s PRO 8 Cb 0.00 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2amm s PRO 8 CO -0.05 -0.67 1.23 0.21 0.04 0.00 0.00 177.00 177.76 2amm s LYS 9 N -3.89 4.39 0.37 4.56 2.20 -0.74 -4.92 119.74 121.71 2amm s LYS 9 Ca 0.64 1.79 -0.24 0.00 -0.36 0.00 0.00 55.97 57.80 2amm s LYS 9 Cb -0.15 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 2amm s LYS 9 CO 0.33 -0.34 0.94 -0.65 -0.36 0.00 0.00 175.35 175.27 2amm s GLN 10 N 1.42 4.42 0.00 4.03 -1.52 -1.26 -3.40 119.66 123.34 2amm s GLN 10 Ca 0.59 1.23 0.00 0.00 -1.95 0.00 0.00 55.36 55.23 2amm s GLN 10 Cb -0.29 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.97 2amm s GLN 10 CO 0.28 0.14 0.00 0.41 -0.25 0.00 0.00 175.29 175.87 2amm n GLY 11 N 0.02 0.75 3.74 3.09 0.00 -1.26 -5.04 105.19 106.50 2amm n GLY 11 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2amm n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2amm s LEU 12 N 0.00 4.41 -0.33 0.99 1.43 -1.22 -4.96 118.68 119.00 2amm s LEU 12 Ca 0.00 2.42 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 2amm s LEU 12 Cb 0.00 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.62 2amm s LEU 12 CO 0.00 -0.54 1.16 -0.62 0.23 0.00 0.00 176.35 176.58 2amm s ASP 13 N 0.35 6.81 0.53 2.29 -1.08 -1.26 -4.91 116.67 119.40 2amm s ASP 13 Ca 0.57 1.05 0.24 0.00 -0.52 0.00 0.00 52.55 53.88 2amm s ASP 13 Cb -0.37 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.02 2amm s ASP 13 CO 0.39 -0.99 2.15 0.07 0.52 0.00 0.00 175.17 177.30 2amm h LYS 14 N 8.63 0.00 0.00 4.34 2.10 -2.00 -1.31 116.57 128.33 2amm h LYS 14 Ca -0.23 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.41 2amm h LYS 14 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2amm h LYS 14 CO 1.04 0.06 -0.08 0.00 -2.00 0.00 0.00 179.45 178.48 2amm h ALA 15 N 1.94 1.11 -0.01 0.07 0.00 -1.91 -0.85 119.26 119.61 2amm h ALA 15 Ca -0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2amm h ALA 15 Cb 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2amm h ALA 15 CO 0.01 0.10 -0.97 0.87 0.00 0.00 0.00 179.25 179.25 2amm h LYS 16 N 0.00 0.59 0.02 0.00 1.57 -1.59 -3.38 116.57 113.79 2amm h LYS 16 Ca -0.00 -0.62 -0.00 0.00 -1.87 0.00 0.00 60.65 58.16 2amm h LYS 16 Cb 0.39 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2amm h LYS 16 CO 0.01 1.23 -0.01 -0.92 -0.57 0.00 0.00 179.45 179.19 2amm h TYR 17 N 0.34 -0.03 -0.19 -1.35 3.20 -1.43 -3.38 116.97 114.13 2amm h TYR 17 Ca -0.10 -0.00 -0.70 0.00 3.14 0.00 0.00 58.73 61.06 2amm h TYR 17 Cb 1.62 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.86 2amm h TYR 17 CO 0.08 0.65 3.21 1.19 -1.64 0.00 0.00 178.16 181.65 2amm n PHE 18 N -4.76 3.11 -3.71 -3.82 3.72 -0.37 -4.84 117.46 106.78 2amm n PHE 18 Ca -0.09 -2.99 -0.14 0.00 -0.05 0.00 0.00 57.45 54.19 2amm n PHE 18 Cb 0.34 -2.45 -0.09 0.00 -0.94 0.00 0.00 39.48 36.34 2amm n PHE 18 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2amm s SER 19 N 2.53 -0.42 0.49 4.37 1.04 -1.26 -4.85 113.70 115.61 2amm s SER 19 Ca 0.53 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2amm s SER 19 Cb 0.15 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2amm s SER 19 CO -0.07 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2amm n GLY 20 N 2.23 2.09 3.24 7.32 0.00 -1.26 -4.71 105.19 114.10 2amm n GLY 20 Ca -0.16 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2amm n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2amm s LYS 21 N 0.00 1.06 0.05 1.61 -2.85 -1.26 -4.60 119.74 113.75 2amm s LYS 21 Ca 0.00 -1.47 0.07 0.00 -1.00 0.00 0.00 55.97 53.57 2amm s LYS 21 Cb 0.00 -0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 35.26 2amm s LYS 21 CO 0.00 -0.00 -0.16 -1.58 0.10 0.00 0.00 175.35 173.70 2amm s TRP 22 N -3.46 2.60 -0.04 1.78 0.52 -0.17 -4.31 118.94 115.86 2amm s TRP 22 Ca 0.19 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 56.15 2amm s TRP 22 Cb 0.04 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 2amm s TRP 22 CO 0.01 0.30 -0.24 0.71 0.02 0.00 0.00 176.95 177.74 2amm s TYR 23 N -0.98 2.27 -0.23 -1.98 2.02 0.04 -1.53 117.35 116.96 2amm s TYR 23 Ca 0.16 -0.55 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 2amm s TYR 23 Cb -0.11 -1.48 -0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2amm s TYR 23 CO 0.07 -0.12 0.91 0.08 -1.57 0.00 0.00 175.55 174.92 2amm s VAL 24 N -0.37 4.78 -0.12 0.71 1.01 -0.17 -1.65 120.40 124.59 2amm s VAL 24 Ca 0.03 1.74 0.17 0.00 0.00 0.00 0.00 61.98 63.92 2amm s VAL 24 Cb -0.11 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 2amm s VAL 24 CO 0.01 -0.11 0.73 0.35 0.00 0.00 0.00 175.10 176.09 2amm n THR 25 N 5.25 1.19 -3.79 3.92 -2.24 0.11 -4.64 114.28 114.07 2amm n THR 25 Ca 0.08 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 61.03 2amm n THR 25 Cb 0.47 -0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 2amm n THR 25 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2amm s HIS 26 N -2.89 -0.26 0.06 4.78 3.76 -1.18 -1.09 115.29 118.46 2amm s HIS 26 Ca -0.04 0.64 0.01 0.00 -0.15 0.00 0.00 55.06 55.53 2amm s HIS 26 Cb 0.09 0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.83 2amm s HIS 26 CO 0.82 -0.13 -0.06 -0.59 -0.85 0.00 0.00 174.74 173.93 2amm s PHE 27 N 0.13 0.63 -0.26 1.40 -0.12 -0.21 -0.72 117.98 118.84 2amm s PHE 27 Ca -0.00 -0.72 -0.02 0.00 -0.05 0.00 0.00 56.93 56.14 2amm s PHE 27 Cb -0.02 -0.39 0.08 0.00 -0.63 0.00 0.00 43.02 42.06 2amm s PHE 27 CO 0.00 -0.17 0.07 -1.17 -0.05 0.00 0.00 175.22 173.90 2amm s LEU 28 N -2.22 1.68 -0.24 -1.99 0.20 -0.11 0.83 118.68 116.83 2amm s LEU 28 Ca -0.02 -1.28 -0.05 0.00 0.69 0.00 0.00 54.13 53.46 2amm s LEU 28 Cb -0.02 -0.72 -0.01 0.00 -0.43 0.00 0.00 46.19 45.00 2amm s LEU 28 CO -0.03 -0.37 0.02 -0.62 -0.29 0.00 0.00 176.35 175.05 2amm s ASP 29 N 1.75 4.72 0.48 3.68 -1.08 -1.26 -1.66 116.67 123.30 2amm s ASP 29 Ca 0.05 -0.41 0.27 0.00 -0.52 0.00 0.00 52.55 51.94 2amm s ASP 29 Cb -0.17 -1.82 1.09 0.00 -1.46 0.00 0.00 42.92 40.56 2amm s ASP 29 CO -0.19 -0.06 1.89 0.50 0.52 0.00 0.00 175.17 177.82 2amm h LYS 30 N 8.17 0.00 -5.44 4.34 3.64 -1.95 -3.43 116.57 121.90 2amm h LYS 30 Ca -0.38 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.35 2amm h LYS 30 Cb 1.16 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.83 2amm h LYS 30 CO 0.59 0.14 0.18 0.34 -2.27 0.00 0.00 179.45 178.44 2amm s ASP 31 N -6.03 6.33 0.63 4.20 3.68 -1.26 -4.93 116.67 119.28 2amm s ASP 31 Ca 0.01 -0.38 0.40 0.00 2.13 0.00 0.00 52.55 54.71 2amm s ASP 31 Cb 0.10 -2.33 2.08 0.00 -1.45 0.00 0.00 42.92 41.32 2amm s ASP 31 CO 0.60 -0.84 2.25 1.55 0.13 0.00 0.00 175.17 178.86 2amm h PRO 32 N 8.94 0.00 0.00 4.34 0.13 -2.03 -2.04 132.00 141.34 2amm h PRO 32 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2amm h PRO 32 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2amm h PRO 32 CO 0.92 0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.74 2amm n GLN 33 N -3.16 0.00 -2.76 0.86 6.02 -1.26 -4.29 117.38 112.80 2amm n GLN 33 Ca -0.02 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2amm n GLN 33 Cb 0.14 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 2amm n GLN 33 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2amm s VAL 34 N -3.00 4.20 -0.04 5.09 1.01 -0.77 -4.86 120.40 122.03 2amm s VAL 34 Ca 0.14 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2amm s VAL 34 Cb 0.19 -4.81 -0.24 0.00 0.00 0.00 0.00 36.38 31.53 2amm s VAL 34 CO 0.52 -1.62 0.69 0.71 0.00 0.00 0.00 175.10 175.40 2amm h THR 35 N 6.07 0.92 -3.97 3.92 1.35 -1.86 -3.46 112.91 115.88 2amm h THR 35 Ca -0.15 -2.72 -0.53 0.00 -0.55 0.00 0.00 66.41 62.46 2amm h THR 35 Cb 1.05 2.49 0.10 0.00 -1.73 0.00 0.00 68.15 70.06 2amm h THR 35 CO 1.23 0.61 0.65 -1.81 -0.25 0.00 0.00 175.52 175.94 2amm s ASP 36 N -6.34 6.11 -0.01 5.36 -0.00 -1.26 -5.02 116.67 115.51 2amm s ASP 36 Ca -0.07 2.76 -0.01 0.00 -0.00 0.00 0.00 52.55 55.23 2amm s ASP 36 Cb 0.08 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 2amm s ASP 36 CO 0.82 -1.00 0.09 -1.10 -0.00 0.00 0.00 175.17 173.98 2amm s GLN 37 N -2.35 3.11 0.14 8.23 -1.52 -1.26 -5.01 119.66 121.00 2amm s GLN 37 Ca 0.59 -0.46 0.08 0.00 -1.95 0.00 0.00 55.36 53.62 2amm s GLN 37 Cb -0.40 -2.89 -0.04 0.00 -0.22 0.00 0.00 33.01 29.46 2amm s GLN 37 CO 0.52 0.65 -0.19 0.71 -0.25 0.00 0.00 175.29 176.73 2amm s TYR 38 N -1.21 1.77 0.04 0.91 1.51 -1.26 -0.40 117.35 118.72 2amm s TYR 38 Ca 0.23 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 2amm s TYR 38 Cb -0.12 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 2amm s TYR 38 CO 0.14 0.28 0.09 0.00 -1.11 0.00 0.00 175.55 174.95 2amm s SER 40 N -2.12 0.10 0.00 0.00 0.15 -1.26 -0.11 113.70 110.47 2amm s SER 40 Ca 0.27 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 2amm s SER 40 Cb -0.12 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 2amm s SER 40 CO 0.19 -0.18 0.04 -0.55 1.20 0.00 0.00 173.24 173.94 2amm s SER 41 N -0.82 0.09 0.16 5.45 0.15 -0.98 -1.00 113.70 116.74 2amm s SER 41 Ca -0.09 -0.23 -0.18 0.00 0.70 0.00 0.00 55.95 56.15 2amm s SER 41 Cb -0.06 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.43 2amm s SER 41 CO -0.00 -0.23 0.49 0.72 1.20 0.00 0.00 173.24 175.42 2amm s PHE 42 N -0.95 -0.23 -0.38 3.44 -0.71 -0.58 -0.89 117.98 117.67 2amm s PHE 42 Ca -0.10 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 2amm s PHE 42 Cb -0.06 0.37 0.13 0.00 -1.21 0.00 0.00 43.02 42.24 2amm s PHE 42 CO -0.00 -0.82 0.19 0.99 -1.34 0.00 0.00 175.22 174.25 2amm s THR 43 N -3.82 0.85 0.04 -4.49 2.01 -0.83 -1.00 115.64 108.40 2amm s THR 43 Ca 0.05 -1.97 -0.21 0.00 0.31 0.00 0.00 61.69 59.86 2amm s THR 43 Cb 0.00 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.84 2amm s THR 43 CO -0.09 -0.87 0.63 -2.16 -0.69 0.00 0.00 174.62 171.44 2amm s PRO 44 N 0.92 4.33 0.04 4.92 0.04 -1.26 -3.33 135.00 140.65 2amm s PRO 44 Ca 0.16 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.03 2amm s PRO 44 Cb -0.22 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 2amm s PRO 44 CO -0.07 0.45 -0.08 1.03 0.04 0.00 0.00 177.00 178.38 2amm s ARG 45 N -0.52 0.53 -0.01 4.56 1.81 -0.48 -4.04 118.95 120.80 2amm s ARG 45 Ca 0.32 -0.70 0.02 0.00 -1.72 0.00 0.00 55.73 53.65 2amm s ARG 45 Cb -0.19 -0.32 -0.00 0.00 -0.45 0.00 0.00 34.95 33.98 2amm s ARG 45 CO 0.19 0.06 -0.07 -2.00 -0.68 0.00 0.00 175.30 172.80 2amm s GLU 46 N -1.42 0.58 -0.13 3.54 -6.30 -1.26 -0.92 118.70 112.79 2amm s GLU 46 Ca -0.08 -0.25 -0.04 0.00 -2.50 0.00 0.00 54.97 52.10 2amm s GLU 46 Cb -0.09 -0.56 0.06 0.00 0.00 0.00 0.00 34.13 33.54 2amm s GLU 46 CO 0.00 0.15 0.20 0.45 0.02 0.00 0.00 175.26 176.08 2amm s SER 47 N -0.14 0.84 -1.49 -1.70 0.15 -0.13 -4.89 113.70 106.34 2amm s SER 47 Ca 0.02 0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.85 2amm s SER 47 Cb -0.03 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2amm s SER 47 CO -0.00 -0.27 0.72 0.47 1.20 0.00 0.00 173.24 175.36 2amm n ASP 48 N 5.33 -5.84 0.00 5.45 8.00 -1.26 -1.25 116.55 126.99 2amm n ASP 48 Ca -0.05 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2amm n ASP 48 Cb 0.50 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 2amm n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2amm n GLY 49 N -1.58 0.94 3.65 0.44 0.00 -1.26 -5.02 105.19 102.36 2amm n GLY 49 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2amm n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2amm s THR 50 N -3.77 5.25 -0.15 2.61 2.01 -0.38 -0.13 115.64 121.08 2amm s THR 50 Ca 0.00 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 2amm s THR 50 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2amm s THR 50 CO 0.00 0.36 0.21 -0.69 -0.69 0.00 0.00 174.62 173.81 2amm s VAL 51 N 0.98 5.37 -0.06 3.82 1.01 0.82 -0.95 120.40 131.39 2amm s VAL 51 Ca 0.07 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2amm s VAL 51 Cb -0.13 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 2amm s VAL 51 CO 0.04 0.48 -0.20 -0.54 0.00 0.00 0.00 175.10 174.88 2amm s LYS 52 N -0.10 2.13 -0.12 2.72 3.01 -0.10 -1.62 119.74 125.66 2amm s LYS 52 Ca 0.14 -0.70 -0.06 0.00 -1.01 0.00 0.00 55.97 54.34 2amm s LYS 52 Cb -0.12 -1.79 0.05 0.00 -1.01 0.00 0.00 37.83 34.96 2amm s LYS 52 CO 0.03 0.25 0.29 -1.83 0.51 0.00 0.00 175.35 174.60 2amm s GLU 53 N 0.08 0.24 -0.03 1.68 -1.05 -0.14 -1.38 118.70 118.10 2amm s GLU 53 Ca -0.07 0.62 -0.30 0.00 -0.15 0.00 0.00 54.97 55.08 2amm s GLU 53 Cb -0.13 -0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.44 2amm s GLU 53 CO 0.04 -0.18 1.10 0.00 0.95 0.00 0.00 175.26 177.17 2amm s ALA 54 N 1.44 3.38 -0.05 -0.84 0.00 -1.21 -1.00 121.76 123.47 2amm s ALA 54 Ca -0.08 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2amm s ALA 54 Cb -0.10 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2amm s ALA 54 CO -0.10 -0.54 -0.20 -1.17 0.00 0.00 0.00 175.76 173.76 2amm s LEU 55 N 1.67 1.96 -0.05 0.00 2.96 0.60 -1.96 118.68 123.86 2amm s LEU 55 Ca 0.54 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2amm s LEU 55 Cb -0.23 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.37 2amm s LEU 55 CO 0.24 0.18 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.83 2amm s TYR 56 N -0.00 1.52 -0.08 5.38 5.04 -0.07 -1.28 117.35 127.87 2amm s TYR 56 Ca -0.04 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.13 2amm s TYR 56 Cb -0.12 -1.07 -0.02 0.00 0.35 0.00 0.00 41.96 41.10 2amm s TYR 56 CO 0.03 -0.21 -0.19 -1.01 -1.34 0.00 0.00 175.55 172.83 2amm s HIS 57 N 0.33 2.61 -0.18 4.97 3.76 -0.41 -2.33 115.29 124.04 2amm s HIS 57 Ca -0.09 -0.57 -0.01 0.00 -0.15 0.00 0.00 55.06 54.25 2amm s HIS 57 Cb -0.13 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.89 2amm s HIS 57 CO 0.03 -0.12 -0.14 -0.47 -0.85 0.00 0.00 174.74 173.19 2amm s TYR 58 N -0.15 2.83 -0.54 1.40 5.04 0.85 -0.94 117.35 125.84 2amm s TYR 58 Ca -0.02 -1.30 -0.27 0.00 -2.44 0.00 0.00 57.07 53.04 2amm s TYR 58 Cb -0.14 -1.96 0.03 0.00 0.35 0.00 0.00 41.96 40.24 2amm s TYR 58 CO 0.04 -0.65 1.09 1.21 -1.34 0.00 0.00 175.55 175.89 2amm s ASN 59 N 1.23 6.45 0.42 4.32 3.84 0.12 -0.85 114.94 130.47 2amm s ASN 59 Ca 0.03 0.05 0.21 0.00 0.21 0.00 0.00 52.86 53.35 2amm s ASN 59 Cb -0.14 -2.51 0.89 0.00 -0.55 0.00 0.00 41.25 38.94 2amm s ASN 59 CO -0.07 -1.33 1.83 0.00 -2.79 0.00 0.00 177.10 174.74 2amm h ALA 60 N 9.38 1.10 -0.00 1.71 0.00 -1.02 0.32 119.26 130.75 2amm h ALA 60 Ca -0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2amm h ALA 60 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2amm h ALA 60 CO 1.13 0.36 -0.06 -0.91 0.00 0.00 0.00 179.25 179.77 2amm h ASN 61 N 0.00 0.06 1.13 0.00 4.21 -1.91 -3.34 115.58 115.72 2amm h ASN 61 Ca -0.00 -0.78 0.00 0.00 1.21 0.00 0.00 56.30 56.73 2amm h ASN 61 Cb 0.73 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 2amm h ASN 61 CO 0.04 0.83 -0.24 0.29 -1.29 0.00 0.00 177.43 177.05 2amm n LYS 62 N -4.66 0.21 -3.54 0.81 4.76 -1.20 -4.96 118.16 109.58 2amm n LYS 62 Ca -0.09 0.12 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 2amm n LYS 62 Cb 0.41 -1.70 0.08 0.00 -1.84 0.00 0.00 35.03 31.98 2amm n LYS 62 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2amm n LYS 63 N -2.04 -6.76 -4.33 1.97 5.02 0.11 -5.02 118.16 107.11 2amm n LYS 63 Ca 0.05 0.80 -0.23 0.00 -2.02 0.00 0.00 58.31 56.91 2amm n LYS 63 Cb 0.41 -5.77 -0.12 0.00 -0.02 0.00 0.00 35.03 29.54 2amm n LYS 63 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2amm s THR 64 N -3.38 1.88 0.00 -0.18 -4.23 -1.14 -4.94 115.64 103.65 2amm s THR 64 Ca 0.22 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 2amm s THR 64 Cb -0.10 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 2amm s THR 64 CO 0.75 -0.20 -0.21 -0.44 -0.54 0.00 0.00 174.62 173.97 2amm s SER 65 N -2.43 2.54 0.14 3.99 0.01 -1.26 0.14 113.70 116.83 2amm s SER 65 Ca 0.14 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.01 2amm s SER 65 Cb -0.07 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2amm s SER 65 CO 0.06 0.24 -0.11 0.72 0.41 0.00 0.00 173.24 174.56 2amm s PHE 66 N -0.60 1.32 0.01 2.43 -0.12 -0.11 -5.00 117.98 115.92 2amm s PHE 66 Ca 0.08 -0.69 0.02 0.00 -0.05 0.00 0.00 56.93 56.29 2amm s PHE 66 Cb -0.08 -0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2amm s PHE 66 CO 0.00 0.12 -0.07 0.71 -0.05 0.00 0.00 175.22 175.93 2amm s TYR 67 N -3.01 0.65 0.06 3.49 1.51 -1.26 -1.29 117.35 117.51 2amm s TYR 67 Ca 0.15 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 55.87 2amm s TYR 67 Cb 0.00 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.46 2amm s TYR 67 CO 0.02 -0.02 0.28 -0.80 -1.11 0.00 0.00 175.55 173.92 2amm s ASN 68 N -0.54 -0.08 -0.15 2.29 -0.87 -0.40 -2.22 114.94 112.98 2amm s ASN 68 Ca -0.00 -0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.00 2amm s ASN 68 Cb -0.05 0.36 0.02 0.00 -0.02 0.00 0.00 41.25 41.56 2amm s ASN 68 CO 0.00 -0.64 -0.13 -0.63 -2.57 0.00 0.00 177.10 173.12 2amm s ILE 69 N -2.84 1.53 0.05 0.60 1.01 -0.88 -0.29 121.20 120.37 2amm s ILE 69 Ca -0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 2amm s ILE 69 Cb 0.00 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 2amm s ILE 69 CO -0.05 0.44 0.42 -0.83 0.00 0.00 0.00 174.94 174.92 2amm s GLY 70 N 1.50 2.42 -0.06 6.18 0.00 -0.17 -0.54 107.32 116.65 2amm s GLY 70 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 2amm s GLY 70 CO -0.10 0.03 -0.00 1.85 0.00 0.00 0.00 173.10 174.87 2amm s GLU 71 N -1.52 0.55 0.33 2.90 2.12 0.22 -0.96 118.70 122.33 2amm s GLU 71 Ca 0.29 0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.63 2amm s GLU 71 Cb -0.15 -0.84 0.01 0.00 0.26 0.00 0.00 34.13 33.41 2amm s GLU 71 CO 0.16 -0.24 0.53 0.20 -0.54 0.00 0.00 175.26 175.37 2amm s GLY 72 N 1.65 1.03 -0.11 -1.50 0.00 -0.64 -1.66 107.32 106.08 2amm s GLY 72 Ca -0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 44.72 43.49 2amm s GLY 72 CO -0.04 -0.77 -0.01 0.54 0.00 0.00 0.00 173.10 172.82 2amm s LYS 73 N -3.17 3.27 0.33 2.90 -0.14 -1.24 -0.12 119.74 121.57 2amm s LYS 73 Ca 0.26 -0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 54.12 2amm s LYS 73 Cb -0.01 -2.85 -0.11 0.00 -1.68 0.00 0.00 37.83 33.18 2amm s LYS 73 CO 0.16 0.51 1.45 -0.51 -0.76 0.00 0.00 175.35 176.19 2amm s LEU 74 N -0.36 4.36 0.80 3.17 1.43 0.81 -3.94 118.68 124.96 2amm s LEU 74 Ca 0.07 2.87 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 2amm s LEU 74 Cb -0.12 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.52 2amm s LEU 74 CO 0.02 -0.76 1.10 -1.61 0.23 0.00 0.00 176.35 175.33 2amm s GLU 75 N -1.49 2.06 0.22 1.70 0.41 0.15 -4.93 118.70 116.82 2amm s GLU 75 Ca 0.54 0.61 0.23 0.00 -0.41 0.00 0.00 54.97 55.94 2amm s GLU 75 Cb -0.44 -1.92 0.93 0.00 -1.78 0.00 0.00 34.13 30.92 2amm s GLU 75 CO 0.55 -1.63 1.69 -1.13 -0.49 0.00 0.00 175.26 174.25 2amm n SER 76 N -3.43 0.60 0.16 -0.19 3.41 -1.26 -2.94 113.62 109.96 2amm n SER 76 Ca 0.07 0.64 0.05 0.00 -0.26 0.00 0.00 58.87 59.37 2amm n SER 76 Cb 0.56 -0.77 0.13 0.00 -0.26 0.00 0.00 64.21 63.87 2amm n SER 76 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2amm h SER 77 N 0.00 0.00 0.00 4.04 4.64 -1.93 -3.50 113.55 116.80 2amm h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2amm h SER 77 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2amm h SER 77 CO 0.00 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 2amm n GLY 78 N 0.97 0.52 3.51 -0.77 0.00 -1.15 -4.83 105.19 103.44 2amm n GLY 78 Ca 0.02 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 2amm n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2amm s LEU 79 N 0.00 4.53 -0.27 0.99 1.02 -1.26 -3.94 118.68 119.75 2amm s LEU 79 Ca 0.00 -2.59 -0.22 0.00 0.02 0.00 0.00 54.13 51.35 2amm s LEU 79 Cb 0.00 -2.47 0.08 0.00 0.02 0.00 0.00 46.19 43.81 2amm s LEU 79 CO 0.00 -0.98 0.72 -1.58 0.02 0.00 0.00 176.35 174.53 2amm s GLN 80 N 2.84 0.77 -0.10 1.70 0.74 -1.26 -1.10 119.66 123.24 2amm s GLN 80 Ca 0.45 1.06 -0.24 0.00 0.05 0.00 0.00 55.36 56.69 2amm s GLN 80 Cb -0.01 0.30 0.06 0.00 1.10 0.00 0.00 33.01 34.46 2amm s GLN 80 CO 0.01 -0.12 0.58 1.52 -0.55 0.00 0.00 175.29 176.73 2amm s TYR 81 N 0.86 -0.56 -0.22 1.67 -0.85 -0.36 -0.68 117.35 117.21 2amm s TYR 81 Ca -0.04 1.11 -0.08 0.00 -0.52 0.00 0.00 57.07 57.55 2amm s TYR 81 Cb -0.05 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.54 2amm s TYR 81 CO -0.07 -0.47 0.09 0.99 -1.52 0.00 0.00 175.55 174.56 2amm s THR 82 N -0.72 4.75 -0.12 -3.49 2.01 -1.25 -1.26 115.64 115.55 2amm s THR 82 Ca -0.08 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2amm s THR 82 Cb -0.02 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 2amm s THR 82 CO 0.06 0.39 -0.15 0.00 -0.69 0.00 0.00 174.62 174.23 2amm s ALA 83 N 0.95 2.54 0.76 7.40 0.00 0.14 -3.65 121.76 129.91 2amm s ALA 83 Ca 0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 2amm s ALA 83 Cb -0.14 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.89 2amm s ALA 83 CO 0.03 0.26 1.13 -1.59 0.00 0.00 0.00 175.76 175.59 2amm s LYS 84 N 0.34 2.36 -0.13 0.00 -2.85 -0.67 -0.65 119.74 118.15 2amm s LYS 84 Ca -0.12 0.32 -0.12 0.00 -1.00 0.00 0.00 55.97 55.05 2amm s LYS 84 Cb -0.16 -1.98 0.03 0.00 -2.06 0.00 0.00 37.83 33.67 2amm s LYS 84 CO 0.06 -1.36 0.36 1.52 0.10 0.00 0.00 175.35 176.03 2amm s TYR 85 N -3.43 -0.39 0.45 1.78 1.13 -1.26 -0.61 117.35 115.02 2amm s TYR 85 Ca 0.60 0.95 -0.16 0.00 -1.41 0.00 0.00 57.07 57.06 2amm s TYR 85 Cb -0.11 0.13 -0.08 0.00 -1.10 0.00 0.00 41.96 40.80 2amm s TYR 85 CO 0.51 -0.19 0.91 0.15 -2.51 0.00 0.00 175.55 174.42 2amm s LYS 86 N 0.20 3.98 -0.15 -3.49 1.02 0.30 -3.56 119.74 118.03 2amm s LYS 86 Ca -0.00 0.86 -0.04 0.00 0.02 0.00 0.00 55.97 56.81 2amm s LYS 86 Cb -0.03 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 2amm s LYS 86 CO 0.00 -0.13 -0.02 0.99 -0.92 0.00 0.00 175.35 175.28 2amm s THR 87 N -2.41 4.11 0.17 2.17 2.01 0.19 -2.08 115.64 119.79 2amm s THR 87 Ca 0.57 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2amm s THR 87 Cb -0.10 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2amm s THR 87 CO 0.26 0.50 0.05 0.68 -0.69 0.00 0.00 174.62 175.42 2amm s VAL 88 N 0.19 0.38 0.54 3.82 -7.23 -0.94 -0.18 120.40 116.97 2amm s VAL 88 Ca -0.00 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2amm s VAL 88 Cb -0.13 -2.20 0.11 0.00 0.56 0.00 0.00 36.38 34.71 2amm s VAL 88 CO 0.02 -0.36 0.75 -0.90 -0.31 0.00 0.00 175.10 174.30 2amm n ASP 89 N -0.22 1.00 0.26 4.85 5.68 -0.83 -4.06 116.55 123.23 2amm n ASP 89 Ca -0.04 -1.85 0.17 0.00 -0.50 0.00 0.00 54.79 52.57 2amm n ASP 89 Cb 0.64 -0.48 0.89 0.00 -1.14 0.00 0.00 41.12 41.03 2amm n ASP 89 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2amm h LYS 90 N 0.00 0.00 -0.47 0.11 2.10 -1.97 -0.93 116.57 115.42 2amm h LYS 90 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2amm h LYS 90 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2amm h LYS 90 CO 0.26 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.34 2amm n LYS 91 N -2.73 2.53 -1.12 0.07 4.76 -1.26 -4.73 118.16 115.68 2amm n LYS 91 Ca -0.02 -2.34 -0.04 0.00 -2.87 0.00 0.00 58.31 53.04 2amm n LYS 91 Cb 0.10 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.74 2amm n LYS 91 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2amm n LYS 92 N 1.50 -0.83 -2.24 1.97 5.02 -0.35 -5.00 118.16 118.23 2amm n LYS 92 Ca 0.21 0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 56.58 2amm n LYS 92 Cb 0.60 -4.28 -0.03 0.00 -0.02 0.00 0.00 35.03 31.31 2amm n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2amm s ALA 93 N -1.88 3.48 -0.21 7.82 0.00 -1.26 -4.78 121.76 124.93 2amm s ALA 93 Ca 0.00 1.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 2amm s ALA 93 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2amm s ALA 93 CO 0.00 -0.49 0.85 0.08 0.00 0.00 0.00 175.76 176.20 2amm s VAL 94 N -0.77 4.84 -0.14 0.00 1.01 -1.26 -1.96 120.40 122.12 2amm s VAL 94 Ca 0.50 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 64.02 2amm s VAL 94 Cb -0.37 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.62 2amm s VAL 94 CO 0.45 -0.04 0.33 0.18 0.00 0.00 0.00 175.10 176.02 2amm n LEU 95 N 5.73 2.48 -3.80 3.92 4.77 0.74 -4.91 117.00 125.93 2amm n LEU 95 Ca 0.06 0.26 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2amm n LEU 95 Cb 0.48 -1.09 -0.16 0.00 -2.33 0.00 0.00 43.42 40.32 2amm n LEU 95 CO 0.48 0.74 -0.36 -0.54 -1.33 0.00 0.00 177.39 176.38 2amm s LYS 96 N -2.52 0.12 0.90 3.23 1.02 -0.86 -4.99 119.74 116.64 2amm s LYS 96 Ca -0.24 0.12 -0.12 0.00 0.02 0.00 0.00 55.97 55.75 2amm s LYS 96 Cb 0.06 -0.33 0.13 0.00 -0.52 0.00 0.00 37.83 37.17 2amm s LYS 96 CO 0.73 -0.14 1.10 -1.21 -0.92 0.00 0.00 175.35 174.92 2amm s GLU 97 N 0.96 1.23 0.56 1.68 0.41 -1.26 -0.64 118.70 121.64 2amm s GLU 97 Ca -0.09 0.57 -0.20 0.00 -0.41 0.00 0.00 54.97 54.83 2amm s GLU 97 Cb -0.12 -1.83 -0.05 0.00 -1.78 0.00 0.00 34.13 30.35 2amm s GLU 97 CO -0.02 -2.20 1.16 0.00 -0.49 0.00 0.00 175.26 173.72 2amm n ALA 98 N -3.81 0.85 -4.25 5.21 0.00 -1.23 -4.68 120.51 112.59 2amm n ALA 98 Ca 0.06 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 2amm n ALA 98 Cb 0.57 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 2amm n ALA 98 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2amm n ASP 99 N -0.82 0.87 0.10 0.00 5.68 -1.26 -4.97 116.55 116.15 2amm n ASP 99 Ca 0.12 -2.79 0.12 0.00 -0.50 0.00 0.00 54.79 51.73 2amm n ASP 99 Cb 0.45 0.94 0.02 0.00 -1.14 0.00 0.00 41.12 41.39 2amm n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2amm h GLU 100 N 0.00 0.00 0.00 0.11 4.39 -2.00 -3.39 114.58 113.69 2amm h GLU 100 Ca -0.25 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.34 2amm h GLU 100 Cb 1.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 2amm h GLU 100 CO 0.39 0.00 -1.87 0.36 -1.16 0.00 0.00 179.01 176.73 2amm n LYS 101 N -2.63 0.65 -3.67 2.33 2.85 -1.26 -4.89 118.16 111.54 2amm n LYS 101 Ca 0.00 -0.05 -0.36 0.00 -1.05 0.00 0.00 58.31 56.85 2amm n LYS 101 Cb 0.54 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 33.22 2amm n LYS 101 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2amm s ASN 102 N -5.03 6.10 0.24 -5.58 0.01 -1.26 -0.76 114.94 108.66 2amm s ASN 102 Ca -0.07 0.11 -0.10 0.00 -0.71 0.00 0.00 52.86 52.09 2amm s ASN 102 Cb 0.11 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 2amm s ASN 102 CO 0.86 0.07 0.41 -0.94 -1.51 0.00 0.00 177.10 175.99 2amm s SER 103 N 1.04 -0.03 0.04 -1.22 1.04 -0.78 -4.40 113.70 109.39 2amm s SER 103 Ca 0.07 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.50 2amm s SER 103 Cb -0.13 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 2amm s SER 103 CO 0.04 -1.09 -0.08 -0.72 0.98 0.00 0.00 173.24 172.38 2amm s TYR 104 N -4.03 0.65 -0.22 5.02 1.13 0.18 -0.92 117.35 119.17 2amm s TYR 104 Ca 0.26 -0.46 -0.03 0.00 -1.41 0.00 0.00 57.07 55.43 2amm s TYR 104 Cb 0.01 -0.39 -0.00 0.00 -1.10 0.00 0.00 41.96 40.47 2amm s TYR 104 CO 0.10 -0.08 -0.07 0.99 -2.51 0.00 0.00 175.55 173.98 2amm s THR 105 N -1.25 3.14 -0.14 -3.49 2.01 0.59 0.29 115.64 116.78 2amm s THR 105 Ca -0.09 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 2amm s THR 105 Cb -0.09 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2amm s THR 105 CO 0.00 0.43 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.09 2amm s LEU 106 N 1.44 3.18 -0.12 4.42 0.20 -0.39 -1.05 118.68 126.37 2amm s LEU 106 Ca 0.05 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.76 2amm s LEU 106 Cb -0.14 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.88 2amm s LEU 106 CO -0.05 0.20 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.14 2amm s THR 107 N 0.19 1.69 -0.30 3.68 2.01 0.06 -1.23 115.64 121.75 2amm s THR 107 Ca -0.03 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2amm s THR 107 Cb -0.14 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 2amm s THR 107 CO 0.03 0.48 0.72 -0.69 -0.69 0.00 0.00 174.62 174.47 2amm s VAL 108 N 0.89 4.85 -0.12 3.82 1.01 -0.26 -0.52 120.40 130.07 2amm s VAL 108 Ca -0.08 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.15 2amm s VAL 108 Cb -0.15 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.93 2amm s VAL 108 CO -0.01 -0.19 0.50 0.18 0.00 0.00 0.00 175.10 175.57 2amm n LEU 109 N 6.06 0.44 -3.57 3.92 4.77 0.69 -1.78 117.00 127.51 2amm n LEU 109 Ca 0.02 0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 2amm n LEU 109 Cb 0.48 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.73 2amm n LEU 109 CO 0.48 0.26 0.31 -0.70 -1.33 0.00 0.00 177.39 176.42 2amm s GLU 110 N -2.84 1.00 -0.25 3.23 2.56 -0.92 -4.35 118.70 117.11 2amm s GLU 110 Ca -0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 54.97 54.74 2amm s GLU 110 Cb 0.09 0.46 0.08 0.00 2.00 0.00 0.00 34.13 36.76 2amm s GLU 110 CO 0.84 -0.33 0.61 0.00 -0.56 0.00 0.00 175.26 175.81 2amm s ALA 111 N -1.81 -1.68 0.00 6.30 0.00 -1.26 -1.28 121.76 122.02 2amm s ALA 111 Ca -0.09 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.06 2amm s ALA 111 Cb -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2amm s ALA 111 CO 0.04 -0.43 0.00 -0.40 0.00 0.00 0.00 175.76 174.97 2amm n ASP 112 N 4.47 0.93 0.26 0.00 5.68 0.30 -4.84 116.55 123.35 2amm n ASP 112 Ca -0.19 -0.38 0.13 0.00 -0.50 0.00 0.00 54.79 53.85 2amm n ASP 112 Cb 0.57 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.25 2amm n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2amm h ASP 113 N 0.00 0.00 0.00 -1.12 3.32 -2.01 -3.31 116.42 113.29 2amm h ASP 113 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2amm h ASP 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2amm h ASP 113 CO 0.00 0.12 -0.87 -1.54 -1.72 0.00 0.00 179.24 175.23 2amm n SER 114 N -3.53 3.83 -3.80 6.45 3.41 -1.26 -4.98 113.62 113.73 2amm n SER 114 Ca -0.01 -0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 2amm n SER 114 Cb 0.27 1.05 -0.06 0.00 -0.26 0.00 0.00 64.21 65.20 2amm n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2amm s SER 115 N -1.96 -0.01 0.07 4.04 0.01 -1.25 -2.81 113.70 111.80 2amm s SER 115 Ca -0.00 -0.58 -0.15 0.00 1.31 0.00 0.00 55.95 56.53 2amm s SER 115 Cb 0.01 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.67 2amm s SER 115 CO 0.05 -0.80 0.36 0.00 0.41 0.00 0.00 173.24 173.26 2amm s ALA 116 N -3.86 -0.81 -0.13 1.44 0.00 -0.20 -0.54 121.76 117.65 2amm s ALA 116 Ca 0.06 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.05 2amm s ALA 116 Cb 0.04 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.64 2amm s ALA 116 CO -0.09 -0.51 -0.16 -1.17 0.00 0.00 0.00 175.76 173.83 2amm s LEU 117 N -2.37 1.78 0.11 0.00 2.96 -0.41 -0.32 118.68 120.43 2amm s LEU 117 Ca -0.01 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2amm s LEU 117 Cb 0.01 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 2amm s LEU 117 CO -0.07 -0.01 -0.13 0.68 -1.32 0.00 0.00 176.35 175.51 2amm s VAL 118 N 1.21 1.18 -0.07 1.68 -7.23 -0.76 -0.23 120.40 116.18 2amm s VAL 118 Ca -0.01 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2amm s VAL 118 Cb -0.14 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2amm s VAL 118 CO -0.06 -0.44 -0.18 -2.28 -0.31 0.00 0.00 175.10 171.82 2amm s HIS 119 N -2.15 2.62 -0.13 2.82 2.46 0.32 -1.35 115.29 119.88 2amm s HIS 119 Ca 0.07 -0.48 0.02 0.00 0.47 0.00 0.00 55.06 55.13 2amm s HIS 119 Cb -0.05 -1.66 0.01 0.00 -0.13 0.00 0.00 32.58 30.75 2amm s HIS 119 CO 0.02 -0.06 -0.18 0.42 -2.47 0.00 0.00 174.74 172.47 2amm s ILE 120 N -0.27 1.78 -0.26 0.89 1.09 -0.19 -0.76 121.20 123.47 2amm s ILE 120 Ca 0.01 -0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 58.71 2amm s ILE 120 Cb -0.13 -1.60 0.01 0.00 -1.06 0.00 0.00 42.46 39.67 2amm s ILE 120 CO 0.03 0.49 0.01 0.00 -0.10 0.00 0.00 174.94 175.37 2amm s VAL 122 N 1.46 5.34 0.11 0.00 1.01 -0.50 -0.30 120.40 127.52 2amm s VAL 122 Ca 0.03 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.45 2amm s VAL 122 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2amm s VAL 122 CO -0.01 0.38 -0.10 -0.13 0.00 0.00 0.00 175.10 175.25 2amm s ARG 123 N 0.62 0.91 -0.15 2.72 0.52 -0.09 0.46 118.95 123.94 2amm s ARG 123 Ca 0.13 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.04 2amm s ARG 123 Cb -0.13 -0.54 0.07 0.00 0.52 0.00 0.00 34.95 34.87 2amm s ARG 123 CO 0.03 0.07 0.17 -2.00 0.02 0.00 0.00 175.30 173.59 2amm s GLU 124 N -3.15 0.10 7.60 3.54 2.12 -0.34 -1.87 118.70 126.70 2amm s GLU 124 Ca 0.09 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.72 2amm s GLU 124 Cb -0.01 -0.94 0.00 0.00 0.26 0.00 0.00 34.13 33.44 2amm s GLU 124 CO -0.00 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2amm n GLY 125 N 5.31 3.09 0.19 -1.50 0.00 0.06 -1.62 105.19 110.73 2amm n GLY 125 Ca -0.05 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2amm n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2amm n SER 126 N 5.10 0.57 -4.45 1.61 3.41 -1.26 -4.87 113.62 113.73 2amm n SER 126 Ca 0.00 -1.54 -0.33 0.00 -0.26 0.00 0.00 58.87 56.74 2amm n SER 126 Cb 0.00 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 2amm n SER 126 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2amm s LYS 127 N -1.93 2.93 -0.34 4.33 -0.14 -0.64 -5.08 119.74 118.88 2amm s LYS 127 Ca 0.28 -0.66 -0.22 0.00 -1.36 0.00 0.00 55.97 54.01 2amm s LYS 127 Cb 0.14 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 2amm s LYS 127 CO 0.22 0.45 0.71 -0.51 -0.76 0.00 0.00 175.35 175.47 2amm s ASP 128 N -0.27 6.52 -0.15 2.83 1.01 -1.26 -1.20 116.67 124.15 2amm s ASP 128 Ca 0.02 0.35 0.01 0.00 0.71 0.00 0.00 52.55 53.64 2amm s ASP 128 Cb -0.13 -2.36 -0.23 0.00 1.01 0.00 0.00 42.92 41.21 2amm s ASP 128 CO 0.03 -0.62 0.24 0.18 0.21 0.00 0.00 175.17 175.20 2amm n LEU 129 N 6.17 2.20 -3.83 1.23 4.77 0.17 -4.73 117.00 122.97 2amm n LEU 129 Ca 0.01 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2amm n LEU 129 Cb 0.48 -0.71 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 2amm n LEU 129 CO 0.50 0.77 -0.18 -0.83 -1.33 0.00 0.00 177.39 176.32 2amm s GLY 130 N -5.74 -0.07 -0.14 -0.72 0.00 -0.83 -4.98 107.32 94.85 2amm s GLY 130 Ca -0.22 0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.76 2amm s GLY 130 CO 0.74 0.19 -0.00 -0.35 0.00 0.00 0.00 173.10 173.67 2amm s ASP 131 N -0.36 2.35 -0.04 1.64 2.15 -1.26 -1.41 116.67 119.74 2amm s ASP 131 Ca -0.04 -0.48 -0.02 0.00 0.43 0.00 0.00 52.55 52.44 2amm s ASP 131 Cb -0.03 -0.62 0.03 0.00 -0.30 0.00 0.00 42.92 42.00 2amm s ASP 131 CO 0.01 -0.23 0.06 -0.69 -0.17 0.00 0.00 175.17 174.15 2amm s VAL 132 N 1.85 -0.11 0.03 1.11 1.01 -0.61 -2.78 120.40 120.89 2amm s VAL 132 Ca 0.02 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 2amm s VAL 132 Cb -0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 2amm s VAL 132 CO -0.07 0.15 0.51 -0.31 0.00 0.00 0.00 175.10 175.38 2amm s TYR 133 N 1.88 3.75 -0.04 5.22 2.02 -0.66 -1.02 117.35 128.49 2amm s TYR 133 Ca 0.01 1.14 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 2amm s TYR 133 Cb -0.12 -2.44 0.02 0.00 -0.40 0.00 0.00 41.96 39.02 2amm s TYR 133 CO -0.03 0.55 -0.03 0.95 -1.57 0.00 0.00 175.55 175.42 2amm s THR 134 N -0.87 0.42 0.01 -0.71 -4.23 -0.46 -0.93 115.64 108.87 2amm s THR 134 Ca 0.27 -0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.54 2amm s THR 134 Cb -0.18 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 2amm s THR 134 CO 0.16 0.20 0.60 -0.69 -0.54 0.00 0.00 174.62 174.35 2amm s VAL 135 N 1.03 4.88 0.10 2.29 1.01 0.11 -1.83 120.40 127.98 2amm s VAL 135 Ca -0.09 1.25 0.09 0.00 0.00 0.00 0.00 61.98 63.23 2amm s VAL 135 Cb -0.14 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2amm s VAL 135 CO -0.01 0.43 -0.24 -0.76 0.00 0.00 0.00 175.10 174.52 2amm s LEU 136 N -0.29 2.27 0.19 3.92 1.43 0.57 -0.72 118.68 126.05 2amm s LEU 136 Ca 0.31 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2amm s LEU 136 Cb -0.18 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2amm s LEU 136 CO 0.17 0.15 0.08 0.42 0.23 0.00 0.00 176.35 177.41 2amm s THR 137 N -1.02 0.25 -0.66 5.49 -4.23 -0.66 -1.04 115.64 113.77 2amm s THR 137 Ca 0.10 -1.97 0.25 0.00 -1.18 0.00 0.00 61.69 58.89 2amm s THR 137 Cb -0.10 -2.36 0.12 0.00 1.34 0.00 0.00 72.50 71.51 2amm s THR 137 CO 0.04 -0.19 1.46 0.45 -0.54 0.00 0.00 174.62 175.84 2amm h HIS 138 N 2.64 0.00 -3.86 3.99 3.86 -1.71 0.15 115.15 120.23 2amm h HIS 138 Ca -0.36 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.35 2amm h HIS 138 Cb 1.23 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.49 2amm h HIS 138 CO 0.42 0.00 -0.80 -0.65 0.86 0.00 0.00 177.93 177.76 2amm s GLN 139 N -3.15 1.04 0.14 2.45 1.11 -1.26 -4.64 119.66 115.34 2amm s GLN 139 Ca 0.07 -1.13 -0.35 0.00 0.01 0.00 0.00 55.36 53.97 2amm s GLN 139 Cb 0.13 -1.18 -0.15 0.00 -1.01 0.00 0.00 33.01 30.80 2amm s GLN 139 CO 0.68 0.26 1.49 1.17 0.01 0.00 0.00 175.29 178.91 2amm n LYS 140 N 1.03 1.79 -2.14 2.91 4.81 -1.26 -2.29 118.16 123.02 2amm n LYS 140 Ca -0.19 0.65 -0.12 0.00 -0.87 0.00 0.00 58.31 57.78 2amm n LYS 140 Cb 0.54 -2.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.21 2amm n LYS 140 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2amm n ASP 141 N 3.06 -3.54 -4.78 3.14 8.00 -1.26 -4.99 116.55 116.18 2amm n ASP 141 Ca 0.17 0.23 -0.34 0.00 0.71 0.00 0.00 54.79 55.57 2amm n ASP 141 Cb 0.25 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 2amm n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2amm s ALA 142 N -2.41 2.70 0.12 2.24 0.00 -0.97 -5.00 121.76 118.43 2amm s ALA 142 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 2amm s ALA 142 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 2amm s ALA 142 CO 0.00 -0.78 1.11 -1.21 0.00 0.00 0.00 175.76 174.88 2amm s GLU 143 N -3.59 4.55 0.45 0.00 0.41 -1.26 -4.90 118.70 114.35 2amm s GLU 143 Ca 0.69 1.68 -0.24 0.00 -0.41 0.00 0.00 54.97 56.69 2amm s GLU 143 Cb -0.20 -3.32 -0.08 0.00 -1.78 0.00 0.00 34.13 28.75 2amm s GLU 143 CO 0.30 -0.03 1.24 -2.14 -0.49 0.00 0.00 175.26 174.14 2amm s PRO 144 N 0.23 3.77 0.80 0.39 0.02 -1.26 -4.98 135.00 133.97 2amm s PRO 144 Ca 0.52 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 2amm s PRO 144 Cb -0.28 -2.53 0.08 0.00 0.02 0.00 0.00 34.50 31.78 2amm s PRO 144 CO 0.32 -0.60 1.16 -1.54 -0.33 0.00 0.00 177.00 176.02 2amm s SER 145 N -1.07 3.83 0.23 2.53 1.04 -1.26 -4.85 113.70 114.15 2amm s SER 145 Ca 0.62 2.19 -0.06 0.00 0.48 0.00 0.00 55.95 59.18 2amm s SER 145 Cb -0.34 -2.57 0.22 0.00 0.10 0.00 0.00 66.02 63.44 2amm s SER 145 CO 0.42 -2.50 1.81 0.00 0.98 0.00 0.00 173.24 173.95 2amm h ALA 146 N -0.99 1.11 -0.89 5.32 0.00 -1.99 -1.22 119.26 120.62 2amm h ALA 146 Ca -0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2amm h ALA 146 Cb 1.27 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2amm h ALA 146 CO 0.47 0.64 0.51 -0.22 0.00 0.00 0.00 179.25 180.66 2amm h LYS 147 N 1.12 1.22 -0.01 0.00 3.64 -1.99 -0.02 116.57 120.53 2amm h LYS 147 Ca 0.26 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 59.29 2amm h LYS 147 Cb 0.18 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2amm h LYS 147 CO -0.03 0.87 -0.94 0.28 -2.27 0.00 0.00 179.45 177.37 2amm h VAL 148 N 1.23 1.39 -0.94 2.00 2.07 -1.82 -2.01 116.25 118.17 2amm h VAL 148 Ca 0.32 -2.41 0.05 0.00 0.82 0.00 0.00 66.70 65.47 2amm h VAL 148 Cb -0.02 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 2amm h VAL 148 CO -0.06 0.72 0.61 0.11 0.02 0.00 0.00 177.57 178.98 2amm h LYS 149 N 0.25 1.10 -0.77 1.57 1.57 -0.74 -1.90 116.57 117.64 2amm h LYS 149 Ca -0.08 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2amm h LYS 149 Cb 1.57 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 2amm h LYS 149 CO 0.16 0.72 0.28 0.77 -0.57 0.00 0.00 179.45 180.82 2amm h SER 150 N 1.13 1.08 -0.47 0.86 0.02 -0.77 -2.72 113.55 112.67 2amm h SER 150 Ca 0.39 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2amm h SER 150 Cb 0.10 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2amm h SER 150 CO -0.13 0.97 0.26 0.00 -1.14 0.00 0.00 176.83 176.79 2amm h ALA 151 N 1.15 1.53 0.13 3.77 0.00 -0.72 0.32 119.26 125.43 2amm h ALA 151 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2amm h ALA 151 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2amm h ALA 151 CO -0.02 0.39 -0.19 0.28 0.00 0.00 0.00 179.25 179.71 2amm h VAL 152 N 0.69 0.57 -0.62 0.00 2.07 -1.05 0.15 116.25 118.05 2amm h VAL 152 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2amm h VAL 152 Cb 0.03 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2amm h VAL 152 CO -0.03 0.00 0.35 0.74 0.02 0.00 0.00 177.57 178.65 2amm h THR 153 N -0.38 1.19 -0.36 2.57 2.02 -1.32 -1.55 112.91 115.08 2amm h THR 153 Ca 0.02 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.81 2amm h THR 153 Cb 0.39 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2amm h THR 153 CO -0.09 0.21 0.25 1.56 0.37 0.00 0.00 175.52 177.81 2amm h GLN 154 N 0.84 0.13 0.00 6.66 4.20 0.03 -0.38 115.11 126.58 2amm h GLN 154 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2amm h GLN 154 Cb 0.02 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2amm h GLN 154 CO -0.04 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 2amm n ALA 155 N -2.57 2.31 -0.57 3.87 0.00 0.49 -4.88 120.51 119.16 2amm n ALA 155 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2amm n ALA 155 Cb 0.34 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2amm n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2amm n GLY 156 N 0.92 0.65 3.77 0.00 0.00 -0.15 -5.07 105.19 105.31 2amm n GLY 156 Ca 0.12 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 2amm n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2amm s LEU 157 N 0.00 3.19 -0.20 0.99 1.43 -0.74 -5.02 118.68 118.32 2amm s LEU 157 Ca 0.00 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 52.10 2amm s LEU 157 Cb 0.00 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2amm s LEU 157 CO 0.00 -0.56 -0.13 -1.10 0.23 0.00 0.00 176.35 174.79 2amm s GLN 158 N -3.95 3.16 0.50 1.70 -0.21 -1.26 -3.98 119.66 115.61 2amm s GLN 158 Ca 0.43 -0.74 0.19 0.00 0.02 0.00 0.00 55.36 55.25 2amm s GLN 158 Cb 0.02 -2.77 1.26 0.00 1.00 0.00 0.00 33.01 32.51 2amm s GLN 158 CO 0.24 -0.21 2.09 1.25 -2.12 0.00 0.00 175.29 176.54 2amm h LEU 159 N 8.02 0.00 -1.23 2.90 5.85 -1.94 -0.27 115.31 128.64 2amm h LEU 159 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2amm h LEU 159 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2amm h LEU 159 CO 0.62 0.09 0.00 0.77 -0.34 0.00 0.00 178.44 179.58 2amm h SER 160 N 0.00 0.00 1.18 1.25 4.64 -2.03 -2.21 113.55 116.39 2amm h SER 160 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2amm h SER 160 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2amm h SER 160 CO 0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 175.77 2amm n GLN 161 N -2.70 0.22 -1.59 4.77 6.02 -0.11 -4.85 117.38 119.13 2amm n GLN 161 Ca 0.01 0.14 -0.32 0.00 -0.01 0.00 0.00 57.00 56.82 2amm n GLN 161 Cb 0.25 -1.71 0.06 0.00 1.02 0.00 0.00 30.24 29.86 2amm n GLN 161 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2amm s PHE 162 N -3.10 2.75 -0.18 1.08 0.40 -0.83 -4.91 117.98 113.19 2amm s PHE 162 Ca 0.10 1.52 -0.21 0.00 -0.60 0.00 0.00 56.93 57.74 2amm s PHE 162 Cb 0.14 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 2amm s PHE 162 CO 0.63 -1.55 0.63 0.08 0.70 0.00 0.00 175.22 175.70 2amm s VAL 163 N -2.69 5.03 0.04 -0.44 1.01 0.24 -4.85 120.40 118.75 2amm s VAL 163 Ca 0.63 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 2amm s VAL 163 Cb -0.17 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2amm s VAL 163 CO 0.48 0.14 0.99 -0.83 0.00 0.00 0.00 175.10 175.88 2amm s GLY 164 N 1.10 2.92 0.17 4.51 0.00 -1.26 -1.05 107.32 113.71 2amm s GLY 164 Ca 0.30 0.57 0.27 0.00 0.00 0.00 0.00 44.72 45.85 2amm s GLY 164 CO 0.11 1.64 1.78 -1.30 0.00 0.00 0.00 173.10 175.33 2amm n THR 165 N 3.56 0.47 -0.32 0.90 -2.24 -0.25 -3.89 114.28 112.51 2amm n THR 165 Ca 0.05 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2amm n THR 165 Cb 0.50 -0.54 0.09 0.00 -2.10 0.00 0.00 70.33 68.28 2amm n THR 165 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2amm h LYS 166 N 0.00 1.14 0.00 -0.78 3.64 -1.91 -0.88 116.57 117.79 2amm h LYS 166 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2amm h LYS 166 Cb 0.69 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2amm h LYS 166 CO 0.00 0.76 0.00 -0.25 -2.27 0.00 0.00 179.45 177.69 2amm n ASP 167 N -4.48 0.00 -0.15 4.20 8.00 -1.25 -3.95 116.55 118.91 2amm n ASP 167 Ca 0.10 -1.39 0.13 0.00 0.71 0.00 0.00 54.79 54.33 2amm n ASP 167 Cb 0.02 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.50 2amm n ASP 167 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2amm n LEU 168 N -0.77 0.77 -2.48 0.64 4.77 -0.33 -4.94 117.00 114.65 2amm n LEU 168 Ca 0.13 -0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 2amm n LEU 168 Cb 0.06 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2amm n LEU 168 CO 0.09 0.15 0.14 0.61 -1.33 0.00 0.00 177.39 177.06 2amm n GLY 169 N 1.38 -0.01 3.64 -0.72 0.00 -1.25 -4.88 105.19 103.35 2amm n GLY 169 Ca 0.10 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2amm n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2amm s GLN 171 N -2.09 1.88 0.25 0.00 -1.52 -1.26 -5.15 119.66 111.78 2amm s GLN 171 Ca 0.62 -0.67 0.10 0.00 -1.95 0.00 0.00 55.36 53.46 2amm s GLN 171 Cb -0.54 -1.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 2amm s GLN 171 CO 0.57 0.29 -0.06 0.71 -0.25 0.00 0.00 175.29 176.55 2amm s TYR 172 N -0.07 2.60 -0.56 0.91 2.02 -1.26 -4.77 117.35 116.21 2amm s TYR 172 Ca -0.02 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2amm s TYR 172 Cb -0.11 -1.17 0.14 0.00 -0.40 0.00 0.00 41.96 40.42 2amm s TYR 172 CO 0.02 0.62 0.32 0.34 -1.57 0.00 0.00 175.55 175.28 2amm s ASP 173 N -3.48 4.40 0.46 2.29 -1.08 -1.26 -4.97 116.67 113.03 2amm s ASP 173 Ca 0.30 -3.22 0.30 0.00 -0.52 0.00 0.00 52.55 49.41 2amm s ASP 173 Cb -0.07 -1.61 1.10 0.00 -1.46 0.00 0.00 42.92 40.89 2amm s ASP 173 CO 0.18 -0.19 1.86 0.44 0.52 0.00 0.00 175.17 177.98 2amm h ASP 174 N 6.22 0.00 -0.33 -0.34 3.32 -1.99 -2.45 116.42 120.85 2amm h ASP 174 Ca -0.02 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 2amm h ASP 174 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2amm h ASP 174 CO 0.69 0.00 -0.33 1.56 -1.72 0.00 0.00 179.24 179.44 2amm h GLN 175 N 0.00 0.81 -0.69 3.56 7.50 -1.93 -2.39 115.11 121.96 2amm h GLN 175 Ca 0.00 -0.43 0.03 0.00 0.50 0.00 0.00 58.65 58.75 2amm h GLN 175 Cb 0.57 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.07 2amm h GLN 175 CO 0.00 1.06 0.43 0.35 -1.50 0.00 0.00 178.83 179.17 2amm h PHE 176 N 0.58 0.81 -0.00 2.96 3.57 -1.73 -2.69 116.94 120.44 2amm h PHE 176 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2amm h PHE 176 Cb 0.91 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2amm h PHE 176 CO 0.07 0.46 -0.26 0.25 -2.23 0.00 0.00 178.31 176.61 2amm n THR 177 N -4.67 0.00 -2.74 4.41 -2.24 -1.14 -4.75 114.28 103.15 2amm n THR 177 Ca 0.07 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 2amm n THR 177 Cb 0.08 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 2amm n THR 177 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2amm s SER 178 N -2.92 7.22 0.00 3.42 0.01 -0.90 -4.72 113.70 115.81 2amm s SER 178 Ca 0.15 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2amm s SER 178 Cb 0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2amm s SER 178 CO 0.60 -0.38 0.00 0.18 0.41 0.00 0.00 173.24 174.06