#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2a s ALA 2 N 0.00 3.80 0.24 0.00 0.00 -1.26 -5.25 121.76 119.28 2r2a s ALA 2 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 2r2a s ALA 2 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 2r2a s ALA 2 CO 0.00 0.58 0.41 -1.83 0.00 0.00 0.00 175.76 174.92 2r2a s GLU 3 N -1.43 1.49 -0.22 0.00 -1.05 -1.26 -4.83 118.70 111.40 2r2a s GLU 3 Ca 0.24 -1.36 -0.07 0.00 -0.15 0.00 0.00 54.97 53.64 2r2a s GLU 3 Cb -0.14 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2r2a s GLU 3 CO 0.13 -0.60 0.06 0.42 0.95 0.00 0.00 175.26 176.22 2r2a s ILE 4 N -4.00 4.43 -0.11 1.83 1.01 -1.26 -1.87 121.20 121.24 2r2a s ILE 4 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2r2a s ILE 4 Cb 0.01 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 2r2a s ILE 4 CO 0.10 0.39 -0.15 0.00 0.00 0.00 0.00 174.94 175.28 2r2a s LEU 6 N 0.10 2.96 -0.11 0.00 2.96 0.19 -0.66 118.68 124.12 2r2a s LEU 6 Ca -0.07 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2r2a s LEU 6 Cb -0.15 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.90 2r2a s LEU 6 CO 0.05 0.26 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.58 2r2a s ILE 7 N -0.18 1.35 0.25 6.68 1.01 0.06 -0.46 121.20 129.92 2r2a s ILE 7 Ca 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2r2a s ILE 7 Cb -0.13 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2r2a s ILE 7 CO 0.03 0.42 -0.02 0.42 0.00 0.00 0.00 174.94 175.78 2r2a s THR 8 N 1.20 1.26 0.00 2.92 -4.23 -0.21 -1.40 115.64 115.19 2r2a s THR 8 Ca -0.03 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2r2a s THR 8 Cb -0.14 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2r2a s THR 8 CO -0.04 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 2r2a n GLY 9 N -0.49 3.91 3.74 3.99 0.00 -1.15 -1.33 105.19 113.87 2r2a n GLY 9 Ca -0.05 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 2r2a n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r2a s THR 10 N -2.00 2.76 0.28 2.61 -4.23 -1.26 -4.20 115.64 109.59 2r2a s THR 10 Ca 0.00 0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 60.57 2r2a s THR 10 Cb 0.00 -2.88 -0.13 0.00 1.34 0.00 0.00 72.50 70.83 2r2a s THR 10 CO 0.00 -0.21 1.29 -2.65 -0.54 0.00 0.00 174.62 172.50 2r2a n PRO 11 N -2.64 1.89 -0.67 3.99 -0.02 -1.26 -1.11 135.00 135.19 2r2a n PRO 11 Ca 0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2r2a n PRO 11 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2r2a n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2a n GLY 12 N 1.52 1.15 0.20 -1.23 0.00 -1.26 -4.92 105.19 100.65 2r2a n GLY 12 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2r2a n GLY 12 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r2a h SER 13 N 0.00 0.00 0.00 1.61 4.64 -1.46 -3.47 113.55 114.87 2r2a h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r2a h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2r2a h SER 13 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2r2a n GLY 14 N 0.48 1.53 0.14 -0.77 0.00 -1.26 -5.00 105.19 100.31 2r2a n GLY 14 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2r2a n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r2a h LYS 15 N 0.00 0.39 -0.38 1.61 1.57 -1.91 -0.94 116.57 116.91 2r2a h LYS 15 Ca 0.00 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2r2a h LYS 15 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2r2a h LYS 15 CO 0.00 0.45 0.11 1.15 -0.57 0.00 0.00 179.45 180.59 2r2a h THR 16 N 0.25 1.22 -0.83 -0.16 2.02 -1.99 -2.96 112.91 110.46 2r2a h THR 16 Ca 0.08 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 2r2a h THR 16 Cb 0.22 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2r2a h THR 16 CO -0.00 0.25 0.39 -0.07 0.37 0.00 0.00 175.52 176.46 2r2a h LEU 17 N 0.47 1.09 -1.62 2.58 3.38 -1.98 0.06 115.31 119.29 2r2a h LEU 17 Ca 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2r2a h LEU 17 Cb 0.28 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2r2a h LEU 17 CO -0.00 0.93 0.00 1.17 0.09 0.00 0.00 178.44 180.63 2r2a n LYS 18 N -4.32 0.00 0.00 1.13 3.00 -0.36 -0.85 118.16 116.76 2r2a n LYS 18 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2r2a n LYS 18 Cb 0.15 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 33.92 2r2a n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2r2a n VAL 20 N 0.77 0.00 -0.80 3.15 0.31 0.01 -5.03 118.33 116.75 2r2a n VAL 20 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 2r2a n VAL 20 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2r2a n VAL 20 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2r2a n SER 21 N 0.00 0.54 0.00 4.52 2.88 -0.03 -4.65 113.62 116.88 2r2a n SER 21 Ca 0.00 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 2r2a n SER 21 Cb 0.00 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2r2a n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2r2a n ALA 24 N 9.64 0.00 0.00 -1.46 0.00 -1.26 -4.54 120.51 122.89 2r2a n ALA 24 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2r2a n ALA 24 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2r2a n ALA 24 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2r2a n ASN 25 N 0.20 4.57 -4.79 0.00 5.15 -1.26 -5.08 115.26 114.05 2r2a n ASN 25 Ca 0.00 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 2r2a n ASN 25 Cb 0.00 0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 39.51 2r2a n ASN 25 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2r2a s ASP 26 N -3.35 6.99 0.00 1.20 1.01 -1.26 -5.01 116.67 116.24 2r2a s ASP 26 Ca 0.00 1.90 0.00 0.00 0.71 0.00 0.00 52.55 55.16 2r2a s ASP 26 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2r2a s ASP 26 CO 0.00 -0.33 0.14 1.21 0.21 0.00 0.00 175.17 176.41 2r2a n GLU 27 N 0.03 0.00 0.00 8.23 4.07 -1.26 -3.78 120.64 127.93 2r2a n GLU 27 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2r2a n GLU 27 Cb 0.51 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 2r2a n GLU 27 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2r2a n PHE 29 N 2.16 0.00 -2.49 4.31 3.01 -1.26 -4.81 117.46 118.38 2r2a n PHE 29 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 2r2a n PHE 29 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 2r2a n PHE 29 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2r2a s LYS 30 N 0.00 3.61 0.49 -1.08 1.02 -1.25 -4.81 119.74 117.73 2r2a s LYS 30 Ca 0.00 0.40 -0.23 0.00 0.02 0.00 0.00 55.97 56.16 2r2a s LYS 30 Cb 0.00 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.94 2r2a s LYS 30 CO 0.00 -0.26 1.37 -1.25 -0.92 0.00 0.00 175.35 174.28 2r2a s PRO 31 N -4.65 3.44 0.00 -1.68 0.04 -1.26 -4.61 135.00 126.28 2r2a s PRO 31 Ca 0.50 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2r2a s PRO 31 Cb -0.10 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2r2a s PRO 31 CO 0.44 -0.96 0.00 -0.40 0.04 0.00 0.00 177.00 176.12 2r2a n ASP 32 N -0.60 0.00 0.07 6.66 5.68 -0.01 -4.79 116.55 123.56 2r2a n ASP 32 Ca 0.08 -0.77 0.07 0.00 -0.50 0.00 0.00 54.79 53.67 2r2a n ASP 32 Cb 0.44 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.75 2r2a n ASP 32 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2r2a n GLU 33 N -0.77 0.08 -0.35 0.11 0.28 -1.26 -1.79 120.64 116.94 2r2a n GLU 33 Ca 0.00 0.47 0.08 0.00 -0.16 0.00 0.00 57.16 57.55 2r2a n GLU 33 Cb 0.00 -1.71 0.25 0.00 1.43 0.00 0.00 31.44 31.41 2r2a n GLU 33 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2r2a n ASN 34 N -1.86 3.68 -0.15 -1.84 3.02 -1.26 -4.96 115.26 111.89 2r2a n ASN 34 Ca 0.01 -2.24 -0.02 0.00 -0.03 0.00 0.00 54.58 52.30 2r2a n ASN 34 Cb 0.09 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.85 2r2a n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r2a n GLY 35 N 0.73 0.52 3.53 7.41 0.00 -0.74 -5.03 105.19 111.62 2r2a n GLY 35 Ca 0.19 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2r2a n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r2a s ILE 36 N -1.90 4.55 0.14 -0.61 1.01 -1.26 -4.67 121.20 118.45 2r2a s ILE 36 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 2r2a s ILE 36 Cb 0.00 -3.09 -0.07 0.00 0.01 0.00 0.00 42.46 39.30 2r2a s ILE 36 CO 0.00 0.38 0.67 -0.13 0.00 0.00 0.00 174.94 175.86 2r2a s ARG 37 N 1.10 4.31 0.30 2.79 0.52 -1.26 -0.83 118.95 125.88 2r2a s ARG 37 Ca 0.04 0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 55.84 2r2a s ARG 37 Cb -0.14 -3.15 -0.12 0.00 0.52 0.00 0.00 34.95 32.06 2r2a s ARG 37 CO 0.03 0.56 1.50 0.54 0.02 0.00 0.00 175.30 177.95 2r2a n ARG 38 N 1.41 2.48 -1.72 3.54 1.74 -1.26 -4.92 116.66 117.92 2r2a n ARG 38 Ca -0.07 0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 57.46 2r2a n ARG 38 Cb 0.50 -2.60 -0.02 0.00 -1.02 0.00 0.00 32.46 29.32 2r2a n ARG 38 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2r2a n LYS 39 N 1.61 2.50 -4.64 5.56 4.81 -1.26 -4.83 118.16 121.91 2r2a n LYS 39 Ca 0.07 0.89 -0.33 0.00 -0.87 0.00 0.00 58.31 58.07 2r2a n LYS 39 Cb 0.36 -2.64 -0.15 0.00 0.02 0.00 0.00 35.03 32.62 2r2a n LYS 39 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2r2a s VAL 40 N 0.01 2.92 -0.18 3.15 1.01 -1.26 -0.49 120.40 125.55 2r2a s VAL 40 Ca 0.66 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 2r2a s VAL 40 Cb -0.54 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2r2a s VAL 40 CO 0.48 0.51 -0.03 -0.36 0.00 0.00 0.00 175.10 175.71 2r2a s PHE 41 N 0.59 3.00 -0.03 5.22 0.40 0.75 -0.85 117.98 127.06 2r2a s PHE 41 Ca -0.08 -0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 55.54 2r2a s PHE 41 Cb -0.16 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.40 2r2a s PHE 41 CO 0.03 -0.21 0.48 -0.08 0.70 0.00 0.00 175.22 176.14 2r2a s THR 42 N 0.80 0.03 -2.56 0.64 -1.32 -0.38 -0.44 115.64 112.41 2r2a s THR 42 Ca -0.01 -0.25 0.24 0.00 -1.21 0.00 0.00 61.69 60.46 2r2a s THR 42 Cb -0.14 -0.79 0.41 0.00 -1.51 0.00 0.00 72.50 70.46 2r2a s THR 42 CO 0.02 -0.14 1.50 -0.46 -2.21 0.00 0.00 174.62 173.33 2r2a n ASN 43 N 1.13 2.32 -4.70 8.08 6.94 -1.22 -2.30 115.26 125.50 2r2a n ASN 43 Ca -0.20 -1.78 -0.42 0.00 -0.02 0.00 0.00 54.58 52.15 2r2a n ASN 43 Cb 0.56 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.88 2r2a n ASN 43 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2r2a s ILE 44 N -1.84 3.23 0.34 1.53 1.01 -1.26 -4.93 121.20 119.29 2r2a s ILE 44 Ca 0.34 0.76 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 2r2a s ILE 44 Cb 0.20 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2r2a s ILE 44 CO 0.30 0.02 0.58 -0.54 0.00 0.00 0.00 174.94 175.30 2r2a s LYS 45 N 2.00 3.53 -0.36 2.79 -0.14 -1.26 -4.35 119.74 121.95 2r2a s LYS 45 Ca 0.68 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.12 2r2a s LYS 45 Cb -0.37 -2.63 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 2r2a s LYS 45 CO 0.30 0.13 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 2r2a n GLY 46 N -1.58 0.60 3.66 -3.33 0.00 -1.26 -4.80 105.19 98.49 2r2a n GLY 46 Ca -0.03 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2r2a n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r2a s LEU 47 N -0.77 4.15 0.00 0.99 2.96 -1.26 -0.93 118.68 123.81 2r2a s LEU 47 Ca 0.00 1.11 0.26 0.00 -0.22 0.00 0.00 54.13 55.27 2r2a s LEU 47 Cb 0.00 -3.19 0.64 0.00 0.50 0.00 0.00 46.19 44.14 2r2a s LEU 47 CO 0.00 -0.42 1.50 0.29 -1.32 0.00 0.00 176.35 176.40 2r2a n LYS 48 N 5.42 0.11 -3.19 1.98 5.02 0.16 -4.83 118.16 122.83 2r2a n LYS 48 Ca 0.04 -0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 55.91 2r2a n LYS 48 Cb 0.48 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 2r2a n LYS 48 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2r2a s ILE 49 N -2.93 4.67 0.33 -0.18 -1.16 -1.25 -5.02 121.20 115.66 2r2a s ILE 49 Ca 0.13 1.12 -0.29 0.00 -0.51 0.00 0.00 60.65 61.11 2r2a s ILE 49 Cb 0.18 -3.81 -0.11 0.00 0.61 0.00 0.00 42.46 39.33 2r2a s ILE 49 CO 0.65 0.22 1.52 -2.84 -2.81 0.00 0.00 174.94 171.69 2r2a s PRO 50 N -1.96 4.13 0.13 3.50 0.02 -1.26 -4.99 135.00 134.57 2r2a s PRO 50 Ca 0.41 2.54 -0.26 0.00 0.02 0.00 0.00 61.00 63.72 2r2a s PRO 50 Cb -0.16 -3.01 0.07 0.00 0.02 0.00 0.00 34.50 31.43 2r2a s PRO 50 CO 0.20 -0.56 1.02 -3.38 -0.33 0.00 0.00 177.00 173.96 2r2a s HIS 51 N -0.55 -0.10 -0.12 6.54 -3.43 -1.26 -4.67 115.29 111.68 2r2a s HIS 51 Ca 0.58 -0.17 -0.02 0.00 -0.80 0.00 0.00 55.06 54.64 2r2a s HIS 51 Cb -0.47 0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 31.28 2r2a s HIS 51 CO 0.55 -0.74 -0.04 0.99 -2.00 0.00 0.00 174.74 173.49 2r2a s THR 52 N -3.09 3.87 0.31 -5.38 2.01 -0.03 -5.00 115.64 108.33 2r2a s THR 52 Ca 0.13 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.47 2r2a s THR 52 Cb -0.00 -2.66 -0.09 0.00 0.01 0.00 0.00 72.50 69.76 2r2a s THR 52 CO 0.01 0.53 1.11 -0.47 -0.69 0.00 0.00 174.62 175.12 2r2a s TYR 53 N -0.08 3.45 -0.05 4.92 6.14 -1.26 -1.25 117.35 129.23 2r2a s TYR 53 Ca 0.02 1.66 0.05 0.00 0.64 0.00 0.00 57.07 59.44 2r2a s TYR 53 Cb -0.13 -3.29 -0.01 0.00 0.42 0.00 0.00 41.96 38.95 2r2a s TYR 53 CO 0.03 -0.71 -0.20 0.96 0.64 0.00 0.00 175.55 176.27 2r2a s ILE 54 N -1.27 1.64 -0.24 3.14 -4.36 -0.97 -4.57 121.20 114.57 2r2a s ILE 54 Ca 0.48 -0.84 -0.25 0.00 -0.26 0.00 0.00 60.65 59.78 2r2a s ILE 54 Cb -0.31 -1.40 -0.00 0.00 1.25 0.00 0.00 42.46 42.00 2r2a s ILE 54 CO 0.39 0.47 0.87 -0.70 0.24 0.00 0.00 174.94 176.21 2r2a s GLU 55 N -0.07 4.20 -0.00 0.37 2.56 -0.57 -4.14 118.70 121.05 2r2a s GLU 55 Ca -0.03 1.03 0.21 0.00 0.00 0.00 0.00 54.97 56.18 2r2a s GLU 55 Cb -0.12 -3.64 -0.20 0.00 2.00 0.00 0.00 34.13 32.17 2r2a s GLU 55 CO 0.02 -0.53 0.91 0.25 -0.56 0.00 0.00 175.26 175.36 2r2a n THR 56 N 5.24 0.00 -2.91 -1.70 -2.24 -1.26 0.13 114.28 111.54 2r2a n THR 56 Ca 0.07 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 2r2a n THR 56 Cb 0.47 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.60 2r2a n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r2a s ASP 57 N -3.04 6.32 0.13 3.42 -1.08 -1.26 -4.56 116.67 116.59 2r2a s ASP 57 Ca 0.08 -0.47 0.11 0.00 -0.52 0.00 0.00 52.55 51.75 2r2a s ASP 57 Cb 0.16 -2.40 0.55 0.00 -1.46 0.00 0.00 42.92 39.77 2r2a s ASP 57 CO 0.86 -1.14 1.34 0.00 0.52 0.00 0.00 175.17 176.76 2r2a n ALA 58 N 7.14 1.17 0.83 3.66 0.00 -1.26 -0.82 120.51 131.24 2r2a n ALA 58 Ca -0.00 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2r2a n ALA 58 Cb 0.47 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.91 2r2a n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2r2a n LYS 59 N -1.81 0.11 -0.11 0.00 4.76 -1.26 -2.71 118.16 117.14 2r2a n LYS 59 Ca 0.00 0.01 -0.19 0.00 -2.87 0.00 0.00 58.31 55.27 2r2a n LYS 59 Cb 0.06 -1.55 -0.12 0.00 -1.84 0.00 0.00 35.03 31.57 2r2a n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2r2a n LYS 60 N -1.71 0.67 -3.38 1.97 5.02 0.00 -4.88 118.16 115.85 2r2a n LYS 60 Ca 0.04 0.17 -0.19 0.00 -2.02 0.00 0.00 58.31 56.31 2r2a n LYS 60 Cb 0.37 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 2r2a n LYS 60 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2r2a s LEU 61 N -6.62 0.11 0.38 -0.35 0.20 -0.65 -5.00 118.68 106.75 2r2a s LEU 61 Ca -0.33 -1.69 0.27 0.00 0.69 0.00 0.00 54.13 53.07 2r2a s LEU 61 Cb 0.09 0.41 0.95 0.00 -0.43 0.00 0.00 46.19 47.21 2r2a s LEU 61 CO 0.62 -0.26 1.79 1.55 -0.29 0.00 0.00 176.35 179.76 2r2a h PRO 62 N 7.03 0.00 -3.20 0.98 0.13 -1.74 -3.40 132.00 131.79 2r2a h PRO 62 Ca 0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.96 2r2a h PRO 62 Cb 1.04 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.87 2r2a h PRO 62 CO 0.21 0.00 -0.56 0.21 -0.23 0.00 0.00 178.00 177.63 2r2a s LYS 63 N -3.37 0.13 1.13 0.86 2.20 -1.26 -4.58 119.74 114.84 2r2a s LYS 63 Ca 0.05 0.40 -0.14 0.00 -0.36 0.00 0.00 55.97 55.91 2r2a s LYS 63 Cb 0.09 -0.13 0.26 0.00 -1.51 0.00 0.00 37.83 36.53 2r2a s LYS 63 CO 0.53 -0.15 1.06 -1.12 -0.36 0.00 0.00 175.35 175.31 2r2a s SER 64 N 1.07 1.43 0.10 1.43 0.01 -1.26 -4.68 113.70 111.80 2r2a s SER 64 Ca -0.08 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2r2a s SER 64 Cb -0.10 -1.81 -0.00 0.00 0.21 0.00 0.00 66.02 64.32 2r2a s SER 64 CO -0.06 -3.87 0.01 0.35 0.41 0.00 0.00 173.24 170.08 2r2a n THR 65 N -4.67 0.00 0.23 1.44 -2.24 -0.75 -4.94 114.28 103.36 2r2a n THR 65 Ca 0.06 -0.51 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 2r2a n THR 65 Cb 0.57 0.13 0.16 0.00 -2.10 0.00 0.00 70.33 69.09 2r2a n THR 65 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2r2a n ASP 66 N -1.34 2.92 0.00 3.42 5.68 -1.26 -4.47 116.55 121.50 2r2a n ASP 66 Ca -0.03 -2.38 0.00 0.00 -0.50 0.00 0.00 54.79 51.88 2r2a n ASP 66 Cb 0.13 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 2r2a n ASP 66 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2r2a n GLU 67 N 0.25 0.00 -3.29 0.11 2.13 -1.26 -5.11 120.64 113.48 2r2a n GLU 67 Ca 0.11 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.56 2r2a n GLU 67 Cb 0.64 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.29 2r2a n GLU 67 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2r2a s GLN 68 N 0.00 4.12 -0.14 5.31 -0.21 -1.26 -5.06 119.66 122.42 2r2a s GLN 68 Ca 0.00 0.66 -0.10 0.00 0.02 0.00 0.00 55.36 55.93 2r2a s GLN 68 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 2r2a s GLN 68 CO 0.00 0.56 0.20 -0.51 -2.12 0.00 0.00 175.29 173.42 2r2a s LEU 69 N -1.49 4.30 -0.06 2.90 1.43 -1.26 -1.80 118.68 122.70 2r2a s LEU 69 Ca 0.33 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 2r2a s LEU 69 Cb -0.18 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2r2a s LEU 69 CO 0.19 0.25 0.04 -0.55 0.23 0.00 0.00 176.35 176.51 2r2a s SER 70 N -0.20 5.51 0.51 2.29 0.15 -1.26 -1.51 113.70 119.19 2r2a s SER 70 Ca 0.14 0.18 0.30 0.00 0.70 0.00 0.00 55.95 57.27 2r2a s SER 70 Cb -0.12 -1.59 1.24 0.00 -1.71 0.00 0.00 66.02 63.84 2r2a s SER 70 CO 0.03 0.35 1.95 0.00 1.20 0.00 0.00 173.24 176.76 2r2a h ALA 71 N 4.80 1.03 0.00 5.45 0.00 -0.60 -3.19 119.26 126.75 2r2a h ALA 71 Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2r2a h ALA 71 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2r2a h ALA 71 CO 0.57 0.11 0.00 0.45 0.00 0.00 0.00 179.25 180.38 2r2a h HIS 72 N 0.00 0.00 -3.68 0.00 3.86 -1.85 -3.43 115.15 110.04 2r2a h HIS 72 Ca -0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 2r2a h HIS 72 Cb 0.57 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.66 2r2a h HIS 72 CO 0.00 0.00 -0.79 0.16 0.86 0.00 0.00 177.93 178.16 2r2a s ASP 73 N -5.10 3.97 0.00 2.45 3.84 -1.21 -4.72 116.67 115.90 2r2a s ASP 73 Ca 0.04 -1.22 0.00 0.00 -0.00 0.00 0.00 52.55 51.38 2r2a s ASP 73 Cb 0.09 -1.27 0.00 0.00 -1.38 0.00 0.00 42.92 40.36 2r2a s ASP 73 CO 0.51 -0.22 0.00 0.00 -0.00 0.00 0.00 175.17 175.46 2r2a n TYR 75 N 4.61 0.00 -0.03 2.11 4.11 -1.26 -3.03 117.16 123.68 2r2a n TYR 75 Ca -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.76 2r2a n TYR 75 Cb 0.44 -0.05 -0.00 0.00 -0.00 0.00 0.00 39.34 39.73 2r2a n TYR 75 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 2r2a h GLU 76 N 0.00 0.00 0.00 -3.48 5.08 -1.95 -3.41 114.58 110.82 2r2a h GLU 76 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2r2a h GLU 76 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2r2a h GLU 76 CO 0.00 0.00 -0.35 0.11 -1.00 0.00 0.00 179.01 177.77 2r2a h TRP 77 N -0.39 0.00 0.00 4.33 5.08 -1.95 -2.34 115.95 120.69 2r2a h TRP 77 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2r2a h TRP 77 Cb 0.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 2r2a h TRP 77 CO -0.06 0.35 0.00 0.97 -1.28 0.00 0.00 178.44 178.41 2r2a h ILE 78 N 0.00 0.00 -0.00 0.12 6.09 -1.83 -1.16 117.51 120.72 2r2a h ILE 78 Ca -0.00 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 2r2a h ILE 78 Cb 0.63 0.66 0.00 0.00 0.47 0.00 0.00 36.82 38.59 2r2a h ILE 78 CO 0.05 0.00 -0.41 0.29 -3.07 0.00 0.00 178.15 175.01 2r2a n LYS 79 N -2.54 0.12 -1.91 2.19 4.76 -0.88 -4.14 118.16 115.76 2r2a n LYS 79 Ca -0.02 -0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 54.95 2r2a n LYS 79 Cb 0.05 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.73 2r2a n LYS 79 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2r2a s LYS 80 N -2.93 4.19 0.24 1.97 1.02 -0.44 -4.83 119.74 118.97 2r2a s LYS 80 Ca 0.13 2.45 -0.05 0.00 0.02 0.00 0.00 55.97 58.52 2r2a s LYS 80 Cb 0.18 -3.01 0.45 0.00 -0.52 0.00 0.00 37.83 34.93 2r2a s LYS 80 CO 0.65 -0.43 1.68 -1.00 -0.92 0.00 0.00 175.35 175.33 2r2a h PRO 81 N 3.39 0.24 0.00 -1.68 0.13 -1.91 0.63 132.00 132.80 2r2a h PRO 81 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2r2a h PRO 81 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2r2a h PRO 81 CO 0.67 0.16 0.00 -0.85 -0.23 0.00 0.00 178.00 177.74 2r2a n GLU 82 N -5.18 0.09 0.00 0.86 0.28 -1.26 -2.48 120.64 112.96 2r2a n GLU 82 Ca 0.14 0.54 0.06 0.00 -0.16 0.00 0.00 57.16 57.74 2r2a n GLU 82 Cb 0.46 -1.77 -0.05 0.00 1.43 0.00 0.00 31.44 31.51 2r2a n GLU 82 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2r2a n ASN 83 N -1.96 0.88 -4.75 -1.84 3.02 0.22 -4.99 115.26 105.85 2r2a n ASN 83 Ca -0.00 -0.94 -0.37 0.00 -0.03 0.00 0.00 54.58 53.23 2r2a n ASN 83 Cb 0.06 0.84 0.04 0.00 -0.61 0.00 0.00 39.78 40.10 2r2a n ASN 83 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2r2a s ILE 84 N -2.07 2.30 -0.10 2.41 -1.16 -1.03 -2.65 121.20 118.90 2r2a s ILE 84 Ca 0.07 0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.41 2r2a s ILE 84 Cb 0.10 -3.09 0.00 0.00 0.61 0.00 0.00 42.46 40.08 2r2a s ILE 84 CO 0.48 -0.02 0.00 0.61 -2.81 0.00 0.00 174.94 173.20 2r2a n GLY 85 N 0.70 0.48 3.94 1.50 0.00 0.34 -4.99 105.19 107.16 2r2a n GLY 85 Ca 0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2r2a n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r2a s SER 86 N -2.27 3.54 -0.08 1.61 1.04 -1.08 -4.63 113.70 111.83 2r2a s SER 86 Ca 0.00 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.71 2r2a s SER 86 Cb 0.00 -0.43 0.01 0.00 0.10 0.00 0.00 66.02 65.70 2r2a s SER 86 CO 0.00 -2.46 -0.18 -0.63 0.98 0.00 0.00 173.24 170.96 2r2a s ILE 87 N -3.72 1.56 -0.13 -1.02 1.01 0.35 -2.11 121.20 117.14 2r2a s ILE 87 Ca 0.71 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2r2a s ILE 87 Cb -0.05 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 2r2a s ILE 87 CO 0.51 0.45 -0.16 -0.69 0.00 0.00 0.00 174.94 175.04 2r2a s VAL 88 N 0.47 2.69 -0.21 2.92 1.01 0.42 -0.17 120.40 127.52 2r2a s VAL 88 Ca -0.15 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2r2a s VAL 88 Cb -0.16 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.16 2r2a s VAL 88 CO 0.06 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 2r2a s ILE 89 N 0.50 1.30 -0.32 2.22 1.01 0.41 -0.38 121.20 125.93 2r2a s ILE 89 Ca -0.11 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 2r2a s ILE 89 Cb -0.16 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.81 2r2a s ILE 89 CO 0.05 -0.04 0.04 -0.69 0.00 0.00 0.00 174.94 174.30 2r2a s VAL 90 N 1.52 3.09 0.29 2.92 1.01 -0.11 -3.43 120.40 125.69 2r2a s VAL 90 Ca -0.03 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.18 2r2a s VAL 90 Cb -0.18 -2.85 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 2r2a s VAL 90 CO -0.07 -0.22 0.94 -0.62 0.00 0.00 0.00 175.10 175.13 2r2a s ASP 91 N 1.35 7.46 -1.20 3.32 2.15 -1.26 -0.85 116.67 127.63 2r2a s ASP 91 Ca -0.02 1.88 -0.11 0.00 0.43 0.00 0.00 52.55 54.73 2r2a s ASP 91 Cb -0.20 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 39.81 2r2a s ASP 91 CO -0.01 0.02 0.73 -0.62 -0.17 0.00 0.00 175.17 175.12 2r2a n GLU 92 N 0.93 -2.50 0.11 4.34 -0.58 -0.22 -4.85 120.64 117.86 2r2a n GLU 92 Ca 0.00 0.54 0.09 0.00 -0.42 0.00 0.00 57.16 57.37 2r2a n GLU 92 Cb 0.49 -4.63 0.44 0.00 -0.57 0.00 0.00 31.44 27.17 2r2a n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r2a n ALA 93 N -4.12 1.34 0.25 0.62 0.00 0.16 -1.82 120.51 116.94 2r2a n ALA 93 Ca -0.17 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2r2a n ALA 93 Cb 0.63 -1.29 0.57 0.00 0.00 0.00 0.00 19.45 19.36 2r2a n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r2a n GLN 94 N -2.06 0.17 0.24 0.00 0.00 -1.26 -1.05 117.38 113.42 2r2a n GLN 94 Ca 0.01 0.57 0.14 0.00 0.00 0.00 0.00 57.00 57.71 2r2a n GLN 94 Cb 0.12 -1.95 0.43 0.00 0.00 0.00 0.00 30.24 28.84 2r2a n GLN 94 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2r2a h ASP 95 N 0.00 0.00 0.00 2.61 3.32 -1.69 -3.08 116.42 117.58 2r2a h ASP 95 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2r2a h ASP 95 Cb 0.13 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2r2a h ASP 95 CO 0.00 0.05 -1.89 0.52 -1.72 0.00 0.00 179.24 176.19 2r2a n VAL 96 N -3.13 0.89 -3.24 -1.35 0.31 -0.31 -4.76 118.33 106.73 2r2a n VAL 96 Ca 0.02 -0.27 -0.25 0.00 -0.01 0.00 0.00 64.34 63.83 2r2a n VAL 96 Cb 0.43 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.83 2r2a n VAL 96 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2r2a n TRP 97 N -3.43 1.88 -1.58 3.52 8.01 -0.22 -5.01 117.44 120.61 2r2a n TRP 97 Ca -0.30 -3.89 -0.31 0.00 -1.31 0.00 0.00 57.50 51.69 2r2a n TRP 97 Cb 0.75 -0.46 0.05 0.00 -2.01 0.00 0.00 31.31 29.64 2r2a n TRP 97 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 2r2a s PRO 98 N -2.16 2.96 0.22 -0.99 0.04 -1.16 -0.09 135.00 133.82 2r2a s PRO 98 Ca 0.40 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 2r2a s PRO 98 Cb 0.20 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.60 2r2a s PRO 98 CO -0.07 -1.08 1.22 0.00 0.04 0.00 0.00 177.00 177.11 2r2a n ALA 99 N -3.11 -0.04 -2.60 8.56 0.00 -0.38 -2.81 120.51 120.13 2r2a n ALA 99 Ca 0.07 0.43 -0.25 0.00 0.00 0.00 0.00 53.44 53.70 2r2a n ALA 99 Cb 0.54 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 2r2a n ALA 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2r2a s ARG 100 N -0.62 2.14 1.11 0.00 0.52 -1.26 -4.86 118.95 115.98 2r2a s ARG 100 Ca 0.69 -1.36 -0.14 0.00 -0.52 0.00 0.00 55.73 54.40 2r2a s ARG 100 Cb -0.76 -2.14 0.25 0.00 0.52 0.00 0.00 34.95 32.82 2r2a s ARG 100 CO 0.53 0.40 1.06 -1.54 0.02 0.00 0.00 175.30 175.77 2r2a s SER 101 N -3.22 1.61 -0.18 0.23 1.04 -1.26 -4.95 113.70 106.97 2r2a s SER 101 Ca 0.28 1.19 -0.29 0.00 0.48 0.00 0.00 55.95 57.61 2r2a s SER 101 Cb -0.08 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 2r2a s SER 101 CO 0.17 -3.76 1.31 0.00 0.98 0.00 0.00 173.24 171.94 2r2a s ALA 102 N -2.77 3.61 -0.21 5.32 0.00 -1.26 -3.46 121.76 122.99 2r2a s ALA 102 Ca 0.67 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2r2a s ALA 102 Cb -0.20 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2r2a s ALA 102 CO 0.60 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2r2a n GLY 103 N 3.78 0.55 3.81 0.00 0.00 -1.26 -5.02 105.19 107.05 2r2a n GLY 103 Ca 0.14 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2r2a n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r2a s SER 104 N -2.62 6.72 0.34 1.61 1.04 -1.22 -5.00 113.70 114.57 2r2a s SER 104 Ca 0.00 1.80 -0.27 0.00 0.48 0.00 0.00 55.95 57.95 2r2a s SER 104 Cb 0.00 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.44 2r2a s SER 104 CO 0.00 -0.51 1.14 1.17 0.98 0.00 0.00 173.24 176.02 2r2a n LYS 105 N -0.71 1.71 -2.40 4.02 4.81 -1.26 -4.91 118.16 119.42 2r2a n LYS 105 Ca 0.08 0.60 -0.43 0.00 -0.87 0.00 0.00 58.31 57.69 2r2a n LYS 105 Cb 0.53 -2.10 -0.02 0.00 0.02 0.00 0.00 35.03 33.46 2r2a n LYS 105 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2r2a s ILE 106 N -1.11 4.13 0.84 3.15 1.01 -1.26 -5.00 121.20 122.96 2r2a s ILE 106 Ca 0.58 1.30 -0.10 0.00 0.00 0.00 0.00 60.65 62.42 2r2a s ILE 106 Cb -0.62 -4.10 0.10 0.00 0.01 0.00 0.00 42.46 37.86 2r2a s ILE 106 CO 0.60 -0.40 1.12 -2.16 0.00 0.00 0.00 174.94 174.10 2r2a s PRO 107 N 4.09 1.66 0.25 2.79 0.04 -1.26 -4.69 135.00 137.88 2r2a s PRO 107 Ca 0.57 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 2r2a s PRO 107 Cb -0.18 -1.82 0.28 0.00 0.04 0.00 0.00 34.50 32.82 2r2a s PRO 107 CO 0.22 -2.12 1.83 1.49 0.04 0.00 0.00 177.00 178.46 2r2a h GLU 108 N -1.47 1.08 0.00 4.56 4.81 -1.97 -0.03 114.58 121.56 2r2a h GLU 108 Ca -0.43 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2r2a h GLU 108 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2r2a h GLU 108 CO 0.47 0.87 0.00 -1.71 -0.73 0.00 0.00 179.01 177.90 2r2a n ASN 109 N -4.30 0.00 -0.06 1.04 5.15 -1.26 -2.71 115.26 113.12 2r2a n ASN 109 Ca 0.07 -0.48 -0.08 0.00 -0.60 0.00 0.00 54.58 53.49 2r2a n ASN 109 Cb 0.17 -0.08 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 2r2a n ASN 109 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2r2a n VAL 110 N -1.08 0.75 -0.17 3.44 0.31 -0.75 -4.73 118.33 116.10 2r2a n VAL 110 Ca 0.14 -0.34 -0.01 0.00 -0.01 0.00 0.00 64.34 64.12 2r2a n VAL 110 Cb 0.10 -0.89 0.07 0.00 -0.91 0.00 0.00 33.84 32.21 2r2a n VAL 110 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2r2a h GLN 111 N 0.00 0.12 0.00 5.55 4.20 -0.82 -1.77 115.11 122.38 2r2a h GLN 111 Ca -0.29 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 2r2a h GLN 111 Cb 1.52 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 2r2a h GLN 111 CO -0.03 0.08 -0.04 0.11 -0.67 0.00 0.00 178.83 178.29 2r2a h TRP 112 N 0.12 0.00 -0.81 2.96 5.08 -1.85 -3.23 115.95 118.23 2r2a h TRP 112 Ca 0.27 0.00 0.10 0.00 1.08 0.00 0.00 58.89 60.34 2r2a h TRP 112 Cb 0.42 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.52 2r2a h TRP 112 CO -0.32 0.04 0.53 -0.07 -1.28 0.00 0.00 178.44 177.33 2r2a h LEU 113 N 0.00 0.67 -2.93 0.11 3.38 -1.60 -1.69 115.31 113.24 2r2a h LEU 113 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2r2a h LEU 113 Cb 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2r2a h LEU 113 CO 0.00 0.40 -0.00 0.78 0.09 0.00 0.00 178.44 179.72 2r2a h ASN 114 N 0.75 0.00 -0.03 -0.43 2.35 -1.74 -2.67 115.58 113.81 2r2a h ASN 114 Ca 0.37 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 2r2a h ASN 114 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2r2a h ASN 114 CO -0.14 0.00 -0.28 0.35 -1.65 0.00 0.00 177.43 175.70 2r2a n THR 115 N -3.18 2.13 0.26 2.81 -2.24 -0.64 -4.78 114.28 108.64 2r2a n THR 115 Ca -0.03 -2.83 0.14 0.00 -2.27 0.00 0.00 64.05 59.05 2r2a n THR 115 Cb 0.07 -0.25 0.65 0.00 -2.10 0.00 0.00 70.33 68.71 2r2a n THR 115 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 2r2a h HIS 116 N 0.68 0.00 0.00 4.78 2.07 -1.50 -1.31 115.15 119.87 2r2a h HIS 116 Ca 0.02 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2r2a h HIS 116 Cb 1.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.04 2r2a h HIS 116 CO 0.51 0.12 -0.02 0.00 -3.07 0.00 0.00 177.93 175.47 2r2a h ARG 117 N 0.00 0.00 -0.64 5.12 3.08 -1.85 -2.11 114.38 117.98 2r2a h ARG 117 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2r2a h ARG 117 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2r2a h ARG 117 CO 0.02 0.02 0.22 0.45 -1.07 0.00 0.00 179.97 179.61 2r2a h HIS 118 N 0.00 1.01 -0.13 3.04 3.86 -1.62 -2.67 115.15 118.64 2r2a h HIS 118 Ca -0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2r2a h HIS 118 Cb 0.44 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2r2a h HIS 118 CO 0.00 0.82 0.00 1.04 0.86 0.00 0.00 177.93 180.65 2r2a n GLN 119 N -4.38 1.82 -2.78 2.45 3.00 -1.10 -4.95 117.38 111.44 2r2a n GLN 119 Ca 0.04 -1.21 -0.20 0.00 -0.01 0.00 0.00 57.00 55.62 2r2a n GLN 119 Cb 0.20 -1.43 0.02 0.00 0.00 0.00 0.00 30.24 29.02 2r2a n GLN 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2r2a n GLY 120 N 1.19 -0.43 3.66 1.08 0.00 -1.01 0.13 105.19 109.82 2r2a n GLY 120 Ca 0.17 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2r2a n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r2a s ILE 121 N -3.08 4.93 -0.09 -0.61 -1.09 -0.81 -3.96 121.20 116.49 2r2a s ILE 121 Ca 0.19 1.45 -0.07 0.00 -2.23 0.00 0.00 60.65 59.99 2r2a s ILE 121 Cb -0.09 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2r2a s ILE 121 CO 0.24 0.05 0.18 -1.81 -1.23 0.00 0.00 174.94 172.37 2r2a s ASP 122 N 1.19 6.44 -0.04 3.58 1.01 -0.90 -4.28 116.67 123.66 2r2a s ASP 122 Ca 0.34 0.51 0.02 0.00 0.71 0.00 0.00 52.55 54.13 2r2a s ASP 122 Cb -0.16 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.70 2r2a s ASP 122 CO 0.11 0.38 -0.08 -0.63 0.21 0.00 0.00 175.17 175.16 2r2a s ILE 123 N -1.08 0.79 -0.12 0.77 1.01 -0.78 -0.44 121.20 121.35 2r2a s ILE 123 Ca 0.18 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2r2a s ILE 123 Cb -0.13 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2r2a s ILE 123 CO 0.07 0.27 -0.21 -0.36 0.00 0.00 0.00 174.94 174.71 2r2a s PHE 124 N 0.60 2.65 -0.11 3.97 0.08 0.49 -0.78 117.98 124.89 2r2a s PHE 124 Ca -0.10 -1.07 0.04 0.00 0.12 0.00 0.00 56.93 55.92 2r2a s PHE 124 Cb -0.13 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 2r2a s PHE 124 CO 0.01 -0.45 -0.22 0.14 -0.10 0.00 0.00 175.22 174.60 2r2a s VAL 125 N 0.52 1.97 -0.09 -0.44 -7.23 0.16 -0.94 120.40 114.37 2r2a s VAL 125 Ca -0.13 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 2r2a s VAL 125 Cb -0.17 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 2r2a s VAL 125 CO 0.05 0.54 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.51 2r2a s LEU 126 N 0.47 2.94 0.31 1.32 1.02 -0.03 -0.76 118.68 123.95 2r2a s LEU 126 Ca -0.16 -0.16 -0.17 0.00 0.02 0.00 0.00 54.13 53.66 2r2a s LEU 126 Cb -0.17 -1.64 0.02 0.00 0.02 0.00 0.00 46.19 44.42 2r2a s LEU 126 CO 0.06 0.28 0.68 0.28 0.02 0.00 0.00 176.35 177.67 2r2a s THR 127 N -0.34 0.00 0.22 5.49 -1.32 -0.49 -0.67 115.64 118.53 2r2a s THR 127 Ca 0.04 -1.12 0.07 0.00 -1.21 0.00 0.00 61.69 59.47 2r2a s THR 127 Cb -0.13 -2.34 -0.09 0.00 -1.51 0.00 0.00 72.50 68.44 2r2a s THR 127 CO 0.02 0.00 1.50 1.56 -2.21 0.00 0.00 174.62 175.49 2r2a h GLN 128 N 2.05 0.09 -2.05 7.08 4.20 -1.86 -3.04 115.11 121.58 2r2a h GLN 128 Ca -0.25 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 2r2a h GLN 128 Cb 1.25 0.02 -0.20 0.00 0.30 0.00 0.00 27.48 28.85 2r2a h GLN 128 CO 0.31 0.78 0.13 0.20 -0.67 0.00 0.00 178.83 179.59 2r2a s GLY 129 N -4.49 -0.54 0.35 3.46 0.00 -1.26 -3.24 107.32 101.60 2r2a s GLY 129 Ca -0.02 1.68 0.03 0.00 0.00 0.00 0.00 44.72 46.42 2r2a s GLY 129 CO 0.79 1.38 1.96 -2.55 0.00 0.00 0.00 173.10 174.68 2r2a h PRO 130 N 4.20 0.69 0.00 2.90 0.11 -1.87 -2.46 132.00 135.57 2r2a h PRO 130 Ca -0.28 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2r2a h PRO 130 Cb 1.15 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2r2a h PRO 130 CO 0.20 0.54 0.00 1.63 -0.21 0.00 0.00 178.00 180.16 2r2a n LYS 131 N -4.38 0.10 0.08 1.05 5.02 -1.26 -1.14 118.16 117.63 2r2a n LYS 131 Ca 0.04 0.22 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 2r2a n LYS 131 Cb 0.13 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.07 2r2a n LYS 131 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2r2a n LEU 132 N -1.38 0.44 -4.81 -0.35 4.77 -0.93 -4.61 117.00 110.13 2r2a n LEU 132 Ca 0.05 0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 56.35 2r2a n LEU 132 Cb 0.13 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 2r2a n LEU 132 CO 0.11 -0.40 -0.22 -0.76 -1.33 0.00 0.00 177.39 174.79 2r2a s LEU 133 N -3.94 3.87 0.17 2.23 1.43 -0.29 -1.25 118.68 120.90 2r2a s LEU 133 Ca 0.06 -0.05 -0.33 0.00 -1.03 0.00 0.00 54.13 52.78 2r2a s LEU 133 Cb 0.10 -2.50 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 2r2a s LEU 133 CO 0.38 0.11 1.35 -0.67 0.23 0.00 0.00 176.35 177.74 2r2a n ASP 134 N -0.07 2.14 0.11 2.29 -0.08 0.88 -3.72 116.55 118.11 2r2a n ASP 134 Ca -0.08 1.13 0.06 0.00 -1.51 0.00 0.00 54.79 54.38 2r2a n ASP 134 Cb 0.53 -1.31 0.52 0.00 2.34 0.00 0.00 41.12 43.20 2r2a n ASP 134 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2r2a h GLN 135 N 4.32 0.30 -0.10 -0.67 1.08 -1.91 -1.14 115.11 116.98 2r2a h GLN 135 Ca -0.45 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 56.60 2r2a h GLN 135 Cb 1.31 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2r2a h GLN 135 CO 0.77 0.20 -0.54 -0.91 -0.95 0.00 0.00 178.83 177.40 2r2a h ASN 136 N 0.31 0.31 -0.14 1.46 2.35 -1.98 -1.00 115.58 116.90 2r2a h ASN 136 Ca 0.08 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 2r2a h ASN 136 Cb -0.04 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 2r2a h ASN 136 CO -0.02 0.79 -0.14 0.25 -1.65 0.00 0.00 177.43 176.66 2r2a h LEU 137 N 0.22 0.37 -1.00 1.61 5.85 -1.77 -3.28 115.31 117.31 2r2a h LEU 137 Ca 0.00 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.32 2r2a h LEU 137 Cb 1.02 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2r2a h LEU 137 CO 0.09 0.77 0.64 0.03 -0.34 0.00 0.00 178.44 179.63 2r2a h ARG 138 N -0.04 1.08 0.00 1.25 3.08 -1.05 -1.92 114.38 116.78 2r2a h ARG 138 Ca 0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2r2a h ARG 138 Cb 0.67 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2r2a h ARG 138 CO 0.03 0.72 -0.05 1.79 -1.07 0.00 0.00 179.97 181.39 2r2a h THR 139 N 1.12 0.32 0.00 2.04 1.35 -1.24 -2.36 112.91 114.14 2r2a h THR 139 Ca 0.45 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 2r2a h THR 139 Cb 0.26 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2r2a h THR 139 CO -0.20 0.05 -0.40 0.18 -0.25 0.00 0.00 175.52 174.90 2r2a n LEU 140 N -3.43 0.43 -4.72 3.87 4.77 -0.73 -4.93 117.00 112.25 2r2a n LEU 140 Ca -0.02 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2r2a n LEU 140 Cb 0.18 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2r2a n LEU 140 CO 0.27 0.07 1.25 -0.69 -1.33 0.00 0.00 177.39 176.96 2r2a s VAL 141 N -3.03 2.44 -0.41 4.08 1.01 -0.89 -4.43 120.40 119.17 2r2a s VAL 141 Ca 0.11 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.45 2r2a s VAL 141 Cb 0.17 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.43 2r2a s VAL 141 CO 0.67 0.03 0.92 0.54 0.00 0.00 0.00 175.10 177.25 2r2a n ARG 142 N 3.68 1.66 -3.65 2.72 5.12 -0.36 -4.22 116.66 121.62 2r2a n ARG 142 Ca 0.13 -1.34 -0.03 0.00 -1.93 0.00 0.00 57.85 54.68 2r2a n ARG 142 Cb 0.38 -1.09 -0.05 0.00 -1.16 0.00 0.00 32.46 30.53 2r2a n ARG 142 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2r2a s LYS 143 N -0.75 0.59 -0.12 5.56 2.20 -1.23 -4.57 119.74 121.42 2r2a s LYS 143 Ca 0.07 1.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 2r2a s LYS 143 Cb 0.04 0.63 0.02 0.00 -1.51 0.00 0.00 37.83 37.01 2r2a s LYS 143 CO 0.06 -0.19 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.16 2r2a s HIS 144 N 2.52 1.77 -0.13 4.03 2.46 -0.30 -0.64 115.29 125.01 2r2a s HIS 144 Ca -0.07 -0.89 -0.02 0.00 0.47 0.00 0.00 55.06 54.54 2r2a s HIS 144 Cb -0.10 -1.36 -0.03 0.00 -0.13 0.00 0.00 32.58 30.96 2r2a s HIS 144 CO -0.19 -0.53 -0.04 0.71 -2.47 0.00 0.00 174.74 172.22 2r2a s TYR 145 N 1.40 3.01 -0.05 3.88 2.02 0.40 -0.80 117.35 127.21 2r2a s TYR 145 Ca 0.01 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.56 2r2a s TYR 145 Cb -0.13 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2r2a s TYR 145 CO -0.07 0.09 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.23 2r2a s HIS 146 N -0.01 1.94 -0.32 2.71 5.65 0.56 -1.04 115.29 124.77 2r2a s HIS 146 Ca 0.01 -0.58 -0.15 0.00 0.25 0.00 0.00 55.06 54.59 2r2a s HIS 146 Cb -0.13 -1.30 -0.02 0.00 -1.18 0.00 0.00 32.58 29.95 2r2a s HIS 146 CO 0.03 -0.19 0.37 0.42 -0.65 0.00 0.00 174.74 174.71 2r2a s ILE 147 N 0.00 5.17 0.04 0.89 1.01 -0.45 0.19 121.20 128.06 2r2a s ILE 147 Ca -0.04 0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.83 2r2a s ILE 147 Cb -0.12 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2r2a s ILE 147 CO 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 174.94 174.96 2r2a s ALA 148 N 2.04 3.33 0.06 9.38 0.00 0.17 -4.52 121.76 132.23 2r2a s ALA 148 Ca 0.13 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.17 2r2a s ALA 148 Cb -0.16 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2r2a s ALA 148 CO 0.11 0.68 -0.26 0.45 0.00 0.00 0.00 175.76 176.74 2r2a s SER 149 N -1.92 3.21 0.00 0.00 0.15 -1.26 -0.61 113.70 113.27 2r2a s SER 149 Ca 0.23 -0.62 0.21 0.00 0.70 0.00 0.00 55.95 56.47 2r2a s SER 149 Cb -0.12 -0.28 0.80 0.00 -1.71 0.00 0.00 66.02 64.71 2r2a s SER 149 CO 0.15 0.24 1.57 -0.46 1.20 0.00 0.00 173.24 175.94 2r2a n ASN 150 N 1.59 1.52 -3.44 5.45 6.94 -1.26 -5.01 115.26 121.04 2r2a n ASN 150 Ca -0.17 -1.67 -0.14 0.00 -0.02 0.00 0.00 54.58 52.58 2r2a n ASN 150 Cb 0.52 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 2r2a n ASN 150 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2r2a n LYS 151 N 0.22 -1.48 -0.26 -3.83 4.76 -1.26 -5.15 118.16 111.17 2r2a n LYS 151 Ca 0.16 1.13 0.00 0.00 -2.87 0.00 0.00 58.31 56.73 2r2a n LYS 151 Cb 0.31 -3.88 0.00 0.00 -1.84 0.00 0.00 35.03 29.62 2r2a n LYS 151 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2r2a n GLY 153 N -1.63 0.00 3.46 0.72 0.00 -1.26 -5.33 105.19 101.15 2r2a n GLY 153 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2r2a n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r2a s ARG 155 N -0.68 0.58 -0.10 1.61 0.52 -1.26 -4.97 118.95 114.64 2r2a s ARG 155 Ca 0.00 0.97 0.01 0.00 -0.52 0.00 0.00 55.73 56.18 2r2a s ARG 155 Cb 0.00 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 2r2a s ARG 155 CO 0.00 -0.14 -0.11 0.99 0.02 0.00 0.00 175.30 176.06 2r2a s THR 156 N 1.26 3.29 -0.27 0.02 2.01 0.22 -1.60 115.64 120.57 2r2a s THR 156 Ca -0.08 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 2r2a s THR 156 Cb -0.06 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2r2a s THR 156 CO -0.13 0.55 0.44 -0.22 -0.69 0.00 0.00 174.62 174.57 2r2a s LEU 157 N -0.14 4.07 -0.12 4.42 2.96 0.75 -0.66 118.68 129.97 2r2a s LEU 157 Ca -0.00 0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2r2a s LEU 157 Cb -0.13 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 2r2a s LEU 157 CO 0.03 -0.25 0.11 -0.76 -1.32 0.00 0.00 176.35 174.17 2r2a s LEU 158 N 2.18 4.22 -0.05 -0.68 1.43 0.13 -1.65 118.68 124.26 2r2a s LEU 158 Ca 0.18 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 2r2a s LEU 158 Cb -0.16 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2r2a s LEU 158 CO 0.10 0.38 -0.10 -0.70 0.23 0.00 0.00 176.35 176.26 2r2a s GLU 159 N -0.87 1.32 0.25 1.70 2.12 0.11 -0.33 118.70 123.00 2r2a s GLU 159 Ca 0.14 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.17 2r2a s GLU 159 Cb -0.12 -1.16 -0.05 0.00 0.26 0.00 0.00 34.13 33.06 2r2a s GLU 159 CO 0.03 0.06 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.20 2r2a s TRP 160 N 0.49 1.73 -1.61 5.30 0.51 0.02 -0.94 118.94 124.44 2r2a s TRP 160 Ca -0.09 -0.80 0.24 0.00 -2.12 0.00 0.00 56.10 53.32 2r2a s TRP 160 Cb -0.13 -0.99 0.31 0.00 -0.81 0.00 0.00 33.47 31.85 2r2a s TRP 160 CO 0.02 0.12 1.28 1.63 -0.51 0.00 0.00 176.95 179.49 2r2a n LYS 161 N -0.49 0.69 -4.28 4.98 5.02 -1.26 -1.15 118.16 121.68 2r2a n LYS 161 Ca -0.06 -0.50 -0.15 0.00 -2.02 0.00 0.00 58.31 55.58 2r2a n LYS 161 Cb 0.63 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 2r2a n LYS 161 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2r2a s ILE 162 N -2.65 0.56 0.05 -0.18 -4.36 -1.26 -3.91 121.20 109.44 2r2a s ILE 162 Ca 0.18 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.27 2r2a s ILE 162 Cb 0.18 -2.42 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 2r2a s ILE 162 CO 0.62 -0.19 1.92 0.00 0.24 0.00 0.00 174.94 177.53 2r2a s ALA 164 N 4.08 3.26 0.37 0.00 0.00 -1.26 -4.95 121.76 123.26 2r2a s ALA 164 Ca 0.86 -1.27 0.19 0.00 0.00 0.00 0.00 51.96 51.74 2r2a s ALA 164 Cb -0.43 -3.55 1.01 0.00 0.00 0.00 0.00 23.12 20.15 2r2a s ALA 164 CO 0.40 -2.13 1.93 -0.44 0.00 0.00 0.00 175.76 175.51 2r2a h ASP 165 N 9.12 0.00 -3.24 0.00 3.32 -1.99 -3.28 116.42 120.35 2r2a h ASP 165 Ca -0.26 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.18 2r2a h ASP 165 Cb 1.08 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 2r2a h ASP 165 CO 1.01 0.25 -0.71 -0.62 -1.72 0.00 0.00 179.24 177.46 2r2a s ASP 166 N -6.63 3.76 0.15 6.45 -1.08 -1.26 -4.43 116.67 113.63 2r2a s ASP 166 Ca -0.03 -3.23 -0.17 0.00 -0.52 0.00 0.00 52.55 48.60 2r2a s ASP 166 Cb 0.14 -1.23 0.01 0.00 -1.46 0.00 0.00 42.92 40.38 2r2a s ASP 166 CO 0.67 -0.17 1.78 -0.65 0.52 0.00 0.00 175.17 177.32 2r2a h PRO 167 N 5.98 0.36 -0.47 4.34 0.11 -2.01 -2.54 132.00 137.77 2r2a h PRO 167 Ca 0.09 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 2r2a h PRO 167 Cb 0.85 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2r2a h PRO 167 CO 0.58 0.24 -0.01 0.28 -0.21 0.00 0.00 178.00 178.88 2r2a h VAL 168 N 0.38 1.26 0.00 3.15 2.07 -1.95 -1.65 116.25 119.51 2r2a h VAL 168 Ca 0.13 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2r2a h VAL 168 Cb 0.02 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2r2a h VAL 168 CO -0.08 0.38 0.00 1.17 0.02 0.00 0.00 177.57 179.06 2r2a n LYS 169 N -4.34 0.05 0.00 1.57 4.81 -0.96 -4.71 118.16 114.58 2r2a n LYS 169 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2r2a n LYS 169 Cb 0.32 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.10 2r2a n LYS 169 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2r2a n ALA 171 N 0.75 0.00 0.46 3.14 0.00 -0.62 -4.93 120.51 119.31 2r2a n ALA 171 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2r2a n ALA 171 Cb 0.02 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.93 2r2a n ALA 171 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r2a n SER 172 N 0.09 0.61 -1.03 0.00 3.41 -1.26 -1.48 113.62 113.97 2r2a n SER 172 Ca 0.00 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 2r2a n SER 172 Cb 0.00 -0.77 0.18 0.00 -0.26 0.00 0.00 64.21 63.36 2r2a n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2r2a n SER 173 N -2.15 3.14 -4.94 4.04 3.41 -1.26 -4.99 113.62 110.86 2r2a n SER 173 Ca 0.03 -1.97 -0.24 0.00 -0.26 0.00 0.00 58.87 56.43 2r2a n SER 173 Cb 0.26 -0.13 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 2r2a n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r2a s ALA 174 N -1.75 3.57 -0.17 7.33 0.00 -0.55 -4.90 121.76 125.30 2r2a s ALA 174 Ca 0.34 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 2r2a s ALA 174 Cb 0.21 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 2r2a s ALA 174 CO 0.31 -0.71 0.31 -0.06 0.00 0.00 0.00 175.76 175.61 2r2a s PHE 175 N -2.83 3.44 0.02 0.00 0.40 -0.12 -4.85 117.98 114.05 2r2a s PHE 175 Ca 0.53 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 57.46 2r2a s PHE 175 Cb -0.10 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 2r2a s PHE 175 CO 0.41 0.18 0.09 -1.12 0.70 0.00 0.00 175.22 175.49 2r2a s SER 176 N 0.61 5.71 0.06 1.36 0.01 -1.26 -0.71 113.70 119.48 2r2a s SER 176 Ca 0.17 0.12 -0.17 0.00 1.31 0.00 0.00 55.95 57.38 2r2a s SER 176 Cb -0.13 -1.63 0.03 0.00 0.21 0.00 0.00 66.02 64.50 2r2a s SER 176 CO 0.05 0.24 0.39 -0.94 0.41 0.00 0.00 173.24 173.38 2r2a s SER 177 N -1.98 -0.24 0.41 2.44 1.04 -0.66 -5.00 113.70 109.71 2r2a s SER 177 Ca 0.26 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 2r2a s SER 177 Cb -0.12 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.34 2r2a s SER 177 CO 0.17 -0.69 1.26 -0.51 0.98 0.00 0.00 173.24 174.45 2r2a s ILE 178 N -2.77 2.76 0.10 -1.02 1.10 -1.26 -0.18 121.20 119.93 2r2a s ILE 178 Ca -0.03 0.66 -0.31 0.00 -0.51 0.00 0.00 60.65 60.45 2r2a s ILE 178 Cb -0.00 -3.38 -0.08 0.00 0.15 0.00 0.00 42.46 39.15 2r2a s ILE 178 CO -0.05 0.08 1.50 -0.47 -2.11 0.00 0.00 174.94 173.89 2r2a s TYR 179 N -1.32 2.96 0.01 3.50 5.04 -0.63 -4.61 117.35 122.30 2r2a s TYR 179 Ca 0.58 0.70 0.03 0.00 -2.44 0.00 0.00 57.07 55.94 2r2a s TYR 179 Cb -0.36 -3.81 -0.01 0.00 0.35 0.00 0.00 41.96 38.13 2r2a s TYR 179 CO 0.45 -3.01 -0.10 0.99 -1.34 0.00 0.00 175.55 172.54 2r2a s THR 180 N 1.63 0.76 0.08 4.34 2.01 -1.26 -5.00 115.64 118.21 2r2a s THR 180 Ca 0.68 -0.60 0.07 0.00 0.31 0.00 0.00 61.69 62.15 2r2a s THR 180 Cb -0.39 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2r2a s THR 180 CO 0.30 0.08 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.38 2r2a s LEU 181 N -0.58 2.27 0.18 4.42 1.43 -1.26 -4.93 118.68 120.21 2r2a s LEU 181 Ca 0.01 -0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 2r2a s LEU 181 Cb -0.05 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 2r2a s LEU 181 CO 0.00 0.02 1.47 -0.62 0.23 0.00 0.00 176.35 177.45 2r2a s ASP 182 N -1.72 6.68 0.57 2.29 -1.08 -1.26 -4.90 116.67 117.25 2r2a s ASP 182 Ca 0.03 2.55 0.28 0.00 -0.52 0.00 0.00 52.55 54.89 2r2a s ASP 182 Cb -0.10 -2.60 1.55 0.00 -1.46 0.00 0.00 42.92 40.31 2r2a s ASP 182 CO 0.03 -0.73 2.04 0.11 0.52 0.00 0.00 175.17 177.14 2r2a h LYS 183 N 6.19 0.00 -0.57 4.34 1.79 -2.00 -1.82 116.57 124.50 2r2a h LYS 183 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2r2a h LYS 183 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2r2a h LYS 183 CO 0.85 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.85 2r2a n LYS 184 N -3.92 2.64 -0.16 3.15 5.02 -1.26 -4.47 118.16 119.15 2r2a n LYS 184 Ca 0.04 -1.84 -0.02 0.00 -2.02 0.00 0.00 58.31 54.47 2r2a n LYS 184 Cb 0.44 -1.60 0.07 0.00 -0.02 0.00 0.00 35.03 33.92 2r2a n LYS 184 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2r2a h VAL 185 N 2.73 0.75 0.00 -0.18 -1.51 -1.69 -1.74 116.25 114.61 2r2a h VAL 185 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2r2a h VAL 185 Cb 0.94 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2r2a h VAL 185 CO 0.12 0.05 0.00 -1.22 -1.23 0.00 0.00 177.57 175.29 2r2a n TYR 186 N -5.08 0.66 0.14 5.19 4.01 -1.26 -0.65 117.16 120.16 2r2a n TYR 186 Ca 0.06 0.21 0.08 0.00 -0.16 0.00 0.00 57.90 58.09 2r2a n TYR 186 Cb 0.23 -0.85 0.43 0.00 -0.31 0.00 0.00 39.34 38.85 2r2a n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2r2a n ASP 187 N -2.06 0.41 0.00 7.72 8.00 -0.65 -2.36 116.55 127.60 2r2a n ASP 187 Ca 0.05 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.20 2r2a n ASP 187 Cb 0.34 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2r2a n ASP 187 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2r2a n LEU 188 N -2.07 0.91 -3.81 0.64 4.77 0.17 -4.92 117.00 112.71 2r2a n LEU 188 Ca -0.01 -0.94 -0.12 0.00 -0.03 0.00 0.00 56.01 54.91 2r2a n LEU 188 Cb 0.12 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2r2a n LEU 188 CO 0.07 0.23 -0.06 -0.47 -1.33 0.00 0.00 177.39 175.83 2r2a s TYR 189 N -0.04 -0.10 0.00 -1.77 5.04 -1.00 0.36 117.35 119.84 2r2a s TYR 189 Ca 0.00 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2r2a s TYR 189 Cb 0.00 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.35 2r2a s TYR 189 CO 0.00 -0.33 0.25 0.39 -1.34 0.00 0.00 175.55 174.52