#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbt s LEU 1 N 0.00 4.36 -0.05 2.46 1.43 -1.26 -4.86 118.68 120.76 3gbt s LEU 1 Ca 0.00 2.39 -0.01 0.00 -1.03 0.00 0.00 54.13 55.48 3gbt s LEU 1 Cb 0.00 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 3gbt s LEU 1 CO 0.00 -0.77 0.01 -0.54 0.23 0.00 0.00 176.35 175.29 3gbt s LYS 2 N 1.79 2.93 0.05 1.70 -0.14 -1.26 -0.32 119.74 124.49 3gbt s LYS 2 Ca 0.68 -0.49 0.03 0.00 -1.36 0.00 0.00 55.97 54.84 3gbt s LYS 2 Cb -0.38 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 3gbt s LYS 2 CO 0.30 0.67 -0.10 0.71 -0.76 0.00 0.00 175.35 176.17 3gbt s TYR 3 N -1.00 0.89 -0.08 3.18 1.51 0.55 -2.69 117.35 119.71 3gbt s TYR 3 Ca 0.17 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3gbt s TYR 3 Cb -0.11 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.20 3gbt s TYR 3 CO 0.07 -0.03 -0.15 0.42 -1.11 0.00 0.00 175.55 174.75 3gbt s ILE 4 N -1.37 2.98 -0.19 2.71 1.01 0.04 -0.07 121.20 126.31 3gbt s ILE 4 Ca -0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 3gbt s ILE 4 Cb -0.10 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3gbt s ILE 4 CO 0.01 0.57 0.04 -0.63 0.00 0.00 0.00 174.94 174.93 3gbt s ILE 5 N -0.32 4.47 0.53 2.92 1.01 -0.48 0.21 121.20 129.54 3gbt s ILE 5 Ca 0.03 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.60 3gbt s ILE 5 Cb -0.13 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.39 3gbt s ILE 5 CO 0.03 0.44 0.56 0.61 0.00 0.00 0.00 174.94 176.58 3gbt n GLY 6 N 3.84 2.37 3.15 6.18 0.00 0.26 -0.29 105.19 120.71 3gbt n GLY 6 Ca -0.17 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.65 3gbt n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gbt s ASP 8 N -4.17 -0.31 -0.91 1.61 -1.08 0.75 -0.84 116.67 111.71 3gbt s ASP 8 Ca 0.42 0.11 -0.19 0.00 -0.52 0.00 0.00 52.55 52.37 3gbt s ASP 8 Cb -0.03 1.23 0.12 0.00 -1.46 0.00 0.00 42.92 42.78 3gbt s ASP 8 CO 0.27 -0.06 1.13 -0.69 0.52 0.00 0.00 175.17 176.34 3gbt s VAL 9 N 2.97 4.66 0.80 1.11 1.01 0.75 -0.44 120.40 131.25 3gbt s VAL 9 Ca 0.13 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 3gbt s VAL 9 Cb -0.05 -4.78 0.17 0.00 0.00 0.00 0.00 36.38 31.72 3gbt s VAL 9 CO -0.16 -1.52 1.09 0.61 0.00 0.00 0.00 175.10 175.11 3gbt n GLY 10 N 5.55 -0.30 0.21 4.51 0.00 0.12 -1.31 105.19 113.97 3gbt n GLY 10 Ca 0.22 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 3gbt n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gbt h THR 11 N -1.10 1.33 -0.00 2.61 2.02 -1.99 -3.32 112.91 112.45 3gbt h THR 11 Ca -0.36 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.01 3gbt h THR 11 Cb 1.14 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3gbt h THR 11 CO 0.32 0.56 -0.04 0.35 0.37 0.00 0.00 175.52 177.08 3gbt n THR 12 N -3.95 0.00 -3.52 3.16 -2.24 -1.26 -4.78 114.28 101.68 3gbt n THR 12 Ca -0.03 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 3gbt n THR 12 Cb 0.61 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 3gbt n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbt s ALA 13 N -0.67 -1.80 -0.14 6.98 0.00 -1.25 -0.61 121.76 124.28 3gbt s ALA 13 Ca 0.01 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 3gbt s ALA 13 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3gbt s ALA 13 CO 0.05 -0.45 0.12 0.99 0.00 0.00 0.00 175.76 176.47 3gbt s THR 14 N -1.77 5.35 -0.18 0.00 2.01 -0.47 0.14 115.64 120.71 3gbt s THR 14 Ca -0.05 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 3gbt s THR 14 Cb -0.00 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3gbt s THR 14 CO 0.02 0.56 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.92 3gbt s LYS 15 N -0.58 3.47 -0.13 4.92 1.02 0.42 -1.85 119.74 127.01 3gbt s LYS 15 Ca 0.12 -0.61 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 3gbt s LYS 15 Cb -0.12 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 3gbt s LYS 15 CO 0.02 0.02 -0.01 0.20 -0.92 0.00 0.00 175.35 174.67 3gbt s GLY 16 N 0.91 1.80 -0.06 -3.33 0.00 0.18 -0.18 107.32 106.66 3gbt s GLY 16 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3gbt s GLY 16 CO 0.01 -0.27 -0.10 0.14 0.00 0.00 0.00 173.10 172.88 3gbt s VAL 17 N -0.18 0.92 -0.30 1.40 1.01 -0.02 -0.46 120.40 122.77 3gbt s VAL 17 Ca 0.05 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 3gbt s VAL 17 Cb -0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3gbt s VAL 17 CO 0.02 0.31 0.19 -0.22 0.00 0.00 0.00 175.10 175.40 3gbt s LEU 18 N 0.72 4.16 0.08 3.92 2.96 0.96 -0.57 118.68 130.90 3gbt s LEU 18 Ca -0.13 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3gbt s LEU 18 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 3gbt s LEU 18 CO 0.02 -0.14 0.01 -0.31 -1.32 0.00 0.00 176.35 174.62 3gbt s TYR 19 N 1.71 3.04 0.73 5.38 1.51 0.13 -0.14 117.35 129.71 3gbt s TYR 19 Ca 0.06 0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 56.07 3gbt s TYR 19 Cb -0.17 -1.57 0.10 0.00 -0.11 0.00 0.00 41.96 40.22 3gbt s TYR 19 CO 0.09 0.49 1.03 0.16 -1.11 0.00 0.00 175.55 176.21 3gbt s ASP 20 N -2.24 4.44 0.00 2.29 1.47 -0.33 -0.78 116.67 121.52 3gbt s ASP 20 Ca 0.26 0.13 0.05 0.00 1.18 0.00 0.00 52.55 54.17 3gbt s ASP 20 Cb -0.12 -0.63 0.26 0.00 -0.34 0.00 0.00 42.92 42.09 3gbt s ASP 20 CO 0.18 -1.81 0.98 0.00 0.68 0.00 0.00 175.17 175.20 3gbt n ILE 21 N -2.97 0.87 1.08 2.11 0.13 -1.10 0.22 119.36 119.70 3gbt n ILE 21 Ca 0.11 0.22 0.12 0.00 -1.10 0.00 0.00 62.75 62.10 3gbt n ILE 21 Cb 0.60 -1.14 0.14 0.00 -0.84 0.00 0.00 39.64 38.40 3gbt n ILE 21 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 3gbt n ASN 22 N -1.26 1.36 0.00 9.51 3.02 -1.26 -4.96 115.26 121.67 3gbt n ASN 22 Ca 0.03 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3gbt n ASN 22 Cb 0.04 0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3gbt n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gbt n GLY 23 N 1.41 0.93 3.68 7.41 0.00 0.13 -5.04 105.19 113.71 3gbt n GLY 23 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3gbt n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gbt s LYS 24 N -0.45 4.32 0.00 1.61 2.20 -1.26 -4.76 119.74 121.41 3gbt s LYS 24 Ca 0.00 1.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 3gbt s LYS 24 Cb 0.00 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.64 3gbt s LYS 24 CO 0.00 -0.51 1.55 0.00 -0.36 0.00 0.00 175.35 176.02 3gbt s ALA 25 N 2.65 3.63 -0.04 3.13 0.00 -1.26 -1.19 121.76 128.67 3gbt s ALA 25 Ca 0.52 0.99 0.11 0.00 0.00 0.00 0.00 51.96 53.59 3gbt s ALA 25 Cb -0.21 -3.67 -0.17 0.00 0.00 0.00 0.00 23.12 19.07 3gbt s ALA 25 CO 0.17 -1.11 0.19 1.33 0.00 0.00 0.00 175.76 176.34 3gbt n VAL 26 N 4.91 0.21 -3.46 0.00 0.24 0.80 -4.96 118.33 116.06 3gbt n VAL 26 Ca 0.15 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3gbt n VAL 26 Cb 0.42 -0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 3gbt n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gbt s ALA 27 N -2.65 -1.49 -0.18 2.33 0.00 -1.14 -5.01 121.76 113.61 3gbt s ALA 27 Ca -0.05 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 3gbt s ALA 27 Cb 0.06 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.09 3gbt s ALA 27 CO 0.47 -0.76 0.49 -1.54 0.00 0.00 0.00 175.76 174.42 3gbt s SER 28 N -2.76 -0.51 -0.01 0.00 1.04 -1.26 -0.03 113.70 110.16 3gbt s SER 28 Ca 0.02 0.97 0.01 0.00 0.48 0.00 0.00 55.95 57.43 3gbt s SER 28 Cb -0.01 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.10 3gbt s SER 28 CO -0.12 -0.19 -0.04 -0.69 0.98 0.00 0.00 173.24 173.18 3gbt s VAL 29 N 0.19 0.37 0.04 5.02 1.01 0.40 -4.99 120.40 122.43 3gbt s VAL 29 Ca -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3gbt s VAL 29 Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3gbt s VAL 29 CO 0.01 0.13 -0.09 -0.94 0.00 0.00 0.00 175.10 174.20 3gbt s SER 30 N 0.18 1.05 0.04 3.32 1.04 -1.26 0.51 113.70 118.58 3gbt s SER 30 Ca -0.02 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 55.98 3gbt s SER 30 Cb -0.05 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 3gbt s SER 30 CO -0.00 -0.10 -0.11 -0.54 0.98 0.00 0.00 173.24 173.47 3gbt s LYS 31 N -1.28 0.70 0.44 4.02 1.02 -0.77 -5.00 119.74 118.88 3gbt s LYS 31 Ca -0.05 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.28 3gbt s LYS 31 Cb -0.08 -0.62 0.00 0.00 -0.52 0.00 0.00 37.83 36.61 3gbt s LYS 31 CO 0.01 0.14 0.47 0.20 -0.92 0.00 0.00 175.35 175.25 3gbt s GLY 32 N -1.32 2.07 0.07 -3.33 0.00 -1.26 -1.37 107.32 102.18 3gbt s GLY 32 Ca -0.03 -1.80 -0.07 0.00 0.00 0.00 0.00 44.72 42.82 3gbt s GLY 32 CO 0.01 -1.65 0.13 -2.52 0.00 0.00 0.00 173.10 169.07 3gbt s TYR 33 N -2.47 0.24 0.30 1.90 1.13 0.22 -4.92 117.35 113.74 3gbt s TYR 33 Ca 0.50 -0.68 -0.28 0.00 -1.41 0.00 0.00 57.07 55.21 3gbt s TYR 33 Cb -0.05 -0.14 -0.09 0.00 -1.10 0.00 0.00 41.96 40.57 3gbt s TYR 33 CO 0.30 -0.49 0.98 -2.14 -2.51 0.00 0.00 175.55 171.69 3gbt s PRO 34 N -3.74 4.64 -0.33 -3.49 0.02 -1.26 -4.71 135.00 126.13 3gbt s PRO 34 Ca 0.04 1.48 -0.16 0.00 0.02 0.00 0.00 61.00 62.38 3gbt s PRO 34 Cb 0.05 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.56 3gbt s PRO 34 CO -0.10 0.31 0.43 -1.17 -0.33 0.00 0.00 177.00 176.13 3gbt s LEU 35 N -1.72 4.35 -0.35 -5.54 2.96 -1.26 -4.64 118.68 112.47 3gbt s LEU 35 Ca 0.47 -0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 54.03 3gbt s LEU 35 Cb -0.24 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 3gbt s LEU 35 CO 0.30 -0.38 2.07 -0.63 -1.32 0.00 0.00 176.35 176.39 3gbt s ILE 36 N 2.18 3.21 -0.35 6.68 1.01 0.99 -4.83 121.20 130.09 3gbt s ILE 36 Ca 0.15 0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.08 3gbt s ILE 36 Cb -0.16 -3.33 0.45 0.00 0.01 0.00 0.00 42.46 39.42 3gbt s ILE 36 CO 0.12 -0.25 1.13 0.00 0.00 0.00 0.00 174.94 175.94 3gbt n GLN 37 N 8.74 3.20 -0.28 2.79 6.02 -1.26 -1.54 117.38 135.05 3gbt n GLN 37 Ca 0.28 -4.20 -0.07 0.00 -0.01 0.00 0.00 57.00 53.00 3gbt n GLN 37 Cb 0.48 -2.14 -0.07 0.00 1.02 0.00 0.00 30.24 29.54 3gbt n GLN 37 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3gbt n THR 38 N -0.55 -0.45 -4.26 5.09 -2.24 -1.26 -4.61 114.28 105.99 3gbt n THR 38 Ca 0.36 1.91 -0.15 0.00 -2.27 0.00 0.00 64.05 63.90 3gbt n THR 38 Cb 0.81 -2.39 -0.10 0.00 -2.10 0.00 0.00 70.33 66.56 3gbt n THR 38 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3gbt s LYS 39 N -4.89 1.09 -0.01 -0.78 2.20 -1.26 -5.07 119.74 111.03 3gbt s LYS 39 Ca -0.08 -1.47 -0.21 0.00 -0.36 0.00 0.00 55.97 53.85 3gbt s LYS 39 Cb 0.07 -0.67 -0.10 0.00 -1.51 0.00 0.00 37.83 35.62 3gbt s LYS 39 CO 0.41 0.08 0.55 1.33 -0.36 0.00 0.00 175.35 177.37 3gbt n VAL 40 N -0.22 0.00 0.00 4.02 0.24 -1.26 -1.19 118.33 119.92 3gbt n VAL 40 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3gbt n VAL 40 Cb 0.61 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 3gbt n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gbt n GLY 41 N 0.80 2.93 3.71 7.63 0.00 -1.26 -4.94 105.19 114.06 3gbt n GLY 41 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3gbt n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gbt s GLN 42 N -0.23 4.52 -0.39 1.61 0.74 -0.33 0.15 119.66 125.73 3gbt s GLN 42 Ca 0.00 1.47 0.04 0.00 0.05 0.00 0.00 55.36 56.92 3gbt s GLN 42 Cb 0.00 -3.45 0.16 0.00 1.10 0.00 0.00 33.01 30.82 3gbt s GLN 42 CO 0.00 -0.11 0.40 0.00 -0.55 0.00 0.00 175.29 175.03 3gbt s ALA 43 N 1.13 -0.36 0.52 1.58 0.00 -1.24 -4.28 121.76 119.11 3gbt s ALA 43 Ca 0.53 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3gbt s ALA 43 Cb -0.22 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 3gbt s ALA 43 CO 0.27 -2.14 0.06 -1.21 0.00 0.00 0.00 175.76 172.74 3gbt s GLU 44 N 1.25 2.22 -0.07 0.00 2.02 -0.59 -1.40 118.70 122.11 3gbt s GLU 44 Ca 0.19 -2.37 -0.30 0.00 0.02 0.00 0.00 54.97 52.51 3gbt s GLU 44 Cb -0.13 -1.60 0.09 0.00 0.10 0.00 0.00 34.13 32.59 3gbt s GLU 44 CO -0.04 -0.42 0.81 -1.83 0.02 0.00 0.00 175.26 173.80 3gbt s GLU 45 N -3.95 0.89 -0.41 1.61 -1.05 -0.10 -0.01 118.70 115.69 3gbt s GLU 45 Ca 0.08 0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 54.74 3gbt s GLU 45 Cb 0.01 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 3gbt s GLU 45 CO 0.05 -0.29 1.12 0.34 0.95 0.00 0.00 175.26 177.43 3gbt s ASP 46 N -1.36 6.75 0.39 0.83 -1.08 -1.26 0.09 116.67 121.03 3gbt s ASP 46 Ca -0.06 0.74 0.14 0.00 -0.52 0.00 0.00 52.55 52.85 3gbt s ASP 46 Cb -0.00 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.90 3gbt s ASP 46 CO 0.04 -1.10 1.85 -0.65 0.52 0.00 0.00 175.17 175.83 3gbt h PRO 47 N 8.80 0.49 -0.41 4.34 0.11 -1.93 -1.04 132.00 142.36 3gbt h PRO 47 Ca -0.22 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 3gbt h PRO 47 Cb 1.06 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3gbt h PRO 47 CO 1.09 0.32 -0.10 0.87 -0.21 0.00 0.00 178.00 179.97 3gbt h LYS 48 N 0.50 0.80 -0.44 1.05 1.57 -1.98 0.11 116.57 118.18 3gbt h LYS 48 Ca 0.47 -0.30 0.08 0.00 -1.87 0.00 0.00 60.65 59.03 3gbt h LYS 48 Cb 1.02 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 3gbt h LYS 48 CO -0.20 0.92 0.01 -0.07 -0.57 0.00 0.00 179.45 179.54 3gbt h LEU 49 N 0.62 -0.16 -0.31 2.94 -0.00 -1.64 0.52 115.31 117.27 3gbt h LEU 49 Ca 0.10 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 58.05 3gbt h LEU 49 Cb 0.63 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 3gbt h LEU 49 CO 0.04 -0.05 0.05 0.40 -0.00 0.00 0.00 178.44 178.88 3gbt h ILE 50 N 0.12 1.24 -0.42 1.22 2.04 -0.89 -1.93 117.51 118.89 3gbt h ILE 50 Ca 0.22 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3gbt h ILE 50 Cb 0.31 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3gbt h ILE 50 CO -0.36 0.27 0.11 0.15 0.00 0.00 0.00 178.15 178.32 3gbt h PHE 51 N 0.34 0.63 -0.17 1.37 3.04 -0.47 -1.02 116.94 120.66 3gbt h PHE 51 Ca 0.09 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 3gbt h PHE 51 Cb 0.35 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 3gbt h PHE 51 CO 0.02 0.53 0.05 -0.44 -2.02 0.00 0.00 178.31 176.46 3gbt h ASP 52 N 0.61 0.25 -0.39 0.41 3.45 -0.51 -0.58 116.42 119.65 3gbt h ASP 52 Ca 0.14 -0.22 0.07 0.00 0.43 0.00 0.00 57.03 57.46 3gbt h ASP 52 Cb 0.22 -0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 38.85 3gbt h ASP 52 CO -0.01 0.40 -0.02 0.00 -1.57 0.00 0.00 179.24 178.05 3gbt h ALA 53 N 0.86 0.34 -0.26 3.45 0.00 -1.09 -1.48 119.26 121.09 3gbt h ALA 53 Ca 0.05 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3gbt h ALA 53 Cb 0.24 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3gbt h ALA 53 CO -0.00 -0.40 -0.19 0.28 0.00 0.00 0.00 179.25 178.93 3gbt h VAL 54 N 0.09 0.47 -0.60 0.00 2.07 -0.52 0.31 116.25 118.06 3gbt h VAL 54 Ca 0.19 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 3gbt h VAL 54 Cb 0.28 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3gbt h VAL 54 CO -0.34 0.00 0.36 1.56 0.02 0.00 0.00 177.57 179.17 3gbt h GLN 55 N -0.18 0.68 -0.67 1.57 4.20 -0.86 -1.86 115.11 117.99 3gbt h GLN 55 Ca 0.14 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3gbt h GLN 55 Cb 0.40 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3gbt h GLN 55 CO -0.37 0.45 0.22 1.49 -0.67 0.00 0.00 178.83 179.95 3gbt h GLU 56 N 0.70 1.03 0.20 1.46 4.81 -0.17 -0.88 114.58 121.73 3gbt h GLU 56 Ca 0.25 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3gbt h GLU 56 Cb 0.06 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3gbt h GLU 56 CO -0.12 0.89 -0.10 0.82 -0.73 0.00 0.00 179.01 179.77 3gbt h ILE 57 N 0.97 0.88 -0.27 2.32 2.04 -0.17 -1.58 117.51 121.69 3gbt h ILE 57 Ca 0.22 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3gbt h ILE 57 Cb 0.28 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3gbt h ILE 57 CO -0.01 0.10 0.01 0.40 0.00 0.00 0.00 178.15 178.65 3gbt h ILE 58 N -0.49 0.82 -0.73 -0.67 2.04 -1.22 -1.18 117.51 116.08 3gbt h ILE 58 Ca -0.03 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3gbt h ILE 58 Cb 0.37 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3gbt h ILE 58 CO 0.05 0.02 0.47 0.15 0.00 0.00 0.00 178.15 178.84 3gbt h PHE 59 N 0.10 0.89 -0.13 1.37 3.57 -1.14 -0.01 116.94 121.59 3gbt h PHE 59 Ca 0.13 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3gbt h PHE 59 Cb 0.16 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3gbt h PHE 59 CO -0.20 0.53 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.74 3gbt h ASP 60 N 0.94 0.23 -0.27 0.41 3.32 -0.83 -0.58 116.42 119.64 3gbt h ASP 60 Ca 0.28 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 3gbt h ASP 60 Cb -0.04 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3gbt h ASP 60 CO -0.09 0.48 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.45 3gbt h LEU 61 N 0.21 0.80 -1.11 1.55 3.38 -0.34 -3.15 115.31 116.66 3gbt h LEU 61 Ca 0.04 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 3gbt h LEU 61 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3gbt h LEU 61 CO 0.04 1.16 -0.32 0.71 0.09 0.00 0.00 178.44 180.12 3gbt h THR 62 N 0.47 1.27 0.00 0.22 1.35 -0.49 -2.28 112.91 113.45 3gbt h THR 62 Ca 0.03 -1.27 -0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3gbt h THR 62 Cb 0.98 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3gbt h THR 62 CO 0.09 0.38 -0.01 1.56 -0.25 0.00 0.00 175.52 177.29 3gbt h GLN 63 N 0.20 0.00 0.00 4.72 1.08 -1.08 -2.96 115.11 117.07 3gbt h GLN 63 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3gbt h GLN 63 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3gbt h GLN 63 CO 0.05 0.01 0.00 0.87 -0.95 0.00 0.00 178.83 178.81 3gbt h LYS 64 N 0.00 0.00 -5.22 1.46 1.57 -1.38 -3.46 116.57 109.54 3gbt h LYS 64 Ca -0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 3gbt h LYS 64 Cb 0.02 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.19 3gbt h LYS 64 CO 0.00 0.00 -0.63 0.96 -0.57 0.00 0.00 179.45 179.21 3gbt s ILE 65 N -3.19 1.20 -0.40 1.86 -5.25 -1.12 -5.11 121.20 109.20 3gbt s ILE 65 Ca 0.08 -2.03 0.04 0.00 -0.99 0.00 0.00 60.65 57.75 3gbt s ILE 65 Cb 0.09 -2.64 0.11 0.00 2.95 0.00 0.00 42.46 42.97 3gbt s ILE 65 CO 0.60 -0.12 0.13 -0.62 -1.79 0.00 0.00 174.94 173.14 3gbt s ASP 66 N -3.43 4.52 0.00 4.36 2.15 -1.26 -4.95 116.67 118.05 3gbt s ASP 66 Ca 0.34 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.91 3gbt s ASP 66 Cb 0.07 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 41.14 3gbt s ASP 66 CO 0.13 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 3gbt n GLY 67 N 3.90 0.52 3.81 2.66 0.00 -1.26 -4.63 105.19 110.19 3gbt n GLY 67 Ca 0.04 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 3gbt n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gbt s LYS 68 N -0.82 3.59 -0.68 1.61 1.02 0.57 -4.90 119.74 120.12 3gbt s LYS 68 Ca 0.00 -0.20 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 3gbt s LYS 68 Cb 0.00 -3.19 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3gbt s LYS 68 CO 0.00 0.63 1.16 0.42 -0.92 0.00 0.00 175.35 176.64 3gbt s ILE 69 N -0.61 3.97 0.20 2.17 -1.09 -1.26 -0.33 121.20 124.25 3gbt s ILE 69 Ca 0.12 0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 58.76 3gbt s ILE 69 Cb -0.12 -4.80 0.07 0.00 -1.58 0.00 0.00 42.46 36.03 3gbt s ILE 69 CO 0.02 -1.62 1.66 0.00 -1.23 0.00 0.00 174.94 173.78 3gbt h ALA 70 N 9.78 0.89 -2.38 9.38 0.00 -0.84 -3.39 119.26 132.70 3gbt h ALA 70 Ca -0.28 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 3gbt h ALA 70 Cb 1.06 -0.21 -0.18 0.00 0.00 0.00 0.00 17.79 18.47 3gbt h ALA 70 CO 1.22 0.65 0.01 0.00 0.00 0.00 0.00 179.25 181.13 3gbt s ALA 71 N -4.94 -1.31 -0.18 0.00 0.00 -1.24 -1.88 121.76 112.21 3gbt s ALA 71 Ca -0.11 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.57 3gbt s ALA 71 Cb 0.14 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.50 3gbt s ALA 71 CO 0.85 -0.42 -0.19 0.42 0.00 0.00 0.00 175.76 176.41 3gbt s ILE 72 N -1.93 2.17 0.29 0.00 1.01 0.06 -1.38 121.20 121.41 3gbt s ILE 72 Ca -0.08 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 59.76 3gbt s ILE 72 Cb -0.01 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 3gbt s ILE 72 CO 0.02 0.53 -0.07 -0.55 0.00 0.00 0.00 174.94 174.87 3gbt s SER 73 N 1.23 4.13 -0.07 3.58 0.15 0.61 -0.93 113.70 122.39 3gbt s SER 73 Ca 0.03 -0.85 0.01 0.00 0.70 0.00 0.00 55.95 55.84 3gbt s SER 73 Cb -0.13 -0.59 0.02 0.00 -1.71 0.00 0.00 66.02 63.60 3gbt s SER 73 CO -0.11 -0.03 -0.09 0.26 1.20 0.00 0.00 173.24 174.48 3gbt s TRP 74 N -2.43 1.28 -0.05 3.44 0.52 -1.25 -4.41 118.94 116.05 3gbt s TRP 74 Ca 0.32 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.98 3gbt s TRP 74 Cb -0.05 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 3gbt s TRP 74 CO 0.18 -0.33 -0.22 0.45 0.02 0.00 0.00 176.95 177.06 3gbt s SER 75 N 1.07 3.38 -0.03 2.95 0.15 -1.26 -1.16 113.70 118.79 3gbt s SER 75 Ca -0.08 -0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 3gbt s SER 75 Cb -0.14 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.46 3gbt s SER 75 CO -0.01 0.29 0.17 -0.55 1.20 0.00 0.00 173.24 174.34 3gbt s SER 76 N -0.43 -0.08 0.06 5.45 0.15 -1.06 -0.18 113.70 117.60 3gbt s SER 76 Ca 0.05 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.76 3gbt s SER 76 Cb -0.12 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3gbt s SER 76 CO 0.01 -0.24 0.00 0.00 1.20 0.00 0.00 173.24 174.22 3gbt n GLN 77 N 2.12 2.12 -0.12 5.44 10.64 -0.42 -0.39 117.38 136.77 3gbt n GLN 77 Ca -0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 3gbt n GLN 77 Cb 0.57 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.95 3gbt n GLN 77 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3gbt n HIS 79 N -0.72 0.00 -2.25 2.61 8.25 -1.25 -4.74 115.22 117.12 3gbt n HIS 79 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3gbt n HIS 79 Cb 0.00 -0.72 -0.00 0.00 1.12 0.00 0.00 29.99 30.39 3gbt n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3gbt s SER 80 N -0.39 5.92 -0.05 0.41 1.04 -1.26 -4.16 113.70 115.22 3gbt s SER 80 Ca 0.00 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.69 3gbt s SER 80 Cb 0.00 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.55 3gbt s SER 80 CO 0.00 -1.09 -0.02 -0.22 0.98 0.00 0.00 173.24 172.89 3gbt s LEU 81 N -3.42 1.08 -0.02 2.42 2.96 -1.01 -4.29 118.68 116.41 3gbt s LEU 81 Ca 0.68 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3gbt s LEU 81 Cb -0.27 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.01 3gbt s LEU 81 CO 0.31 -0.10 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.54 3gbt s ILE 82 N 1.26 0.57 -0.15 6.68 1.01 0.37 -1.57 121.20 129.37 3gbt s ILE 82 Ca -0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 3gbt s ILE 82 Cb -0.14 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 3gbt s ILE 82 CO -0.02 0.18 0.05 -0.83 0.00 0.00 0.00 174.94 174.32 3gbt s GLY 83 N 0.11 1.92 -0.00 6.18 0.00 -1.26 0.22 107.32 114.49 3gbt s GLY 83 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.99 3gbt s GLY 83 CO -0.00 -0.18 -0.05 1.08 0.00 0.00 0.00 173.10 173.94 3gbt s LEU 84 N -0.18 3.24 0.80 0.66 1.43 0.11 -0.52 118.68 124.22 3gbt s LEU 84 Ca 0.07 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 3gbt s LEU 84 Cb -0.12 -1.85 0.14 0.00 0.03 0.00 0.00 46.19 44.40 3gbt s LEU 84 CO 0.01 0.29 1.10 -0.83 0.23 0.00 0.00 176.35 177.15 3gbt s GLY 85 N -1.41 1.76 0.56 -3.19 0.00 0.91 0.17 107.32 106.13 3gbt s GLY 85 Ca 0.17 -1.48 0.26 0.00 0.00 0.00 0.00 44.72 43.67 3gbt s GLY 85 CO 0.08 -0.86 2.08 1.48 0.00 0.00 0.00 173.10 175.87 3gbt h SER 86 N -0.89 0.00 -0.25 1.64 4.64 -1.89 0.38 113.55 117.18 3gbt h SER 86 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3gbt h SER 86 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gbt h SER 86 CO 0.41 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.84 3gbt n ASP 87 N -4.06 1.50 -0.97 4.97 9.92 -1.26 -4.87 116.55 121.77 3gbt n ASP 87 Ca 0.03 -1.92 -0.13 0.00 -0.53 0.00 0.00 54.79 52.25 3gbt n ASP 87 Cb 0.37 -0.17 -0.05 0.00 -0.64 0.00 0.00 41.12 40.63 3gbt n ASP 87 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3gbt n ASP 88 N 0.29 -4.99 -4.88 -2.24 8.00 0.13 -4.99 116.55 107.87 3gbt n ASP 88 Ca 0.11 0.31 -0.30 0.00 0.71 0.00 0.00 54.79 55.62 3gbt n ASP 88 Cb 0.25 -3.60 -0.04 0.00 -0.02 0.00 0.00 41.12 37.71 3gbt n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gbt s GLU 89 N -2.97 3.75 -0.24 -1.24 0.41 -1.25 -4.65 118.70 112.50 3gbt s GLU 89 Ca 0.00 0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 54.51 3gbt s GLU 89 Cb 0.00 -2.58 -0.03 0.00 -1.78 0.00 0.00 34.13 29.74 3gbt s GLU 89 CO 0.00 0.19 1.84 -0.51 -0.49 0.00 0.00 175.26 176.29 3gbt s LEU 90 N -3.32 3.70 0.11 1.80 1.43 -1.26 -0.06 118.68 121.07 3gbt s LEU 90 Ca 0.47 1.65 0.12 0.00 -1.03 0.00 0.00 54.13 55.34 3gbt s LEU 90 Cb -0.11 -3.53 -0.14 0.00 0.03 0.00 0.00 46.19 42.45 3gbt s LEU 90 CO 0.26 -1.55 1.10 -0.07 0.23 0.00 0.00 176.35 176.32 3gbt h LEU 91 N 13.04 0.00 -8.77 1.79 3.38 -1.13 -3.47 115.31 120.14 3gbt h LEU 91 Ca -0.37 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.29 3gbt h LEU 91 Cb 1.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 3gbt h LEU 91 CO 1.00 0.82 -0.63 0.42 0.09 0.00 0.00 178.44 180.13 3gbt s THR 92 N -2.78 0.57 1.02 0.22 -4.23 -1.22 -4.96 115.64 104.27 3gbt s THR 92 Ca -0.00 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 3gbt s THR 92 Cb 0.09 -2.42 0.24 0.00 1.34 0.00 0.00 72.50 71.75 3gbt s THR 92 CO 0.80 -0.20 1.30 0.59 -0.54 0.00 0.00 174.62 176.58 3gbt n ASN 93 N -0.36 -0.20 -4.62 3.99 3.02 -1.26 -4.63 115.26 111.19 3gbt n ASN 93 Ca -0.03 -1.44 -0.43 0.00 -0.03 0.00 0.00 54.58 52.66 3gbt n ASN 93 Cb 0.65 -1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 3gbt n ASN 93 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3gbt s SER 94 N -5.69 6.70 -0.68 6.41 0.15 0.11 -4.55 113.70 116.15 3gbt s SER 94 Ca 0.75 0.83 -0.24 0.00 0.70 0.00 0.00 55.95 57.99 3gbt s SER 94 Cb -0.03 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 3gbt s SER 94 CO 0.53 -1.13 1.05 -0.63 1.20 0.00 0.00 173.24 174.26 3gbt s ILE 95 N 4.32 4.16 1.13 6.45 1.01 -0.61 -0.92 121.20 136.73 3gbt s ILE 95 Ca 0.50 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.85 3gbt s ILE 95 Cb -0.11 -4.75 0.26 0.00 0.01 0.00 0.00 42.46 37.87 3gbt s ILE 95 CO 0.25 -1.57 1.05 0.42 0.00 0.00 0.00 174.94 175.10 3gbt s THR 96 N 4.50 1.92 0.59 2.92 -4.23 -0.49 -2.39 115.64 118.47 3gbt s THR 96 Ca 0.26 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.06 3gbt s THR 96 Cb -0.14 -2.28 0.36 0.00 1.34 0.00 0.00 72.50 71.78 3gbt s THR 96 CO 0.11 0.00 2.17 4.11 -0.54 0.00 0.00 174.62 180.47 3gbt h TRP 97 N -2.41 0.00 0.00 3.99 5.08 -1.86 -2.67 115.95 118.09 3gbt h TRP 97 Ca -0.57 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.40 3gbt h TRP 97 Cb 1.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.49 3gbt h TRP 97 CO -0.13 0.00 -0.20 0.00 -1.28 0.00 0.00 178.44 176.83 3gbt n ALA 98 N -2.32 2.62 -1.95 0.11 0.00 -1.26 -4.82 120.51 112.89 3gbt n ALA 98 Ca -0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 3gbt n ALA 98 Cb 0.22 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 3gbt n ALA 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gbt s ASP 99 N -3.73 6.88 0.00 0.00 2.15 -1.01 -4.65 116.67 116.31 3gbt s ASP 99 Ca 0.11 2.45 0.14 0.00 0.43 0.00 0.00 52.55 55.69 3gbt s ASP 99 Cb 0.16 -2.62 0.33 0.00 -0.30 0.00 0.00 42.92 40.49 3gbt s ASP 99 CO 0.62 -0.53 1.24 -3.20 -0.17 0.00 0.00 175.17 173.13 3gbt n ASN 100 N 2.32 2.96 -0.39 -0.34 5.15 0.39 -4.66 115.26 120.69 3gbt n ASN 100 Ca 0.05 -1.89 0.31 0.00 -0.60 0.00 0.00 54.58 52.45 3gbt n ASN 100 Cb 0.42 -0.22 0.59 0.00 -0.53 0.00 0.00 39.78 40.04 3gbt n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gbt n ALA 102 N -2.48 2.48 0.22 0.00 0.00 -1.26 -4.45 120.51 115.01 3gbt n ALA 102 Ca 0.33 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 53.31 3gbt n ALA 102 Cb 1.22 -1.02 0.66 0.00 0.00 0.00 0.00 19.45 20.30 3gbt n ALA 102 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gbt h LYS 103 N 2.05 0.00 0.14 0.00 3.11 -0.43 -1.63 116.57 119.80 3gbt h LYS 103 Ca 0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 3gbt h LYS 103 Cb 0.46 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.72 3gbt h LYS 103 CO 0.00 0.00 -1.16 0.77 -2.81 0.00 0.00 179.45 176.25 3gbt h SER 104 N 0.00 0.78 -0.98 4.20 0.02 -1.81 -3.10 113.55 112.66 3gbt h SER 104 Ca 0.04 -0.86 0.14 0.00 -0.84 0.00 0.00 61.79 60.27 3gbt h SER 104 Cb 0.16 -0.25 -0.09 0.00 0.14 0.00 0.00 62.40 62.36 3gbt h SER 104 CO -0.00 1.56 0.60 0.40 -1.14 0.00 0.00 176.83 178.25 3gbt h ILE 105 N 0.11 0.85 -0.22 3.27 5.03 -1.64 -1.36 117.51 123.55 3gbt h ILE 105 Ca -0.19 -0.31 -0.04 0.00 -0.12 0.00 0.00 64.86 64.21 3gbt h ILE 105 Cb 1.87 -0.12 -0.01 0.00 -3.03 0.00 0.00 36.82 35.53 3gbt h ILE 105 CO 0.22 0.16 -0.03 0.58 -0.68 0.00 0.00 178.15 178.41 3gbt h VAL 106 N 0.90 1.27 -0.46 1.67 2.07 -1.40 0.63 116.25 120.93 3gbt h VAL 106 Ca 0.51 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3gbt h VAL 106 Cb 0.59 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3gbt h VAL 106 CO -0.30 0.30 0.29 -0.61 0.02 0.00 0.00 177.57 177.27 3gbt h GLN 107 N 0.16 0.58 -0.23 1.57 5.75 -1.33 0.73 115.11 122.34 3gbt h GLN 107 Ca 0.06 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 3gbt h GLN 107 Cb 0.46 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 3gbt h GLN 107 CO 0.02 0.38 -0.04 -0.44 -2.65 0.00 0.00 178.83 176.10 3gbt h ASP 108 N 0.59 0.43 -0.99 -0.69 3.32 -1.20 0.40 116.42 118.29 3gbt h ASP 108 Ca 0.17 -0.35 0.11 0.00 0.02 0.00 0.00 57.03 56.98 3gbt h ASP 108 Cb -0.04 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.31 3gbt h ASP 108 CO -0.05 0.68 0.63 0.00 -1.72 0.00 0.00 179.24 178.78 3gbt h ALA 109 N 0.76 1.51 -0.23 3.45 0.00 -0.50 -0.34 119.26 123.92 3gbt h ALA 109 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3gbt h ALA 109 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gbt h ALA 109 CO 0.02 0.26 -0.34 -0.22 0.00 0.00 0.00 179.25 178.97 3gbt h LYS 110 N 1.02 0.49 -0.30 0.00 3.64 0.11 0.23 116.57 121.76 3gbt h LYS 110 Ca 0.48 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3gbt h LYS 110 Cb 0.42 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3gbt h LYS 110 CO -0.24 0.77 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.56 3gbt h ASN 111 N 0.42 0.59 0.06 4.20 2.35 0.11 -3.10 115.58 120.22 3gbt h ASN 111 Ca 0.05 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3gbt h ASN 111 Cb 0.80 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3gbt h ASN 111 CO 0.06 0.83 -0.04 0.54 -1.65 0.00 0.00 177.43 177.18 3gbt n ARG 112 N -4.11 1.29 -1.01 0.81 1.74 -0.27 -4.90 116.66 110.21 3gbt n ARG 112 Ca -0.00 -0.58 -0.00 0.00 -0.77 0.00 0.00 57.85 56.49 3gbt n ARG 112 Cb 0.42 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3gbt n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gbt n GLY 113 N 1.16 0.47 0.14 -0.13 0.00 -0.97 -4.93 105.19 100.93 3gbt n GLY 113 Ca 0.19 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3gbt n GLY 113 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gbt h PHE 114 N 0.00 0.81 -0.51 1.61 3.57 -0.84 -3.19 116.94 118.38 3gbt h PHE 114 Ca -0.01 -0.59 0.00 0.00 3.53 0.00 0.00 57.97 60.90 3gbt h PHE 114 Cb 0.11 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3gbt h PHE 114 CO 0.06 1.52 0.33 0.00 -2.23 0.00 0.00 178.31 178.00 3gbt h ALA 115 N 0.11 1.62 0.00 2.41 0.00 -1.65 0.11 119.26 121.86 3gbt h ALA 115 Ca -0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3gbt h ALA 115 Cb 2.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 3gbt h ALA 115 CO 0.22 0.35 -0.15 1.96 0.00 0.00 0.00 179.25 181.63 3gbt h GLN 116 N 0.70 0.00 0.06 0.00 7.50 -1.82 -1.61 115.11 119.94 3gbt h GLN 116 Ca 0.19 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 59.14 3gbt h GLN 116 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.46 3gbt h GLN 116 CO -0.04 0.15 -0.99 0.37 -1.50 0.00 0.00 178.83 176.82 3gbt h GLN 117 N 0.00 0.13 -0.48 1.46 4.15 -1.02 -1.54 115.11 117.80 3gbt h GLN 117 Ca -0.00 -0.22 0.10 0.00 0.77 0.00 0.00 58.65 59.30 3gbt h GLN 117 Cb 0.35 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.04 3gbt h GLN 117 CO 0.02 1.10 -0.08 0.82 -1.93 0.00 0.00 178.83 178.76 3gbt h ILE 118 N -0.66 0.55 -0.55 2.39 2.04 -1.13 -0.27 117.51 119.89 3gbt h ILE 118 Ca -0.23 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3gbt h ILE 118 Cb 1.45 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3gbt h ILE 118 CO -0.02 0.01 0.30 0.22 0.00 0.00 0.00 178.15 178.66 3gbt h TYR 119 N 0.04 0.76 0.00 1.37 3.20 -1.34 0.23 116.97 121.23 3gbt h TYR 119 Ca 0.24 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3gbt h TYR 119 Cb 0.36 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3gbt h TYR 119 CO -0.37 0.56 -0.10 -0.09 -1.64 0.00 0.00 178.16 176.51 3gbt h ARG 120 N 0.74 0.00 0.00 1.82 2.43 -0.74 0.34 114.38 118.97 3gbt h ARG 120 Ca 0.19 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.04 3gbt h ARG 120 Cb 0.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 3gbt h ARG 120 CO -0.03 0.10 -2.19 1.63 -1.51 0.00 0.00 179.97 177.98 3gbt n LYS 121 N -3.87 0.67 0.00 0.20 5.02 -0.16 -4.67 118.16 115.36 3gbt n LYS 121 Ca -0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3gbt n LYS 121 Cb 0.20 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3gbt n LYS 121 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gbt n THR 122 N -2.79 0.00 -1.87 -0.18 -2.24 0.75 -1.10 114.28 106.85 3gbt n THR 122 Ca -0.27 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.17 3gbt n THR 122 Cb 1.09 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 70.32 3gbt n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gbt n GLY 123 N 0.66 -3.47 0.00 3.38 0.00 0.10 -4.73 105.19 101.14 3gbt n GLY 123 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3gbt n GLY 123 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gbt n PRO 125 N 0.36 0.00 0.00 1.61 -0.02 -1.26 -1.27 135.00 134.42 3gbt n PRO 125 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3gbt n PRO 125 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 3gbt n PRO 125 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3gbt n HIS 127 N 0.00 0.00 -1.61 6.00 -0.00 -1.26 -4.93 115.22 113.42 3gbt n HIS 127 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 3gbt n HIS 127 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 3gbt n HIS 127 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3gbt n PRO 128 N 0.08 2.28 -1.31 1.57 -0.04 -1.26 -4.89 135.00 131.43 3gbt n PRO 128 Ca 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 3gbt n PRO 128 Cb 0.00 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 3gbt n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gbt n ALA 130 N 7.44 -1.00 -0.35 0.55 0.00 -1.26 -4.54 120.51 121.35 3gbt n ALA 130 Ca 0.50 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.05 3gbt n ALA 130 Cb 0.41 -0.44 0.23 0.00 0.00 0.00 0.00 19.45 19.65 3gbt n ALA 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gbt h PRO 131 N 2.07 0.00 -0.68 0.00 0.11 -1.70 -0.80 132.00 130.99 3gbt h PRO 131 Ca 0.00 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.25 3gbt h PRO 131 Cb 0.00 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 3gbt h PRO 131 CO 0.00 0.00 0.14 0.97 -0.21 0.00 0.00 178.00 178.90 3gbt h ILE 132 N 0.00 0.55 -0.24 4.15 2.10 -1.20 0.73 117.51 123.60 3gbt h ILE 132 Ca 0.55 -0.09 -0.19 0.00 1.08 0.00 0.00 64.86 66.21 3gbt h ILE 132 Cb 1.02 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3gbt h ILE 132 CO -0.97 0.05 -0.61 1.88 -1.08 0.00 0.00 178.15 177.42 3gbt h TYR 133 N 0.25 1.02 -0.84 2.19 0.05 -1.55 -1.98 116.97 116.12 3gbt h TYR 133 Ca 0.37 -0.39 0.02 0.00 0.05 0.00 0.00 58.73 58.79 3gbt h TYR 133 Cb 0.61 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 38.12 3gbt h TYR 133 CO -0.27 1.21 0.55 0.87 -1.05 0.00 0.00 178.16 179.46 3gbt h LYS 134 N 0.60 1.06 -0.14 4.88 1.57 0.22 -2.06 116.57 122.70 3gbt h LYS 134 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3gbt h LYS 134 Cb 1.22 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 3gbt h LYS 134 CO 0.13 0.70 0.06 -0.07 -0.57 0.00 0.00 179.45 179.70 3gbt h LEU 135 N 1.09 0.19 -0.93 2.94 3.38 0.48 -1.63 115.31 120.83 3gbt h LEU 135 Ca 0.32 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.27 3gbt h LEU 135 Cb -0.05 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 3gbt h LEU 135 CO -0.09 0.29 0.55 -0.07 0.09 0.00 0.00 178.44 179.20 3gbt h LEU 136 N 0.07 0.76 -0.47 1.67 3.38 -1.11 0.17 115.31 119.77 3gbt h LEU 136 Ca 0.05 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3gbt h LEU 136 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gbt h LEU 136 CO -0.00 0.37 -0.15 -0.25 0.09 0.00 0.00 178.44 178.50 3gbt h TRP 137 N 0.83 1.05 -0.51 1.13 7.01 -1.12 -2.74 115.95 121.60 3gbt h TRP 137 Ca 0.48 -0.24 -0.09 0.00 2.11 0.00 0.00 58.89 61.15 3gbt h TRP 137 Cb 0.56 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.35 3gbt h TRP 137 CO -0.04 1.03 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.53 3gbt h LEU 138 N 0.77 0.87 -0.63 0.65 3.38 -0.32 -1.27 115.31 118.77 3gbt h LEU 138 Ca 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3gbt h LEU 138 Cb 0.71 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3gbt h LEU 138 CO 0.05 0.96 0.00 1.17 0.09 0.00 0.00 178.44 180.71 3gbt n LYS 139 N -4.18 0.12 0.00 1.13 4.81 0.49 -1.40 118.16 119.13 3gbt n LYS 139 Ca 0.02 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 3gbt n LYS 139 Cb 0.34 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.61 3gbt n LYS 139 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3gbt n ASN 140 N -2.02 0.57 0.00 3.14 4.13 -0.99 -4.61 115.26 115.48 3gbt n ASN 140 Ca 0.01 -0.90 0.00 0.00 1.68 0.00 0.00 54.58 55.38 3gbt n ASN 140 Cb 0.16 0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 3gbt n ASN 140 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3gbt n LYS 141 N -0.10 0.92 -2.55 3.52 5.02 -0.51 -4.84 118.16 119.60 3gbt n LYS 141 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3gbt n LYS 141 Cb 0.07 -0.08 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 3gbt n LYS 141 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gbt n LYS 142 N 0.00 2.50 -0.27 1.97 4.01 -0.49 -4.93 118.16 120.95 3gbt n LYS 142 Ca 0.00 -4.00 0.27 0.00 -0.51 0.00 0.00 58.31 54.07 3gbt n LYS 142 Cb 0.00 -1.84 0.63 0.00 -0.51 0.00 0.00 35.03 33.30 3gbt n LYS 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3gbt h THR 143 N 2.76 0.53 0.56 -0.18 1.03 -1.77 -2.35 112.91 113.49 3gbt h THR 143 Ca 0.14 -0.07 -0.03 0.00 -0.01 0.00 0.00 66.41 66.44 3gbt h THR 143 Cb 1.03 0.32 0.01 0.00 -1.07 0.00 0.00 68.15 68.43 3gbt h THR 143 CO 0.71 0.04 -0.27 -0.08 -0.01 0.00 0.00 175.52 175.90 3gbt h GLU 144 N 0.20 -0.72 -0.02 0.00 4.57 -1.92 0.44 114.58 117.13 3gbt h GLU 144 Ca 0.52 0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.70 3gbt h GLU 144 Cb 1.68 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.43 3gbt h GLU 144 CO -0.13 -0.48 -0.22 -0.39 -1.18 0.00 0.00 179.01 176.61 3gbt h VAL 145 N -0.75 1.17 -0.46 0.32 -1.51 -1.88 -1.42 116.25 111.73 3gbt h VAL 145 Ca -0.08 -0.82 -0.09 0.00 -1.23 0.00 0.00 66.70 64.49 3gbt h VAL 145 Cb 0.57 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.12 3gbt h VAL 145 CO 0.13 0.24 -0.07 0.15 -1.23 0.00 0.00 177.57 176.78 3gbt h PHE 146 N 0.04 0.87 -0.28 5.19 3.57 -1.36 -0.80 116.94 124.16 3gbt h PHE 146 Ca 0.01 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.39 3gbt h PHE 146 Cb 0.42 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3gbt h PHE 146 CO 0.00 0.84 0.08 1.03 -2.23 0.00 0.00 178.31 178.03 3gbt h SER 147 N 0.73 0.08 0.22 0.41 0.87 0.21 -3.06 113.55 113.01 3gbt h SER 147 Ca 0.13 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3gbt h SER 147 Cb 0.55 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3gbt h SER 147 CO 0.03 0.08 -0.25 0.00 -0.53 0.00 0.00 176.83 176.16 3gbt n GLN 148 N -5.05 0.87 -1.98 2.24 10.64 -1.06 -4.87 117.38 118.17 3gbt n GLN 148 Ca -0.01 -0.52 -0.42 0.00 -1.83 0.00 0.00 57.00 54.22 3gbt n GLN 148 Cb 0.11 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 3gbt n GLN 148 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3gbt s ALA 149 N -2.48 3.44 -0.13 2.61 0.00 -0.33 -4.04 121.76 120.83 3gbt s ALA 149 Ca 0.25 0.81 0.19 0.00 0.00 0.00 0.00 51.96 53.21 3gbt s ALA 149 Cb 0.19 -3.81 -0.26 0.00 0.00 0.00 0.00 23.12 19.24 3gbt s ALA 149 CO 0.51 -1.69 0.35 1.04 0.00 0.00 0.00 175.76 175.98 3gbt n GLN 150 N 7.45 0.67 -4.26 0.00 1.13 0.13 -4.92 117.38 117.57 3gbt n GLN 150 Ca 0.19 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 55.03 3gbt n GLN 150 Cb 0.44 -1.58 -0.16 0.00 0.11 0.00 0.00 30.24 29.05 3gbt n GLN 150 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3gbt s LYS 151 N -2.90 0.92 -0.28 -1.09 -0.14 -1.06 -4.20 119.74 110.98 3gbt s LYS 151 Ca -0.08 -0.18 -0.04 0.00 -1.36 0.00 0.00 55.97 54.31 3gbt s LYS 151 Cb 0.09 -0.87 0.03 0.00 -1.68 0.00 0.00 37.83 35.40 3gbt s LYS 151 CO 0.85 -0.01 0.01 -1.58 -0.76 0.00 0.00 175.35 173.86 3gbt s TRP 152 N 0.65 3.16 0.30 3.18 0.52 0.58 0.09 118.94 127.43 3gbt s TRP 152 Ca -0.09 -1.47 0.05 0.00 0.02 0.00 0.00 56.10 54.60 3gbt s TRP 152 Cb -0.13 -2.14 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 3gbt s TRP 152 CO 0.01 -0.71 0.17 0.44 0.02 0.00 0.00 176.95 176.88 3gbt n ILE 153 N 4.72 0.00 -4.52 2.03 -5.35 0.13 -4.39 119.36 111.98 3gbt n ILE 153 Ca -0.15 -1.96 -0.29 0.00 -0.27 0.00 0.00 62.75 60.08 3gbt n ILE 153 Cb 0.46 0.83 -0.08 0.00 -1.74 0.00 0.00 39.64 39.11 3gbt n ILE 153 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gbt s GLY 154 N -2.98 2.69 0.45 3.28 0.00 -1.26 0.14 107.32 109.64 3gbt s GLY 154 Ca 0.24 -1.34 0.11 0.00 0.00 0.00 0.00 44.72 43.73 3gbt s GLY 154 CO 0.17 -2.10 2.07 1.19 0.00 0.00 0.00 173.10 174.43 3gbt h ILE 155 N 1.43 1.08 -0.13 0.90 6.09 -1.93 0.58 117.51 125.52 3gbt h ILE 155 Ca -0.43 -0.24 -0.06 0.00 -1.37 0.00 0.00 64.86 62.76 3gbt h ILE 155 Cb 1.28 0.85 -0.00 0.00 0.47 0.00 0.00 36.82 39.42 3gbt h ILE 155 CO 0.74 0.09 -0.15 0.50 -3.07 0.00 0.00 178.15 176.26 3gbt h LYS 156 N 0.26 0.33 -0.79 2.19 3.64 -1.96 -1.00 116.57 119.24 3gbt h LYS 156 Ca 0.07 -0.18 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3gbt h LYS 156 Cb 0.05 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 3gbt h LYS 156 CO -0.01 0.74 0.46 0.93 -2.27 0.00 0.00 179.45 179.31 3gbt h GLU 157 N -0.06 0.80 -0.35 1.90 3.07 -1.63 -1.90 114.58 116.41 3gbt h GLU 157 Ca 0.02 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3gbt h GLU 157 Cb 0.69 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 3gbt h GLU 157 CO 0.04 0.53 0.15 -0.92 -1.40 0.00 0.00 179.01 177.41 3gbt h TYR 158 N 0.82 0.52 -0.29 4.33 3.20 -0.77 0.12 116.97 124.91 3gbt h TYR 158 Ca 0.36 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 3gbt h TYR 158 Cb 0.25 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3gbt h TYR 158 CO -0.06 0.47 0.11 0.82 -1.64 0.00 0.00 178.16 177.87 3gbt h ILE 159 N 0.42 1.18 -0.55 1.81 2.04 -0.92 -1.67 117.51 119.82 3gbt h ILE 159 Ca 0.12 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 3gbt h ILE 159 Cb 0.16 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3gbt h ILE 159 CO -0.01 0.19 0.04 0.40 0.00 0.00 0.00 178.15 178.76 3gbt h ILE 160 N 0.32 1.25 -0.46 -0.67 2.04 -1.23 -2.59 117.51 116.17 3gbt h ILE 160 Ca 0.10 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 3gbt h ILE 160 Cb 0.19 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3gbt h ILE 160 CO -0.01 0.37 -0.04 0.15 0.00 0.00 0.00 178.15 178.62 3gbt h PHE 161 N 0.85 0.85 -0.63 1.37 3.57 -0.80 -1.85 116.94 120.29 3gbt h PHE 161 Ca 0.17 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3gbt h PHE 161 Cb 0.45 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3gbt h PHE 161 CO 0.03 0.81 0.42 0.00 -2.23 0.00 0.00 178.31 177.34 3gbt h ARG 162 N 0.73 0.83 0.00 1.11 2.47 -0.93 0.14 114.38 118.74 3gbt h ARG 162 Ca 0.13 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3gbt h ARG 162 Cb 0.51 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3gbt h ARG 162 CO 0.03 0.55 -0.61 1.28 0.56 0.00 0.00 179.97 181.77 3gbt n LEU 163 N -4.44 0.58 0.00 3.04 4.77 -0.89 -4.56 117.00 115.50 3gbt n LEU 163 Ca 0.06 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3gbt n LEU 163 Cb 0.04 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3gbt n LEU 163 CO 0.36 0.12 0.00 0.41 -1.33 0.00 0.00 177.39 176.94 3gbt n THR 164 N -1.60 0.00 -1.06 -5.08 -1.04 -0.75 -0.57 114.28 104.19 3gbt n THR 164 Ca 0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.04 3gbt n THR 164 Cb 0.35 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 3gbt n THR 164 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gbt n GLY 165 N 0.18 0.46 3.53 3.41 0.00 0.50 -4.79 105.19 108.48 3gbt n GLY 165 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3gbt n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gbt s LYS 166 N -1.25 2.69 -0.66 1.61 1.02 -1.26 -5.02 119.74 116.87 3gbt s LYS 166 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 3gbt s LYS 166 Cb 0.00 -2.52 0.17 0.00 -0.52 0.00 0.00 37.83 34.96 3gbt s LYS 166 CO 0.00 0.63 0.56 -0.51 -0.92 0.00 0.00 175.35 175.11 3gbt s LEU 167 N -0.72 6.11 0.01 3.17 1.43 -1.26 -3.38 118.68 124.04 3gbt s LEU 167 Ca 0.11 -2.42 0.04 0.00 -1.03 0.00 0.00 54.13 50.83 3gbt s LEU 167 Cb -0.11 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3gbt s LEU 167 CO 0.01 -0.60 -0.12 -0.69 0.23 0.00 0.00 176.35 175.18 3gbt s VAL 168 N 0.60 0.96 0.19 -1.59 1.01 -1.26 -2.69 120.40 117.61 3gbt s VAL 168 Ca 0.13 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.50 3gbt s VAL 168 Cb -0.19 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3gbt s VAL 168 CO -0.04 0.15 -0.15 0.28 0.00 0.00 0.00 175.10 175.34 3gbt s THR 169 N -0.51 1.69 0.31 3.92 -1.32 -0.16 -4.50 115.64 115.07 3gbt s THR 169 Ca 0.03 -2.11 0.06 0.00 -1.21 0.00 0.00 61.69 58.46 3gbt s THR 169 Cb -0.06 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 68.96 3gbt s THR 169 CO 0.00 -0.54 0.43 1.51 -2.21 0.00 0.00 174.62 173.81 3gbt s ASP 170 N -3.12 6.01 0.17 8.08 1.47 -1.26 -0.63 116.67 127.38 3gbt s ASP 170 Ca 0.20 -0.14 -0.16 0.00 1.18 0.00 0.00 52.55 53.63 3gbt s ASP 170 Cb -0.02 -1.37 0.12 0.00 -0.34 0.00 0.00 42.92 41.31 3gbt s ASP 170 CO 0.06 -0.34 1.69 0.74 0.68 0.00 0.00 175.17 178.00 3gbt h THR 171 N 0.98 0.66 0.00 2.11 2.02 -1.66 -1.83 112.91 115.19 3gbt h THR 171 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3gbt h THR 171 Cb 1.25 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3gbt h THR 171 CO 0.55 0.01 0.00 0.35 0.37 0.00 0.00 175.52 176.80 3gbt n THR 172 N -5.23 0.00 0.00 3.16 -2.24 -1.23 -1.07 114.28 107.67 3gbt n THR 172 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3gbt n THR 172 Cb 0.22 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3gbt n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbt n ALA 174 N 0.67 0.00 0.41 6.98 0.00 -0.69 -3.57 120.51 124.31 3gbt n ALA 174 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3gbt n ALA 174 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 3gbt n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbt n ALA 175 N 0.00 1.67 -0.87 0.00 0.00 -0.23 -2.12 120.51 118.97 3gbt n ALA 175 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.59 3gbt n ALA 175 Cb 0.00 -1.38 0.34 0.00 0.00 0.00 0.00 19.45 18.41 3gbt n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbt n GLY 176 N 0.03 3.32 0.10 0.00 0.00 -1.23 -4.31 105.19 103.09 3gbt n GLY 176 Ca 0.02 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 3gbt n GLY 176 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gbt n THR 177 N 0.30 1.49 -0.38 2.61 -2.24 -0.90 -3.87 114.28 111.30 3gbt n THR 177 Ca 0.25 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3gbt n THR 177 Cb 1.02 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3gbt n THR 177 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gbt n GLY 178 N 1.81 0.80 0.00 3.38 0.00 -1.26 -0.65 105.19 109.27 3gbt n GLY 178 Ca -0.31 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3gbt n GLY 178 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gbt n ILE 179 N -2.38 0.00 -2.46 -0.61 5.41 -1.26 -4.81 119.36 113.25 3gbt n ILE 179 Ca 0.00 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.31 3gbt n ILE 179 Cb 0.00 0.51 -0.02 0.00 -0.71 0.00 0.00 39.64 39.42 3gbt n ILE 179 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3gbt s LEU 180 N -2.98 4.20 0.23 1.39 2.96 -1.26 -0.28 118.68 122.94 3gbt s LEU 180 Ca -0.00 1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 55.30 3gbt s LEU 180 Cb 0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 3gbt s LEU 180 CO 0.01 -0.70 1.41 0.21 -1.32 0.00 0.00 176.35 175.96 3gbt s ASN 181 N 1.75 6.72 0.21 3.68 2.47 -0.08 -4.24 114.94 125.44 3gbt s ASN 181 Ca 0.54 2.59 -0.05 0.00 0.42 0.00 0.00 52.86 56.36 3gbt s ASN 181 Cb -0.22 -2.62 0.17 0.00 -1.45 0.00 0.00 41.25 37.13 3gbt s ASN 181 CO 0.16 -0.66 1.63 -0.07 -3.72 0.00 0.00 177.10 174.44 3gbt h LEU 182 N 5.19 0.83 0.03 3.21 4.07 -1.40 -0.61 115.31 126.63 3gbt h LEU 182 Ca -0.45 -0.29 -0.09 0.00 0.08 0.00 0.00 57.88 57.13 3gbt h LEU 182 Cb 1.22 -0.23 0.01 0.00 1.08 0.00 0.00 40.66 42.74 3gbt h LEU 182 CO 0.78 1.01 -0.36 0.50 -1.08 0.00 0.00 178.44 179.29 3gbt h LYS 183 N 0.72 0.19 0.00 1.13 3.64 -1.92 -3.36 116.57 116.97 3gbt h LYS 183 Ca 0.11 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.07 3gbt h LYS 183 Cb 0.71 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3gbt h LYS 183 CO 0.05 1.03 -1.16 1.79 -2.27 0.00 0.00 179.45 178.89 3gbt h THR 184 N -0.54 0.79 -1.41 1.00 1.35 -1.96 -3.48 112.91 108.66 3gbt h THR 184 Ca -0.05 -2.32 -0.33 0.00 -0.55 0.00 0.00 66.41 63.16 3gbt h THR 184 Cb 1.18 2.29 -0.08 0.00 -1.73 0.00 0.00 68.15 69.80 3gbt h THR 184 CO 0.07 0.45 -0.35 0.18 -0.25 0.00 0.00 175.52 175.62 3gbt n LEU 185 N -3.05 -1.41 -4.55 3.87 4.77 -0.23 -5.01 117.00 111.38 3gbt n LEU 185 Ca -0.06 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 3gbt n LEU 185 Cb 0.85 -2.35 -0.10 0.00 -2.33 0.00 0.00 43.42 39.49 3gbt n LEU 185 CO 0.43 -0.56 -0.26 0.42 -1.33 0.00 0.00 177.39 176.09 3gbt s THR 186 N -2.68 1.31 0.17 -5.08 -4.23 -1.26 -4.89 115.64 98.97 3gbt s THR 186 Ca 0.00 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.18 3gbt s THR 186 Cb 0.00 -2.69 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 3gbt s THR 186 CO 0.00 0.00 1.43 0.79 -0.54 0.00 0.00 174.62 176.30 3gbt n TRP 187 N -0.88 1.97 -2.35 3.99 5.03 -1.26 -0.90 117.44 123.04 3gbt n TRP 187 Ca -0.06 0.44 -0.43 0.00 3.03 0.00 0.00 57.50 60.48 3gbt n TRP 187 Cb 0.66 -2.44 -0.02 0.00 -1.03 0.00 0.00 31.31 28.48 3gbt n TRP 187 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 3gbt s ASP 188 N 0.52 6.45 0.19 -0.99 2.15 0.61 -4.72 116.67 120.88 3gbt s ASP 188 Ca 0.76 1.04 -0.12 0.00 0.43 0.00 0.00 52.55 54.66 3gbt s ASP 188 Cb -0.75 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 39.43 3gbt s ASP 188 CO 0.45 -1.30 1.83 -0.61 -0.17 0.00 0.00 175.17 175.37 3gbt h GLN 189 N 10.27 0.84 -0.90 4.34 5.75 -1.90 -0.28 115.11 133.23 3gbt h GLN 189 Ca -0.28 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 58.26 3gbt h GLN 189 Cb 1.11 -0.18 -0.08 0.00 1.07 0.00 0.00 27.48 29.40 3gbt h GLN 189 CO 1.06 0.59 0.54 1.49 -2.65 0.00 0.00 178.83 179.86 3gbt h GLU 190 N 0.84 0.85 -0.18 1.69 4.81 -1.98 0.33 114.58 120.94 3gbt h GLU 190 Ca 0.22 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.21 3gbt h GLU 190 Cb -0.04 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.15 3gbt h GLU 190 CO -0.04 0.56 -0.67 -0.07 -0.73 0.00 0.00 179.01 178.06 3gbt h LEU 191 N 0.87 0.79 -0.92 1.64 3.38 -1.75 -2.88 115.31 116.44 3gbt h LEU 191 Ca 0.44 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3gbt h LEU 191 Cb 0.42 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3gbt h LEU 191 CO -0.26 1.25 0.59 -0.07 0.09 0.00 0.00 178.44 180.04 3gbt h LEU 192 N 0.50 0.96 -0.41 1.67 3.38 0.03 0.02 115.31 121.45 3gbt h LEU 192 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3gbt h LEU 192 Cb 1.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3gbt h LEU 192 CO 0.13 0.63 0.01 0.44 0.09 0.00 0.00 178.44 179.75 3gbt h ASP 193 N 1.11 0.70 -0.14 -0.43 3.32 -0.93 -0.40 116.42 119.65 3gbt h ASP 193 Ca 0.39 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3gbt h ASP 193 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3gbt h ASP 193 CO -0.15 0.83 -0.23 0.40 -1.72 0.00 0.00 179.24 178.36 3gbt h ILE 194 N 0.55 1.27 0.00 0.35 2.04 -1.27 -2.35 117.51 118.10 3gbt h ILE 194 Ca 0.12 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 3gbt h ILE 194 Cb 0.46 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3gbt h ILE 194 CO 0.02 0.41 -0.11 -0.07 0.00 0.00 0.00 178.15 178.40 3gbt h LEU 195 N 0.51 0.00 1.72 1.44 4.07 -0.75 -3.46 115.31 118.83 3gbt h LEU 195 Ca 0.07 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.74 3gbt h LEU 195 Cb 0.68 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.38 3gbt h LEU 195 CO 0.05 0.11 -0.35 0.29 -1.08 0.00 0.00 178.44 177.46 3gbt n LYS 196 N -3.30 -1.14 -4.02 1.13 5.02 -0.26 -4.96 118.16 110.64 3gbt n LYS 196 Ca -0.00 0.80 -0.27 0.00 -2.02 0.00 0.00 58.31 56.81 3gbt n LYS 196 Cb 0.34 -5.06 -0.05 0.00 -0.02 0.00 0.00 35.03 30.24 3gbt n LYS 196 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gbt s ILE 197 N -2.68 4.85 -0.08 -0.18 -1.09 -0.58 -5.04 121.20 116.41 3gbt s ILE 197 Ca 0.00 -0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 57.59 3gbt s ILE 197 Cb 0.00 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3gbt s ILE 197 CO 0.00 -0.03 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.10 3gbt s LYS 198 N -2.95 2.86 0.54 2.79 -0.14 -1.26 -4.45 119.74 117.12 3gbt s LYS 198 Ca 0.32 -0.49 0.47 0.00 -1.36 0.00 0.00 55.97 54.91 3gbt s LYS 198 Cb -0.11 -2.68 1.70 0.00 -1.68 0.00 0.00 37.83 35.06 3gbt s LYS 198 CO 0.25 0.67 1.57 -0.22 -0.76 0.00 0.00 175.35 176.87 3gbt h LYS 199 N 5.25 0.00 0.00 1.68 3.64 -1.96 0.57 116.57 125.75 3gbt h LYS 199 Ca -0.49 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 3gbt h LYS 199 Cb 1.18 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3gbt h LYS 199 CO 0.53 0.00 -0.42 0.93 -2.27 0.00 0.00 179.45 178.23 3gbt h GLU 200 N 0.00 0.00 -0.09 1.90 3.07 -1.96 -3.01 114.58 114.50 3gbt h GLU 200 Ca 0.93 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.79 3gbt h GLU 200 Cb 3.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 31.51 3gbt h GLU 200 CO -0.11 0.42 0.00 1.04 -1.40 0.00 0.00 179.01 178.96 3gbt n GLN 201 N -3.44 1.13 -4.62 2.33 6.02 0.20 -4.82 117.38 114.18 3gbt n GLN 201 Ca 0.00 -0.19 -0.25 0.00 -0.01 0.00 0.00 57.00 56.56 3gbt n GLN 201 Cb 0.58 -1.06 -0.14 0.00 1.02 0.00 0.00 30.24 30.63 3gbt n GLN 201 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gbt s LEU 202 N -0.97 2.15 0.63 1.08 1.43 -1.14 -0.31 118.68 121.56 3gbt s LEU 202 Ca 0.03 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 3gbt s LEU 202 Cb 0.02 -0.92 -0.07 0.00 0.03 0.00 0.00 46.19 45.25 3gbt s LEU 202 CO 0.02 0.15 0.50 -2.65 0.23 0.00 0.00 176.35 174.60 3gbt n PRO 203 N 1.93 0.43 -1.88 1.29 -0.02 -1.26 -4.96 135.00 130.53 3gbt n PRO 203 Ca -0.17 0.18 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 3gbt n PRO 203 Cb 0.54 -1.72 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 3gbt n PRO 203 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gbt s LYS 204 N -2.29 3.17 -0.16 -0.52 1.02 -1.10 -4.76 119.74 115.10 3gbt s LYS 204 Ca 0.67 1.13 -0.06 0.00 0.02 0.00 0.00 55.97 57.73 3gbt s LYS 204 Cb -0.41 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3gbt s LYS 204 CO 0.56 -0.93 0.04 0.42 -0.92 0.00 0.00 175.35 174.53 3gbt s ILE 205 N -2.64 4.63 0.35 2.17 1.01 -1.26 -0.99 121.20 124.47 3gbt s ILE 205 Ca 0.62 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.21 3gbt s ILE 205 Cb -0.15 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3gbt s ILE 205 CO 0.43 0.50 0.16 0.00 0.00 0.00 0.00 174.94 176.02 3gbt s ALA 206 N 0.07 2.33 0.61 9.38 0.00 0.19 -4.96 121.76 129.39 3gbt s ALA 206 Ca 0.04 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.21 3gbt s ALA 206 Cb -0.12 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 3gbt s ALA 206 CO 0.01 -0.45 1.14 -0.65 0.00 0.00 0.00 175.76 175.81 3gbt s GLN 207 N -3.74 2.97 0.54 0.00 -0.21 -1.26 -2.03 119.66 115.94 3gbt s GLN 207 Ca 0.32 1.58 0.24 0.00 0.02 0.00 0.00 55.36 57.51 3gbt s GLN 207 Cb 0.04 -1.96 1.52 0.00 1.00 0.00 0.00 33.01 33.61 3gbt s GLN 207 CO 0.18 -1.15 2.17 -1.35 -2.12 0.00 0.00 175.29 173.02 3gbt h PRO 208 N 0.57 0.00 -0.00 2.91 0.11 -1.92 -2.11 132.00 131.55 3gbt h PRO 208 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gbt h PRO 208 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gbt h PRO 208 CO 0.55 0.04 -0.06 0.25 -0.21 0.00 0.00 178.00 178.56 3gbt n THR 209 N -4.08 0.00 -1.72 -1.15 -2.24 -1.26 -0.76 114.28 103.07 3gbt n THR 209 Ca -0.03 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 3gbt n THR 209 Cb 0.12 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.15 3gbt n THR 209 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3gbt n LYS 210 N -0.93 2.38 -3.07 -0.78 4.81 -0.80 -4.63 118.16 115.14 3gbt n LYS 210 Ca 0.16 0.84 -0.40 0.00 -0.87 0.00 0.00 58.31 58.05 3gbt n LYS 210 Cb 0.25 -2.53 -0.05 0.00 0.02 0.00 0.00 35.03 32.72 3gbt n LYS 210 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3gbt s VAL 211 N -0.45 5.05 -0.29 3.15 1.01 -1.26 -1.41 120.40 126.19 3gbt s VAL 211 Ca 0.61 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.93 3gbt s VAL 211 Cb -0.55 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 31.83 3gbt s VAL 211 CO 0.54 0.23 0.05 -0.63 0.00 0.00 0.00 175.10 175.30 3gbt s ILE 212 N 0.95 3.60 -0.02 2.22 1.09 0.12 -4.98 121.20 124.17 3gbt s ILE 212 Ca 0.36 -0.91 -0.03 0.00 -1.10 0.00 0.00 60.65 58.97 3gbt s ILE 212 Cb -0.17 -2.90 0.01 0.00 -1.06 0.00 0.00 42.46 38.33 3gbt s ILE 212 CO 0.16 0.04 0.08 0.12 -0.10 0.00 0.00 174.94 175.24 3gbt s PHE 213 N 1.42 -0.05 0.46 3.97 5.36 -1.26 -2.83 117.98 125.05 3gbt s PHE 213 Ca 0.01 0.13 0.08 0.00 -0.96 0.00 0.00 56.93 56.19 3gbt s PHE 213 Cb -0.18 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.53 3gbt s PHE 213 CO 0.01 -0.08 0.52 -1.25 -1.46 0.00 0.00 175.22 172.96 3gbt s PRO 214 N -0.20 2.56 -0.05 10.12 0.05 -1.26 -5.12 135.00 141.10 3gbt s PRO 214 Ca -0.03 -1.51 -0.29 0.00 0.05 0.00 0.00 61.00 59.22 3gbt s PRO 214 Cb -0.02 -2.53 -0.02 0.00 0.05 0.00 0.00 34.50 31.98 3gbt s PRO 214 CO 0.00 -0.39 0.95 0.42 0.05 0.00 0.00 177.00 178.03 3gbt s ILE 215 N -2.50 4.86 0.20 0.56 1.01 -1.26 -4.60 121.20 119.47 3gbt s ILE 215 Ca 0.51 1.97 -0.32 0.00 0.00 0.00 0.00 60.65 62.82 3gbt s ILE 215 Cb -0.06 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 37.98 3gbt s ILE 215 CO 0.31 0.12 1.17 0.29 0.00 0.00 0.00 174.94 176.83 3gbt n LYS 216 N 4.29 1.30 -0.14 2.79 5.02 0.26 -4.70 118.16 126.98 3gbt n LYS 216 Ca 0.06 0.46 0.09 0.00 -2.02 0.00 0.00 58.31 56.90 3gbt n LYS 216 Cb 0.50 -1.96 0.41 0.00 -0.02 0.00 0.00 35.03 33.96 3gbt n LYS 216 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3gbt h THR 217 N 2.62 0.97 -0.75 -0.18 2.02 -1.95 -1.15 112.91 114.48 3gbt h THR 217 Ca -0.43 -0.21 0.16 0.00 0.77 0.00 0.00 66.41 66.70 3gbt h THR 217 Cb 1.33 0.30 -0.14 0.00 -1.74 0.00 0.00 68.15 67.90 3gbt h THR 217 CO 0.69 0.11 -0.13 -0.08 0.37 0.00 0.00 175.52 176.48 3gbt h GLU 218 N 0.62 0.02 0.02 6.66 4.81 -1.98 -1.96 114.58 122.77 3gbt h GLU 218 Ca 0.30 -0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.26 3gbt h GLU 218 Cb 0.37 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3gbt h GLU 218 CO -0.10 0.02 -1.45 1.88 -0.73 0.00 0.00 179.01 178.63 3gbt h TYR 219 N 0.02 0.08 -0.89 0.92 0.05 -1.58 -2.11 116.97 113.47 3gbt h TYR 219 Ca 0.38 -0.06 0.18 0.00 0.05 0.00 0.00 58.73 59.27 3gbt h TYR 219 Cb 0.61 -0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.24 3gbt h TYR 219 CO -0.55 1.08 0.46 0.28 -1.05 0.00 0.00 178.16 178.38 3gbt h VAL 220 N 0.01 0.66 0.22 -2.88 2.07 -0.95 0.79 116.25 116.16 3gbt h VAL 220 Ca -0.19 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3gbt h VAL 220 Cb 1.93 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3gbt h VAL 220 CO 0.11 0.11 -0.10 0.11 0.02 0.00 0.00 177.57 177.81 3gbt h LYS 221 N 0.59 -0.28 -0.57 1.57 6.56 -1.39 -1.89 116.57 121.16 3gbt h LYS 221 Ca 0.51 0.02 0.11 0.00 -1.06 0.00 0.00 60.65 60.24 3gbt h LYS 221 Cb 0.82 0.06 -0.11 0.00 -0.57 0.00 0.00 32.23 32.43 3gbt h LYS 221 CO -0.41 0.04 -0.19 0.87 -2.06 0.00 0.00 179.45 177.70 3gbt h LYS 222 N -0.97 -0.04 -0.00 3.15 1.57 -0.85 -2.14 116.57 117.28 3gbt h LYS 222 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gbt h LYS 222 Cb 0.45 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3gbt h LYS 222 CO 0.05 -0.03 -0.04 1.28 -0.57 0.00 0.00 179.45 180.14 3gbt n LEU 223 N -5.42 0.21 -2.38 2.94 4.77 0.27 -4.83 117.00 112.55 3gbt n LEU 223 Ca 0.06 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 3gbt n LEU 223 Cb 0.32 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3gbt n LEU 223 CO 0.06 0.04 0.15 0.61 -1.33 0.00 0.00 177.39 176.91 3gbt n GLY 224 N 1.23 0.04 2.53 -0.72 0.00 -0.81 -3.83 105.19 103.64 3gbt n GLY 224 Ca 0.16 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3gbt n GLY 224 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gbt n ILE 225 N -3.96 0.00 -2.73 -0.61 -5.35 -0.73 -4.88 119.36 101.10 3gbt n ILE 225 Ca -0.00 -1.65 -0.20 0.00 -0.27 0.00 0.00 62.75 60.62 3gbt n ILE 225 Cb 0.54 0.29 0.03 0.00 -1.74 0.00 0.00 39.64 38.76 3gbt n ILE 225 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3gbt s ASP 226 N -2.96 5.36 0.27 7.28 1.01 -1.26 -4.66 116.67 121.71 3gbt s ASP 226 Ca 0.02 -0.12 0.25 0.00 0.71 0.00 0.00 52.55 53.41 3gbt s ASP 226 Cb -0.00 -0.80 0.91 0.00 1.01 0.00 0.00 42.92 44.03 3gbt s ASP 226 CO 0.01 -1.05 1.75 0.77 0.21 0.00 0.00 175.17 176.86 3gbt h SER 227 N 0.21 0.00 -0.39 0.27 4.64 -1.96 -3.01 113.55 113.31 3gbt h SER 227 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3gbt h SER 227 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3gbt h SER 227 CO 0.50 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.56 3gbt n ASP 228 N -2.37 3.68 -4.62 4.97 5.68 -1.26 -4.76 116.55 117.87 3gbt n ASP 228 Ca 0.03 -2.45 -0.43 0.00 -0.50 0.00 0.00 54.79 51.45 3gbt n ASP 228 Cb 0.33 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.87 3gbt n ASP 228 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gbt s THR 229 N -1.82 3.55 0.33 2.12 2.01 -1.14 -4.92 115.64 115.78 3gbt s THR 229 Ca 0.36 0.61 -0.26 0.00 0.31 0.00 0.00 61.69 62.71 3gbt s THR 229 Cb 0.24 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.06 3gbt s THR 229 CO 0.16 -0.28 0.96 -0.54 -0.69 0.00 0.00 174.62 174.22 3gbt s LYS 230 N 5.01 4.54 -0.23 4.92 3.01 -0.79 -4.63 119.74 131.58 3gbt s LYS 230 Ca 0.77 1.35 -0.14 0.00 -1.01 0.00 0.00 55.97 56.94 3gbt s LYS 230 Cb -0.26 -2.77 -0.04 0.00 -1.01 0.00 0.00 37.83 33.75 3gbt s LYS 230 CO 0.31 0.23 0.32 0.42 0.51 0.00 0.00 175.35 177.15 3gbt s ILE 231 N -1.62 5.24 -0.15 2.17 -1.09 -1.13 -0.76 121.20 123.86 3gbt s ILE 231 Ca 0.51 0.52 -0.15 0.00 -2.23 0.00 0.00 60.65 59.30 3gbt s ILE 231 Cb -0.19 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 3gbt s ILE 231 CO 0.24 0.26 0.34 -0.63 -1.23 0.00 0.00 174.94 173.93 3gbt s ILE 232 N 1.38 5.27 0.29 2.92 -1.09 -0.11 0.12 121.20 129.98 3gbt s ILE 232 Ca 0.15 0.66 0.03 0.00 -2.23 0.00 0.00 60.65 59.26 3gbt s ILE 232 Cb -0.15 -3.68 0.28 0.00 -1.58 0.00 0.00 42.46 37.33 3gbt s ILE 232 CO 0.07 0.38 1.73 0.25 -1.23 0.00 0.00 174.94 176.14 3gbt h LEU 233 N 6.64 0.47 0.00 2.97 5.85 -1.15 -3.31 115.31 126.78 3gbt h LEU 233 Ca -0.41 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3gbt h LEU 233 Cb 1.17 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3gbt h LEU 233 CO 0.75 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.57 3gbt n GLY 234 N -1.33 -1.66 0.00 3.75 0.00 0.06 -4.54 105.19 101.47 3gbt n GLY 234 Ca 0.21 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3gbt n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbt n ALA 235 N 0.95 0.00 -1.85 4.61 0.00 -0.31 -4.24 120.51 119.67 3gbt n ALA 235 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3gbt n ALA 235 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3gbt n ALA 235 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gbt s SER 236 N -0.32 6.73 0.47 0.00 1.04 -1.26 -2.57 113.70 117.79 3gbt s SER 236 Ca 0.00 1.60 0.15 0.00 0.48 0.00 0.00 55.95 58.18 3gbt s SER 236 Cb 0.00 -2.51 1.13 0.00 0.10 0.00 0.00 66.02 64.74 3gbt s SER 236 CO 0.00 -0.50 2.05 -2.24 0.98 0.00 0.00 173.24 173.53 3gbt h ASP 237 N 1.26 0.21 -0.15 7.02 3.04 -1.01 -0.35 116.42 126.45 3gbt h ASP 237 Ca -0.48 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.26 3gbt h ASP 237 Cb 1.18 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 39.42 3gbt h ASP 237 CO 0.61 0.14 -0.12 1.23 -2.04 0.00 0.00 179.24 179.06 3gbt h GLY 238 N 0.25 0.37 0.75 7.15 0.00 -1.92 -0.44 103.07 109.23 3gbt h GLY 238 Ca 0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3gbt h GLY 238 CO -0.03 0.33 -0.11 -1.82 0.00 0.00 0.00 176.54 174.91 3gbt h TYR 239 N -0.02 0.41 -0.17 5.60 3.20 -1.88 -3.04 116.97 121.06 3gbt h TYR 239 Ca 0.03 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 3gbt h TYR 239 Cb 0.63 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3gbt h TYR 239 CO 0.08 0.70 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.81 3gbt h LEU 240 N -0.00 0.42 -1.31 2.82 3.38 -1.06 -1.74 115.31 117.82 3gbt h LEU 240 Ca 0.03 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3gbt h LEU 240 Cb 0.61 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3gbt h LEU 240 CO 0.03 0.79 -0.34 0.28 0.09 0.00 0.00 178.44 179.29 3gbt h SER 241 N 0.33 0.00 0.04 -0.43 0.02 -1.14 0.45 113.55 112.82 3gbt h SER 241 Ca 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3gbt h SER 241 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3gbt h SER 241 CO 0.07 0.34 -0.02 0.74 -1.14 0.00 0.00 176.83 176.82 3gbt h THR 242 N 0.00 1.31 0.00 -2.27 2.02 -1.25 -3.05 112.91 109.67 3gbt h THR 242 Ca -0.00 -1.70 -0.04 0.00 0.77 0.00 0.00 66.41 65.44 3gbt h THR 242 Cb 0.64 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 3gbt h THR 242 CO 0.04 0.40 -0.17 0.16 0.37 0.00 0.00 175.52 176.32 3gbt h ILE 243 N -0.88 0.62 0.00 3.11 3.07 -1.33 -1.65 117.51 120.45 3gbt h ILE 243 Ca -0.01 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 65.64 3gbt h ILE 243 Cb 0.69 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3gbt h ILE 243 CO 0.01 0.17 0.00 0.61 -1.05 0.00 0.00 178.15 177.89 3gbt n GLY 244 N -0.42 -1.17 0.83 0.16 0.00 0.16 -1.58 105.19 103.16 3gbt n GLY 244 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.04 3gbt n GLY 244 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gbt n VAL 245 N -1.63 1.77 -1.85 1.61 0.24 -1.02 -4.65 118.33 112.79 3gbt n VAL 245 Ca 0.04 -1.50 -0.14 0.00 -2.04 0.00 0.00 64.34 60.70 3gbt n VAL 245 Cb 0.22 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.62 3gbt n VAL 245 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3gbt n ASN 246 N -0.04 -4.49 -4.17 -1.34 5.15 -0.61 -4.91 115.26 104.85 3gbt n ASN 246 Ca 0.18 0.16 -0.43 0.00 -0.60 0.00 0.00 54.58 53.88 3gbt n ASN 246 Cb 0.71 -3.45 0.00 0.00 -0.53 0.00 0.00 39.78 36.51 3gbt n ASN 246 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gbt n ALA 247 N -0.26 4.66 1.00 5.20 0.00 -0.65 -4.77 120.51 125.69 3gbt n ALA 247 Ca -0.15 -4.43 0.10 0.00 0.00 0.00 0.00 53.44 48.96 3gbt n ALA 247 Cb 0.55 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 3gbt n ALA 247 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3gbt n ILE 248 N 3.31 0.00 -4.27 0.00 -5.35 -1.26 -4.31 119.36 107.48 3gbt n ILE 248 Ca 0.34 -0.02 -0.17 0.00 -0.27 0.00 0.00 62.75 62.63 3gbt n ILE 248 Cb 0.38 0.88 -0.09 0.00 -1.74 0.00 0.00 39.64 39.07 3gbt n ILE 248 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3gbt s ASP 249 N -2.96 1.16 0.32 7.28 1.47 -1.26 -4.82 116.67 117.86 3gbt s ASP 249 Ca 0.09 -1.59 0.24 0.00 1.18 0.00 0.00 52.55 52.47 3gbt s ASP 249 Cb 0.16 0.46 1.14 0.00 -0.34 0.00 0.00 42.92 44.34 3gbt s ASP 249 CO 0.82 -0.95 1.73 0.77 0.68 0.00 0.00 175.17 178.22 3gbt h SER 250 N 2.31 0.00 0.28 2.11 4.64 -1.76 -2.10 113.55 119.03 3gbt h SER 250 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3gbt h SER 250 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3gbt h SER 250 CO 0.46 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.89 3gbt n ASP 251 N -2.33 0.00 -4.24 4.97 8.00 -1.26 -4.54 116.55 117.14 3gbt n ASP 251 Ca 0.00 -0.45 -0.19 0.00 0.71 0.00 0.00 54.79 54.87 3gbt n ASP 251 Cb 0.15 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 3gbt n ASP 251 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3gbt s HIS 252 N -2.32 1.65 0.20 1.24 3.76 -0.79 -0.38 115.29 118.64 3gbt s HIS 252 Ca 0.33 -1.20 -0.15 0.00 -0.15 0.00 0.00 55.06 53.89 3gbt s HIS 252 Cb 0.19 -0.98 0.01 0.00 1.11 0.00 0.00 32.58 32.92 3gbt s HIS 252 CO 0.38 -0.32 0.48 0.00 -0.85 0.00 0.00 174.74 174.42 3gbt s ALA 254 N -3.92 2.66 -0.24 0.00 0.00 0.28 -0.88 121.76 119.66 3gbt s ALA 254 Ca 0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 3gbt s ALA 254 Cb -0.00 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.76 3gbt s ALA 254 CO 0.00 -0.04 -0.07 -1.17 0.00 0.00 0.00 175.76 174.48 3gbt s LEU 255 N 0.83 3.08 -0.10 0.00 2.96 -0.41 -0.52 118.68 124.51 3gbt s LEU 255 Ca -0.04 -0.82 0.03 0.00 -0.22 0.00 0.00 54.13 53.09 3gbt s LEU 255 Cb -0.15 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3gbt s LEU 255 CO 0.01 -0.11 -0.20 0.21 -1.32 0.00 0.00 176.35 174.94 3gbt s ASN 256 N 1.33 3.48 -0.15 3.68 2.47 -0.32 -1.46 114.94 123.97 3gbt s ASN 256 Ca 0.01 -0.44 -0.03 0.00 0.42 0.00 0.00 52.86 52.81 3gbt s ASN 256 Cb -0.16 -1.33 0.05 0.00 -1.45 0.00 0.00 41.25 38.36 3gbt s ASN 256 CO -0.05 0.19 0.06 -0.69 -3.72 0.00 0.00 177.10 172.89 3gbt s VAL 257 N 0.17 0.16 0.00 -5.21 1.01 -0.05 0.17 120.40 116.65 3gbt s VAL 257 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3gbt s VAL 257 Cb -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3gbt s VAL 257 CO 0.06 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3gbt n GLY 258 N 5.19 1.59 0.11 4.51 0.00 -1.26 -1.32 105.19 114.01 3gbt n GLY 258 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 3gbt n GLY 258 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gbt h THR 259 N 0.00 0.84 -5.51 2.61 2.02 -1.93 0.40 112.91 111.35 3gbt h THR 259 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.65 3gbt h THR 259 Cb 0.00 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 3gbt h THR 259 CO 0.00 0.00 -0.29 -1.54 0.37 0.00 0.00 175.52 174.06 3gbt n SER 260 N -5.18 2.72 -1.31 4.18 3.41 -1.26 -0.89 113.62 115.30 3gbt n SER 260 Ca -0.06 -2.76 -0.02 0.00 -0.26 0.00 0.00 58.87 55.76 3gbt n SER 260 Cb 0.11 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 3gbt n SER 260 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gbt n GLY 261 N -0.83 3.26 3.61 5.00 0.00 0.51 -4.51 105.19 112.24 3gbt n GLY 261 Ca -0.06 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3gbt n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbt s ALA 262 N -1.88 -1.91 -0.09 4.61 0.00 0.13 -0.93 121.76 121.68 3gbt s ALA 262 Ca 0.05 1.79 0.04 0.00 0.00 0.00 0.00 51.96 53.85 3gbt s ALA 262 Cb -0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 3gbt s ALA 262 CO 0.03 -0.28 -0.24 -1.50 0.00 0.00 0.00 175.76 173.77 3gbt s ILE 263 N -0.15 2.06 0.05 0.00 1.10 -0.81 -1.18 121.20 122.28 3gbt s ILE 263 Ca 0.00 -1.03 -0.07 0.00 -0.51 0.00 0.00 60.65 59.05 3gbt s ILE 263 Cb -0.04 -1.77 -0.01 0.00 0.15 0.00 0.00 42.46 40.79 3gbt s ILE 263 CO -0.02 0.56 0.13 -0.13 -2.11 0.00 0.00 174.94 173.37 3gbt s ARG 264 N 0.25 0.68 0.09 3.50 0.52 0.32 -1.28 118.95 123.03 3gbt s ARG 264 Ca -0.16 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.12 3gbt s ARG 264 Cb -0.17 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.58 3gbt s ARG 264 CO 0.08 -0.19 0.27 -0.08 0.02 0.00 0.00 175.30 175.41 3gbt s THR 265 N -3.00 0.11 -0.12 0.02 -1.32 -0.05 0.10 115.64 111.38 3gbt s THR 265 Ca -0.02 -0.92 0.01 0.00 -1.21 0.00 0.00 61.69 59.56 3gbt s THR 265 Cb 0.01 -1.22 -0.01 0.00 -1.51 0.00 0.00 72.50 69.77 3gbt s THR 265 CO -0.06 -0.51 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.05 3gbt s ILE 266 N -3.65 2.76 0.35 5.08 1.01 -1.26 0.08 121.20 125.57 3gbt s ILE 266 Ca 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3gbt s ILE 266 Cb 0.03 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 3gbt s ILE 266 CO -0.10 0.54 0.05 0.68 0.00 0.00 0.00 174.94 176.11 3gbt s VAL 267 N 0.28 1.31 0.17 2.92 -7.23 0.72 -1.89 120.40 116.68 3gbt s VAL 267 Ca -0.12 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.91 3gbt s VAL 267 Cb -0.16 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.04 3gbt s VAL 267 CO 0.06 0.00 1.80 0.44 -0.31 0.00 0.00 175.10 177.09 3gbt h ASP 268 N 2.02 0.40 -5.48 4.85 3.32 -1.88 0.24 116.42 119.90 3gbt h ASP 268 Ca -0.41 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.47 3gbt h ASP 268 Cb 1.25 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 3gbt h ASP 268 CO 0.71 0.28 -0.51 0.00 -1.72 0.00 0.00 179.24 178.01 3gbt s GLN 269 N -6.14 1.23 0.82 3.56 -2.07 -1.26 -3.99 119.66 111.81 3gbt s GLN 269 Ca -0.13 -1.50 -0.14 0.00 -1.82 0.00 0.00 55.36 51.77 3gbt s GLN 269 Cb 0.13 0.31 0.04 0.00 -1.09 0.00 0.00 33.01 32.40 3gbt s GLN 269 CO 0.73 -0.42 0.82 -2.30 -1.32 0.00 0.00 175.29 172.80 3gbt n PRO 270 N -0.26 0.09 -3.15 9.60 -0.02 -1.26 -4.71 135.00 135.28 3gbt n PRO 270 Ca -0.00 0.09 0.04 0.00 -2.02 0.00 0.00 63.50 61.61 3gbt n PRO 270 Cb 0.65 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3gbt n PRO 270 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gbt s LYS 271 N -3.62 0.44 0.33 -0.52 2.20 -1.26 -5.13 119.74 112.18 3gbt s LYS 271 Ca 0.67 0.71 0.08 0.00 -0.36 0.00 0.00 55.97 57.07 3gbt s LYS 271 Cb -0.29 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 3gbt s LYS 271 CO 0.57 -0.55 0.18 0.96 -0.36 0.00 0.00 175.35 176.14 3gbt s ILE 272 N 2.89 3.26 -0.23 5.43 -4.36 -1.26 -4.74 121.20 122.19 3gbt s ILE 272 Ca 0.14 -1.60 -0.08 0.00 -0.26 0.00 0.00 60.65 58.85 3gbt s ILE 272 Cb -0.12 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.50 3gbt s ILE 272 CO -0.19 -0.20 0.09 -0.62 0.24 0.00 0.00 174.94 174.26 3gbt s ASP 273 N -3.88 5.47 0.45 4.36 2.15 -1.26 -4.96 116.67 119.00 3gbt s ASP 273 Ca 0.38 -0.06 0.35 0.00 0.43 0.00 0.00 52.55 53.65 3gbt s ASP 273 Cb -0.04 -1.97 1.52 0.00 -0.30 0.00 0.00 42.92 42.13 3gbt s ASP 273 CO 0.24 0.04 1.55 -2.65 -0.17 0.00 0.00 175.17 174.18 3gbt n PRO 274 N 4.42 -0.03 0.00 4.34 -0.02 -1.26 0.10 135.00 142.55 3gbt n PRO 274 Ca -0.16 1.22 0.12 0.00 -2.02 0.00 0.00 63.50 62.66 3gbt n PRO 274 Cb 0.52 -2.46 0.11 0.00 -0.02 0.00 0.00 33.50 31.65 3gbt n PRO 274 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gbt n SER 275 N -4.58 2.27 -3.76 2.55 2.88 -1.26 -4.97 113.62 106.75 3gbt n SER 275 Ca 0.41 -1.64 -0.27 0.00 -1.33 0.00 0.00 58.87 56.03 3gbt n SER 275 Cb 1.63 0.23 0.05 0.00 -0.75 0.00 0.00 64.21 65.37 3gbt n SER 275 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gbt n ALA 276 N 0.45 -1.28 1.35 -1.46 0.00 0.28 -4.87 120.51 114.98 3gbt n ALA 276 Ca 0.12 0.29 0.14 0.00 0.00 0.00 0.00 53.44 53.99 3gbt n ALA 276 Cb 0.50 -4.95 0.52 0.00 0.00 0.00 0.00 19.45 15.52 3gbt n ALA 276 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gbt n SER 277 N -2.90 0.71 -3.93 0.00 3.41 -1.26 -4.85 113.62 104.79 3gbt n SER 277 Ca 0.03 -0.72 -0.10 0.00 -0.26 0.00 0.00 58.87 57.82 3gbt n SER 277 Cb 0.54 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 3gbt n SER 277 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3gbt s TYR 278 N -2.47 0.18 0.52 7.33 -0.85 -1.26 -4.70 117.35 116.10 3gbt s TYR 278 Ca 0.28 -0.41 -0.14 0.00 -0.52 0.00 0.00 57.07 56.27 3gbt s TYR 278 Cb 0.20 -0.13 -0.07 0.00 0.38 0.00 0.00 41.96 42.33 3gbt s TYR 278 CO 0.49 -0.29 0.96 -0.59 -1.52 0.00 0.00 175.55 174.59 3gbt s PHE 279 N -1.92 3.49 -0.37 -3.49 -0.12 0.24 -4.69 117.98 111.12 3gbt s PHE 279 Ca -0.11 1.35 0.01 0.00 -0.05 0.00 0.00 56.93 58.14 3gbt s PHE 279 Cb -0.05 -2.71 0.11 0.00 -0.63 0.00 0.00 43.02 39.73 3gbt s PHE 279 CO -0.02 -0.38 0.14 0.00 -0.05 0.00 0.00 175.22 174.91 3gbt s TYR 281 N 0.99 3.23 0.43 0.00 2.02 0.38 -4.29 117.35 120.10 3gbt s TYR 281 Ca 0.13 -0.73 -0.26 0.00 -0.37 0.00 0.00 57.07 55.84 3gbt s TYR 281 Cb -0.20 -2.45 -0.09 0.00 -0.40 0.00 0.00 41.96 38.82 3gbt s TYR 281 CO -0.13 -0.57 1.39 -2.14 -1.57 0.00 0.00 175.55 172.54 3gbt s PRO 282 N 1.61 3.84 -0.27 -1.71 0.02 -1.26 0.03 135.00 137.26 3gbt s PRO 282 Ca 0.04 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.28 3gbt s PRO 282 Cb -0.18 -2.73 -0.12 0.00 0.02 0.00 0.00 34.50 31.48 3gbt s PRO 282 CO 0.08 -0.67 -0.34 0.00 -0.33 0.00 0.00 177.00 175.74 3gbt n ALA 283 N 0.00 1.29 -3.00 -1.55 0.00 0.12 -3.54 120.51 113.83 3gbt n ALA 283 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3gbt n ALA 283 Cb 0.42 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3gbt n ALA 283 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gbt n ASP 284 N -4.15 0.00 0.24 0.00 5.68 -0.98 -4.32 116.55 113.03 3gbt n ASP 284 Ca -0.52 -0.38 0.12 0.00 -0.50 0.00 0.00 54.79 53.51 3gbt n ASP 284 Cb 0.88 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.46 3gbt n ASP 284 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3gbt h LYS 285 N 0.00 0.00 -0.11 0.11 1.79 -1.98 -3.02 116.57 113.37 3gbt h LYS 285 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gbt h LYS 285 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3gbt h LYS 285 CO 0.00 0.17 0.00 0.25 -1.08 0.00 0.00 179.45 178.79 3gbt n THR 286 N -3.48 1.24 -3.57 -0.16 -2.24 -1.26 -4.79 114.28 100.03 3gbt n THR 286 Ca -0.01 -1.27 -0.22 0.00 -2.27 0.00 0.00 64.05 60.28 3gbt n THR 286 Cb 0.33 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.73 3gbt n THR 286 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gbt s HIS 287 N -1.44 -0.02 -0.10 4.78 3.76 -1.14 -4.23 115.29 116.90 3gbt s HIS 287 Ca 0.14 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 3gbt s HIS 287 Cb 0.10 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.26 3gbt s HIS 287 CO 0.05 -0.53 -0.22 0.71 -0.85 0.00 0.00 174.74 173.90 3gbt s TYR 288 N 2.22 2.41 -0.38 1.40 1.51 0.07 0.12 117.35 124.71 3gbt s TYR 288 Ca 0.04 -0.98 -0.26 0.00 -1.01 0.00 0.00 57.07 54.86 3gbt s TYR 288 Cb -0.16 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3gbt s TYR 288 CO -0.10 -0.40 0.91 -1.17 -1.11 0.00 0.00 175.55 173.68 3gbt s LEU 289 N 0.38 4.01 -0.02 -1.29 2.96 0.10 -0.20 118.68 124.63 3gbt s LEU 289 Ca -0.18 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3gbt s LEU 289 Cb -0.18 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3gbt s LEU 289 CO 0.08 -0.88 0.16 -0.76 -1.32 0.00 0.00 176.35 173.64 3gbt s LEU 290 N 3.49 4.29 -0.05 -0.68 1.43 0.11 -0.47 118.68 126.81 3gbt s LEU 290 Ca 0.37 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.48 3gbt s LEU 290 Cb -0.12 -2.52 0.13 0.00 0.03 0.00 0.00 46.19 43.71 3gbt s LEU 290 CO 0.20 0.28 1.35 -0.83 0.23 0.00 0.00 176.35 177.57 3gbt s GLY 291 N -1.84 -0.41 -0.06 -3.19 0.00 -0.98 -0.87 107.32 99.97 3gbt s GLY 291 Ca 0.26 0.70 -0.01 0.00 0.00 0.00 0.00 44.72 45.67 3gbt s GLY 291 CO 0.17 1.03 -0.01 -0.32 0.00 0.00 0.00 173.10 173.97 3gbt s GLY 292 N -3.12 0.44 0.11 0.20 0.00 -0.41 -0.59 107.32 103.96 3gbt s GLY 292 Ca 0.17 -0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 3gbt s GLY 292 CO -0.05 0.93 1.07 2.56 0.00 0.00 0.00 173.10 177.61 3gbt s PRO 293 N 1.64 4.58 -0.23 2.90 0.05 -1.26 -1.92 135.00 140.76 3gbt s PRO 293 Ca -0.00 1.62 0.01 0.00 0.05 0.00 0.00 61.00 62.68 3gbt s PRO 293 Cb -0.13 -3.34 0.05 0.00 0.05 0.00 0.00 34.50 31.13 3gbt s PRO 293 CO -0.04 0.02 -0.09 0.08 0.05 0.00 0.00 177.00 177.03 3gbt s VAL 294 N 0.28 1.78 0.39 -0.36 1.01 -0.10 -1.79 120.40 121.60 3gbt s VAL 294 Ca 0.51 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3gbt s VAL 294 Cb -0.27 -1.93 0.23 0.00 0.00 0.00 0.00 36.38 34.41 3gbt s VAL 294 CO 0.31 0.02 2.00 0.78 0.00 0.00 0.00 175.10 178.21 3gbt h ASN 295 N 7.90 0.46 -2.32 3.32 2.35 -1.83 0.15 115.58 125.61 3gbt h ASN 295 Ca -0.22 -0.04 -0.79 0.00 -0.55 0.00 0.00 56.30 54.70 3gbt h ASN 295 Cb 1.07 -0.12 -0.23 0.00 0.05 0.00 0.00 38.32 39.09 3gbt h ASN 295 CO 0.45 0.41 1.26 0.59 -1.65 0.00 0.00 177.43 178.50 3gbt n ASN 296 N -4.40 6.04 0.00 5.81 3.02 -1.26 -4.26 115.26 120.21 3gbt n ASN 296 Ca 0.02 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 3gbt n ASN 296 Cb 0.13 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 3gbt n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gbt n GLY 297 N 1.78 0.52 0.31 7.41 0.00 -0.87 -4.75 105.19 109.59 3gbt n GLY 297 Ca 0.32 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.55 3gbt n GLY 297 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gbt h GLY 298 N 0.00 0.00 1.04 -0.02 0.00 0.16 -1.29 103.07 102.97 3gbt h GLY 298 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3gbt h GLY 298 CO 0.00 0.00 0.47 1.19 0.00 0.00 0.00 176.54 178.20 3gbt h ILE 299 N 0.00 1.01 0.03 2.60 2.10 -1.20 -0.08 117.51 121.97 3gbt h ILE 299 Ca 0.00 -0.25 -0.24 0.00 1.08 0.00 0.00 64.86 65.45 3gbt h ILE 299 Cb 0.15 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.11 3gbt h ILE 299 CO 0.00 0.13 -1.02 0.58 -1.08 0.00 0.00 178.15 176.77 3gbt h VAL 300 N 0.72 1.41 -0.71 2.19 2.07 -1.48 -2.38 116.25 118.08 3gbt h VAL 300 Ca 0.31 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3gbt h VAL 300 Cb 0.28 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 3gbt h VAL 300 CO -0.10 0.76 0.45 0.15 0.02 0.00 0.00 177.57 178.85 3gbt h PHE 301 N 0.20 0.92 -0.39 1.57 3.04 -1.31 -1.07 116.94 119.89 3gbt h PHE 301 Ca -0.10 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.75 3gbt h PHE 301 Cb 1.67 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.86 3gbt h PHE 301 CO 0.06 0.60 -0.21 -0.91 -2.02 0.00 0.00 178.31 175.83 3gbt h ASN 302 N 0.97 0.78 0.11 0.41 2.35 -1.00 0.22 115.58 119.41 3gbt h ASN 302 Ca 0.26 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3gbt h ASN 302 Cb -0.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3gbt h ASN 302 CO -0.05 0.97 -0.16 -0.25 -1.65 0.00 0.00 177.43 176.29 3gbt h TRP 303 N 0.67 -0.42 -0.23 1.19 7.01 -1.07 -2.60 115.95 120.52 3gbt h TRP 303 Ca 0.10 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.13 3gbt h TRP 303 Cb 0.71 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.91 3gbt h TRP 303 CO 0.04 -0.24 0.06 0.00 -2.79 0.00 0.00 178.44 175.51 3gbt h ALA 304 N 0.52 0.24 -0.95 2.65 0.00 -0.94 -0.34 119.26 120.44 3gbt h ALA 304 Ca 0.02 0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.26 3gbt h ALA 304 Cb 0.33 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.99 3gbt h ALA 304 CO -0.08 -0.36 0.25 -0.09 0.00 0.00 0.00 179.25 178.97 3gbt h ARG 305 N 0.15 0.10 0.03 0.00 2.43 -0.39 -0.56 114.38 116.14 3gbt h ARG 305 Ca 0.10 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.93 3gbt h ARG 305 Cb 0.09 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3gbt h ARG 305 CO -0.12 0.06 -1.84 0.94 -1.51 0.00 0.00 179.97 177.50 3gbt n GLN 306 N -5.32 0.62 0.07 0.20 7.27 -0.83 -2.83 117.38 116.57 3gbt n GLN 306 Ca 0.26 0.39 -0.07 0.00 0.07 0.00 0.00 57.00 57.66 3gbt n GLN 306 Cb 0.86 -1.66 -0.08 0.00 2.41 0.00 0.00 30.24 31.78 3gbt n GLN 306 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 3gbt h THR 307 N -0.65 1.67 0.02 1.69 1.35 -1.06 -2.88 112.91 113.04 3gbt h THR 307 Ca -0.47 -3.20 -0.21 0.00 -0.55 0.00 0.00 66.41 61.98 3gbt h THR 307 Cb 1.60 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 70.75 3gbt h THR 307 CO -0.18 0.92 -0.93 0.25 -0.25 0.00 0.00 175.52 175.33 3gbt h LEU 308 N 0.01 0.24 0.00 3.87 5.85 -1.28 -3.45 115.31 120.55 3gbt h LEU 308 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3gbt h LEU 308 Cb 1.67 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3gbt h LEU 308 CO 0.13 1.04 0.00 0.49 -0.34 0.00 0.00 178.44 179.76 3gbt n PHE 309 N -3.61 0.00 -3.77 1.25 3.01 -1.13 -5.07 117.46 108.14 3gbt n PHE 309 Ca -0.04 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.33 3gbt n PHE 309 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 3gbt n PHE 309 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gbt n ASP 310 N 0.00 -1.51 0.12 4.37 5.68 -1.09 -4.91 116.55 119.21 3gbt n ASP 310 Ca 0.00 -2.38 0.11 0.00 -0.50 0.00 0.00 54.79 52.02 3gbt n ASP 310 Cb 0.00 2.61 0.49 0.00 -1.14 0.00 0.00 41.12 43.08 3gbt n ASP 310 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gbt n ALA 311 N -1.10 1.50 -0.13 2.12 0.00 -1.26 -1.71 120.51 119.92 3gbt n ALA 311 Ca -0.12 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.51 3gbt n ALA 311 Cb 0.47 -1.35 0.29 0.00 0.00 0.00 0.00 19.45 18.87 3gbt n ALA 311 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gbt n ASP 312 N -2.17 3.67 -4.60 0.00 8.00 -1.26 -4.87 116.55 115.33 3gbt n ASP 312 Ca 0.01 -2.12 -0.43 0.00 0.71 0.00 0.00 54.79 52.97 3gbt n ASP 312 Cb 0.17 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3gbt n ASP 312 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3gbt s GLU 313 N -1.34 3.72 0.60 -1.24 2.56 -0.70 -5.02 118.70 117.29 3gbt s GLU 313 Ca 0.44 0.53 -0.17 0.00 0.00 0.00 0.00 54.97 55.77 3gbt s GLU 313 Cb 0.24 -3.89 -0.03 0.00 2.00 0.00 0.00 34.13 32.46 3gbt s GLU 313 CO 0.27 -1.28 1.11 0.95 -0.56 0.00 0.00 175.26 175.75 3gbt s THR 314 N 4.17 3.27 0.33 -1.70 -4.23 -1.26 -4.88 115.64 111.34 3gbt s THR 314 Ca 0.45 0.67 0.04 0.00 -1.18 0.00 0.00 61.69 61.67 3gbt s THR 314 Cb -0.08 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 70.84 3gbt s THR 314 CO 0.28 -0.28 1.91 -0.65 -0.54 0.00 0.00 174.62 175.34 3gbt h PRO 315 N 0.57 0.83 -0.56 3.99 0.11 -1.99 -1.34 132.00 133.61 3gbt h PRO 315 Ca -0.48 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 3gbt h PRO 315 Cb 1.25 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3gbt h PRO 315 CO 0.56 0.55 0.01 0.37 -0.21 0.00 0.00 178.00 179.28 3gbt h GLN 316 N 0.86 0.98 -0.49 1.05 5.75 -1.99 -0.74 115.11 120.53 3gbt h GLN 316 Ca 0.39 -0.31 0.08 0.00 -0.15 0.00 0.00 58.65 58.66 3gbt h GLN 316 Cb 0.38 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 3gbt h GLN 316 CO -0.16 0.98 0.12 -0.44 -2.65 0.00 0.00 178.83 176.68 3gbt h ASP 317 N 0.87 0.05 0.02 -0.69 3.32 -1.69 0.12 116.42 118.43 3gbt h ASP 317 Ca 0.16 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gbt h ASP 317 Cb 0.53 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3gbt h ASP 317 CO 0.03 0.05 -0.01 0.15 -1.72 0.00 0.00 179.24 177.74 3gbt h PHE 318 N 0.26 -0.03 -0.40 4.55 3.04 -1.02 -1.25 116.94 122.10 3gbt h PHE 318 Ca 0.24 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.24 3gbt h PHE 318 Cb 0.31 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.78 3gbt h PHE 318 CO -0.21 0.04 0.12 -0.07 -2.02 0.00 0.00 178.31 176.17 3gbt h LEU 319 N -0.09 0.11 -0.08 0.59 3.38 -0.75 0.12 115.31 118.58 3gbt h LEU 319 Ca -0.00 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3gbt h LEU 319 Cb 0.08 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3gbt h LEU 319 CO 0.01 0.09 -0.13 0.44 0.09 0.00 0.00 178.44 178.94 3gbt h ASP 320 N 0.27 -0.38 0.15 -0.43 3.32 -0.55 -0.10 116.42 118.70 3gbt h ASP 320 Ca 0.19 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3gbt h ASP 320 Cb 0.19 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3gbt h ASP 320 CO -0.21 -0.17 -0.12 0.58 -1.72 0.00 0.00 179.24 177.60 3gbt h VAL 321 N -0.17 0.74 -0.95 -1.35 2.07 -0.90 -2.18 116.25 113.50 3gbt h VAL 321 Ca 0.07 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.84 3gbt h VAL 321 Cb 0.28 0.74 -0.13 0.00 -1.52 0.00 0.00 31.29 30.66 3gbt h VAL 321 CO -0.19 0.00 0.49 0.00 0.02 0.00 0.00 177.57 177.90 3gbt h ALA 322 N 0.55 1.65 0.00 1.67 0.00 -0.52 0.12 119.26 122.74 3gbt h ALA 322 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3gbt h ALA 322 Cb 0.25 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gbt h ALA 322 CO -0.01 -0.35 -0.11 1.96 0.00 0.00 0.00 179.25 180.74 3gbt h GLN 323 N 0.46 0.00 0.00 0.00 4.20 -0.37 -2.17 115.11 117.23 3gbt h GLN 323 Ca 0.62 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.33 3gbt h GLN 323 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3gbt h GLN 323 CO -0.52 0.11 0.00 0.25 -0.67 0.00 0.00 178.83 178.00 3gbt n THR 324 N -3.41 0.48 -3.64 -0.54 -2.24 0.43 -4.69 114.28 100.67 3gbt n THR 324 Ca -0.01 0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 3gbt n THR 324 Cb 0.29 -0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 3gbt n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbt s ALA 325 N -2.68 3.79 0.69 6.98 0.00 -0.82 -4.99 121.76 124.72 3gbt s ALA 325 Ca 0.16 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 3gbt s ALA 325 Cb 0.13 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 21.17 3gbt s ALA 325 CO 0.31 0.51 1.10 -1.25 0.00 0.00 0.00 175.76 176.43 3gbt s PRO 326 N -3.08 2.70 0.10 0.00 0.04 -1.26 -4.90 135.00 128.60 3gbt s PRO 326 Ca 0.40 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 3gbt s PRO 326 Cb -0.11 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3gbt s PRO 326 CO 0.27 -1.32 1.79 0.00 0.04 0.00 0.00 177.00 177.79 3gbt s ALA 327 N -2.52 3.73 0.00 8.56 0.00 -1.26 -1.17 121.76 129.10 3gbt s ALA 327 Ca 0.65 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3gbt s ALA 327 Cb -0.19 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3gbt s ALA 327 CO 0.45 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3gbt n GLY 328 N 4.19 0.95 3.91 0.00 0.00 -1.26 -4.64 105.19 108.33 3gbt n GLY 328 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3gbt n GLY 328 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gbt n SER 329 N 0.00 -2.41 -4.24 1.61 7.64 -0.32 -0.73 113.62 115.17 3gbt n SER 329 Ca 0.00 -0.88 -0.33 0.00 1.01 0.00 0.00 58.87 58.67 3gbt n SER 329 Cb 0.00 -3.57 -0.06 0.00 -1.01 0.00 0.00 64.21 59.58 3gbt n SER 329 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gbt n ARG 330 N -4.45 -2.10 -1.17 1.43 1.74 -1.26 -1.06 116.66 109.79 3gbt n ARG 330 Ca -0.14 0.26 -0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3gbt n ARG 330 Cb 0.61 -4.43 -0.02 0.00 -1.02 0.00 0.00 32.46 27.59 3gbt n ARG 330 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3gbt n ASN 331 N -2.78 -4.23 -4.71 0.55 4.13 0.09 -5.00 115.26 103.31 3gbt n ASN 331 Ca -0.14 0.14 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 3gbt n ASN 331 Cb 0.60 -2.24 -0.03 0.00 -1.54 0.00 0.00 39.78 36.57 3gbt n ASN 331 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3gbt s LEU 332 N -1.30 4.35 -0.15 3.41 2.96 -0.22 -4.81 118.68 122.92 3gbt s LEU 332 Ca 0.00 1.87 -0.05 0.00 -0.22 0.00 0.00 54.13 55.73 3gbt s LEU 332 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 3gbt s LEU 332 CO 0.00 -0.43 0.04 -0.63 -1.32 0.00 0.00 176.35 174.01 3gbt s ILE 333 N 1.26 4.59 -0.25 6.68 -1.09 -0.41 -4.79 121.20 127.19 3gbt s ILE 333 Ca 0.56 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.88 3gbt s ILE 333 Cb -0.26 -3.02 0.06 0.00 -1.58 0.00 0.00 42.46 37.67 3gbt s ILE 333 CO 0.27 0.52 -0.05 0.12 -1.23 0.00 0.00 174.94 174.57 3gbt s PHE 334 N -0.08 2.70 -0.28 3.97 5.36 -1.26 -0.01 117.98 128.38 3gbt s PHE 334 Ca 0.05 -2.00 -0.28 0.00 -0.96 0.00 0.00 56.93 53.74 3gbt s PHE 334 Cb -0.12 -1.78 0.01 0.00 -0.34 0.00 0.00 43.02 40.79 3gbt s PHE 334 CO 0.01 -0.82 1.03 -0.51 -1.46 0.00 0.00 175.22 173.48 3gbt s LEU 335 N 1.29 4.01 -0.04 6.12 1.43 -0.14 -4.22 118.68 127.13 3gbt s LEU 335 Ca -0.05 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 3gbt s LEU 335 Cb -0.19 -3.50 0.22 0.00 0.03 0.00 0.00 46.19 42.74 3gbt s LEU 335 CO -0.07 -0.77 0.97 -0.81 0.23 0.00 0.00 176.35 175.90 3gbt n PRO 336 N 6.58 1.88 -0.57 1.29 -0.05 -1.26 -1.40 135.00 141.46 3gbt n PRO 336 Ca 0.11 -0.84 -0.05 0.00 -0.05 0.00 0.00 63.50 62.67 3gbt n PRO 336 Cb 0.47 -1.51 -0.07 0.00 -0.05 0.00 0.00 33.50 32.33 3gbt n PRO 336 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3gbt n TYR 337 N 0.15 0.00 -0.22 0.54 4.01 -1.26 -4.60 117.16 115.78 3gbt n TYR 337 Ca 0.08 -0.93 0.02 0.00 -0.16 0.00 0.00 57.90 56.90 3gbt n TYR 337 Cb 0.39 -0.93 0.13 0.00 -0.31 0.00 0.00 39.34 38.62 3gbt n TYR 337 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3gbt h LEU 338 N 4.51 0.26 -4.28 7.72 4.07 -1.84 -3.00 115.31 122.76 3gbt h LEU 338 Ca 0.08 0.09 -0.66 0.00 0.08 0.00 0.00 57.88 57.47 3gbt h LEU 338 Cb 0.94 0.06 -0.33 0.00 1.08 0.00 0.00 40.66 42.41 3gbt h LEU 338 CO 0.19 0.14 0.35 0.61 -1.08 0.00 0.00 178.44 178.64 3gbt n GLY 339 N -1.31 5.92 3.55 0.83 0.00 -1.26 -4.67 105.19 108.25 3gbt n GLY 339 Ca 0.11 -2.49 0.11 0.00 0.00 0.00 0.00 46.02 43.74 3gbt n GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbt n GLY 340 N -0.72 -1.34 3.46 -0.02 0.00 -1.11 -4.94 105.19 100.52 3gbt n GLY 340 Ca 0.53 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 3gbt n GLY 340 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gbt s GLU 341 N -1.27 0.64 0.00 1.61 2.56 0.56 -4.78 118.70 118.02 3gbt s GLU 341 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 54.97 55.77 3gbt s GLU 341 Cb 0.00 0.29 0.00 0.00 2.00 0.00 0.00 34.13 36.42 3gbt s GLU 341 CO 0.00 -0.09 0.00 0.54 -0.56 0.00 0.00 175.26 175.15 3gbt n ARG 342 N 2.94 0.00 -1.76 4.30 1.74 -1.26 0.07 116.66 122.68 3gbt n ARG 342 Ca -0.14 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.52 3gbt n ARG 342 Cb 0.56 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.00 3gbt n ARG 342 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gbt n ALA 343 N -3.00 2.36 1.04 7.54 0.00 -0.74 0.24 120.51 127.95 3gbt n ALA 343 Ca 0.00 0.35 0.11 0.00 0.00 0.00 0.00 53.44 53.90 3gbt n ALA 343 Cb 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 19.45 17.07 3gbt n ALA 343 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gbt n PRO 344 N 1.02 0.73 0.01 0.00 -0.04 -1.26 -4.49 135.00 130.97 3gbt n PRO 344 Ca 0.04 -0.57 0.11 0.00 -0.04 0.00 0.00 63.50 63.03 3gbt n PRO 344 Cb 0.38 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 3gbt n PRO 344 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3gbt n ILE 345 N -0.63 0.05 -4.06 0.52 -5.35 -0.48 -4.80 119.36 104.60 3gbt n ILE 345 Ca 0.08 -0.15 -0.45 0.00 -0.27 0.00 0.00 62.75 61.96 3gbt n ILE 345 Cb 0.40 0.55 0.02 0.00 -1.74 0.00 0.00 39.64 38.87 3gbt n ILE 345 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3gbt n TRP 346 N -1.76 -1.44 -3.69 4.28 7.02 0.67 -4.95 117.44 117.58 3gbt n TRP 346 Ca 0.02 0.13 -0.24 0.00 -1.02 0.00 0.00 57.50 56.39 3gbt n TRP 346 Cb 0.40 -2.76 -0.17 0.00 -2.42 0.00 0.00 31.31 26.36 3gbt n TRP 346 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3gbt s ASP 347 N -3.47 1.97 0.20 -0.99 -1.08 0.11 -4.97 116.67 108.44 3gbt s ASP 347 Ca 0.45 -0.35 0.24 0.00 -0.52 0.00 0.00 52.55 52.37 3gbt s ASP 347 Cb -0.25 -0.34 0.91 0.00 -1.46 0.00 0.00 42.92 41.79 3gbt s ASP 347 CO 0.97 -0.28 1.73 0.00 0.52 0.00 0.00 175.17 178.11 3gbt n ALA 348 N 5.21 1.92 1.03 3.66 0.00 -1.26 -0.32 120.51 130.75 3gbt n ALA 348 Ca -0.06 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3gbt n ALA 348 Cb 0.49 -1.41 0.11 0.00 0.00 0.00 0.00 19.45 18.64 3gbt n ALA 348 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gbt n ASN 349 N -2.13 0.91 -4.53 0.00 3.02 -1.26 -4.15 115.26 107.12 3gbt n ASN 349 Ca 0.04 -0.74 -0.38 0.00 -0.03 0.00 0.00 54.58 53.48 3gbt n ASN 349 Cb 0.30 0.53 0.05 0.00 -0.61 0.00 0.00 39.78 40.05 3gbt n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gbt n ALA 350 N -1.23 -0.67 -2.38 5.41 0.00 -1.16 -4.77 120.51 115.71 3gbt n ALA 350 Ca 0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 3gbt n ALA 350 Cb 0.35 -1.94 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 3gbt n ALA 350 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gbt s ARG 351 N -2.46 1.54 0.39 0.00 0.52 -1.14 -2.75 118.95 115.05 3gbt s ARG 351 Ca 0.72 -1.85 -0.13 0.00 -0.52 0.00 0.00 55.73 53.94 3gbt s ARG 351 Cb -0.42 -0.52 -0.08 0.00 0.52 0.00 0.00 34.95 34.46 3gbt s ARG 351 CO 0.52 -0.27 0.79 0.20 0.02 0.00 0.00 175.30 176.55 3gbt s GLY 352 N -3.40 2.10 0.00 -3.53 0.00 -1.16 -4.00 107.32 97.34 3gbt s GLY 352 Ca 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.00 3gbt s GLY 352 CO 0.15 0.14 0.03 -0.56 0.00 0.00 0.00 173.10 172.86 3gbt s SER 353 N -2.82 0.09 -0.30 1.64 0.01 -0.50 -4.94 113.70 106.88 3gbt s SER 353 Ca 0.53 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 57.50 3gbt s SER 353 Cb -0.10 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.25 3gbt s SER 353 CO 0.26 -0.20 0.11 -0.36 0.41 0.00 0.00 173.24 173.47 3gbt s PHE 354 N -0.84 3.16 -0.07 2.43 0.08 -1.26 -0.97 117.98 120.52 3gbt s PHE 354 Ca -0.09 -0.82 0.05 0.00 0.12 0.00 0.00 56.93 56.19 3gbt s PHE 354 Cb -0.06 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 3gbt s PHE 354 CO -0.00 -0.53 -0.24 0.08 -0.10 0.00 0.00 175.22 174.43 3gbt s VAL 355 N 1.55 1.98 0.00 -0.44 1.01 0.98 -4.72 120.40 120.76 3gbt s VAL 355 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3gbt s VAL 355 Cb -0.17 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.52 3gbt s VAL 355 CO 0.04 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3gbt n GLY 356 N 3.14 1.35 3.75 4.51 0.00 -1.26 -1.28 105.19 115.40 3gbt n GLY 356 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3gbt n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gbt s LEU 357 N 0.00 3.73 0.18 0.99 1.43 -1.26 -4.69 118.68 119.06 3gbt s LEU 357 Ca 0.00 2.50 -0.21 0.00 -1.03 0.00 0.00 54.13 55.40 3gbt s LEU 357 Cb 0.00 -4.49 0.05 0.00 0.03 0.00 0.00 46.19 41.78 3gbt s LEU 357 CO 0.00 -1.58 0.58 -0.89 0.23 0.00 0.00 176.35 174.69 3gbt s THR 358 N -1.49 0.01 -0.19 5.49 2.01 -1.26 -5.03 115.64 115.18 3gbt s THR 358 Ca 0.75 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 3gbt s THR 358 Cb -0.34 -1.29 -0.11 0.00 0.01 0.00 0.00 72.50 70.77 3gbt s THR 358 CO 0.38 -0.06 1.98 0.54 -0.69 0.00 0.00 174.62 176.77 3gbt n ARG 359 N -0.37 1.15 -0.11 4.92 1.74 -1.26 -4.73 116.66 118.00 3gbt n ARG 359 Ca -0.13 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.27 3gbt n ARG 359 Cb 0.63 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3gbt n ARG 359 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gbt n HIS 361 N 3.14 0.00 -3.19 -1.55 8.25 -1.26 -5.13 115.22 115.47 3gbt n HIS 361 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3gbt n HIS 361 Cb 0.36 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3gbt n HIS 361 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3gbt n GLN 362 N 1.34 1.54 -0.18 -0.41 6.02 -1.26 -4.95 117.38 119.48 3gbt n GLN 362 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3gbt n GLN 362 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 3gbt n GLN 362 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3gbt h LYS 363 N 0.00 0.20 -0.34 -1.09 1.63 -2.00 -1.94 116.57 113.03 3gbt h LYS 363 Ca 0.00 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 3gbt h LYS 363 Cb 0.00 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 3gbt h LYS 363 CO 0.00 0.13 0.01 -1.35 -3.45 0.00 0.00 179.45 174.79 3gbt h PRO 364 N 0.20 0.10 -0.28 1.90 0.11 -1.94 0.28 132.00 132.38 3gbt h PRO 364 Ca 0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3gbt h PRO 364 Cb 0.43 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3gbt h PRO 364 CO -0.41 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 177.84 3gbt n GLU 365 N -5.17 0.00 0.00 1.05 4.71 -0.73 -0.43 120.64 120.07 3gbt n GLU 365 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 3gbt n GLU 365 Cb 0.17 -1.01 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 3gbt n GLU 365 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gbt n ALA 367 N 0.52 0.00 -0.16 0.62 0.00 1.00 -1.36 120.51 121.12 3gbt n ALA 367 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3gbt n ALA 367 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gbt n ALA 367 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3gbt h ARG 368 N 0.00 0.99 -0.89 0.00 2.43 -0.96 -2.87 114.38 113.08 3gbt h ARG 368 Ca 0.00 -0.42 0.08 0.00 -0.81 0.00 0.00 59.98 58.83 3gbt h ARG 368 Cb 0.00 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 3gbt h ARG 368 CO 0.00 1.10 0.58 0.00 -1.51 0.00 0.00 179.97 180.13 3gbt h ALA 369 N 0.86 1.59 0.20 2.80 0.00 -1.46 0.34 119.26 123.60 3gbt h ALA 369 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gbt h ALA 369 Cb 0.79 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3gbt h ALA 369 CO 0.07 0.25 -0.42 0.28 0.00 0.00 0.00 179.25 179.42 3gbt h VAL 370 N 0.93 0.15 -0.70 0.00 2.07 -1.77 0.29 116.25 117.23 3gbt h VAL 370 Ca 0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 3gbt h VAL 370 Cb 0.32 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3gbt h VAL 370 CO -0.16 0.00 0.35 0.40 0.02 0.00 0.00 177.57 178.18 3gbt h ILE 371 N -0.71 1.23 -0.42 4.57 2.04 -1.29 0.47 117.51 123.40 3gbt h ILE 371 Ca 0.00 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 3gbt h ILE 371 Cb 0.70 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3gbt h ILE 371 CO -0.19 0.26 -0.01 -0.33 0.00 0.00 0.00 178.15 177.88 3gbt h GLU 372 N 0.97 0.68 0.22 2.37 5.08 -0.87 -1.56 114.58 121.47 3gbt h GLU 372 Ca 0.24 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3gbt h GLU 372 Cb 0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gbt h GLU 372 CO -0.03 0.70 -0.10 0.78 -1.00 0.00 0.00 179.01 179.36 3gbt h GLY 373 N 0.93 -0.30 -0.27 -3.84 0.00 0.44 0.74 103.07 100.77 3gbt h GLY 373 Ca 0.13 0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.70 3gbt h GLY 373 CO 0.02 -0.11 -0.13 -2.22 0.00 0.00 0.00 176.54 174.09 3gbt h ILE 374 N -0.62 0.37 -0.39 2.60 2.04 -0.91 0.16 117.51 120.76 3gbt h ILE 374 Ca -0.03 -0.01 -0.13 0.00 1.00 0.00 0.00 64.86 65.69 3gbt h ILE 374 Cb 0.45 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3gbt h ILE 374 CO 0.05 0.00 -0.29 0.40 0.00 0.00 0.00 178.15 178.31 3gbt h ILE 375 N 0.02 1.28 -0.76 -0.67 2.04 -1.07 -2.65 117.51 115.70 3gbt h ILE 375 Ca 0.32 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 3gbt h ILE 375 Cb 0.49 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3gbt h ILE 375 CO -0.65 0.48 0.40 -0.26 0.00 0.00 0.00 178.15 178.12 3gbt h PHE 376 N 0.71 1.06 -0.49 1.37 0.04 0.13 -0.08 116.94 119.68 3gbt h PHE 376 Ca 0.08 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3gbt h PHE 376 Cb 0.84 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3gbt h PHE 376 CO 0.05 0.75 0.29 -0.97 -0.60 0.00 0.00 178.31 177.84 3gbt h ASN 377 N 1.06 0.60 -0.85 2.17 -0.00 -0.90 0.26 115.58 117.91 3gbt h ASN 377 Ca 0.27 -0.06 -0.03 0.00 -0.00 0.00 0.00 56.30 56.47 3gbt h ASN 377 Cb 0.06 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 38.19 3gbt h ASN 377 CO -0.04 0.49 0.41 -0.07 -0.00 0.00 0.00 177.43 178.21 3gbt h LEU 378 N 0.66 1.12 -1.25 0.34 3.38 -1.10 -0.79 115.31 117.67 3gbt h LEU 378 Ca 0.18 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3gbt h LEU 378 Cb 0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3gbt h LEU 378 CO -0.03 0.94 -0.35 0.22 0.09 0.00 0.00 178.44 179.32 3gbt h TYR 379 N 1.22 0.05 -0.31 1.13 3.20 -0.61 -0.10 116.97 121.55 3gbt h TYR 379 Ca 0.29 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3gbt h TYR 379 Cb 0.12 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3gbt h TYR 379 CO 0.02 0.39 0.04 0.22 -1.64 0.00 0.00 178.16 177.18 3gbt h ASP 380 N 0.04 0.50 -0.19 -2.11 1.82 0.51 -0.32 116.42 116.67 3gbt h ASP 380 Ca 0.00 -0.27 -0.03 0.00 -0.39 0.00 0.00 57.03 56.34 3gbt h ASP 380 Cb 0.63 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 3gbt h ASP 380 CO 0.05 0.65 0.01 0.00 -1.61 0.00 0.00 179.24 178.33 3gbt h ALA 381 N 0.87 0.25 -0.98 -0.78 0.00 -0.89 -2.92 119.26 114.80 3gbt h ALA 381 Ca 0.09 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3gbt h ALA 381 Cb 0.37 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3gbt h ALA 381 CO 0.01 -0.04 0.63 0.00 0.00 0.00 0.00 179.25 179.84 3gbt h ALA 382 N 0.79 1.50 0.00 0.00 0.00 -0.94 -2.27 119.26 118.33 3gbt h ALA 382 Ca 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3gbt h ALA 382 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gbt h ALA 382 CO 0.01 0.30 -0.39 0.77 0.00 0.00 0.00 179.25 179.94 3gbt h SER 383 N 1.05 0.00 -0.58 0.00 0.02 -0.94 -2.03 113.55 111.06 3gbt h SER 383 Ca 0.46 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.34 3gbt h SER 383 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3gbt h SER 383 CO -0.21 0.39 0.12 0.78 -1.14 0.00 0.00 176.83 176.77 3gbt h ASN 384 N 0.00 0.93 -0.48 3.07 2.35 -1.22 -2.54 115.58 117.69 3gbt h ASN 384 Ca -0.00 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3gbt h ASN 384 Cb 0.74 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 3gbt h ASN 384 CO 0.05 0.92 0.18 -0.07 -1.65 0.00 0.00 177.43 176.86 3gbt h LEU 385 N 0.93 0.19 -2.98 1.61 4.07 -1.29 -3.30 115.31 114.54 3gbt h LEU 385 Ca 0.19 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.21 3gbt h LEU 385 Cb 0.37 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.15 3gbt h LEU 385 CO 0.01 0.14 0.00 2.30 -1.08 0.00 0.00 178.44 179.80 3gbt n ILE 386 N -5.00 1.31 -2.24 1.22 -6.64 -1.12 -4.93 119.36 101.97 3gbt n ILE 386 Ca 0.04 -1.21 -0.38 0.00 -1.77 0.00 0.00 62.75 59.43 3gbt n ILE 386 Cb 0.18 0.32 -0.02 0.00 -1.44 0.00 0.00 39.64 38.68 3gbt n ILE 386 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 3gbt s LYS 387 N -1.44 4.03 0.00 6.28 -2.85 -0.97 -1.86 119.74 122.92 3gbt s LYS 387 Ca 0.28 1.91 0.00 0.00 -1.00 0.00 0.00 55.97 57.16 3gbt s LYS 387 Cb 0.18 -2.69 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 3gbt s LYS 387 CO 0.14 -0.36 0.00 0.09 0.10 0.00 0.00 175.35 175.32 3gbt n ASN 388 N 0.07 -4.20 -4.02 0.03 4.13 -1.26 -4.97 115.26 105.04 3gbt n ASN 388 Ca 0.04 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.18 3gbt n ASN 388 Cb 0.46 -2.04 -0.09 0.00 -1.54 0.00 0.00 39.78 36.57 3gbt n ASN 388 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3gbt s THR 389 N -1.55 0.00 0.16 3.41 -4.23 -0.78 -5.14 115.64 107.52 3gbt s THR 389 Ca 0.00 -1.89 -0.30 0.00 -1.18 0.00 0.00 61.69 58.32 3gbt s THR 389 Cb 0.00 -2.46 -0.08 0.00 1.34 0.00 0.00 72.50 71.30 3gbt s THR 389 CO 0.00 0.00 1.22 -1.59 -0.54 0.00 0.00 174.62 173.71 3gbt s LYS 390 N -4.00 4.46 0.37 3.99 0.00 -1.26 -4.94 119.74 118.37 3gbt s LYS 390 Ca 0.36 1.89 -0.28 0.00 0.00 0.00 0.00 55.97 57.95 3gbt s LYS 390 Cb 0.05 -3.25 -0.11 0.00 0.00 0.00 0.00 37.83 34.51 3gbt s LYS 390 CO 0.14 -0.16 1.41 1.63 0.00 0.00 0.00 175.35 178.37 3gbt n LYS 391 N 2.87 2.44 -0.92 1.78 5.02 -1.26 -4.97 118.16 123.12 3gbt n LYS 391 Ca 0.06 0.86 -0.33 0.00 -2.02 0.00 0.00 58.31 56.88 3gbt n LYS 391 Cb 0.45 -2.55 0.14 0.00 -0.02 0.00 0.00 35.03 33.05 3gbt n LYS 391 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3gbt n PRO 392 N 0.41 -0.11 0.06 1.97 -0.04 -1.26 -4.93 135.00 131.11 3gbt n PRO 392 Ca 0.03 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 3gbt n PRO 392 Cb 0.38 -2.36 0.24 0.00 -0.04 0.00 0.00 33.50 31.72 3gbt n PRO 392 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3gbt n VAL 393 N -3.68 0.36 -3.46 0.52 0.24 0.48 -4.92 118.33 107.88 3gbt n VAL 393 Ca 0.12 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 3gbt n VAL 393 Cb 0.51 -0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.66 3gbt n VAL 393 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gbt s ALA 394 N -3.13 -1.69 -0.23 2.33 0.00 -1.26 -4.13 121.76 113.65 3gbt s ALA 394 Ca 0.08 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 3gbt s ALA 394 Cb 0.14 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 3gbt s ALA 394 CO 0.69 -0.74 0.01 0.42 0.00 0.00 0.00 175.76 176.14 3gbt s ILE 395 N -3.49 3.88 -0.39 0.00 -1.09 -0.14 -3.60 121.20 116.38 3gbt s ILE 395 Ca 0.03 -0.32 -0.22 0.00 -2.23 0.00 0.00 60.65 57.90 3gbt s ILE 395 Cb -0.01 -2.79 0.01 0.00 -1.58 0.00 0.00 42.46 38.10 3gbt s ILE 395 CO -0.11 0.39 0.72 0.20 -1.23 0.00 0.00 174.94 174.91 3gbt s ASN 396 N 1.42 6.45 -0.09 3.58 0.02 -0.06 -0.44 114.94 125.83 3gbt s ASN 396 Ca 0.05 0.10 0.01 0.00 -1.02 0.00 0.00 52.86 52.00 3gbt s ASN 396 Cb -0.15 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.73 3gbt s ASN 396 CO 0.01 -0.74 -0.09 0.00 0.02 0.00 0.00 177.10 176.30 3gbt s ALA 397 N 2.99 2.84 0.25 0.60 0.00 0.98 -1.29 121.76 128.12 3gbt s ALA 397 Ca 0.28 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 3gbt s ALA 397 Cb -0.13 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3gbt s ALA 397 CO 0.18 0.46 0.32 0.95 0.00 0.00 0.00 175.76 177.66 3gbt s THR 398 N -0.40 0.00 0.00 0.00 -4.23 -0.53 -4.44 115.64 106.03 3gbt s THR 398 Ca 0.05 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3gbt s THR 398 Cb -0.12 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.31 3gbt s THR 398 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3gbt n GLY 399 N -0.38 3.22 0.28 3.99 0.00 -1.26 -0.87 105.19 110.18 3gbt n GLY 399 Ca 0.01 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.57 3gbt n GLY 399 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gbt h GLY 400 N 0.00 0.00 2.00 -0.02 0.00 -1.84 -1.22 103.07 101.99 3gbt h GLY 400 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3gbt h GLY 400 CO 0.00 0.00 -0.19 -2.75 0.00 0.00 0.00 176.54 173.60 3gbt h PHE 401 N 0.00 0.00 -0.57 5.60 3.57 -1.42 -2.87 116.94 121.25 3gbt h PHE 401 Ca -0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3gbt h PHE 401 Cb 0.06 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 3gbt h PHE 401 CO 0.00 0.19 0.15 1.28 -2.23 0.00 0.00 178.31 177.70 3gbt n LEU 402 N -3.90 5.25 0.04 0.59 4.32 -0.46 -4.47 117.00 118.37 3gbt n LEU 402 Ca -0.02 -2.70 -0.08 0.00 -0.02 0.00 0.00 56.01 53.19 3gbt n LEU 402 Cb 0.28 -0.69 0.07 0.00 -1.62 0.00 0.00 43.42 41.46 3gbt n LEU 402 CO 0.34 0.67 0.45 0.50 -1.22 0.00 0.00 177.39 178.12 3gbt h LYS 403 N 2.65 0.41 -6.77 3.23 3.64 -1.56 -3.42 116.57 114.74 3gbt h LYS 403 Ca 0.14 -0.28 -0.49 0.00 -1.27 0.00 0.00 60.65 58.75 3gbt h LYS 403 Cb 1.95 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.79 3gbt h LYS 403 CO 0.55 0.90 0.23 -1.54 -2.27 0.00 0.00 179.45 177.31 3gbt s SER 404 N -6.93 7.13 0.24 4.20 1.04 -1.26 -4.96 113.70 113.17 3gbt s SER 404 Ca -0.06 1.61 -0.05 0.00 0.48 0.00 0.00 55.95 57.93 3gbt s SER 404 Cb 0.11 -2.49 0.34 0.00 0.10 0.00 0.00 66.02 64.08 3gbt s SER 404 CO 0.83 -0.07 1.85 0.44 0.98 0.00 0.00 173.24 177.26 3gbt h ASP 405 N 3.04 0.82 -0.17 7.02 3.32 -1.99 -1.39 116.42 127.07 3gbt h ASP 405 Ca -0.48 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.63 3gbt h ASP 405 Cb 1.19 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 3gbt h ASP 405 CO 0.65 0.52 -0.07 0.15 -1.72 0.00 0.00 179.24 178.76 3gbt h PHE 406 N 0.95 -0.16 -0.27 4.55 3.57 -1.97 0.37 116.94 123.97 3gbt h PHE 406 Ca 0.38 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.79 3gbt h PHE 406 Cb 0.19 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3gbt h PHE 406 CO -0.04 -0.11 -0.25 0.28 -2.23 0.00 0.00 178.31 175.96 3gbt h VAL 407 N -0.05 1.27 -0.45 1.41 2.07 -1.80 0.58 116.25 119.28 3gbt h VAL 407 Ca 0.09 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 3gbt h VAL 407 Cb 0.18 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3gbt h VAL 407 CO -0.20 0.41 0.10 0.03 0.02 0.00 0.00 177.57 177.93 3gbt h ARG 408 N 0.47 0.73 -0.25 1.57 3.08 -0.69 0.01 114.38 119.30 3gbt h ARG 408 Ca 0.07 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 3gbt h ARG 408 Cb 0.68 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3gbt h ARG 408 CO 0.05 0.74 -0.43 0.37 -1.07 0.00 0.00 179.97 179.63 3gbt h GLN 409 N 0.61 0.63 -0.45 0.04 5.75 -0.00 -2.15 115.11 119.54 3gbt h GLN 409 Ca 0.14 -0.34 -0.09 0.00 -0.15 0.00 0.00 58.65 58.21 3gbt h GLN 409 Cb 0.34 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3gbt h GLN 409 CO 0.00 0.94 -0.09 1.25 -2.65 0.00 0.00 178.83 178.29 3gbt h LEU 410 N 0.51 0.77 -0.52 -2.39 7.12 -0.64 -0.38 115.31 119.78 3gbt h LEU 410 Ca 0.04 -0.22 -0.06 0.00 0.13 0.00 0.00 57.88 57.76 3gbt h LEU 410 Cb 0.96 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.86 3gbt h LEU 410 CO 0.09 0.89 0.09 0.00 -0.13 0.00 0.00 178.44 179.38 3gbt h ALA 412 N 0.98 -0.17 -0.99 0.00 0.00 -1.02 0.13 119.26 118.19 3gbt h ALA 412 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gbt h ALA 412 Cb 0.39 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3gbt h ALA 412 CO 0.01 -0.59 0.66 -0.91 0.00 0.00 0.00 179.25 178.41 3gbt h ASN 413 N -0.18 1.12 0.06 0.00 2.35 -0.88 0.79 115.58 118.85 3gbt h ASN 413 Ca -0.02 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3gbt h ASN 413 Cb 0.14 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3gbt h ASN 413 CO 0.03 0.80 -0.03 0.40 -1.65 0.00 0.00 177.43 176.98 3gbt h ILE 414 N 1.32 1.26 0.00 2.81 2.04 -0.69 -3.30 117.51 120.96 3gbt h ILE 414 Ca 0.37 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3gbt h ILE 414 Cb -0.11 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3gbt h ILE 414 CO -0.09 0.34 -0.11 -0.26 0.00 0.00 0.00 178.15 178.02 3gbt h PHE 415 N -0.75 0.00 -5.53 1.37 0.04 -0.68 -3.46 116.94 107.93 3gbt h PHE 415 Ca -0.01 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.34 3gbt h PHE 415 Cb 0.62 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 3gbt h PHE 415 CO 0.13 0.11 -0.64 -1.71 -0.60 0.00 0.00 178.31 175.60 3gbt n ASN 416 N -3.35 -4.75 -4.11 2.17 5.15 0.28 -5.00 115.26 105.65 3gbt n ASN 416 Ca -0.01 -0.50 -0.09 0.00 -0.60 0.00 0.00 54.58 53.38 3gbt n ASN 416 Cb 0.31 -3.84 -0.10 0.00 -0.53 0.00 0.00 39.78 35.61 3gbt n ASN 416 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3gbt s VAL 417 N -3.13 0.41 0.58 3.44 -7.23 -1.22 -4.95 120.40 108.31 3gbt s VAL 417 Ca 0.48 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.66 3gbt s VAL 417 Cb -0.24 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3gbt s VAL 417 CO 0.59 -0.91 1.26 -2.84 -0.31 0.00 0.00 175.10 172.89 3gbt s PRO 418 N -3.69 3.01 -0.22 4.82 0.02 -1.26 -4.52 135.00 133.16 3gbt s PRO 418 Ca 0.07 1.97 -0.05 0.00 0.02 0.00 0.00 61.00 63.01 3gbt s PRO 418 Cb 0.05 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 3gbt s PRO 418 CO -0.07 -1.22 0.01 0.42 -0.33 0.00 0.00 177.00 175.81 3gbt s ILE 419 N -1.47 3.84 -0.32 2.83 -1.09 0.15 -0.96 121.20 124.18 3gbt s ILE 419 Ca 0.76 -0.34 -0.07 0.00 -2.23 0.00 0.00 60.65 58.76 3gbt s ILE 419 Cb -0.34 -2.76 0.02 0.00 -1.58 0.00 0.00 42.46 37.80 3gbt s ILE 419 CO 0.38 0.40 0.11 -0.69 -1.23 0.00 0.00 174.94 173.91 3gbt s VAL 420 N 1.38 4.04 0.00 2.92 1.01 0.42 0.38 120.40 130.55 3gbt s VAL 420 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3gbt s VAL 420 Cb -0.15 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3gbt s VAL 420 CO 0.00 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.42 3gbt n THR 421 N 4.88 0.00 -0.05 3.92 -2.24 0.10 -0.02 114.28 120.87 3gbt n THR 421 Ca -0.14 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 3gbt n THR 421 Cb 0.47 -1.80 -0.06 0.00 -2.10 0.00 0.00 70.33 66.84 3gbt n THR 421 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gbt n LYS 423 N -0.50 1.28 -3.86 -0.78 5.02 -0.24 0.12 118.16 119.20 3gbt n LYS 423 Ca 0.00 0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 55.97 3gbt n LYS 423 Cb 0.00 -1.23 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 3gbt n LYS 423 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3gbt s GLU 424 N -2.23 2.85 0.22 1.97 2.56 -1.26 -4.98 118.70 117.83 3gbt s GLU 424 Ca -0.11 -1.00 0.05 0.00 0.00 0.00 0.00 54.97 53.92 3gbt s GLU 424 Cb 0.03 -3.20 0.18 0.00 2.00 0.00 0.00 34.13 33.14 3gbt s GLU 424 CO 0.31 -0.47 1.50 1.96 -0.56 0.00 0.00 175.26 178.00 3gbt h GLN 425 N 8.11 0.16 -3.56 4.30 1.08 -1.97 -3.36 115.11 119.86 3gbt h GLN 425 Ca -0.30 -0.13 -0.67 0.00 -1.45 0.00 0.00 58.65 56.10 3gbt h GLN 425 Cb 1.11 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 3gbt h GLN 425 CO 0.58 0.80 3.38 1.04 -0.95 0.00 0.00 178.83 183.69 3gbt n GLN 426 N -3.77 3.11 0.09 1.46 1.13 -1.26 -4.72 117.38 113.43 3gbt n GLN 426 Ca -0.02 -2.32 0.04 0.00 -1.94 0.00 0.00 57.00 52.75 3gbt n GLN 426 Cb 0.69 -3.01 0.44 0.00 0.11 0.00 0.00 30.24 28.47 3gbt n GLN 426 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3gbt h SER 427 N 5.68 0.29 0.06 1.08 4.64 -1.83 -2.90 113.55 120.57 3gbt h SER 427 Ca 0.69 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.98 3gbt h SER 427 Cb 0.46 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3gbt h SER 427 CO 1.83 0.31 -0.03 1.23 -0.87 0.00 0.00 176.83 179.30 3gbt h GLY 428 N 0.54 -0.09 1.88 -0.77 0.00 -1.85 -0.43 103.07 102.36 3gbt h GLY 428 Ca 0.08 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 3gbt h GLY 428 CO -0.00 -0.03 -0.42 -0.91 0.00 0.00 0.00 176.54 175.18 3gbt h THR 429 N -0.49 1.31 0.13 4.70 1.35 -1.90 -1.00 112.91 117.01 3gbt h THR 429 Ca -0.01 -1.50 -0.01 0.00 -0.55 0.00 0.00 66.41 64.35 3gbt h THR 429 Cb 0.43 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3gbt h THR 429 CO 0.01 0.44 -0.06 0.25 -0.25 0.00 0.00 175.52 175.91 3gbt h LEU 430 N 0.11 -0.14 -1.50 3.87 5.85 -1.47 -2.96 115.31 119.07 3gbt h LEU 430 Ca 0.01 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3gbt h LEU 430 Cb 0.79 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3gbt h LEU 430 CO 0.06 0.11 -0.26 0.00 -0.34 0.00 0.00 178.44 178.01 3gbt h ALA 431 N 0.44 1.40 0.00 1.25 0.00 -1.00 0.16 119.26 121.52 3gbt h ALA 431 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gbt h ALA 431 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gbt h ALA 431 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3gbt n ALA 432 N -2.41 1.75 0.00 0.00 0.00 -0.39 -1.69 120.51 117.77 3gbt n ALA 432 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gbt n ALA 432 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3gbt n ALA 432 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gbt n PHE 434 N 0.56 0.00 -0.26 0.00 7.35 0.04 -2.31 117.46 122.85 3gbt n PHE 434 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 3gbt n PHE 434 Cb 0.15 0.00 0.15 0.00 0.35 0.00 0.00 39.48 40.13 3gbt n PHE 434 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3gbt h LEU 435 N 0.00 0.51 -0.28 -2.13 4.07 -1.60 -0.56 115.31 115.32 3gbt h LEU 435 Ca 0.00 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.03 3gbt h LEU 435 Cb 0.00 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 3gbt h LEU 435 CO 0.00 0.29 0.18 0.00 -1.08 0.00 0.00 178.44 177.82 3gbt h ALA 436 N 1.44 0.35 -0.52 1.53 0.00 -1.75 0.37 119.26 120.68 3gbt h ALA 436 Ca 0.37 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.34 3gbt h ALA 436 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3gbt h ALA 436 CO -0.27 -0.19 0.35 0.00 0.00 0.00 0.00 179.25 179.14 3gbt h ARG 437 N 0.36 0.39 0.06 0.00 2.47 -1.56 0.42 114.38 116.52 3gbt h ARG 437 Ca 0.11 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3gbt h ARG 437 Cb -0.02 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 3gbt h ARG 437 CO -0.04 0.26 -0.03 1.96 0.56 0.00 0.00 179.97 182.69 3gbt h GLN 438 N 0.40 -0.07 -0.67 0.04 4.20 -0.31 0.96 115.11 119.66 3gbt h GLN 438 Ca 0.23 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.03 3gbt h GLN 438 Cb 0.39 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.12 3gbt h GLN 438 CO -0.06 0.42 0.31 0.00 -0.67 0.00 0.00 178.83 178.83 3gbt h ALA 439 N 0.27 0.90 0.00 3.87 0.00 -0.01 0.53 119.26 124.82 3gbt h ALA 439 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gbt h ALA 439 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gbt h ALA 439 CO 0.01 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3gbt n LEU 440 N -4.90 0.00 -0.66 0.00 4.32 0.14 -4.88 117.00 111.02 3gbt n LEU 440 Ca 0.10 0.07 -0.09 0.00 -0.02 0.00 0.00 56.01 56.07 3gbt n LEU 440 Cb 0.26 -0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 41.95 3gbt n LEU 440 CO 0.24 -0.02 -0.08 0.61 -1.22 0.00 0.00 177.39 176.92 3gbt n GLY 441 N 0.35 1.01 0.14 -0.72 0.00 0.18 -4.89 105.19 101.25 3gbt n GLY 441 Ca 0.14 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.89 3gbt n GLY 441 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gbt h LEU 442 N 0.00 0.00 -7.45 0.99 3.38 0.71 -3.46 115.31 109.48 3gbt h LEU 442 Ca -0.18 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 3gbt h LEU 442 Cb 0.68 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.22 3gbt h LEU 442 CO 0.26 0.01 -0.26 0.20 0.09 0.00 0.00 178.44 178.73 3gbt s ASN 443 N -5.01 -0.26 0.00 -0.43 -0.87 -0.71 -4.94 114.94 102.72 3gbt s ASN 443 Ca 0.09 0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.66 3gbt s ASN 443 Cb 0.10 0.43 0.00 0.00 -0.02 0.00 0.00 41.25 41.77 3gbt s ASN 443 CO 0.63 -0.37 0.00 1.67 -2.57 0.00 0.00 177.10 176.47 3gbt n GLN 444 N 1.69 0.00 -2.61 -0.60 7.27 -1.26 -4.13 117.38 117.74 3gbt n GLN 444 Ca -0.19 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.55 3gbt n GLN 444 Cb 0.56 -0.04 -0.05 0.00 2.41 0.00 0.00 30.24 33.13 3gbt n GLN 444 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3gbt s ASP 445 N -0.91 6.63 0.32 1.69 2.15 -1.26 -4.95 116.67 120.34 3gbt s ASP 445 Ca 0.00 1.75 0.02 0.00 0.43 0.00 0.00 52.55 54.75 3gbt s ASP 445 Cb 0.00 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.68 3gbt s ASP 445 CO 0.00 -0.58 1.94 0.25 -0.17 0.00 0.00 175.17 176.61 3gbt h LEU 446 N 1.54 0.82 -1.92 -1.34 6.46 -2.02 -1.74 115.31 117.11 3gbt h LEU 446 Ca -0.49 0.00 0.19 0.00 -0.12 0.00 0.00 57.88 57.46 3gbt h LEU 446 Cb 1.20 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.92 3gbt h LEU 446 CO 0.60 0.54 0.58 0.77 -0.62 0.00 0.00 178.44 180.31 3gbt h SER 447 N 0.94 0.00 0.53 1.25 4.64 -1.98 0.16 113.55 119.09 3gbt h SER 447 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3gbt h SER 447 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3gbt h SER 447 CO -0.12 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.51 3gbt h GLU 448 N 0.00 0.00 0.00 4.77 5.08 -1.70 -2.26 114.58 120.47 3gbt h GLU 448 Ca 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3gbt h GLU 448 Cb 1.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 3gbt h GLU 448 CO -0.00 0.00 -0.00 0.97 -1.00 0.00 0.00 179.01 178.98 3gbt h ILE 449 N 0.00 0.00 -0.21 3.13 2.10 -0.85 -1.93 117.51 119.75 3gbt h ILE 449 Ca 0.00 -0.17 0.06 0.00 1.08 0.00 0.00 64.86 65.83 3gbt h ILE 449 Cb 0.26 1.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 3gbt h ILE 449 CO 0.00 0.00 0.25 1.23 -1.08 0.00 0.00 178.15 178.55 3gbt h GLY 450 N 0.69 0.00 1.75 8.18 0.00 -1.60 -0.17 103.07 111.92 3gbt h GLY 450 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3gbt h GLY 450 CO 0.00 0.00 -0.20 -1.61 0.00 0.00 0.00 176.54 174.73 3gbt h GLN 451 N 0.00 0.30 0.02 4.80 5.75 -1.58 -3.27 115.11 121.13 3gbt h GLN 451 Ca 0.10 -0.09 -0.38 0.00 -0.15 0.00 0.00 58.65 58.13 3gbt h GLN 451 Cb 0.59 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.05 3gbt h GLN 451 CO -0.00 0.50 -2.37 1.19 -2.65 0.00 0.00 178.83 175.50 3gbt n PHE 452 N -4.19 0.22 -2.85 3.99 3.72 -0.24 -4.70 117.46 113.41 3gbt n PHE 452 Ca -0.01 0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3gbt n PHE 452 Cb 0.34 -1.03 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 3gbt n PHE 452 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gbt s ALA 453 N -2.52 3.22 0.12 4.37 0.00 -0.28 -4.92 121.76 121.75 3gbt s ALA 453 Ca -0.29 -2.61 -0.07 0.00 0.00 0.00 0.00 51.96 49.00 3gbt s ALA 453 Cb 0.08 -4.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.01 3gbt s ALA 453 CO 0.67 -3.09 0.39 -0.65 0.00 0.00 0.00 175.76 173.07 3gbt s GLN 454 N 3.22 3.67 0.45 0.00 -1.52 -1.26 -4.67 119.66 119.56 3gbt s GLN 454 Ca 0.35 0.02 -0.21 0.00 -1.95 0.00 0.00 55.36 53.57 3gbt s GLN 454 Cb -0.05 -2.89 -0.10 0.00 -0.22 0.00 0.00 33.01 29.75 3gbt s GLN 454 CO -0.08 0.49 0.99 0.00 -0.25 0.00 0.00 175.29 176.44 3gbt s ALA 455 N -1.57 2.97 0.00 6.09 0.00 -1.26 -1.08 121.76 126.90 3gbt s ALA 455 Ca 0.38 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3gbt s ALA 455 Cb -0.13 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3gbt s ALA 455 CO 0.22 -0.07 0.00 -3.47 0.00 0.00 0.00 175.76 172.44 3gbt n ASP 456 N -0.78 0.00 -4.45 0.00 2.03 0.32 -4.54 116.55 109.13 3gbt n ASP 456 Ca 0.08 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.10 3gbt n ASP 456 Cb 0.53 -0.14 -0.12 0.00 -0.72 0.00 0.00 41.12 40.67 3gbt n ASP 456 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3gbt s LYS 457 N -0.66 1.72 -0.08 -0.67 3.01 -1.18 -4.96 119.74 116.90 3gbt s LYS 457 Ca 0.00 -1.20 0.03 0.00 -1.01 0.00 0.00 55.97 53.79 3gbt s LYS 457 Cb 0.00 -2.06 -0.02 0.00 -1.01 0.00 0.00 37.83 34.74 3gbt s LYS 457 CO 0.00 0.48 -0.16 0.08 0.51 0.00 0.00 175.35 176.26 3gbt s VAL 458 N -1.08 2.89 -0.15 3.17 1.01 -1.26 0.02 120.40 125.00 3gbt s VAL 458 Ca 0.16 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3gbt s VAL 458 Cb -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3gbt s VAL 458 CO 0.08 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.26 3gbt s TYR 459 N -0.22 2.74 -0.02 5.22 2.02 0.16 -4.95 117.35 122.30 3gbt s TYR 459 Ca 0.00 -1.11 -0.02 0.00 -0.37 0.00 0.00 57.07 55.57 3gbt s TYR 459 Cb -0.13 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 3gbt s TYR 459 CO 0.03 -0.50 0.10 -0.06 -1.57 0.00 0.00 175.55 173.55 3gbt s PHE 460 N 0.79 3.36 0.28 2.71 0.40 -1.26 0.34 117.98 124.60 3gbt s PHE 460 Ca -0.06 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.24 3gbt s PHE 460 Cb -0.15 -1.78 -0.12 0.00 0.51 0.00 0.00 43.02 41.47 3gbt s PHE 460 CO -0.00 0.59 1.47 -2.30 0.70 0.00 0.00 175.22 175.67 3gbt n PRO 461 N 1.29 2.35 -2.88 0.24 -0.02 -1.26 -4.81 135.00 129.91 3gbt n PRO 461 Ca -0.14 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 3gbt n PRO 461 Cb 0.53 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 3gbt n PRO 461 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3gbt s ASN 462 N 0.26 6.69 0.28 2.55 3.84 -1.26 -4.97 114.94 122.32 3gbt s ASN 462 Ca 0.64 0.66 0.01 0.00 0.21 0.00 0.00 52.86 54.37 3gbt s ASN 462 Cb -0.57 -2.43 0.59 0.00 -0.55 0.00 0.00 41.25 38.29 3gbt s ASN 462 CO 0.52 -0.71 1.77 -0.65 -2.79 0.00 0.00 177.10 175.24 3gbt h PRO 463 N 8.22 0.67 0.10 0.43 0.11 -1.98 0.16 132.00 139.72 3gbt h PRO 463 Ca -0.24 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3gbt h PRO 463 Cb 1.09 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3gbt h PRO 463 CO 0.92 0.45 -0.05 0.87 -0.21 0.00 0.00 178.00 179.98 3gbt h LYS 464 N 0.69 -0.13 -0.76 1.05 1.79 -1.99 -1.80 116.57 115.42 3gbt h LYS 464 Ca 0.50 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.97 3gbt h LYS 464 Cb 0.71 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 3gbt h LYS 464 CO -0.36 0.28 0.44 0.93 -1.08 0.00 0.00 179.45 179.67 3gbt h GLU 465 N -0.60 1.04 -0.61 3.15 5.08 -1.88 -0.62 114.58 120.15 3gbt h GLU 465 Ca -0.01 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3gbt h GLU 465 Cb 0.48 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3gbt h GLU 465 CO 0.02 0.75 0.25 0.00 -1.00 0.00 0.00 179.01 179.03 3gbt h ALA 466 N 1.23 0.79 -0.46 3.43 0.00 -0.67 0.23 119.26 123.82 3gbt h ALA 466 Ca 0.27 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3gbt h ALA 466 Cb -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gbt h ALA 466 CO -0.05 -0.15 0.29 0.00 0.00 0.00 0.00 179.25 179.34 3gbt h ALA 467 N 1.40 0.58 -0.45 0.00 0.00 -0.92 0.26 119.26 120.14 3gbt h ALA 467 Ca 0.30 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3gbt h ALA 467 Cb 0.34 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3gbt h ALA 467 CO -0.28 0.05 0.06 1.15 0.00 0.00 0.00 179.25 180.23 3gbt h THR 468 N 0.61 0.72 0.00 0.00 2.02 0.60 -1.65 112.91 115.21 3gbt h THR 468 Ca 0.17 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 3gbt h THR 468 Cb -0.04 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3gbt h THR 468 CO -0.03 0.03 -0.63 1.88 0.37 0.00 0.00 175.52 177.14 3gbt h TYR 469 N 0.18 0.00 -0.01 3.16 0.05 -0.37 -1.03 116.97 118.95 3gbt h TYR 469 Ca 0.22 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.90 3gbt h TYR 469 Cb 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3gbt h TYR 469 CO -0.24 0.63 -0.49 0.37 -1.05 0.00 0.00 178.16 177.38 3gbt h GLN 470 N 0.00 0.03 0.00 4.88 4.15 -0.60 0.17 115.11 123.73 3gbt h GLN 470 Ca -0.01 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 3gbt h GLN 470 Cb 1.21 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 3gbt h GLN 470 CO 0.08 0.51 -0.99 -0.22 -1.93 0.00 0.00 178.83 176.28 3gbt h LYS 471 N 0.02 0.00 0.00 1.69 3.64 -1.02 -3.35 116.57 117.55 3gbt h LYS 471 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3gbt h LYS 471 Cb 0.88 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3gbt h LYS 471 CO 0.07 0.63 -1.03 1.25 -2.27 0.00 0.00 179.45 178.10 3gbt h LEU 472 N 0.00 0.00 -0.32 5.20 5.85 -0.76 -3.37 115.31 121.92 3gbt h LEU 472 Ca -0.07 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3gbt h LEU 472 Cb 1.63 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 3gbt h LEU 472 CO 0.09 0.33 0.19 0.15 -0.34 0.00 0.00 178.44 178.86 3gbt h PHE 473 N 0.00 0.35 -0.20 1.25 3.57 -0.81 -2.19 116.94 118.92 3gbt h PHE 473 Ca -0.07 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.49 3gbt h PHE 473 Cb 1.32 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3gbt h PHE 473 CO 0.00 0.21 0.16 -1.35 -2.23 0.00 0.00 178.31 175.10 3gbt h PRO 474 N 0.39 0.00 -0.18 6.41 0.11 -1.77 0.56 132.00 137.52 3gbt h PRO 474 Ca 0.12 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 3gbt h PRO 474 Cb -0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.11 3gbt h PRO 474 CO -0.06 0.00 -0.75 1.25 -0.21 0.00 0.00 178.00 178.24 3gbt h LEU 475 N 0.00 0.96 -0.70 2.35 5.85 -1.63 -0.18 115.31 121.96 3gbt h LEU 475 Ca 0.09 -0.61 0.08 0.00 0.84 0.00 0.00 57.88 58.28 3gbt h LEU 475 Cb 0.40 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3gbt h LEU 475 CO -0.00 1.41 0.37 0.22 -0.34 0.00 0.00 178.44 180.10 3gbt h TYR 476 N 0.57 0.67 -0.06 1.25 3.20 -0.36 -1.15 116.97 121.08 3gbt h TYR 476 Ca -0.04 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 3gbt h TYR 476 Cb 1.37 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 3gbt h TYR 476 CO 0.08 0.28 -0.65 0.00 -1.64 0.00 0.00 178.16 176.24 3gbt h GLU 478 N 0.17 -0.34 -0.62 0.00 4.39 -0.51 0.22 114.58 117.89 3gbt h GLU 478 Ca -0.01 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3gbt h GLU 478 Cb 1.18 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 3gbt h GLU 478 CO 0.10 -0.23 0.23 0.82 -1.16 0.00 0.00 179.01 178.77 3gbt h ILE 479 N -0.36 1.24 -0.03 3.13 1.08 -1.04 0.29 117.51 121.82 3gbt h ILE 479 Ca 0.01 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 63.74 3gbt h ILE 479 Cb 0.35 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 3gbt h ILE 479 CO -0.06 0.29 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.48 3gbt h ARG 480 N 0.87 -0.20 -0.91 2.37 1.12 -0.94 -2.38 114.38 114.31 3gbt h ARG 480 Ca 0.20 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.13 3gbt h ARG 480 Cb 0.23 0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 30.18 3gbt h ARG 480 CO -0.01 -0.13 0.59 -0.91 -3.11 0.00 0.00 179.97 176.39 3gbt h ASN 481 N -0.21 0.97 -0.48 -3.80 2.35 -0.10 -1.50 115.58 112.81 3gbt h ASN 481 Ca 0.06 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3gbt h ASN 481 Cb 0.28 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3gbt h ASN 481 CO -0.15 0.66 0.28 0.00 -1.65 0.00 0.00 177.43 176.57 3gbt h ALA 482 N 1.38 1.55 -0.01 -0.83 0.00 -0.08 -2.84 119.26 118.43 3gbt h ALA 482 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3gbt h ALA 482 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gbt h ALA 482 CO -0.13 0.38 -0.64 1.28 0.00 0.00 0.00 179.25 180.15 3gbt n LEU 483 N -4.41 1.66 -0.26 0.00 4.77 -0.93 -4.59 117.00 113.24 3gbt n LEU 483 Ca 0.04 -0.67 0.05 0.00 -0.03 0.00 0.00 56.01 55.40 3gbt n LEU 483 Cb 0.09 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.37 3gbt n LEU 483 CO 0.36 0.33 1.01 0.00 -1.33 0.00 0.00 177.39 177.77 3gbt h ALA 484 N 3.50 1.06 -0.00 -1.18 0.00 -1.02 -0.68 119.26 120.94 3gbt h ALA 484 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gbt h ALA 484 Cb 0.66 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gbt h ALA 484 CO 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 179.25 179.03 3gbt n ALA 485 N -2.51 2.58 0.73 0.00 0.00 -1.26 -3.99 120.51 116.06 3gbt n ALA 485 Ca 0.14 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3gbt n ALA 485 Cb 0.41 -1.49 0.08 0.00 0.00 0.00 0.00 19.45 18.46 3gbt n ALA 485 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gbt n SER 486 N -1.15 0.64 0.23 0.00 7.64 -0.26 -4.47 113.62 116.25 3gbt n SER 486 Ca 0.18 -0.27 0.11 0.00 1.01 0.00 0.00 58.87 59.89 3gbt n SER 486 Cb 0.20 0.60 0.51 0.00 -1.01 0.00 0.00 64.21 64.51 3gbt n SER 486 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3gbt h TYR 487 N 0.00 0.00 -0.06 1.43 0.99 -1.69 -2.40 116.97 115.24 3gbt h TYR 487 Ca 0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 3gbt h TYR 487 Cb 0.64 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.36 3gbt h TYR 487 CO 0.00 0.20 -0.60 0.78 -0.00 0.00 0.00 178.16 178.54 3gbt h GLY 488 N 1.88 0.22 0.74 3.88 0.00 -1.86 -2.65 103.07 105.28 3gbt h GLY 488 Ca -0.00 -0.27 0.12 0.00 0.00 0.00 0.00 47.33 47.18 3gbt h GLY 488 CO 0.03 0.25 0.51 1.70 0.00 0.00 0.00 176.54 179.02 3gbt h LYS 489 N 0.15 0.00 -0.76 4.80 1.63 -1.72 -2.87 116.57 117.81 3gbt h LYS 489 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3gbt h LYS 489 Cb 1.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 3gbt h LYS 489 CO 0.09 0.00 0.00 1.19 -3.45 0.00 0.00 179.45 177.28 3gbt n PHE 490 N -3.58 0.00 -0.63 1.91 3.01 -1.00 -5.20 117.46 111.98 3gbt n PHE 490 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 3gbt n PHE 490 Cb 0.69 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 3gbt n PHE 490 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22