#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auy s PRO 28 N 0.00 3.58 0.34 -1.46 0.02 -1.26 -4.89 135.00 131.33 1auy s PRO 28 Ca 0.00 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 1auy s PRO 28 Cb 0.00 -2.45 -0.11 0.00 0.02 0.00 0.00 34.50 31.96 1auy s PRO 28 CO 0.00 -0.78 1.44 -0.51 -0.33 0.00 0.00 177.00 176.81 1auy s LEU 29 N -3.05 4.36 0.17 -5.54 1.02 -1.26 -4.95 118.68 109.43 1auy s LEU 29 Ca 0.65 2.90 0.09 0.00 0.02 0.00 0.00 54.13 57.79 1auy s LEU 29 Cb -0.36 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.15 1auy s LEU 29 CO 0.44 -0.76 -0.19 0.42 0.02 0.00 0.00 176.35 176.28 1auy s THR 30 N -0.93 1.88 0.20 5.49 -4.23 -1.26 -4.29 115.64 112.50 1auy s THR 30 Ca 0.53 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1auy s THR 30 Cb -0.44 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 1auy s THR 30 CO 0.57 -0.31 -0.08 0.27 -0.54 0.00 0.00 174.62 174.53 1auy s ILE 31 N -2.05 1.37 -0.04 2.99 -5.25 -0.46 -4.95 121.20 112.81 1auy s ILE 31 Ca 0.17 -2.11 0.05 0.00 -0.99 0.00 0.00 60.65 57.77 1auy s ILE 31 Cb -0.06 -2.11 -0.01 0.00 2.95 0.00 0.00 42.46 43.23 1auy s ILE 31 CO 0.07 -0.54 -0.19 -0.54 -1.79 0.00 0.00 174.94 171.95 1auy s LYS 32 N -3.74 1.86 -0.05 0.37 1.02 -1.26 -0.59 119.74 117.35 1auy s LYS 32 Ca 0.23 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.54 1auy s LYS 32 Cb 0.03 -1.66 0.02 0.00 -0.52 0.00 0.00 37.83 35.69 1auy s LYS 32 CO 0.06 0.33 -0.06 -0.65 -0.92 0.00 0.00 175.35 174.11 1auy s GLN 33 N -0.16 0.97 0.47 1.68 -1.52 -0.35 -4.97 119.66 115.78 1auy s GLN 33 Ca -0.00 -0.16 -0.03 0.00 -1.95 0.00 0.00 55.36 53.22 1auy s GLN 33 Cb -0.11 -0.92 -0.02 0.00 -0.22 0.00 0.00 33.01 31.74 1auy s GLN 33 CO 0.01 -0.06 0.74 -1.25 -0.25 0.00 0.00 175.29 174.49 1auy s PRO 34 N 0.85 3.32 0.04 2.91 0.04 -1.26 -0.55 135.00 140.35 1auy s PRO 34 Ca -0.12 -0.07 -0.26 0.00 0.04 0.00 0.00 61.00 60.59 1auy s PRO 34 Cb -0.15 -2.44 0.07 0.00 0.04 0.00 0.00 34.50 32.02 1auy s PRO 34 CO 0.01 -0.25 0.61 -0.59 0.04 0.00 0.00 177.00 176.83 1auy s PHE 35 N -2.68 -0.56 -0.11 0.56 -0.12 0.60 -4.94 117.98 110.73 1auy s PHE 35 Ca 0.47 0.72 -0.04 0.00 -0.05 0.00 0.00 56.93 58.03 1auy s PHE 35 Cb -0.10 0.44 0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1auy s PHE 35 CO 0.42 -0.69 0.10 -1.14 -0.05 0.00 0.00 175.22 173.86 1auy s GLN 36 N -2.30 0.01 0.02 1.99 0.74 -1.26 -0.70 119.66 118.16 1auy s GLN 36 Ca -0.06 0.20 0.07 0.00 0.05 0.00 0.00 55.36 55.62 1auy s GLN 36 Cb -0.01 -1.07 -0.03 0.00 1.10 0.00 0.00 33.01 33.00 1auy s GLN 36 CO -0.00 -0.49 -0.21 -1.54 -0.55 0.00 0.00 175.29 172.50 1auy s SER 37 N 2.19 3.58 -0.14 6.67 1.04 0.08 -4.93 113.70 122.18 1auy s SER 37 Ca 0.04 -0.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.74 1auy s SER 37 Cb -0.14 -0.54 -0.02 0.00 0.10 0.00 0.00 66.02 65.43 1auy s SER 37 CO -0.07 0.28 1.19 -1.61 0.98 0.00 0.00 173.24 174.02 1auy s GLU 38 N -1.13 4.28 -0.11 4.02 2.02 -1.26 -0.87 118.70 125.65 1auy s GLU 38 Ca 0.13 1.60 0.19 0.00 0.02 0.00 0.00 54.97 56.91 1auy s GLU 38 Cb -0.10 -3.67 -0.29 0.00 0.10 0.00 0.00 34.13 30.17 1auy s GLU 38 CO 0.03 -0.59 0.27 0.28 0.02 0.00 0.00 175.26 175.27 1auy n VAL 39 N 5.09 0.64 -3.65 2.63 0.31 0.16 -4.94 118.33 118.57 1auy n VAL 39 Ca 0.12 -0.65 -0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1auy n VAL 39 Cb 0.46 -0.22 -0.06 0.00 -0.91 0.00 0.00 33.84 33.10 1auy n VAL 39 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1auy s LEU 40 N -4.93 -0.24 -0.11 7.52 2.96 -0.78 -5.01 118.68 118.09 1auy s LEU 40 Ca -0.09 0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 54.11 1auy s LEU 40 Cb 0.10 1.36 -0.05 0.00 0.50 0.00 0.00 46.19 48.11 1auy s LEU 40 CO 0.84 -0.06 0.24 -0.36 -1.32 0.00 0.00 176.35 175.69 1auy s PHE 41 N 1.06 3.58 0.27 5.38 0.40 -1.26 -0.13 117.98 127.27 1auy s PHE 41 Ca -0.07 0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 56.80 1auy s PHE 41 Cb -0.03 -2.15 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 1auy s PHE 41 CO -0.12 0.55 0.46 0.00 0.70 0.00 0.00 175.22 176.82 1auy s ALA 42 N -0.54 0.03 0.00 5.36 0.00 -0.38 -4.93 121.76 121.30 1auy s ALA 42 Ca 0.17 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1auy s ALA 42 Cb -0.13 1.09 0.00 0.00 0.00 0.00 0.00 23.12 24.08 1auy s ALA 42 CO 0.06 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1auy n GLY 43 N -0.41 1.94 0.12 0.00 0.00 -1.26 -0.26 105.19 105.32 1auy n GLY 43 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1auy n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1auy n THR 44 N 0.00 0.00 -3.60 2.61 -2.24 -1.26 -4.44 114.28 105.35 1auy n THR 44 Ca 0.00 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1auy n THR 44 Cb 0.00 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 1auy n THR 44 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1auy s LYS 45 N -2.73 0.38 0.44 -0.78 -2.85 -1.26 -4.71 119.74 108.23 1auy s LYS 45 Ca 0.19 0.04 -0.26 0.00 -1.00 0.00 0.00 55.97 54.93 1auy s LYS 45 Cb 0.19 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 1auy s LYS 45 CO 0.59 -0.13 1.44 -0.25 0.10 0.00 0.00 175.35 177.10 1auy n ASP 46 N 0.48 3.38 -3.46 0.03 9.92 -1.26 -4.48 116.55 121.15 1auy n ASP 46 Ca -0.05 1.14 -0.14 0.00 -0.53 0.00 0.00 54.79 55.21 1auy n ASP 46 Cb 0.58 -1.60 -0.03 0.00 -0.64 0.00 0.00 41.12 39.43 1auy n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1auy s ALA 47 N -1.18 -1.67 0.15 2.24 0.00 0.46 -4.97 121.76 116.79 1auy s ALA 47 Ca 0.60 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.43 1auy s ALA 47 Cb -0.46 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1auy s ALA 47 CO 0.59 -0.63 -0.14 -1.21 0.00 0.00 0.00 175.76 174.37 1auy s GLU 48 N -2.83 1.13 -0.13 0.00 2.02 -1.26 -0.13 118.70 117.49 1auy s GLU 48 Ca -0.03 -1.38 -0.21 0.00 0.02 0.00 0.00 54.97 53.36 1auy s GLU 48 Cb -0.01 -0.94 0.05 0.00 0.10 0.00 0.00 34.13 33.34 1auy s GLU 48 CO -0.05 0.16 0.54 0.00 0.02 0.00 0.00 175.26 175.93 1auy s ALA 49 N -2.58 -1.36 -0.43 5.21 0.00 -0.26 -4.95 121.76 117.38 1auy s ALA 49 Ca 0.14 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.42 1auy s ALA 49 Cb -0.02 -0.49 0.18 0.00 0.00 0.00 0.00 23.12 22.79 1auy s ALA 49 CO 0.04 -0.29 0.39 0.43 0.00 0.00 0.00 175.76 176.33 1auy n SER 50 N 2.02 -0.04 -4.73 0.00 7.64 -1.26 -0.91 113.62 116.33 1auy n SER 50 Ca -0.16 -2.50 -0.39 0.00 1.01 0.00 0.00 58.87 56.82 1auy n SER 50 Cb 0.56 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1auy n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1auy s LEU 51 N -0.30 4.35 -0.46 -3.43 1.02 -0.44 -4.88 118.68 114.54 1auy s LEU 51 Ca 0.33 1.16 -0.22 0.00 0.02 0.00 0.00 54.13 55.42 1auy s LEU 51 Cb 0.06 -3.01 0.03 0.00 0.02 0.00 0.00 46.19 43.29 1auy s LEU 51 CO -0.18 -0.04 0.73 0.42 0.02 0.00 0.00 176.35 177.30 1auy s THR 52 N 0.45 4.72 -0.71 5.49 -4.23 -1.26 0.13 115.64 120.23 1auy s THR 52 Ca 0.35 0.20 0.06 0.00 -1.18 0.00 0.00 61.69 61.13 1auy s THR 52 Cb -0.18 -4.29 0.06 0.00 1.34 0.00 0.00 72.50 69.43 1auy s THR 52 CO 0.17 -0.71 1.18 2.30 -0.54 0.00 0.00 174.62 177.02 1auy n ILE 53 N 5.98 1.62 0.31 2.99 -6.64 -0.39 -0.90 119.36 122.33 1auy n ILE 53 Ca -0.00 0.58 0.07 0.00 -1.77 0.00 0.00 62.75 61.63 1auy n ILE 53 Cb 0.48 -1.58 0.34 0.00 -1.44 0.00 0.00 39.64 37.44 1auy n ILE 53 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1auy n ALA 54 N -1.56 1.42 0.23 -1.28 0.00 -1.26 -2.65 120.51 115.41 1auy n ALA 54 Ca -0.00 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1auy n ALA 54 Cb 0.04 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.27 1auy n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1auy n ASN 55 N -1.83 1.51 -4.77 0.00 5.03 -0.08 -4.68 115.26 110.45 1auy n ASN 55 Ca 0.02 -1.26 -0.41 0.00 0.87 0.00 0.00 54.58 53.79 1auy n ASN 55 Cb 0.13 -0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.87 1auy n ASN 55 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1auy s ILE 56 N -0.50 2.34 0.04 2.41 -4.36 -1.08 -4.71 121.20 115.34 1auy s ILE 56 Ca 0.07 0.34 -0.08 0.00 -0.26 0.00 0.00 60.65 60.72 1auy s ILE 56 Cb 0.05 -3.22 -0.02 0.00 1.25 0.00 0.00 42.46 40.53 1auy s ILE 56 CO 0.07 0.08 0.53 -0.90 0.24 0.00 0.00 174.94 174.96 1auy n ASP 57 N 0.75 -0.28 -0.19 4.36 5.75 -1.26 -1.07 116.55 124.61 1auy n ASP 57 Ca 0.01 0.59 -0.08 0.00 -0.01 0.00 0.00 54.79 55.31 1auy n ASP 57 Cb 0.40 -0.12 0.02 0.00 -1.03 0.00 0.00 41.12 40.39 1auy n ASP 57 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1auy h SER 58 N 0.00 0.75 -0.53 -1.12 4.64 -1.94 0.28 113.55 115.63 1auy h SER 58 Ca 0.04 -0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1auy h SER 58 Cb 0.11 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1auy h SER 58 CO -0.25 0.70 0.36 0.58 -0.87 0.00 0.00 176.83 177.36 1auy h VAL 59 N 0.74 0.91 0.14 0.95 2.07 -1.47 0.46 116.25 120.06 1auy h VAL 59 Ca 0.18 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1auy h VAL 59 Cb 0.19 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1auy h VAL 59 CO -0.02 0.07 -0.07 -1.28 0.02 0.00 0.00 177.57 176.29 1auy h SER 60 N 0.36 -0.16 -0.12 0.57 0.87 0.08 -2.71 113.55 112.44 1auy h SER 60 Ca 0.24 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1auy h SER 60 Cb 0.48 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1auy h SER 60 CO -0.06 0.41 0.11 0.71 -0.53 0.00 0.00 176.83 177.47 1auy h THR 61 N -0.98 0.64 -0.06 2.23 1.35 0.02 -2.21 112.91 113.90 1auy h THR 61 Ca -0.02 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.68 1auy h THR 61 Cb 0.42 0.91 0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1auy h THR 61 CO 0.03 0.00 -0.58 -0.07 -0.25 0.00 0.00 175.52 174.65 1auy h LEU 62 N 0.00 0.61 -0.38 3.87 3.38 -0.14 -3.25 115.31 119.40 1auy h LEU 62 Ca 0.06 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1auy h LEU 62 Cb 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1auy h LEU 62 CO -0.00 1.21 0.00 0.35 0.09 0.00 0.00 178.44 180.09 1auy n THR 63 N -4.20 0.09 -0.27 0.22 -2.24 -0.87 -4.33 114.28 102.68 1auy n THR 63 Ca -0.09 -0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1auy n THR 63 Cb 0.65 -0.04 0.22 0.00 -2.10 0.00 0.00 70.33 69.06 1auy n THR 63 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1auy h THR 64 N 0.73 0.59 -0.77 4.28 2.02 -1.50 -1.72 112.91 116.54 1auy h THR 64 Ca 0.00 -0.15 -0.30 0.00 0.77 0.00 0.00 66.41 66.74 1auy h THR 64 Cb 0.16 0.13 -0.18 0.00 -1.74 0.00 0.00 68.15 66.52 1auy h THR 64 CO 0.00 0.08 0.35 0.49 0.37 0.00 0.00 175.52 176.81 1auy n PHE 65 N -5.02 2.49 -4.25 3.16 3.72 -1.26 -4.77 117.46 111.52 1auy n PHE 65 Ca 0.17 -1.42 -0.18 0.00 -0.05 0.00 0.00 57.45 55.97 1auy n PHE 65 Cb 0.49 -0.74 -0.13 0.00 -0.94 0.00 0.00 39.48 38.16 1auy n PHE 65 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1auy s TYR 66 N -3.10 1.01 -0.22 1.38 2.02 -0.65 -1.53 117.35 116.25 1auy s TYR 66 Ca 0.55 -0.36 0.20 0.00 -0.37 0.00 0.00 57.07 57.09 1auy s TYR 66 Cb 0.45 -0.60 0.03 0.00 -0.40 0.00 0.00 41.96 41.44 1auy s TYR 66 CO 0.12 0.01 1.14 0.00 -1.57 0.00 0.00 175.55 175.24 1auy h ARG 67 N 4.94 0.00 -3.95 -0.62 3.08 0.66 -3.40 114.38 115.09 1auy h ARG 67 Ca -0.36 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.33 1auy h ARG 67 Cb 1.19 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.91 1auy h ARG 67 CO 0.44 0.17 -0.75 -1.01 -1.07 0.00 0.00 179.97 177.74 1auy s HIS 68 N -3.14 0.46 -0.09 3.04 3.76 -1.02 -3.70 115.29 114.60 1auy s HIS 68 Ca 0.01 -0.08 -0.06 0.00 -0.15 0.00 0.00 55.06 54.78 1auy s HIS 68 Cb 0.08 -0.43 0.03 0.00 1.11 0.00 0.00 32.58 33.37 1auy s HIS 68 CO 0.77 -0.11 0.22 0.00 -0.85 0.00 0.00 174.74 174.77 1auy s ALA 69 N 0.65 -0.50 0.02 -1.40 0.00 -0.40 -1.40 121.76 118.71 1auy s ALA 69 Ca -0.07 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1auy s ALA 69 Cb -0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1auy s ALA 69 CO -0.01 -0.14 -0.03 0.45 0.00 0.00 0.00 175.76 176.03 1auy s SER 70 N 0.66 0.26 0.07 0.00 0.15 -0.54 0.16 113.70 114.47 1auy s SER 70 Ca -0.04 -0.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 1auy s SER 70 Cb -0.06 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1auy s SER 70 CO -0.04 -0.18 0.96 -0.76 1.20 0.00 0.00 173.24 174.42 1auy s LEU 71 N -0.97 4.46 -0.20 3.45 1.43 0.51 -0.29 118.68 127.07 1auy s LEU 71 Ca -0.10 1.74 -0.06 0.00 -1.03 0.00 0.00 54.13 54.68 1auy s LEU 71 Cb -0.07 -3.56 -0.20 0.00 0.03 0.00 0.00 46.19 42.39 1auy s LEU 71 CO -0.01 -0.12 0.03 -0.62 0.23 0.00 0.00 176.35 175.86 1auy n GLU 72 N 3.11 0.67 -3.99 1.70 -0.58 0.19 -4.88 120.64 116.86 1auy n GLU 72 Ca 0.03 0.26 -0.08 0.00 -0.42 0.00 0.00 57.16 56.95 1auy n GLU 72 Cb 0.50 -1.61 -0.09 0.00 -0.57 0.00 0.00 31.44 29.66 1auy n GLU 72 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1auy s SER 73 N -6.89 0.31 -0.29 1.62 1.04 -1.23 -4.95 113.70 103.31 1auy s SER 73 Ca -0.30 -0.76 -0.17 0.00 0.48 0.00 0.00 55.95 55.20 1auy s SER 73 Cb 0.09 0.22 0.15 0.00 0.10 0.00 0.00 66.02 66.58 1auy s SER 73 CO 0.65 -0.57 1.01 -0.22 0.98 0.00 0.00 173.24 175.09 1auy s LEU 74 N -2.56 -0.45 0.16 2.42 1.98 -1.26 -1.44 118.68 117.52 1auy s LEU 74 Ca 0.01 0.74 -0.18 0.00 -2.89 0.00 0.00 54.13 51.82 1auy s LEU 74 Cb 0.03 1.68 0.04 0.00 0.66 0.00 0.00 46.19 48.61 1auy s LEU 74 CO -0.08 -0.12 0.48 -1.66 -1.89 0.00 0.00 176.35 173.08 1auy s TRP 75 N 1.19 -0.22 0.00 5.38 -2.14 0.13 -0.53 118.94 122.75 1auy s TRP 75 Ca -0.08 -0.09 0.01 0.00 2.66 0.00 0.00 56.10 58.60 1auy s TRP 75 Cb -0.04 0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 30.65 1auy s TRP 75 CO -0.14 -0.80 0.04 0.54 -2.66 0.00 0.00 176.95 173.93 1auy s VAL 76 N -3.82 4.44 -0.00 -0.66 0.11 -0.05 -1.29 120.40 119.12 1auy s VAL 76 Ca 0.05 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1auy s VAL 76 Cb 0.00 -3.01 -0.00 0.00 -1.53 0.00 0.00 36.38 31.84 1auy s VAL 76 CO -0.09 0.35 -0.03 0.28 -3.33 0.00 0.00 175.10 172.28 1auy s THR 77 N -1.16 0.22 -0.33 5.04 -1.32 -0.29 -0.01 115.64 117.80 1auy s THR 77 Ca 0.22 -0.12 -0.03 0.00 -1.21 0.00 0.00 61.69 60.54 1auy s THR 77 Cb -0.12 -0.19 0.05 0.00 -1.51 0.00 0.00 72.50 70.73 1auy s THR 77 CO 0.13 0.06 0.06 -0.63 -2.21 0.00 0.00 174.62 172.03 1auy s ILE 78 N -0.07 3.29 -0.40 5.08 1.01 0.69 -1.88 121.20 128.92 1auy s ILE 78 Ca 0.01 -1.39 -0.20 0.00 0.00 0.00 0.00 60.65 59.08 1auy s ILE 78 Cb -0.01 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1auy s ILE 78 CO -0.00 -0.20 0.59 -1.00 0.00 0.00 0.00 174.94 174.33 1auy s HIS 79 N 1.29 3.12 0.69 3.97 3.76 -0.01 -4.27 115.29 123.84 1auy s HIS 79 Ca -0.02 0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 1auy s HIS 79 Cb -0.20 -3.16 0.01 0.00 1.11 0.00 0.00 32.58 30.33 1auy s HIS 79 CO -0.00 -0.72 1.06 -1.25 -0.85 0.00 0.00 174.74 172.98 1auy s PRO 80 N 2.63 2.97 0.23 8.40 0.04 -1.26 -0.66 135.00 147.36 1auy s PRO 80 Ca 0.21 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1auy s PRO 80 Cb -0.15 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1auy s PRO 80 CO 0.16 -1.03 0.10 0.25 0.04 0.00 0.00 177.00 176.52 1auy n THR 81 N -3.06 0.00 -0.26 1.26 -2.24 0.07 -4.86 114.28 105.20 1auy n THR 81 Ca 0.07 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1auy n THR 81 Cb 0.55 0.53 0.07 0.00 -2.10 0.00 0.00 70.33 69.38 1auy n THR 81 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1auy h LEU 82 N 0.00 -0.81 -1.40 3.22 5.85 -1.88 -0.38 115.31 119.91 1auy h LEU 82 Ca -0.18 0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1auy h LEU 82 Cb 0.71 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1auy h LEU 82 CO 0.28 -0.26 -0.07 1.56 -0.34 0.00 0.00 178.44 179.61 1auy h GLN 83 N -0.03 0.31 -0.90 1.25 1.08 -1.86 -3.29 115.11 111.67 1auy h GLN 83 Ca 0.34 -0.06 0.14 0.00 -1.45 0.00 0.00 58.65 57.62 1auy h GLN 83 Cb 0.55 -0.05 -0.15 0.00 -0.05 0.00 0.00 27.48 27.79 1auy h GLN 83 CO -0.77 0.40 -0.37 0.00 -0.95 0.00 0.00 178.83 177.14 1auy h ALA 84 N 1.63 0.13 -0.18 3.87 0.00 -1.18 0.21 119.26 123.73 1auy h ALA 84 Ca 0.06 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1auy h ALA 84 Cb 0.32 0.95 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1auy h ALA 84 CO 0.02 -0.63 -0.13 -1.35 0.00 0.00 0.00 179.25 177.15 1auy h PRO 85 N -0.04 -0.13 -0.42 0.00 0.11 -1.70 -2.35 132.00 127.47 1auy h PRO 85 Ca 0.32 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 1auy h PRO 85 Cb 0.59 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1auy h PRO 85 CO -0.92 -0.09 -0.15 0.00 -0.21 0.00 0.00 178.00 176.63 1auy h THR 86 N -0.13 1.26 -3.36 -1.15 1.03 -1.46 -3.39 112.91 105.71 1auy h THR 86 Ca 0.11 -1.24 -0.64 0.00 -0.01 0.00 0.00 66.41 64.63 1auy h THR 86 Cb 0.30 1.10 -0.41 0.00 -1.07 0.00 0.00 68.15 68.07 1auy h THR 86 CO -0.27 0.42 -0.64 -0.36 -0.01 0.00 0.00 175.52 174.66 1auy s PHE 87 N -4.72 3.11 0.51 0.00 0.08 0.62 -5.09 117.98 112.48 1auy s PHE 87 Ca -0.09 -3.10 -0.21 0.00 0.12 0.00 0.00 56.93 53.64 1auy s PHE 87 Cb 0.13 -2.74 -0.08 0.00 -0.57 0.00 0.00 43.02 39.76 1auy s PHE 87 CO 0.83 -0.76 0.96 -2.30 -0.10 0.00 0.00 175.22 173.85 1auy n PRO 88 N 3.21 1.12 -4.06 0.24 -0.02 -1.19 -4.53 135.00 129.77 1auy n PRO 88 Ca 0.05 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.80 1auy n PRO 88 Cb 0.33 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 1auy n PRO 88 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1auy s THR 89 N -1.42 0.28 -0.33 3.45 2.01 0.29 -4.17 115.64 115.75 1auy s THR 89 Ca 0.69 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 62.40 1auy s THR 89 Cb -0.48 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1auy s THR 89 CO 0.53 0.08 0.37 -0.89 -0.69 0.00 0.00 174.62 174.02 1auy s THR 90 N -0.02 5.16 -0.11 -0.82 2.01 -0.46 -1.24 115.64 120.17 1auy s THR 90 Ca 0.01 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1auy s THR 90 Cb -0.02 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1auy s THR 90 CO -0.00 -0.06 -0.10 0.54 -0.69 0.00 0.00 174.62 174.31 1auy s VAL 91 N 2.05 1.18 -0.05 3.82 0.11 -0.60 -0.43 120.40 126.49 1auy s VAL 91 Ca 0.13 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1auy s VAL 91 Cb -0.16 -1.14 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1auy s VAL 91 CO 0.12 0.39 -0.14 -0.83 -3.33 0.00 0.00 175.10 171.30 1auy s GLY 92 N 1.35 1.54 0.17 6.54 0.00 -0.27 -0.78 107.32 115.88 1auy s GLY 92 Ca -0.01 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 43.79 1auy s GLY 92 CO -0.05 -0.78 -0.14 -1.34 0.00 0.00 0.00 173.10 170.79 1auy s VAL 93 N -0.75 1.55 -0.29 1.40 -7.23 -0.24 -0.93 120.40 113.91 1auy s VAL 93 Ca 0.12 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 1auy s VAL 93 Cb -0.11 -1.89 0.13 0.00 0.56 0.00 0.00 36.38 35.08 1auy s VAL 93 CO 0.01 -0.57 0.85 0.00 -0.31 0.00 0.00 175.10 175.08 1auy s TRP 95 N 1.98 3.61 -0.08 0.00 0.52 -1.26 -1.21 118.94 122.49 1auy s TRP 95 Ca -0.07 1.09 -0.30 0.00 0.02 0.00 0.00 56.10 56.83 1auy s TRP 95 Cb -0.06 -2.39 0.07 0.00 -1.15 0.00 0.00 33.47 29.94 1auy s TRP 95 CO -0.17 0.42 0.68 0.54 0.02 0.00 0.00 176.95 178.43 1auy s VAL 96 N -1.48 0.00 0.34 4.03 0.11 -0.52 -4.52 120.40 118.37 1auy s VAL 96 Ca 0.38 -0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.14 1auy s VAL 96 Cb -0.15 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.60 1auy s VAL 96 CO 0.19 -0.00 1.48 -2.84 -3.33 0.00 0.00 175.10 170.60 1auy s PRO 97 N -1.00 4.16 0.54 1.54 0.02 -1.26 -1.19 135.00 137.80 1auy s PRO 97 Ca -0.10 2.51 0.37 0.00 0.02 0.00 0.00 61.00 63.79 1auy s PRO 97 Cb -0.01 -3.00 1.55 0.00 0.02 0.00 0.00 34.50 33.06 1auy s PRO 97 CO 0.09 -0.50 1.81 0.00 -0.33 0.00 0.00 177.00 178.07 1auy h ALA 98 N 3.58 3.11 -0.01 -1.55 0.00 -0.57 0.35 119.26 124.18 1auy h ALA 98 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1auy h ALA 98 Cb 1.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1auy h ALA 98 CO 0.68 -1.45 0.00 0.00 0.00 0.00 0.00 179.25 178.49 1auy n GLN 99 N -4.18 1.20 -2.49 0.00 10.64 -0.87 -4.81 117.38 116.86 1auy n GLN 99 Ca 0.25 -0.29 -0.42 0.00 -1.83 0.00 0.00 57.00 54.71 1auy n GLN 99 Cb 1.23 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 29.10 1auy n GLN 99 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1auy s SER 100 N -1.97 7.13 0.00 2.61 0.15 0.12 -4.90 113.70 116.85 1auy s SER 100 Ca 0.44 1.88 0.21 0.00 0.70 0.00 0.00 55.95 59.18 1auy s SER 100 Cb 0.21 -2.57 0.98 0.00 -1.71 0.00 0.00 66.02 62.93 1auy s SER 100 CO 0.35 -0.46 1.67 -0.81 1.20 0.00 0.00 173.24 175.20 1auy n PRO 101 N 4.26 0.16 -1.17 5.44 -0.04 -1.26 -4.87 135.00 137.51 1auy n PRO 101 Ca 0.09 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 1auy n PRO 101 Cb 0.47 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 1auy n PRO 101 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1auy n VAL 102 N -1.39 2.22 -4.44 0.52 3.14 -1.26 -5.04 118.33 112.08 1auy n VAL 102 Ca 0.08 -0.26 -0.21 0.00 -2.96 0.00 0.00 64.34 60.99 1auy n VAL 102 Cb 0.20 -1.15 -0.11 0.00 -1.06 0.00 0.00 33.84 31.73 1auy n VAL 102 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1auy s THR 103 N -2.03 1.31 0.44 1.55 -4.23 -1.26 -5.02 115.64 106.39 1auy s THR 103 Ca 0.73 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 59.35 1auy s THR 103 Cb -0.30 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.17 1auy s THR 103 CO 0.51 -0.09 2.00 -0.65 -0.54 0.00 0.00 174.62 175.85 1auy h PRO 104 N 2.16 0.36 0.00 3.99 0.11 -1.87 0.67 132.00 137.42 1auy h PRO 104 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1auy h PRO 104 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1auy h PRO 104 CO 0.69 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 1auy n ALA 105 N -2.53 1.19 -1.70 -0.75 0.00 -1.26 -2.73 120.51 112.73 1auy n ALA 105 Ca 0.08 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.62 1auy n ALA 105 Cb 0.34 -1.26 0.16 0.00 0.00 0.00 0.00 19.45 18.69 1auy n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1auy n GLN 106 N -2.05 2.16 0.36 0.00 10.64 0.23 -4.84 117.38 123.88 1auy n GLN 106 Ca -0.00 -3.54 -0.17 0.00 -1.83 0.00 0.00 57.00 51.46 1auy n GLN 106 Cb 0.07 -1.81 -0.09 0.00 -0.86 0.00 0.00 30.24 27.55 1auy n GLN 106 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1auy h ILE 107 N 1.32 0.32 0.00 -0.39 2.04 -1.57 -2.12 117.51 117.11 1auy h ILE 107 Ca 0.12 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1auy h ILE 107 Cb 1.18 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1auy h ILE 107 CO 0.24 0.01 0.00 0.35 0.00 0.00 0.00 178.15 178.75 1auy n THR 108 N -5.46 0.00 0.50 -0.27 -2.24 -1.26 -0.55 114.28 105.00 1auy n THR 108 Ca -0.13 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1auy n THR 108 Cb 0.37 -0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 67.67 1auy n THR 108 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1auy n LYS 109 N -0.95 0.95 -3.73 -0.78 5.02 -0.85 -4.97 118.16 112.86 1auy n LYS 109 Ca 0.06 -0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 1auy n LYS 109 Cb 0.03 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1auy n LYS 109 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1auy s THR 110 N -2.89 5.22 0.11 -0.18 2.01 0.28 -5.04 115.64 115.15 1auy s THR 110 Ca 0.01 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 1auy s THR 110 Cb 0.13 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 1auy s THR 110 CO 0.73 0.11 1.59 0.22 -0.69 0.00 0.00 174.62 176.58 1auy h TYR 111 N 3.04 -1.18 -0.85 4.92 3.20 -1.93 -2.61 116.97 121.55 1auy h TYR 111 Ca -0.46 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.50 1auy h TYR 111 Cb 1.17 0.50 -0.05 0.00 1.54 0.00 0.00 36.73 39.88 1auy h TYR 111 CO 0.62 -0.52 0.56 0.78 -1.64 0.00 0.00 178.16 177.96 1auy h GLY 112 N -0.66 1.22 -0.65 1.82 0.00 -1.90 -3.47 103.07 99.42 1auy h GLY 112 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1auy h GLY 112 CO -0.23 0.29 0.03 0.61 0.00 0.00 0.00 176.54 177.23 1auy n GLY 113 N -1.41 -0.01 3.20 4.60 0.00 -0.99 -4.81 105.19 105.77 1auy n GLY 113 Ca 0.13 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1auy n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1auy s GLN 114 N 0.11 0.35 -0.18 1.61 -0.21 -0.77 -4.82 119.66 115.74 1auy s GLN 114 Ca 0.10 0.55 0.01 0.00 0.02 0.00 0.00 55.36 56.04 1auy s GLN 114 Cb -0.14 0.08 0.02 0.00 1.00 0.00 0.00 33.01 33.97 1auy s GLN 114 CO 0.07 -0.10 -0.20 0.42 -2.12 0.00 0.00 175.29 173.36 1auy s ILE 115 N 0.68 2.07 0.31 1.08 1.01 -1.26 -1.08 121.20 124.00 1auy s ILE 115 Ca -0.04 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.74 1auy s ILE 115 Cb -0.05 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1auy s ILE 115 CO -0.04 0.54 0.27 -0.36 0.00 0.00 0.00 174.94 175.35 1auy s PHE 116 N 1.29 2.97 -0.68 3.97 0.08 0.04 -4.97 117.98 120.68 1auy s PHE 116 Ca 0.05 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.91 1auy s PHE 116 Cb -0.13 -1.69 0.23 0.00 -0.57 0.00 0.00 43.02 40.87 1auy s PHE 116 CO -0.13 0.28 0.72 0.00 -0.10 0.00 0.00 175.22 175.99 1auy n ILE 118 N 1.17 2.81 -0.47 0.00 2.08 -0.37 -0.61 119.36 123.97 1auy n ILE 118 Ca 0.27 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1auy n ILE 118 Cb 0.39 -1.39 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 1auy n ILE 118 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1auy n GLY 119 N 0.99 1.79 3.79 7.39 0.00 -0.47 -0.55 105.19 118.14 1auy n GLY 119 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1auy n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1auy s GLY 120 N -1.95 1.70 -0.86 -0.02 0.00 0.22 -4.31 107.32 102.09 1auy s GLY 120 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 44.72 43.37 1auy s GLY 120 CO 0.00 -1.25 1.96 0.00 0.00 0.00 0.00 173.10 173.81 1auy n ALA 121 N -0.37 0.83 -1.16 3.20 0.00 -1.26 0.19 120.51 121.94 1auy n ALA 121 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1auy n ALA 121 Cb 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1auy n ALA 121 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1auy n ILE 122 N 5.11 0.00 -2.15 0.00 -0.00 -1.26 -5.00 119.36 116.07 1auy n ILE 122 Ca 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 63.33 1auy n ILE 122 Cb 0.10 -0.58 -0.01 0.00 -0.00 0.00 0.00 39.64 39.15 1auy n ILE 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1auy n GLN 123 N -0.49 0.00 -3.26 0.38 6.02 0.51 -4.90 117.38 115.64 1auy n GLN 123 Ca 0.00 -1.09 -0.25 0.00 -0.01 0.00 0.00 57.00 55.65 1auy n GLN 123 Cb 0.25 -0.05 -0.07 0.00 1.02 0.00 0.00 30.24 31.38 1auy n GLN 123 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1auy n THR 124 N 0.15 0.51 -3.69 5.09 -1.04 -1.25 -1.37 114.28 112.68 1auy n THR 124 Ca -0.04 -4.51 -0.11 0.00 -2.04 0.00 0.00 64.05 57.35 1auy n THR 124 Cb 0.79 -1.92 -0.10 0.00 -1.82 0.00 0.00 70.33 67.29 1auy n THR 124 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1auy s LEU 125 N -1.76 -0.13 0.07 -4.42 1.98 -1.26 -5.01 118.68 108.14 1auy s LEU 125 Ca 0.37 1.02 -0.24 0.00 -2.89 0.00 0.00 54.13 52.39 1auy s LEU 125 Cb 0.17 1.62 -0.11 0.00 0.66 0.00 0.00 46.19 48.54 1auy s LEU 125 CO -0.07 -0.19 1.38 -1.28 -1.89 0.00 0.00 176.35 174.29 1auy h SER 126 N 6.44 -1.03 0.00 3.68 0.87 -1.93 -3.28 113.55 118.31 1auy h SER 126 Ca -0.32 0.10 -0.59 0.00 -1.23 0.00 0.00 61.79 59.74 1auy h SER 126 Cb 1.19 0.37 0.10 0.00 -0.44 0.00 0.00 62.40 63.62 1auy h SER 126 CO 0.24 -0.41 1.76 -0.81 -0.53 0.00 0.00 176.83 177.08 1auy n PRO 127 N -4.49 0.65 -3.48 2.24 -0.04 -1.26 -4.36 135.00 124.27 1auy n PRO 127 Ca -0.07 -1.34 -0.41 0.00 -0.04 0.00 0.00 63.50 61.64 1auy n PRO 127 Cb 0.29 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 1auy n PRO 127 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1auy s LEU 128 N 0.47 6.04 0.05 1.53 1.98 -1.24 -5.03 118.68 122.48 1auy s LEU 128 Ca 0.62 -3.42 0.03 0.00 -2.89 0.00 0.00 54.13 48.47 1auy s LEU 128 Cb 0.14 -2.07 -0.04 0.00 0.66 0.00 0.00 46.19 44.88 1auy s LEU 128 CO 0.24 -0.31 0.03 -0.63 -1.89 0.00 0.00 176.35 173.79 1auy s ILE 129 N -0.94 4.27 -0.28 6.68 -1.09 -1.26 -0.22 121.20 128.36 1auy s ILE 129 Ca 0.26 -0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1auy s ILE 129 Cb -0.10 -2.99 0.09 0.00 -1.58 0.00 0.00 42.46 37.89 1auy s ILE 129 CO -0.09 0.23 0.11 -0.69 -1.23 0.00 0.00 174.94 173.27 1auy s VAL 130 N -1.24 0.19 0.48 2.92 1.01 0.98 -4.98 120.40 119.75 1auy s VAL 130 Ca 0.24 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 1auy s VAL 130 Cb -0.12 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 1auy s VAL 130 CO 0.16 -0.65 1.26 -0.54 0.00 0.00 0.00 175.10 175.33 1auy s LYS 131 N 1.98 3.60 -0.17 2.72 -0.14 -1.26 -0.87 119.74 125.58 1auy s LYS 131 Ca 0.08 2.00 -0.16 0.00 -1.36 0.00 0.00 55.97 56.53 1auy s LYS 131 Cb -0.16 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1auy s LYS 131 CO -0.30 -0.75 0.39 0.00 -0.76 0.00 0.00 175.35 173.93 1auy s PRO 133 N 0.97 3.19 0.51 0.00 0.04 -1.26 -4.70 135.00 133.76 1auy s PRO 133 Ca 0.20 -1.32 0.17 0.00 0.04 0.00 0.00 61.00 60.09 1auy s PRO 133 Cb -0.14 -5.34 1.28 0.00 0.04 0.00 0.00 34.50 30.34 1auy s PRO 133 CO 0.07 -3.02 2.13 -0.07 0.04 0.00 0.00 177.00 176.16 1auy h LEU 134 N 15.19 0.00 -0.94 -3.56 3.38 -1.92 0.16 115.31 127.63 1auy h LEU 134 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1auy h LEU 134 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1auy h LEU 134 CO 1.34 0.03 0.00 -1.84 0.09 0.00 0.00 178.44 178.06 1auy n GLU 135 N -4.43 0.18 -0.04 1.13 0.00 -1.26 -0.62 120.64 115.60 1auy n GLU 135 Ca -0.03 0.50 0.13 0.00 0.00 0.00 0.00 57.16 57.75 1auy n GLU 135 Cb 0.12 -1.90 0.35 0.00 0.00 0.00 0.00 31.44 30.01 1auy n GLU 135 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1auy n MET 136 N -2.24 1.95 -1.17 3.44 1.56 0.57 -4.97 117.12 116.25 1auy n MET 136 Ca 0.01 -1.39 0.00 0.00 -0.27 0.00 0.00 57.70 56.05 1auy n MET 136 Cb 0.16 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.07 1auy n MET 136 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1auy n MET 137 N 0.66 0.00 -3.45 2.12 0.00 0.21 -4.80 117.12 111.85 1auy n MET 137 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.44 1auy n MET 137 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.57 1auy n MET 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1auy s GLN 138 N -1.35 2.95 0.00 3.17 -0.44 -0.47 -4.92 119.66 118.60 1auy s GLN 138 Ca 0.00 -1.12 0.26 0.00 -2.50 0.00 0.00 55.36 52.00 1auy s GLN 138 Cb 0.00 -4.00 1.18 0.00 -1.64 0.00 0.00 33.01 28.55 1auy s GLN 138 CO 0.00 -0.82 1.86 -0.35 0.50 0.00 0.00 175.29 176.48 1auy n PRO 139 N 5.15 0.09 -2.22 1.67 -0.04 -1.26 -3.54 135.00 134.85 1auy n PRO 139 Ca -0.11 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1auy n PRO 139 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1auy n PRO 139 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1auy s ARG 140 N -2.90 4.25 0.00 0.54 0.52 -1.26 -0.36 118.95 119.74 1auy s ARG 140 Ca 0.16 1.95 0.10 0.00 -0.52 0.00 0.00 55.73 57.42 1auy s ARG 140 Cb 0.17 -3.72 0.01 0.00 0.52 0.00 0.00 34.95 31.93 1auy s ARG 140 CO 0.46 -0.67 0.67 1.33 0.02 0.00 0.00 175.30 177.11 1auy n VAL 141 N 5.03 0.00 -3.67 3.52 0.24 0.12 -4.77 118.33 118.81 1auy n VAL 141 Ca 0.14 -0.41 -0.08 0.00 -2.04 0.00 0.00 64.34 61.96 1auy n VAL 141 Cb 0.44 1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 33.85 1auy n VAL 141 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1auy s LYS 142 N -1.31 0.42 0.22 7.34 2.20 -0.48 -4.91 119.74 123.21 1auy s LYS 142 Ca 0.09 1.04 -0.05 0.00 -0.36 0.00 0.00 55.97 56.69 1auy s LYS 142 Cb 0.08 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1auy s LYS 142 CO 0.24 -0.21 0.38 -3.47 -0.36 0.00 0.00 175.35 171.93 1auy n ASP 143 N 4.95 -1.09 0.13 1.43 2.03 -1.24 -1.28 116.55 121.49 1auy n ASP 143 Ca -0.15 -2.00 0.13 0.00 0.52 0.00 0.00 54.79 53.29 1auy n ASP 143 Cb 0.52 1.88 0.46 0.00 -0.72 0.00 0.00 41.12 43.26 1auy n ASP 143 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1auy h SER 144 N 1.14 0.00 -3.73 1.67 0.02 -2.03 -3.44 113.55 107.18 1auy h SER 144 Ca -0.18 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.34 1auy h SER 144 Cb 0.70 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.07 1auy h SER 144 CO 0.23 0.00 -0.75 0.27 -1.14 0.00 0.00 176.83 175.44 1auy s ILE 145 N -3.25 1.50 -0.16 3.27 -4.36 -1.26 -5.12 121.20 111.82 1auy s ILE 145 Ca 0.07 -1.92 -0.22 0.00 -0.26 0.00 0.00 60.65 58.31 1auy s ILE 145 Cb 0.10 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 1auy s ILE 145 CO 0.50 -0.49 0.70 -1.58 0.24 0.00 0.00 174.94 174.31 1auy s GLN 146 N -3.08 4.28 0.10 0.37 2.00 -1.26 -4.96 119.66 117.11 1auy s GLN 146 Ca 0.15 0.77 -0.05 0.00 -2.00 0.00 0.00 55.36 54.23 1auy s GLN 146 Cb -0.03 -3.55 -0.05 0.00 0.80 0.00 0.00 33.01 30.18 1auy s GLN 146 CO 0.04 -0.20 0.33 0.71 -0.50 0.00 0.00 175.29 175.67 1auy s TYR 147 N 1.76 3.51 -0.18 1.67 2.02 -1.26 -5.01 117.35 119.85 1auy s TYR 147 Ca 0.33 0.52 0.21 0.00 -0.37 0.00 0.00 57.07 57.76 1auy s TYR 147 Cb -0.16 -1.97 -0.07 0.00 -0.40 0.00 0.00 41.96 39.35 1auy s TYR 147 CO 0.12 0.50 0.91 1.28 -1.57 0.00 0.00 175.55 176.80 1auy n LEU 148 N 0.39 0.75 -1.61 -1.29 4.77 -1.26 -4.45 117.00 114.30 1auy n LEU 148 Ca -0.05 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 1auy n LEU 148 Cb 0.52 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.74 1auy n LEU 148 CO 0.47 -0.07 0.73 -0.90 -1.33 0.00 0.00 177.39 176.29 1auy n ASP 149 N -2.69 3.93 -4.67 -1.43 5.68 -1.26 -2.04 116.55 114.06 1auy n ASP 149 Ca -0.04 -3.78 -0.30 0.00 -0.50 0.00 0.00 54.79 50.18 1auy n ASP 149 Cb 0.64 -0.64 0.16 0.00 -1.14 0.00 0.00 41.12 40.14 1auy n ASP 149 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1auy s SER 150 N -2.61 2.98 0.36 -1.12 0.15 -1.25 -1.37 113.70 110.84 1auy s SER 150 Ca 0.50 1.63 -0.27 0.00 0.70 0.00 0.00 55.95 58.51 1auy s SER 150 Cb 0.43 -2.28 -0.10 0.00 -1.71 0.00 0.00 66.02 62.36 1auy s SER 150 CO 0.01 -2.97 1.30 -2.84 1.20 0.00 0.00 173.24 169.94 1auy s PRO 151 N -4.80 4.19 -0.04 5.44 0.02 -1.23 0.01 135.00 138.58 1auy s PRO 151 Ca 0.65 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.86 1auy s PRO 151 Cb -0.20 -2.93 0.02 0.00 0.02 0.00 0.00 34.50 31.41 1auy s PRO 151 CO 0.58 -0.31 -0.07 0.21 -0.33 0.00 0.00 177.00 177.08 1auy s LYS 152 N -2.00 1.00 -0.10 5.54 2.20 -0.34 -1.26 119.74 124.78 1auy s LYS 152 Ca 0.52 -0.19 -0.07 0.00 -0.36 0.00 0.00 55.97 55.87 1auy s LYS 152 Cb -0.39 -0.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.96 1auy s LYS 152 CO 0.51 -0.02 0.15 -1.17 -0.36 0.00 0.00 175.35 174.46 1auy s LEU 153 N 0.72 4.39 -0.13 5.43 2.96 0.35 -1.43 118.68 130.96 1auy s LEU 153 Ca -0.11 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1auy s LEU 153 Cb -0.14 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 1auy s LEU 153 CO 0.01 0.39 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.51 1auy s LEU 154 N -1.14 2.48 0.03 -0.68 1.43 -0.35 -1.33 118.68 119.11 1auy s LEU 154 Ca 0.17 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1auy s LEU 154 Cb -0.12 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1auy s LEU 154 CO 0.06 0.13 -0.21 -0.63 0.23 0.00 0.00 176.35 175.93 1auy s ILE 155 N 0.54 1.70 -0.31 -0.59 1.01 -0.09 -1.96 121.20 121.49 1auy s ILE 155 Ca -0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1auy s ILE 155 Cb -0.16 -1.45 0.13 0.00 0.01 0.00 0.00 42.46 40.98 1auy s ILE 155 CO 0.04 0.29 0.23 -0.55 0.00 0.00 0.00 174.94 174.95 1auy s SER 156 N -0.99 2.56 -0.09 3.58 0.15 -0.10 -1.10 113.70 117.71 1auy s SER 156 Ca 0.08 -1.39 -0.12 0.00 0.70 0.00 0.00 55.95 55.23 1auy s SER 156 Cb -0.09 0.00 -0.05 0.00 -1.71 0.00 0.00 66.02 64.18 1auy s SER 156 CO 0.01 -0.37 0.27 -0.63 1.20 0.00 0.00 173.24 173.72 1auy s ILE 157 N 1.85 5.28 -0.19 6.45 1.09 0.82 -1.11 121.20 135.39 1auy s ILE 157 Ca 0.12 0.52 -0.04 0.00 -1.10 0.00 0.00 60.65 60.15 1auy s ILE 157 Cb -0.17 -3.57 0.06 0.00 -1.06 0.00 0.00 42.46 37.72 1auy s ILE 157 CO -0.23 0.54 0.07 0.42 -0.10 0.00 0.00 174.94 175.64 1auy s THR 158 N -0.62 0.20 0.63 2.92 -4.23 0.43 -0.41 115.64 114.56 1auy s THR 158 Ca 0.18 -0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 1auy s THR 158 Cb -0.14 -0.81 0.06 0.00 1.34 0.00 0.00 72.50 72.95 1auy s THR 158 CO 0.07 -0.28 0.89 0.00 -0.54 0.00 0.00 174.62 174.76 1auy s ALA 159 N 2.01 3.63 0.29 3.99 0.00 -1.26 -1.36 121.76 129.05 1auy s ALA 159 Ca 0.01 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 1auy s ALA 159 Cb -0.16 -2.23 -0.10 0.00 0.00 0.00 0.00 23.12 20.62 1auy s ALA 159 CO -0.10 -1.06 1.45 -0.65 0.00 0.00 0.00 175.76 175.40 1auy s GLN 160 N -4.98 4.23 0.27 0.00 -1.52 -1.26 -4.85 119.66 111.55 1auy s GLN 160 Ca 0.60 2.38 -0.01 0.00 -1.95 0.00 0.00 55.36 56.38 1auy s GLN 160 Cb -0.09 -3.06 0.46 0.00 -0.22 0.00 0.00 33.01 30.10 1auy s GLN 160 CO 0.41 -0.44 1.87 -1.00 -0.25 0.00 0.00 175.29 175.89 1auy h PRO 161 N 4.37 1.08 -4.67 2.91 0.13 -1.97 -3.08 132.00 130.77 1auy h PRO 161 Ca -0.47 -0.07 -0.72 0.00 -0.87 0.00 0.00 66.00 63.87 1auy h PRO 161 Cb 1.22 -0.24 -0.20 0.00 0.13 0.00 0.00 31.00 31.91 1auy h PRO 161 CO 0.74 0.72 0.60 0.99 -0.23 0.00 0.00 178.00 180.81 1auy s THR 162 N -6.01 4.99 0.59 1.56 2.01 -1.26 -5.01 115.64 112.52 1auy s THR 162 Ca -0.12 -1.82 -0.18 0.00 0.31 0.00 0.00 61.69 59.88 1auy s THR 162 Cb 0.21 -4.68 -0.06 0.00 0.01 0.00 0.00 72.50 67.97 1auy s THR 162 CO 0.81 -1.36 0.74 0.00 -0.69 0.00 0.00 174.62 174.12 1auy n ALA 163 N 5.79 -0.51 -1.81 7.40 0.00 -1.17 -5.02 120.51 125.20 1auy n ALA 163 Ca 0.20 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 1auy n ALA 163 Cb 0.48 -1.97 0.02 0.00 0.00 0.00 0.00 19.45 17.99 1auy n ALA 163 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1auy s PRO 164 N -2.46 3.36 0.10 0.00 0.02 -1.26 -4.97 135.00 129.80 1auy s PRO 164 Ca 0.73 0.75 -0.19 0.00 0.02 0.00 0.00 61.00 62.31 1auy s PRO 164 Cb -0.42 -2.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 1auy s PRO 164 CO 0.50 -0.74 1.64 -1.35 -0.33 0.00 0.00 177.00 176.72 1auy h PRO 165 N -0.44 0.40 -5.06 5.54 0.11 -1.97 -3.46 132.00 127.12 1auy h PRO 165 Ca -0.44 -0.08 -0.58 0.00 0.11 0.00 0.00 66.00 65.01 1auy h PRO 165 Cb 1.20 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 1auy h PRO 165 CO 0.61 0.45 -0.51 0.00 -0.21 0.00 0.00 178.00 178.34 1auy s ALA 166 N -5.49 3.15 0.33 -0.75 0.00 -1.26 -5.07 121.76 112.67 1auy s ALA 166 Ca -0.13 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.48 1auy s ALA 166 Cb 0.08 0.64 -0.10 0.00 0.00 0.00 0.00 23.12 23.74 1auy s ALA 166 CO 0.73 -0.29 1.29 -1.12 0.00 0.00 0.00 175.76 176.36 1auy s SER 167 N -3.66 6.78 0.19 0.00 0.01 -1.26 -4.59 113.70 111.17 1auy s SER 167 Ca 0.20 2.65 0.24 0.00 1.31 0.00 0.00 55.95 60.35 1auy s SER 167 Cb 0.02 -2.65 0.33 0.00 0.21 0.00 0.00 66.02 63.93 1auy s SER 167 CO 0.13 -0.52 1.35 0.71 0.41 0.00 0.00 173.24 175.32 1auy h THR 168 N 2.99 0.00 -1.76 1.44 1.35 -0.92 -3.42 112.91 112.60 1auy h THR 168 Ca -0.49 -0.66 0.02 0.00 -0.55 0.00 0.00 66.41 64.73 1auy h THR 168 Cb 1.23 1.33 -0.23 0.00 -1.73 0.00 0.00 68.15 68.75 1auy h THR 168 CO 0.65 0.00 0.36 0.00 -0.25 0.00 0.00 175.52 176.28 1auy s ILE 170 N -0.37 5.01 -0.22 0.00 1.01 0.17 -1.25 121.20 125.55 1auy s ILE 170 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 1auy s ILE 170 Cb -0.03 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 1auy s ILE 170 CO 0.01 0.49 0.01 -0.63 0.00 0.00 0.00 174.94 174.82 1auy s ILE 171 N 0.03 3.91 0.20 2.92 1.01 0.81 -0.83 121.20 129.25 1auy s ILE 171 Ca 0.07 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.50 1auy s ILE 171 Cb -0.12 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1auy s ILE 171 CO 0.00 0.40 -0.18 0.42 0.00 0.00 0.00 174.94 175.58 1auy s THR 172 N 1.33 1.96 -0.16 2.92 -4.23 -0.79 0.35 115.64 117.03 1auy s THR 172 Ca 0.04 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1auy s THR 172 Cb -0.15 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1auy s THR 172 CO 0.01 -0.40 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.79 1auy s VAL 173 N -2.39 2.10 0.22 2.29 1.01 -0.05 -1.14 120.40 122.43 1auy s VAL 173 Ca 0.21 -0.95 0.11 0.00 0.00 0.00 0.00 61.98 61.36 1auy s VAL 173 Cb -0.04 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1auy s VAL 173 CO 0.09 0.54 -0.22 -0.44 0.00 0.00 0.00 175.10 175.06 1auy s SER 174 N 1.07 3.43 0.00 3.32 0.01 -0.41 -0.74 113.70 120.37 1auy s SER 174 Ca -0.01 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1auy s SER 174 Cb -0.14 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1auy s SER 174 CO -0.08 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1auy n GLY 175 N -0.03 -1.05 2.88 3.44 0.00 0.12 -0.69 105.19 109.86 1auy n GLY 175 Ca -0.10 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1auy n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1auy s THR 176 N -3.00 0.41 -0.06 2.61 2.01 -0.52 -0.29 115.64 116.80 1auy s THR 176 Ca 0.00 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 1auy s THR 176 Cb 0.00 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1auy s THR 176 CO 0.00 0.18 0.02 -0.76 -0.69 0.00 0.00 174.62 173.37 1auy s LEU 177 N 0.74 3.63 -0.26 4.42 1.43 0.29 0.54 118.68 129.47 1auy s LEU 177 Ca -0.09 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1auy s LEU 177 Cb -0.12 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1auy s LEU 177 CO -0.00 0.34 -0.04 -0.55 0.23 0.00 0.00 176.35 176.33 1auy s SER 178 N -1.16 4.48 0.25 2.29 0.15 0.60 -1.22 113.70 119.10 1auy s SER 178 Ca 0.16 -0.88 0.09 0.00 0.70 0.00 0.00 55.95 56.01 1auy s SER 178 Cb -0.11 -1.70 -0.05 0.00 -1.71 0.00 0.00 66.02 62.45 1auy s SER 178 CO 0.06 -0.15 -0.13 -0.04 1.20 0.00 0.00 173.24 174.18 1auy s MET 179 N 1.34 1.51 0.10 5.44 1.00 0.24 -1.46 119.30 127.48 1auy s MET 179 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 55.69 53.71 1auy s MET 179 Cb -0.17 -1.33 0.08 0.00 0.00 0.00 0.00 34.83 33.41 1auy s MET 179 CO -0.03 0.17 0.99 -3.38 0.00 0.00 0.00 175.02 172.78 1auy s HIS 180 N -2.84 -0.15 -0.17 -0.03 -3.43 -0.49 -1.35 115.29 106.82 1auy s HIS 180 Ca 0.27 -0.10 -0.08 0.00 -0.80 0.00 0.00 55.06 54.35 1auy s HIS 180 Cb -0.00 0.61 0.03 0.00 -1.43 0.00 0.00 32.58 31.79 1auy s HIS 180 CO 0.11 -0.71 0.15 0.43 -2.00 0.00 0.00 174.74 172.72 1auy n SER 181 N -0.43 -2.01 -4.72 7.38 7.64 -1.26 -2.42 113.62 117.80 1auy n SER 181 Ca -0.07 1.06 -0.42 0.00 1.01 0.00 0.00 58.87 60.45 1auy n SER 181 Cb 0.61 -4.32 -0.03 0.00 -1.01 0.00 0.00 64.21 59.46 1auy n SER 181 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1auy s PRO 182 N -0.87 4.17 -0.11 1.43 0.04 -1.26 1.00 135.00 139.40 1auy s PRO 182 Ca -0.18 2.48 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 1auy s PRO 182 Cb 0.01 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 1auy s PRO 182 CO 0.62 -0.67 0.91 -1.17 0.04 0.00 0.00 177.00 176.73 1auy s LEU 183 N 1.04 4.24 -1.06 -3.56 2.96 -0.58 -4.64 118.68 117.08 1auy s LEU 183 Ca 0.72 1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 55.82 1auy s LEU 183 Cb -0.47 -3.40 0.11 0.00 0.50 0.00 0.00 46.19 42.94 1auy s LEU 183 CO 0.33 -0.38 1.36 -0.63 -1.32 0.00 0.00 176.35 175.70 1auy s ILE 184 N 1.84 4.48 0.00 6.68 -1.09 -1.26 -4.66 121.20 127.19 1auy s ILE 184 Ca 0.44 -1.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 1auy s ILE 184 Cb -0.18 -4.94 0.00 0.00 -1.58 0.00 0.00 42.46 35.76 1auy s ILE 184 CO 0.17 -1.72 0.00 1.07 -1.23 0.00 0.00 174.94 173.23 1auy n THR 185 N 5.84 0.00 -3.72 2.92 5.66 -1.26 -5.11 114.28 118.61 1auy n THR 185 Ca 0.32 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.95 1auy n THR 185 Cb 0.48 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.14 1auy n THR 185 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1auy s ASP 186 N 0.68 5.40 -0.11 1.09 2.15 -1.26 -4.96 116.67 119.66 1auy s ASP 186 Ca 0.00 -0.14 0.14 0.00 0.43 0.00 0.00 52.55 52.98 1auy s ASP 186 Cb 0.00 -1.98 0.59 0.00 -0.30 0.00 0.00 42.92 41.23 1auy s ASP 186 CO 0.00 -0.03 1.46 0.35 -0.17 0.00 0.00 175.17 176.78 1auy n THR 187 N 4.90 1.57 -0.28 1.71 -2.24 -1.26 -4.23 114.28 114.46 1auy n THR 187 Ca -0.16 -0.96 0.10 0.00 -2.27 0.00 0.00 64.05 60.76 1auy n THR 187 Cb 0.52 -0.02 0.34 0.00 -2.10 0.00 0.00 70.33 69.06 1auy n THR 187 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1auy h SER 188 N 3.26 0.73 0.00 3.42 0.87 -2.07 -3.55 113.55 116.20 1auy h SER 188 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1auy h SER 188 Cb 1.29 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1auy h SER 188 CO 0.22 0.40 0.00 0.35 -0.53 0.00 0.00 176.83 177.27