#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brr s GLN 3 N 0.00 0.63 -0.27 5.55 -2.07 -0.68 -4.99 119.66 117.83 2brr s GLN 3 Ca 0.00 0.01 -0.06 0.00 -1.82 0.00 0.00 55.36 53.49 2brr s GLN 3 Cb 0.00 0.28 -0.00 0.00 -1.09 0.00 0.00 33.01 32.20 2brr s GLN 3 CO 0.00 -0.16 0.05 -0.51 -1.32 0.00 0.00 175.29 173.35 2brr s LEU 4 N -0.93 3.56 -0.20 2.60 1.43 -1.26 -1.17 118.68 122.71 2brr s LEU 4 Ca -0.10 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2brr s LEU 4 Cb -0.04 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2brr s LEU 4 CO 0.04 -0.12 -0.12 -0.70 0.23 0.00 0.00 176.35 175.68 2brr s GLU 5 N 1.52 3.17 0.27 1.70 2.12 -0.13 -3.96 118.70 123.38 2brr s GLU 5 Ca 0.04 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.66 2brr s GLU 5 Cb -0.16 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 2brr s GLU 5 CO 0.01 -0.21 0.42 -0.65 -0.54 0.00 0.00 175.26 174.29 2brr s GLN 6 N 1.38 3.47 0.97 4.30 -0.21 -1.26 -0.69 119.66 127.62 2brr s GLN 6 Ca 0.05 -0.56 -0.12 0.00 0.02 0.00 0.00 55.36 54.75 2brr s GLN 6 Cb -0.14 -2.81 0.17 0.00 1.00 0.00 0.00 33.01 31.23 2brr s GLN 6 CO -0.08 0.34 1.11 -1.54 -2.12 0.00 0.00 175.29 173.00 2brr s SER 7 N -3.85 2.90 0.97 5.90 1.04 -1.06 -4.99 113.70 114.61 2brr s SER 7 Ca 0.37 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.72 2brr s SER 7 Cb -0.10 -1.72 0.19 0.00 0.10 0.00 0.00 66.02 64.50 2brr s SER 7 CO 0.31 -2.95 1.27 -0.83 0.98 0.00 0.00 173.24 172.03 2brr s GLY 8 N -3.67 1.73 0.62 7.32 0.00 -1.26 -4.60 107.32 107.45 2brr s GLY 8 Ca 0.65 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 44.10 2brr s GLY 8 CO 0.56 -0.33 1.32 2.56 0.00 0.00 0.00 173.10 177.20 2brr s PRO 9 N -5.77 2.68 0.03 2.90 0.04 -1.26 -4.69 135.00 128.93 2brr s PRO 9 Ca 0.72 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.92 2brr s PRO 9 Cb -0.06 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2brr s PRO 9 CO 0.53 -1.51 -0.13 -1.21 0.04 0.00 0.00 177.00 174.71 2brr s GLU 10 N -3.26 0.92 -0.13 4.56 0.41 0.15 -4.99 118.70 116.36 2brr s GLU 10 Ca 0.80 -0.67 0.01 0.00 -0.41 0.00 0.00 54.97 54.70 2brr s GLU 10 Cb -0.39 -0.91 -0.00 0.00 -1.78 0.00 0.00 34.13 31.05 2brr s GLU 10 CO 0.42 0.23 -0.17 -1.17 -0.49 0.00 0.00 175.26 174.07 2brr s LEU 11 N -0.95 2.42 0.03 1.80 0.20 -1.26 -0.36 118.68 120.56 2brr s LEU 11 Ca 0.02 -0.46 -0.02 0.00 0.69 0.00 0.00 54.13 54.36 2brr s LEU 11 Cb -0.07 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.14 2brr s LEU 11 CO 0.01 0.13 0.00 -0.54 -0.29 0.00 0.00 176.35 175.66 2brr s LYS 12 N 0.52 0.43 0.45 1.98 -0.14 0.15 -4.98 119.74 118.16 2brr s LYS 12 Ca -0.11 -0.74 -0.17 0.00 -1.36 0.00 0.00 55.97 53.59 2brr s LYS 12 Cb -0.16 0.16 -0.09 0.00 -1.68 0.00 0.00 37.83 36.06 2brr s LYS 12 CO 0.04 -0.08 0.92 0.15 -0.76 0.00 0.00 175.35 175.62 2brr s LYS 13 N -2.13 4.02 0.31 1.68 1.02 -1.25 -0.97 119.74 122.41 2brr s LYS 13 Ca -0.10 0.91 -0.28 0.00 0.02 0.00 0.00 55.97 56.52 2brr s LYS 13 Cb -0.05 -2.21 -0.13 0.00 -0.52 0.00 0.00 37.83 34.92 2brr s LYS 13 CO -0.03 -0.12 1.20 -2.30 -0.92 0.00 0.00 175.35 173.17 2brr n PRO 14 N -1.13 1.82 0.00 -1.68 -0.02 -1.26 -1.96 135.00 130.76 2brr n PRO 14 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2brr n PRO 14 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2brr n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2brr n GLY 15 N 1.09 2.08 3.81 -1.23 0.00 0.26 -4.88 105.19 106.32 2brr n GLY 15 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2brr n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2brr s GLU 16 N -0.56 -0.12 0.25 1.61 2.02 -0.83 -4.23 118.70 116.83 2brr s GLU 16 Ca 0.00 -0.33 0.11 0.00 0.02 0.00 0.00 54.97 54.78 2brr s GLU 16 Cb 0.00 -1.75 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 2brr s GLU 16 CO 0.00 -2.94 -0.20 0.95 0.02 0.00 0.00 175.26 173.09 2brr s THR 17 N -3.59 2.35 0.02 3.63 -4.23 -1.26 -0.99 115.64 111.57 2brr s THR 17 Ca 0.74 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2brr s THR 17 Cb -0.05 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2brr s THR 17 CO 0.54 -0.34 -0.03 0.54 -0.54 0.00 0.00 174.62 174.79 2brr s VAL 18 N -2.32 0.16 -0.10 2.29 0.11 -0.74 -5.00 120.40 114.79 2brr s VAL 18 Ca 0.26 -0.64 -0.00 0.00 -2.93 0.00 0.00 61.98 58.67 2brr s VAL 18 Cb -0.05 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2brr s VAL 18 CO 0.13 -0.31 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.77 2brr s LYS 19 N -1.00 1.36 -0.12 1.54 2.20 -1.26 -1.34 119.74 121.12 2brr s LYS 19 Ca -0.10 -0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2brr s LYS 19 Cb -0.07 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 34.76 2brr s LYS 19 CO -0.00 -0.26 -0.00 0.42 -0.36 0.00 0.00 175.35 175.14 2brr s ILE 20 N 1.72 4.27 0.17 5.43 1.01 0.34 -4.95 121.20 129.19 2brr s ILE 20 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2brr s ILE 20 Cb -0.13 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2brr s ILE 20 CO -0.07 0.55 0.26 -0.94 0.00 0.00 0.00 174.94 174.74 2brr s SER 21 N -0.31 6.14 -0.21 3.58 1.04 -1.26 -0.97 113.70 121.71 2brr s SER 21 Ca 0.06 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.54 2brr s SER 21 Cb -0.12 -1.79 0.07 0.00 0.10 0.00 0.00 66.02 64.28 2brr s SER 21 CO 0.02 0.04 0.09 0.00 0.98 0.00 0.00 173.24 174.37 2brr s LYS 23 N 2.04 4.16 0.00 0.00 -0.14 0.13 -0.79 119.74 125.14 2brr s LYS 23 Ca 0.04 0.02 -0.05 0.00 -1.36 0.00 0.00 55.97 54.62 2brr s LYS 23 Cb -0.16 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.44 2brr s LYS 23 CO -0.17 0.07 0.24 0.00 -0.76 0.00 0.00 175.35 174.72 2brr s ALA 24 N 1.01 3.89 0.02 5.17 0.00 -0.25 -0.96 121.76 130.63 2brr s ALA 24 Ca 0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2brr s ALA 24 Cb -0.14 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 2brr s ALA 24 CO 0.06 0.69 -0.01 -1.12 0.00 0.00 0.00 175.76 175.37 2brr s SER 25 N -1.80 0.20 0.00 0.00 0.01 -0.32 -4.86 113.70 106.93 2brr s SER 25 Ca 0.28 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2brr s SER 25 Cb -0.13 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2brr s SER 25 CO 0.17 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2brr n GLY 26 N 1.76 0.77 3.72 3.44 0.00 -1.26 -1.69 105.19 111.92 2brr n GLY 26 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 2brr n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2brr s TYR 27 N -2.27 -0.17 -0.44 1.61 1.13 -1.26 -4.49 117.35 111.47 2brr s TYR 27 Ca 0.00 -0.23 -0.29 0.00 -1.41 0.00 0.00 57.07 55.14 2brr s TYR 27 Cb 0.00 0.58 0.02 0.00 -1.10 0.00 0.00 41.96 41.47 2brr s TYR 27 CO 0.00 -1.11 1.16 0.99 -2.51 0.00 0.00 175.55 174.08 2brr s THR 28 N -3.90 4.22 0.26 -3.49 2.01 -1.26 -4.90 115.64 108.59 2brr s THR 28 Ca 0.11 1.29 -0.01 0.00 0.31 0.00 0.00 61.69 63.38 2brr s THR 28 Cb -0.04 -4.52 0.25 0.00 0.01 0.00 0.00 72.50 68.20 2brr s THR 28 CO 0.03 -0.88 1.82 0.15 -0.69 0.00 0.00 174.62 175.05 2brr h PHE 29 N 9.17 1.00 0.00 4.92 3.57 -1.95 -2.42 116.94 131.23 2brr h PHE 29 Ca -0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2brr h PHE 29 Cb 1.07 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2brr h PHE 29 CO 0.95 0.39 0.00 0.25 -2.23 0.00 0.00 178.31 177.67 2brr n THR 30 N -4.69 0.02 0.12 4.41 -2.24 -1.26 -3.19 114.28 107.44 2brr n THR 30 Ca 0.16 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 2brr n THR 30 Cb 0.32 -0.53 0.02 0.00 -2.10 0.00 0.00 70.33 68.04 2brr n THR 30 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2brr h ASN 31 N 0.00 0.00 -3.46 3.42 2.35 -1.78 -3.27 115.58 112.83 2brr h ASN 31 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 2brr h ASN 31 Cb 0.10 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.14 2brr h ASN 31 CO 0.00 0.05 -0.85 -0.31 -1.65 0.00 0.00 177.43 174.67 2brr s TYR 32 N -3.31 1.95 0.68 1.19 1.51 -1.19 -5.04 117.35 113.14 2brr s TYR 32 Ca 0.00 -0.74 -0.17 0.00 -1.01 0.00 0.00 57.07 55.16 2brr s TYR 32 Cb 0.09 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 2brr s TYR 32 CO 0.77 -0.32 1.22 0.20 -1.11 0.00 0.00 175.55 176.32 2brr s GLY 33 N 0.44 2.55 -0.11 0.71 0.00 -1.26 -4.46 107.32 105.19 2brr s GLY 33 Ca -0.15 0.98 0.02 0.00 0.00 0.00 0.00 44.72 45.57 2brr s GLY 33 CO 0.06 1.39 -0.17 -0.29 0.00 0.00 0.00 173.10 174.08 2brr s MET 34 N -3.65 3.12 0.20 2.90 1.75 -0.78 -0.69 119.30 122.15 2brr s MET 34 Ca 0.77 -0.76 0.07 0.00 -1.25 0.00 0.00 55.69 54.52 2brr s MET 34 Cb -0.31 -2.47 -0.04 0.00 2.84 0.00 0.00 34.83 34.84 2brr s MET 34 CO 0.41 0.27 0.03 -0.80 -0.65 0.00 0.00 175.02 174.28 2brr s ASN 35 N 0.18 4.88 -0.05 1.11 0.01 0.12 -0.74 114.94 120.45 2brr s ASN 35 Ca -0.10 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 51.69 2brr s ASN 35 Cb -0.16 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.44 2brr s ASN 35 CO 0.06 0.06 -0.16 0.26 -1.51 0.00 0.00 177.10 175.80 2brr s TRP 36 N -1.88 1.70 -0.04 2.20 0.52 -0.85 -1.07 118.94 119.52 2brr s TRP 36 Ca 0.29 -0.55 0.01 0.00 0.02 0.00 0.00 56.10 55.87 2brr s TRP 36 Cb -0.09 -1.17 0.02 0.00 -1.15 0.00 0.00 33.47 31.08 2brr s TRP 36 CO 0.20 -0.22 -0.04 0.08 0.02 0.00 0.00 176.95 176.99 2brr s VAL 37 N 0.25 0.48 -0.13 4.03 1.01 -0.16 -0.10 120.40 125.79 2brr s VAL 37 Ca -0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2brr s VAL 37 Cb -0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2brr s VAL 37 CO 0.03 0.20 0.10 -0.75 0.00 0.00 0.00 175.10 174.68 2brr s LYS 38 N 0.76 3.48 -0.29 2.72 2.20 0.45 0.08 119.74 129.15 2brr s LYS 38 Ca -0.10 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.27 2brr s LYS 38 Cb -0.13 -3.13 0.09 0.00 -1.51 0.00 0.00 37.83 33.15 2brr s LYS 38 CO -0.00 0.66 0.10 -1.14 -0.36 0.00 0.00 175.35 174.61 2brr s GLN 39 N -0.70 0.56 0.71 4.03 0.74 0.52 -0.70 119.66 124.82 2brr s GLN 39 Ca 0.13 -0.83 -0.15 0.00 0.05 0.00 0.00 55.36 54.56 2brr s GLN 39 Cb -0.12 -1.77 0.03 0.00 1.10 0.00 0.00 33.01 32.25 2brr s GLN 39 CO 0.03 -0.95 1.18 0.00 -0.55 0.00 0.00 175.29 175.00 2brr s ALA 40 N 1.79 2.20 0.05 1.58 0.00 -1.26 -0.65 121.76 125.46 2brr s ALA 40 Ca 0.08 0.80 -0.33 0.00 0.00 0.00 0.00 51.96 52.51 2brr s ALA 40 Cb -0.17 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 2brr s ALA 40 CO -0.26 -1.73 1.77 -2.30 0.00 0.00 0.00 175.76 173.25 2brr n PRO 41 N -2.64 2.34 -1.15 0.00 -0.02 -1.26 -1.03 135.00 131.24 2brr n PRO 41 Ca 0.13 0.85 -0.05 0.00 -2.02 0.00 0.00 63.50 62.40 2brr n PRO 41 Cb 0.51 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 2brr n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2brr n GLY 42 N 4.04 0.71 2.24 -1.23 0.00 -1.26 -5.00 105.19 104.68 2brr n GLY 42 Ca 0.20 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 2brr n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2brr n LYS 43 N -1.70 1.10 -0.18 1.61 4.76 -0.20 -5.16 118.16 118.39 2brr n LYS 43 Ca -0.05 -2.11 0.00 0.00 -2.87 0.00 0.00 58.31 53.27 2brr n LYS 43 Cb 0.32 0.36 0.00 0.00 -1.84 0.00 0.00 35.03 33.87 2brr n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2brr n GLY 44 N 1.17 0.33 3.79 0.72 0.00 -1.26 -4.73 105.19 105.20 2brr n GLY 44 Ca -0.06 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 2brr n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2brr s LEU 45 N 0.00 3.99 -0.08 0.99 1.43 -1.26 -4.30 118.68 119.45 2brr s LEU 45 Ca 0.00 0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2brr s LEU 45 Cb 0.00 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.24 2brr s LEU 45 CO 0.00 0.38 -0.05 -0.75 0.23 0.00 0.00 176.35 176.16 2brr s LYS 46 N -1.09 1.10 -0.04 1.70 2.20 0.12 -4.98 119.74 118.76 2brr s LYS 46 Ca 0.16 -0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 2brr s LYS 46 Cb -0.12 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.94 2brr s LYS 46 CO 0.05 -0.22 1.20 -0.46 -0.36 0.00 0.00 175.35 175.56 2brr s TRP 47 N 1.56 3.22 -0.18 4.03 -0.00 -1.26 -0.41 118.94 125.90 2brr s TRP 47 Ca 0.00 1.22 0.20 0.00 -0.00 0.00 0.00 56.10 57.52 2brr s TRP 47 Cb -0.13 -3.42 -0.07 0.00 -0.00 0.00 0.00 33.47 29.84 2brr s TRP 47 CO -0.05 -1.32 0.92 -1.33 -0.00 0.00 0.00 176.95 175.18 2brr n MET 48 N 5.01 0.61 0.00 5.86 2.81 0.86 -4.75 117.12 127.53 2brr n MET 48 Ca 0.11 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 2brr n MET 48 Cb 0.46 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 2brr n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2brr n GLY 49 N 1.29 0.86 3.42 3.03 0.00 -1.23 -0.67 105.19 111.89 2brr n GLY 49 Ca -0.05 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 2brr n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2brr s TRP 50 N -1.82 0.58 -0.04 1.61 1.48 0.58 -2.00 118.94 119.33 2brr s TRP 50 Ca 0.00 -0.90 0.03 0.00 -1.06 0.00 0.00 56.10 54.16 2brr s TRP 50 Cb 0.00 -0.07 0.01 0.00 -1.16 0.00 0.00 33.47 32.24 2brr s TRP 50 CO 0.00 -0.83 -0.11 -1.50 -4.06 0.00 0.00 176.95 170.45 2brr s ILE 51 N -4.04 0.97 -0.33 0.66 2.07 0.08 0.15 121.20 120.76 2brr s ILE 51 Ca 0.25 -0.44 -0.29 0.00 -1.41 0.00 0.00 60.65 58.76 2brr s ILE 51 Cb 0.02 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.75 2brr s ILE 51 CO 0.07 0.30 1.41 0.21 -1.91 0.00 0.00 174.94 175.02 2brr s ASN 52 N 0.31 6.48 0.33 4.50 3.84 -0.38 -1.87 114.94 128.15 2brr s ASN 52 Ca -0.06 1.15 0.26 0.00 0.21 0.00 0.00 52.86 54.42 2brr s ASN 52 Cb -0.11 -2.54 0.96 0.00 -0.55 0.00 0.00 41.25 39.01 2brr s ASN 52 CO 0.01 -1.26 1.78 0.71 -2.79 0.00 0.00 177.10 175.56 2brr h THR 52 N 6.20 0.00 0.09 -5.21 1.35 -1.84 0.42 112.91 113.92 2brr h THR 52 Ca -0.28 -0.44 -0.24 0.00 -0.55 0.00 0.00 66.41 64.90 2brr h THR 52 Cb 1.11 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2brr h THR 52 CO 1.05 0.00 -1.22 0.22 -0.25 0.00 0.00 175.52 175.32 2brr h TYR 53 N 0.00 0.36 0.00 4.73 3.20 -1.89 -3.41 116.97 119.96 2brr h TYR 53 Ca 0.00 -0.26 -0.05 0.00 3.14 0.00 0.00 58.73 61.56 2brr h TYR 53 Cb 0.56 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2brr h TYR 53 CO 0.00 1.48 -1.60 0.25 -1.64 0.00 0.00 178.16 176.65 2brr n THR 54 N -4.06 0.46 -0.58 1.81 -2.24 -1.19 -4.98 114.28 103.50 2brr n THR 54 Ca -0.24 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2brr n THR 54 Cb 0.83 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2brr n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2brr n GLY 55 N 1.28 1.32 3.66 3.38 0.00 0.15 -5.02 105.19 109.95 2brr n GLY 55 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2brr n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2brr s GLU 56 N -0.20 4.18 0.28 1.61 2.12 -1.22 -4.73 118.70 120.73 2brr s GLU 56 Ca 0.00 1.93 -0.10 0.00 0.36 0.00 0.00 54.97 57.16 2brr s GLU 56 Cb 0.00 -3.90 -0.07 0.00 0.26 0.00 0.00 34.13 30.42 2brr s GLU 56 CO 0.00 -0.82 0.62 -1.25 -0.54 0.00 0.00 175.26 173.27 2brr s PRO 57 N 3.85 3.81 -0.12 4.30 0.05 -1.26 -1.25 135.00 144.37 2brr s PRO 57 Ca 0.65 0.33 -0.00 0.00 0.05 0.00 0.00 61.00 62.03 2brr s PRO 57 Cb -0.28 -2.57 0.02 0.00 0.05 0.00 0.00 34.50 31.73 2brr s PRO 57 CO 0.23 0.22 -0.10 0.99 0.05 0.00 0.00 177.00 178.39 2brr s THR 58 N -1.97 1.21 -0.15 1.26 2.01 0.12 -4.98 115.64 113.13 2brr s THR 58 Ca 0.49 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 2brr s THR 58 Cb -0.11 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2brr s THR 58 CO 0.23 0.40 0.01 -0.31 -0.69 0.00 0.00 174.62 174.27 2brr s TYR 59 N 1.61 3.16 0.58 4.92 2.02 -1.26 -0.30 117.35 128.07 2brr s TYR 59 Ca 0.05 -0.03 -0.20 0.00 -0.37 0.00 0.00 57.07 56.51 2brr s TYR 59 Cb -0.13 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.42 2brr s TYR 59 CO -0.09 0.16 1.30 0.00 -1.57 0.00 0.00 175.55 175.35 2brr s ALA 60 N 0.08 2.66 0.14 3.71 0.00 0.16 -4.89 121.76 123.62 2brr s ALA 60 Ca 0.03 1.22 0.27 0.00 0.00 0.00 0.00 51.96 53.47 2brr s ALA 60 Cb -0.13 -3.53 1.47 0.00 0.00 0.00 0.00 23.12 20.93 2brr s ALA 60 CO 0.02 -1.34 1.81 -0.44 0.00 0.00 0.00 175.76 175.81 2brr h ASP 61 N 1.15 0.00 0.31 0.00 3.32 -1.94 0.15 116.42 119.42 2brr h ASP 61 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2brr h ASP 61 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2brr h ASP 61 CO 0.56 0.00 -0.11 0.47 -1.72 0.00 0.00 179.24 178.43 2brr n ASP 62 N -2.49 0.57 -1.36 6.45 8.00 -1.26 -4.21 116.55 122.24 2brr n ASP 62 Ca -0.02 -0.68 -0.08 0.00 0.71 0.00 0.00 54.79 54.72 2brr n ASP 62 Cb 0.12 -0.04 0.11 0.00 -0.02 0.00 0.00 41.12 41.29 2brr n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2brr n PHE 63 N -0.86 1.31 -4.03 1.24 3.72 0.54 -4.92 117.46 114.47 2brr n PHE 63 Ca 0.15 -1.82 -0.33 0.00 -0.05 0.00 0.00 57.45 55.39 2brr n PHE 63 Cb 0.28 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 2brr n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2brr s LYS 64 N -3.32 2.66 0.00 -1.08 1.02 -1.25 -4.30 119.74 113.48 2brr s LYS 64 Ca 0.44 -1.07 0.04 0.00 0.02 0.00 0.00 55.97 55.39 2brr s LYS 64 Cb 0.39 -2.87 0.07 0.00 -0.52 0.00 0.00 37.83 34.90 2brr s LYS 64 CO -0.02 -0.42 0.87 -0.85 -0.92 0.00 0.00 175.35 174.01 2brr n GLU 65 N 4.58 0.00 0.00 1.68 0.28 -1.26 -4.99 120.64 120.92 2brr n GLU 65 Ca -0.17 -0.84 0.13 0.00 -0.16 0.00 0.00 57.16 56.13 2brr n GLU 65 Cb 0.46 -0.14 0.40 0.00 1.43 0.00 0.00 31.44 33.60 2brr n GLU 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2brr n ARG 66 N 0.08 1.21 -4.56 3.44 1.74 -1.26 -4.90 116.66 112.40 2brr n ARG 66 Ca -0.03 -0.74 -0.34 0.00 -0.77 0.00 0.00 57.85 55.97 2brr n ARG 66 Cb 0.71 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.54 2brr n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2brr s PHE 67 N -2.30 2.96 -0.10 -1.55 0.40 -1.26 -4.27 117.98 111.86 2brr s PHE 67 Ca 0.29 -0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2brr s PHE 67 Cb 0.20 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.97 2brr s PHE 67 CO 0.45 0.18 0.02 0.00 0.70 0.00 0.00 175.22 176.56 2brr s ALA 68 N -0.36 0.70 -0.03 5.36 0.00 -0.00 -4.93 121.76 122.50 2brr s ALA 68 Ca 0.05 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2brr s ALA 68 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2brr s ALA 68 CO 0.02 -0.63 0.50 -0.06 0.00 0.00 0.00 175.76 175.60 2brr s PHE 69 N 1.98 3.65 0.29 0.00 0.08 -1.26 -0.55 117.98 122.16 2brr s PHE 69 Ca 0.04 1.05 0.04 0.00 0.12 0.00 0.00 56.93 58.17 2brr s PHE 69 Cb -0.13 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2brr s PHE 69 CO -0.06 0.39 0.25 -1.54 -0.10 0.00 0.00 175.22 174.16 2brr s SER 70 N -0.23 1.15 0.10 1.36 1.04 -0.71 -4.83 113.70 111.58 2brr s SER 70 Ca 0.27 -1.62 0.06 0.00 0.48 0.00 0.00 55.95 55.14 2brr s SER 70 Cb -0.17 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 2brr s SER 70 CO 0.14 -1.01 -0.14 -0.76 0.98 0.00 0.00 173.24 172.45 2brr s LEU 71 N -3.30 2.36 -0.46 2.42 1.43 -1.26 -0.54 118.68 119.33 2brr s LEU 71 Ca 0.39 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2brr s LEU 71 Cb 0.04 -0.55 0.12 0.00 0.03 0.00 0.00 46.19 45.83 2brr s LEU 71 CO 0.22 -0.12 0.21 -0.70 0.23 0.00 0.00 176.35 176.20 2brr s GLU 72 N -2.35 1.64 0.27 1.70 2.12 -0.04 -4.95 118.70 117.09 2brr s GLU 72 Ca 0.05 -2.25 0.03 0.00 0.36 0.00 0.00 54.97 53.17 2brr s GLU 72 Cb -0.07 -2.97 0.37 0.00 0.26 0.00 0.00 34.13 31.72 2brr s GLU 72 CO 0.03 -1.09 1.67 1.79 -0.54 0.00 0.00 175.26 177.12 2brr h THR 73 N 5.68 1.30 0.00 -1.70 1.35 -1.95 0.23 112.91 117.82 2brr h THR 73 Ca -0.06 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2brr h THR 73 Cb 0.93 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2brr h THR 73 CO 0.60 0.46 0.00 -1.54 -0.25 0.00 0.00 175.52 174.79 2brr n SER 74 N -4.04 0.45 -0.25 5.36 3.41 -1.26 -1.22 113.62 116.06 2brr n SER 74 Ca -0.01 0.71 0.03 0.00 -0.26 0.00 0.00 58.87 59.33 2brr n SER 74 Cb 0.48 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.70 2brr n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2brr n ALA 75 N -1.72 2.30 -4.09 7.33 0.00 -0.01 -5.01 120.51 119.30 2brr n ALA 75 Ca -0.01 -0.79 -0.29 0.00 0.00 0.00 0.00 53.44 52.35 2brr n ALA 75 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 2brr n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2brr n SER 76 N 0.14 -0.75 -4.23 0.00 7.64 -0.36 -4.76 113.62 111.29 2brr n SER 76 Ca 0.04 -1.06 -0.26 0.00 1.01 0.00 0.00 58.87 58.59 2brr n SER 76 Cb 0.22 -2.68 -0.15 0.00 -1.01 0.00 0.00 64.21 60.59 2brr n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2brr s ALA 77 N -3.88 1.73 -0.02 -0.43 0.00 -0.90 -1.09 121.76 117.16 2brr s ALA 77 Ca 0.18 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2brr s ALA 77 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 2brr s ALA 77 CO 0.92 0.41 -0.17 0.00 0.00 0.00 0.00 175.76 176.92 2brr s ALA 78 N -0.60 2.55 0.11 0.00 0.00 0.03 -0.86 121.76 122.98 2brr s ALA 78 Ca 0.08 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 51.07 2brr s ALA 78 Cb -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2brr s ALA 78 CO 0.00 0.56 -0.23 0.71 0.00 0.00 0.00 175.76 176.79 2brr s TYR 79 N -0.75 2.00 -0.16 0.00 1.51 0.30 -0.40 117.35 119.84 2brr s TYR 79 Ca 0.12 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2brr s TYR 79 Cb -0.10 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2brr s TYR 79 CO 0.01 0.25 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.35 2brr s LEU 80 N -1.92 1.99 -0.13 -1.29 2.96 -0.14 -1.74 118.68 118.41 2brr s LEU 80 Ca 0.09 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2brr s LEU 80 Cb -0.10 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 2brr s LEU 80 CO 0.05 -0.01 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.45 2brr s GLN 81 N 1.28 3.44 0.37 1.98 0.74 0.28 -0.50 119.66 127.25 2brr s GLN 81 Ca 0.03 -0.52 0.08 0.00 0.05 0.00 0.00 55.36 55.01 2brr s GLN 81 Cb -0.13 -2.84 -0.06 0.00 1.10 0.00 0.00 33.01 31.08 2brr s GLN 81 CO -0.11 0.36 0.03 0.42 -0.55 0.00 0.00 175.29 175.45 2brr s ILE 82 N 0.03 2.42 0.00 -2.34 1.01 -0.45 -0.82 121.20 121.04 2brr s ILE 82 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 58.71 2brr s ILE 82 Cb -0.13 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2brr s ILE 82 CO 0.03 -0.13 0.00 -3.20 0.00 0.00 0.00 174.94 171.64 2brr n ASN 82 N -1.00 0.00 -4.65 3.58 4.05 -1.11 -1.78 115.26 114.35 2brr n ASN 82 Ca -0.04 0.00 -0.45 0.00 0.45 0.00 0.00 54.58 54.54 2brr n ASN 82 Cb 0.64 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.62 2brr n ASN 82 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2brr n LEU 82 N -0.44 2.76 -4.48 1.20 4.77 -0.16 -4.55 117.00 116.10 2brr n LEU 82 Ca 0.00 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.90 2brr n LEU 82 Cb 0.00 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 39.60 2brr n LEU 82 CO 0.00 -0.75 -0.47 -0.54 -1.33 0.00 0.00 177.39 174.30 2brr s LYS 83 N -0.87 1.72 0.29 3.23 -0.14 -1.26 -0.57 119.74 122.14 2brr s LYS 83 Ca 0.65 -1.74 0.02 0.00 -1.36 0.00 0.00 55.97 53.54 2brr s LYS 83 Cb -0.67 -1.80 0.59 0.00 -1.68 0.00 0.00 37.83 34.27 2brr s LYS 83 CO 0.54 0.33 1.83 -0.91 -0.76 0.00 0.00 175.35 176.39 2brr h ASN 84 N 2.26 0.90 0.00 2.83 -0.26 -1.96 0.14 115.58 119.50 2brr h ASN 84 Ca -0.40 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.39 2brr h ASN 84 Cb 1.26 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 2brr h ASN 84 CO 0.60 0.46 0.15 1.05 -1.06 0.00 0.00 177.43 178.63 2brr h GLU 85 N 0.96 0.00 0.00 0.81 4.11 -1.96 -1.88 114.58 116.62 2brr h GLU 85 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 2brr h GLU 85 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2brr h GLU 85 CO -0.27 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.56 2brr n ASP 86 N -2.71 0.01 -4.60 3.06 8.00 0.50 -4.78 116.55 116.02 2brr n ASP 86 Ca -0.02 0.50 -0.43 0.00 0.71 0.00 0.00 54.79 55.55 2brr n ASP 86 Cb 0.19 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 2brr n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2brr n THR 87 N -1.50 0.42 -3.62 -3.53 -1.04 -0.71 -4.83 114.28 99.48 2brr n THR 87 Ca 0.07 -0.38 0.01 0.00 -2.04 0.00 0.00 64.05 61.71 2brr n THR 87 Cb 0.34 -2.45 -0.00 0.00 -1.82 0.00 0.00 70.33 66.39 2brr n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2brr s ALA 88 N 7.44 -2.23 -0.19 2.41 0.00 -0.73 -4.41 121.76 124.06 2brr s ALA 88 Ca 0.99 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 2brr s ALA 88 Cb -0.39 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2brr s ALA 88 CO 0.38 -1.04 0.25 0.99 0.00 0.00 0.00 175.76 176.33 2brr s THR 89 N -2.43 5.33 -0.17 0.00 2.01 0.17 -0.69 115.64 119.86 2brr s THR 89 Ca 0.14 0.43 -0.05 0.00 0.31 0.00 0.00 61.69 62.52 2brr s THR 89 Cb 0.05 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2brr s THR 89 CO -0.04 0.38 0.00 -0.31 -0.69 0.00 0.00 174.62 173.96 2brr s TYR 90 N 0.61 3.09 -0.06 4.92 1.51 0.92 -0.35 117.35 127.98 2brr s TYR 90 Ca 0.13 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 2brr s TYR 90 Cb -0.13 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2brr s TYR 90 CO 0.03 -0.02 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.28 2brr s PHE 91 N 0.50 2.83 0.16 2.71 0.08 0.11 -0.49 117.98 123.87 2brr s PHE 91 Ca -0.01 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 2brr s PHE 91 Cb -0.14 -1.68 -0.06 0.00 -0.57 0.00 0.00 43.02 40.57 2brr s PHE 91 CO 0.02 0.24 0.46 0.00 -0.10 0.00 0.00 175.22 175.84 2brr s ALA 93 N -1.63 -1.01 0.34 0.00 0.00 -0.24 -0.77 121.76 118.46 2brr s ALA 93 Ca 0.41 1.46 -0.26 0.00 0.00 0.00 0.00 51.96 53.57 2brr s ALA 93 Cb -0.13 -0.97 -0.10 0.00 0.00 0.00 0.00 23.12 21.93 2brr s ALA 93 CO 0.21 -0.35 1.00 0.50 0.00 0.00 0.00 175.76 177.12 2brr s ARG 94 N 1.62 4.46 0.28 0.00 3.52 0.14 0.16 118.95 129.13 2brr s ARG 94 Ca -0.08 1.45 -0.29 0.00 -0.13 0.00 0.00 55.73 56.68 2brr s ARG 94 Cb -0.09 -2.77 -0.13 0.00 -1.56 0.00 0.00 34.95 30.39 2brr s ARG 94 CO -0.12 0.14 1.25 -0.25 -0.81 0.00 0.00 175.30 175.51 2brr n ASP 95 N 0.45 2.31 -4.58 -2.12 8.00 0.14 -1.75 116.55 118.99 2brr n ASP 95 Ca 0.02 1.18 -0.36 0.00 0.71 0.00 0.00 54.79 56.34 2brr n ASP 95 Cb 0.49 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.08 2brr n ASP 95 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2brr s TYR 96 N -0.70 3.21 0.06 1.24 5.04 -0.13 -4.55 117.35 121.53 2brr s TYR 96 Ca 0.61 -0.01 0.08 0.00 -2.44 0.00 0.00 57.07 55.31 2brr s TYR 96 Cb -0.65 -2.24 -0.03 0.00 0.35 0.00 0.00 41.96 39.39 2brr s TYR 96 CO 0.57 -0.08 -0.20 0.71 -1.34 0.00 0.00 175.55 175.21 2brr s TYR 97 N 1.20 2.49 0.96 4.97 2.02 -1.26 -3.90 117.35 123.83 2brr s TYR 97 Ca 0.06 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.30 2brr s TYR 97 Cb -0.14 -1.42 0.20 0.00 -0.40 0.00 0.00 41.96 40.20 2brr s TYR 97 CO 0.05 0.25 1.32 0.20 -1.57 0.00 0.00 175.55 175.80 2brr s GLY 98 N -1.53 1.78 0.56 0.71 0.00 0.54 -4.93 107.32 104.45 2brr s GLY 98 Ca 0.14 -1.20 0.37 0.00 0.00 0.00 0.00 44.72 44.03 2brr s GLY 98 CO 0.05 -0.43 2.10 1.48 0.00 0.00 0.00 173.10 176.30 2brr h SER 99 N -1.64 0.00 0.00 1.64 4.64 -2.01 -3.33 113.55 112.86 2brr h SER 99 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2brr h SER 99 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2brr h SER 99 CO 0.38 0.00 -0.80 0.41 -0.87 0.00 0.00 176.83 175.95 2brr n THR 100 N -2.97 0.00 -3.80 2.95 -1.04 -1.26 -5.10 114.28 103.06 2brr n THR 100 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 2brr n THR 100 Cb 0.19 -0.70 -0.07 0.00 -1.82 0.00 0.00 70.33 67.93 2brr n THR 100 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2brr s TYR 100 N -1.80 0.02 0.00 -1.42 -0.85 -1.25 -5.23 117.35 106.82 2brr s TYR 100 Ca 0.00 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 2brr s TYR 100 Cb 0.00 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.37 2brr s TYR 100 CO 0.00 -0.52 0.00 -0.35 -1.52 0.00 0.00 175.55 173.16 2brr n PRO 100 N 0.28 0.59 -1.38 -3.49 -0.04 -1.26 -0.34 135.00 129.37 2brr n PRO 100 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2brr n PRO 100 Cb 0.61 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.08 2brr n PRO 100 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2brr n TYR 100 N -1.04 -0.28 -4.12 0.54 4.02 -1.25 -4.79 117.16 110.23 2brr n TYR 100 Ca 0.00 -0.26 -0.28 0.00 -0.01 0.00 0.00 57.90 57.34 2brr n TYR 100 Cb 0.00 0.61 -0.02 0.00 -0.02 0.00 0.00 39.34 39.91 2brr n TYR 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2brr s ALA 100 N 0.02 4.38 -0.16 -0.72 0.00 -1.26 -5.01 121.76 119.00 2brr s ALA 100 Ca 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2brr s ALA 100 Cb 0.06 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.69 2brr s ALA 100 CO -0.02 -0.34 -0.02 -1.64 0.00 0.00 0.00 175.76 173.74 2brr s MET 100 N -4.18 1.11 -0.19 0.00 -1.94 -1.26 -0.95 119.30 111.89 2brr s MET 100 Ca 0.26 -0.40 -0.16 0.00 -1.71 0.00 0.00 55.69 53.68 2brr s MET 100 Cb -0.01 -1.86 -0.21 0.00 2.01 0.00 0.00 34.83 34.75 2brr s MET 100 CO 0.16 -0.46 0.22 -0.40 -0.01 0.00 0.00 175.02 174.53 2brr n ASP 101 N 4.96 1.95 -4.57 3.03 5.68 -0.71 -4.87 116.55 122.02 2brr n ASP 101 Ca -0.10 0.35 -0.34 0.00 -0.50 0.00 0.00 54.79 54.19 2brr n ASP 101 Cb 0.48 -0.92 -0.11 0.00 -1.14 0.00 0.00 41.12 39.42 2brr n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 2brr s TYR 102 N -2.43 2.98 -0.01 2.11 2.02 -1.26 -4.97 117.35 115.80 2brr s TYR 102 Ca -0.27 -0.06 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 2brr s TYR 102 Cb 0.07 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2brr s TYR 102 CO 0.64 0.24 -0.23 -1.58 -1.57 0.00 0.00 175.55 173.05 2brr s TRP 103 N -0.48 2.02 1.06 2.71 0.52 -1.26 0.28 118.94 123.79 2brr s TRP 103 Ca 0.07 -0.38 -0.12 0.00 0.02 0.00 0.00 56.10 55.69 2brr s TRP 103 Cb -0.12 -1.29 0.22 0.00 -1.15 0.00 0.00 33.47 31.13 2brr s TRP 103 CO 0.02 -0.02 1.07 0.20 0.02 0.00 0.00 176.95 178.24 2brr s GLY 104 N -0.62 1.56 0.00 0.98 0.00 0.05 -4.51 107.32 104.78 2brr s GLY 104 Ca 0.09 -0.24 0.30 0.00 0.00 0.00 0.00 44.72 44.87 2brr s GLY 104 CO -0.00 0.41 2.04 0.61 0.00 0.00 0.00 173.10 176.16 2brr n GLN 105 N -4.46 0.46 0.00 2.90 0.00 -1.25 -4.79 117.38 110.24 2brr n GLN 105 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.03 2brr n GLN 105 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.30 2brr n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2brr n GLY 106 N 1.28 0.26 3.10 2.61 0.00 -1.26 -5.03 105.19 106.14 2brr n GLY 106 Ca 0.15 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 2brr n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2brr s THR 107 N -2.48 1.78 -0.18 2.61 2.01 0.35 -4.88 115.64 114.85 2brr s THR 107 Ca 0.00 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2brr s THR 107 Cb 0.00 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 2brr s THR 107 CO 0.00 0.50 0.66 -0.89 -0.69 0.00 0.00 174.62 174.19 2brr s THR 108 N 1.07 5.01 -0.18 -0.82 2.01 -1.26 -0.06 115.64 121.41 2brr s THR 108 Ca -0.03 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.22 2brr s THR 108 Cb -0.14 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 2brr s THR 108 CO -0.05 0.12 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.19 2brr s VAL 109 N 1.80 2.89 -0.18 3.82 1.01 0.13 -0.67 120.40 129.19 2brr s VAL 109 Ca 0.31 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2brr s VAL 109 Cb -0.16 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2brr s VAL 109 CO 0.11 0.49 -0.01 -0.89 0.00 0.00 0.00 175.10 174.80 2brr s THR 110 N 1.10 4.02 -0.22 3.92 2.01 0.51 -1.77 115.64 125.21 2brr s THR 110 Ca 0.00 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 2brr s THR 110 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 2brr s THR 110 CO -0.03 0.46 0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 2brr s VAL 111 N 0.66 3.82 -0.21 3.82 1.01 -1.26 -0.68 120.40 127.57 2brr s VAL 111 Ca -0.01 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.36 2brr s VAL 111 Cb -0.14 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.59 2brr s VAL 111 CO 0.02 0.40 0.90 -0.55 0.00 0.00 0.00 175.10 175.87 2brr s SER 112 N 1.39 -0.53 0.18 3.32 0.15 -0.15 -4.72 113.70 113.34 2brr s SER 112 Ca 0.05 0.85 0.24 0.00 0.70 0.00 0.00 55.95 57.79 2brr s SER 112 Cb -0.15 0.81 0.39 0.00 -1.71 0.00 0.00 66.02 65.36 2brr s SER 112 CO 0.00 -0.29 1.40 0.28 1.20 0.00 0.00 173.24 175.83 2brr h SER 113 N 3.77 0.00 -3.20 5.45 0.02 -1.96 -3.34 113.55 114.28 2brr h SER 113 Ca -0.26 -0.13 -0.58 0.00 -0.84 0.00 0.00 61.79 59.99 2brr h SER 113 Cb 1.16 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.83 2brr h SER 113 CO 0.19 0.06 0.31 0.00 -1.14 0.00 0.00 176.83 176.25 2brr n ALA 114 N -1.89 0.64 -2.14 3.77 0.00 -1.26 -4.98 120.51 114.65 2brr n ALA 114 Ca 0.03 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 2brr n ALA 114 Cb 0.46 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 2brr n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2brr s LYS 115 N -2.04 4.05 0.25 0.00 1.02 -1.26 -5.02 119.74 116.74 2brr s LYS 115 Ca 0.61 0.69 -0.30 0.00 0.02 0.00 0.00 55.97 57.00 2brr s LYS 115 Cb -0.55 -2.54 -0.11 0.00 -0.52 0.00 0.00 37.83 34.11 2brr s LYS 115 CO 0.58 0.22 1.53 0.99 -0.92 0.00 0.00 175.35 177.74 2brr s THR 116 N -1.88 2.39 -0.07 2.17 2.01 -1.26 -4.82 115.64 114.19 2brr s THR 116 Ca 0.51 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.85 2brr s THR 116 Cb -0.12 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2brr s THR 116 CO 0.18 0.05 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.19 2brr s THR 117 N 0.17 0.85 0.44 -0.82 2.01 0.69 -4.95 115.64 114.04 2brr s THR 117 Ca 0.63 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 2brr s THR 117 Cb -0.45 -0.84 -0.08 0.00 0.01 0.00 0.00 72.50 71.15 2brr s THR 117 CO 0.43 0.31 1.16 0.00 -0.69 0.00 0.00 174.62 175.82 2brr s ALA 118 N 1.07 3.01 0.62 7.40 0.00 -1.26 -2.07 121.76 130.54 2brr s ALA 118 Ca -0.08 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 2brr s ALA 118 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2brr s ALA 118 CO -0.01 -0.59 1.05 -1.25 0.00 0.00 0.00 175.76 174.96 2brr s PRO 119 N -2.62 3.27 -0.21 0.00 0.04 -1.26 -4.52 135.00 129.69 2brr s PRO 119 Ca 0.62 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.63 2brr s PRO 119 Cb -0.28 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2brr s PRO 119 CO 0.35 -0.84 0.09 -1.12 0.04 0.00 0.00 177.00 175.51 2brr s SER 120 N -3.30 5.63 -0.19 6.66 0.01 -0.19 -4.93 113.70 117.39 2brr s SER 120 Ca 0.60 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.85 2brr s SER 120 Cb -0.14 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 2brr s SER 120 CO 0.44 0.10 -0.05 -0.69 0.41 0.00 0.00 173.24 173.44 2brr s VAL 121 N 0.85 3.44 -0.02 3.43 1.01 -1.26 -0.77 120.40 127.08 2brr s VAL 121 Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2brr s VAL 121 Cb -0.13 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2brr s VAL 121 CO 0.02 0.45 -0.23 -0.31 0.00 0.00 0.00 175.10 175.03 2brr s TYR 122 N 1.06 2.10 0.33 5.22 2.02 0.88 -4.96 117.35 123.99 2brr s TYR 122 Ca 0.01 -0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 2brr s TYR 122 Cb -0.15 -1.35 -0.09 0.00 -0.40 0.00 0.00 41.96 39.97 2brr s TYR 122 CO -0.00 -0.04 0.99 -1.25 -1.57 0.00 0.00 175.55 173.69 2brr s PRO 123 N -0.55 4.52 -0.24 -1.71 0.04 -1.26 -0.28 135.00 135.51 2brr s PRO 123 Ca 0.09 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.62 2brr s PRO 123 Cb -0.09 -2.85 0.05 0.00 0.04 0.00 0.00 34.50 31.66 2brr s PRO 123 CO -0.01 0.19 -0.11 -0.51 0.04 0.00 0.00 177.00 176.60 2brr s LEU 124 N -2.01 3.10 0.08 -3.56 1.43 -0.39 -4.85 118.68 112.47 2brr s LEU 124 Ca 0.50 -1.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 2brr s LEU 124 Cb -0.22 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2brr s LEU 124 CO 0.28 -0.17 -0.14 0.00 0.23 0.00 0.00 176.35 176.55 2brr s ALA 125 N 1.18 1.19 0.51 4.21 0.00 -1.26 -0.66 121.76 126.94 2brr s ALA 125 Ca -0.06 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.63 2brr s ALA 125 Cb -0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 2brr s ALA 125 CO -0.06 0.14 1.32 -1.25 0.00 0.00 0.00 175.76 175.91 2brr s PRO 126 N -1.90 3.35 0.13 0.00 0.04 -1.26 -4.89 135.00 130.47 2brr s PRO 126 Ca -0.01 2.14 -0.34 0.00 0.04 0.00 0.00 61.00 62.84 2brr s PRO 126 Cb -0.09 -2.34 -0.14 0.00 0.04 0.00 0.00 34.50 31.97 2brr s PRO 126 CO 0.02 -0.99 1.57 1.55 0.04 0.00 0.00 177.00 179.19 2brr n VAL 127 N -0.79 0.04 -1.49 -0.36 3.14 -1.26 -1.18 118.33 116.42 2brr n VAL 127 Ca 0.09 -0.01 -0.17 0.00 -2.96 0.00 0.00 64.34 61.29 2brr n VAL 127 Cb 0.45 -1.46 -0.07 0.00 -1.06 0.00 0.00 33.84 31.71 2brr n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2brr n GLY 129 N -0.13 -0.10 3.68 0.00 0.00 -0.33 -4.86 105.19 103.44 2brr n GLY 129 Ca -0.17 -0.04 -0.50 0.00 0.00 0.00 0.00 46.02 45.31 2brr n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2brr n ASP 130 N -1.77 3.10 -4.81 1.61 8.00 -0.18 -4.94 116.55 117.56 2brr n ASP 130 Ca -0.23 1.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.96 2brr n ASP 130 Cb 0.68 -1.32 0.01 0.00 -0.02 0.00 0.00 41.12 40.46 2brr n ASP 130 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2brr s THR 131 N 3.38 4.01 -0.55 -3.53 -4.23 -1.26 -4.82 115.64 108.65 2brr s THR 131 Ca 0.92 0.91 0.06 0.00 -1.18 0.00 0.00 61.69 62.40 2brr s THR 131 Cb -0.78 -3.47 0.35 0.00 1.34 0.00 0.00 72.50 69.94 2brr s THR 131 CO 0.53 -0.60 0.95 0.41 -0.54 0.00 0.00 174.62 175.36 2brr n THR 132 N -2.08 2.74 -1.07 3.99 -1.04 -1.25 -5.08 114.28 110.49 2brr n THR 132 Ca 0.08 -5.42 0.00 0.00 -2.04 0.00 0.00 64.05 56.67 2brr n THR 132 Cb 0.53 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 2brr n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2brr n GLY 133 N -0.23 2.17 0.18 3.41 0.00 -1.26 -3.77 105.19 105.69 2brr n GLY 133 Ca 0.31 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2brr n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2brr h SER 134 N 2.23 0.00 -3.15 1.61 4.64 -1.98 -3.44 113.55 113.46 2brr h SER 134 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 2brr h SER 134 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 2brr h SER 134 CO 0.00 0.26 -0.78 -0.94 -0.87 0.00 0.00 176.83 174.50 2brr s SER 135 N -6.33 3.78 -0.05 4.97 1.04 -1.25 -0.14 113.70 115.72 2brr s SER 135 Ca 0.05 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.78 2brr s SER 135 Cb 0.06 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2brr s SER 135 CO 0.71 0.12 -0.16 0.54 0.98 0.00 0.00 173.24 175.42 2brr s VAL 136 N -1.65 1.41 -0.20 5.02 0.11 -0.19 -3.90 120.40 121.00 2brr s VAL 136 Ca 0.22 -0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 58.50 2brr s VAL 136 Cb -0.08 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 2brr s VAL 136 CO 0.12 0.41 0.10 -0.89 -3.33 0.00 0.00 175.10 171.50 2brr s THR 137 N 0.21 5.05 0.44 5.04 2.01 -1.26 -1.65 115.64 125.49 2brr s THR 137 Ca -0.08 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.05 2brr s THR 137 Cb -0.13 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2brr s THR 137 CO 0.03 0.43 0.10 -0.76 -0.69 0.00 0.00 174.62 173.74 2brr s LEU 138 N 0.50 2.85 0.36 4.42 1.43 1.00 -4.62 118.68 124.62 2brr s LEU 138 Ca 0.05 -1.30 -0.14 0.00 -1.03 0.00 0.00 54.13 51.72 2brr s LEU 138 Cb -0.12 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.04 2brr s LEU 138 CO 0.00 -0.61 0.72 -0.83 0.23 0.00 0.00 176.35 175.86 2brr s GLY 139 N -3.86 0.54 -0.04 -3.19 0.00 0.17 -1.23 107.32 99.71 2brr s GLY 139 Ca 0.32 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 2brr s GLY 139 CO 0.17 -0.43 0.01 0.00 0.00 0.00 0.00 173.10 172.86 2brr s LEU 141 N 1.55 3.86 -0.44 0.00 2.96 0.61 -1.74 118.68 125.47 2brr s LEU 141 Ca -0.02 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2brr s LEU 141 Cb -0.13 -2.03 0.12 0.00 0.50 0.00 0.00 46.19 44.65 2brr s LEU 141 CO -0.03 0.06 0.23 -0.69 -1.32 0.00 0.00 176.35 174.59 2brr s VAL 142 N 1.09 3.17 -0.06 1.68 1.01 0.99 -0.09 120.40 128.20 2brr s VAL 142 Ca 0.06 -2.33 0.03 0.00 0.00 0.00 0.00 61.98 59.73 2brr s VAL 142 Cb -0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2brr s VAL 142 CO 0.04 -0.72 -0.13 -0.75 0.00 0.00 0.00 175.10 173.55 2brr s LYS 143 N 0.81 2.64 -0.34 2.72 2.20 0.05 -0.17 119.74 127.65 2brr s LYS 143 Ca 0.11 -0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 55.05 2brr s LYS 143 Cb -0.22 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2brr s LYS 143 CO -0.04 0.59 0.28 0.41 -0.36 0.00 0.00 175.35 176.23 2brr n GLY 144 N 2.40 0.27 3.40 5.54 0.00 -0.54 -1.03 105.19 115.24 2brr n GLY 144 Ca -0.17 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2brr n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2brr s TYR 145 N -3.10 2.17 -0.19 1.61 1.13 -0.13 -4.44 117.35 114.40 2brr s TYR 145 Ca 0.03 -0.38 -0.18 0.00 -1.41 0.00 0.00 57.07 55.13 2brr s TYR 145 Cb -0.01 -1.06 0.05 0.00 -1.10 0.00 0.00 41.96 39.83 2brr s TYR 145 CO 0.20 0.48 0.51 0.12 -2.51 0.00 0.00 175.55 174.34 2brr s PHE 146 N -1.85 -0.55 0.78 -3.49 5.36 -0.88 0.11 117.98 117.46 2brr s PHE 146 Ca 0.20 1.35 -0.05 0.00 -0.96 0.00 0.00 56.93 57.48 2brr s PHE 146 Cb -0.07 0.19 0.14 0.00 -0.34 0.00 0.00 43.02 42.94 2brr s PHE 146 CO 0.09 -0.27 1.07 -1.25 -1.46 0.00 0.00 175.22 173.41 2brr s PRO 147 N 0.26 1.46 0.66 10.12 0.04 -1.26 -0.22 135.00 146.06 2brr s PRO 147 Ca -0.00 -0.89 -0.17 0.00 0.04 0.00 0.00 61.00 59.98 2brr s PRO 147 Cb -0.04 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2brr s PRO 147 CO 0.01 -1.67 1.21 -2.00 0.04 0.00 0.00 177.00 174.59 2brr s GLU 148 N -5.33 2.55 0.46 4.56 2.56 -1.26 -4.73 118.70 117.51 2brr s GLU 148 Ca 0.68 1.80 0.08 0.00 0.00 0.00 0.00 54.97 57.52 2brr s GLU 148 Cb -0.05 -1.88 0.03 0.00 2.00 0.00 0.00 34.13 34.22 2brr s GLU 148 CO 0.46 -1.53 0.62 -1.25 -0.56 0.00 0.00 175.26 173.01 2brr s PRO 149 N -3.64 2.71 0.25 4.30 0.04 -1.26 -4.96 135.00 132.44 2brr s PRO 149 Ca 0.76 -1.28 0.10 0.00 0.04 0.00 0.00 61.00 60.62 2brr s PRO 149 Cb -0.30 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2brr s PRO 149 CO 0.40 -0.41 -0.07 0.14 0.04 0.00 0.00 177.00 177.10 2brr s VAL 150 N -2.43 3.14 -0.11 -0.36 -7.23 -1.26 -4.62 120.40 107.52 2brr s VAL 150 Ca 0.56 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2brr s VAL 150 Cb -0.09 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2brr s VAL 150 CO 0.34 -0.32 -0.09 0.42 -0.31 0.00 0.00 175.10 175.14 2brr s THR 151 N -2.23 3.45 -0.07 5.32 -4.23 -0.13 -4.96 115.64 112.79 2brr s THR 151 Ca 0.29 -0.54 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2brr s THR 151 Cb -0.07 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.34 2brr s THR 151 CO 0.18 0.54 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.45 2brr s LEU 152 N -0.08 1.67 0.26 4.79 0.20 -1.26 -0.82 118.68 123.45 2brr s LEU 152 Ca -0.00 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.52 2brr s LEU 152 Cb -0.13 -0.87 -0.05 0.00 -0.43 0.00 0.00 46.19 44.70 2brr s LEU 152 CO 0.03 0.04 0.08 0.42 -0.29 0.00 0.00 176.35 176.63 2brr s THR 153 N 0.66 0.70 -0.13 3.68 -4.23 -0.22 -4.96 115.64 111.14 2brr s THR 153 Ca -0.14 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 2brr s THR 153 Cb -0.16 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2brr s THR 153 CO 0.04 -0.04 -0.20 0.26 -0.54 0.00 0.00 174.62 174.13 2brr s TRP 154 N -3.65 2.67 -1.31 3.99 0.52 -1.26 0.08 118.94 119.99 2brr s TRP 154 Ca 0.36 -1.09 -0.14 0.00 0.02 0.00 0.00 56.10 55.26 2brr s TRP 154 Cb 0.08 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.61 2brr s TRP 154 CO 0.13 -0.47 0.52 0.09 0.02 0.00 0.00 176.95 177.25 2brr n ASN 155 N 3.80 -2.39 0.00 2.95 3.02 -0.17 -0.77 115.26 121.71 2brr n ASN 155 Ca -0.19 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 2brr n ASN 155 Cb 0.52 -2.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 2brr n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2brr n SER 156 N -2.71 -4.55 0.00 6.41 7.64 -1.26 -1.12 113.62 118.04 2brr n SER 156 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 2brr n SER 156 Cb 0.63 -2.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 2brr n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2brr n GLY 157 N -0.35 0.73 0.13 0.23 0.00 0.05 -4.94 105.19 101.05 2brr n GLY 157 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2brr n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2brr h SER 158 N 0.00 0.00 -3.43 1.61 4.64 -0.97 -3.38 113.55 112.02 2brr h SER 158 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 2brr h SER 158 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 2brr h SER 158 CO 0.00 0.00 -0.45 -0.22 -0.87 0.00 0.00 176.83 175.29 2brr s LEU 159 N -4.79 5.22 0.00 5.97 0.20 -0.90 -4.89 118.68 119.49 2brr s LEU 159 Ca 0.08 -1.51 0.00 0.00 0.69 0.00 0.00 54.13 53.39 2brr s LEU 159 Cb 0.11 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 2brr s LEU 159 CO 0.55 -0.55 0.00 -1.54 -0.29 0.00 0.00 176.35 174.52 2brr n SER 160 N 4.94 2.50 -4.77 3.68 3.41 -1.26 -4.21 113.62 117.92 2brr n SER 160 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 2brr n SER 160 Cb 0.43 0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.71 2brr n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2brr s SER 161 N -1.63 6.44 -1.24 4.04 0.01 -1.26 -3.70 113.70 116.36 2brr s SER 161 Ca 0.00 2.40 0.00 0.00 1.31 0.00 0.00 55.95 59.66 2brr s SER 161 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2brr s SER 161 CO 0.00 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2brr n GLY 162 N 0.63 -0.16 3.64 3.44 0.00 -1.26 -4.71 105.19 106.78 2brr n GLY 162 Ca 0.04 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2brr n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brr s VAL 163 N -2.71 4.52 -0.26 1.61 1.01 -1.24 -1.71 120.40 121.61 2brr s VAL 163 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2brr s VAL 163 Cb 0.00 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.46 2brr s VAL 163 CO 0.00 0.53 -0.10 -1.00 0.00 0.00 0.00 175.10 174.53 2brr s HIS 164 N -0.14 3.28 -0.28 5.22 3.76 0.05 -4.97 115.29 122.21 2brr s HIS 164 Ca 0.06 -2.32 -0.11 0.00 -0.15 0.00 0.00 55.06 52.54 2brr s HIS 164 Cb -0.12 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.55 2brr s HIS 164 CO 0.02 -0.88 0.20 0.99 -0.85 0.00 0.00 174.74 174.22 2brr s THR 165 N 1.10 5.30 0.07 1.30 2.01 -1.26 0.21 115.64 124.37 2brr s THR 165 Ca -0.08 0.20 -0.21 0.00 0.31 0.00 0.00 61.69 61.91 2brr s THR 165 Cb -0.20 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 2brr s THR 165 CO -0.05 0.25 0.62 -0.36 -0.69 0.00 0.00 174.62 174.39 2brr s PHE 166 N 1.75 3.80 0.23 4.92 0.08 0.51 -4.99 117.98 124.28 2brr s PHE 166 Ca 0.08 1.33 -0.30 0.00 0.12 0.00 0.00 56.93 58.15 2brr s PHE 166 Cb -0.16 -2.58 -0.15 0.00 -0.57 0.00 0.00 43.02 39.57 2brr s PHE 166 CO 0.11 0.52 1.12 -2.30 -0.10 0.00 0.00 175.22 174.57 2brr n PRO 167 N 1.95 1.35 -2.30 0.24 -0.02 -1.26 -4.18 135.00 130.78 2brr n PRO 167 Ca -0.09 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 2brr n PRO 167 Cb 0.50 -1.94 -0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2brr n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2brr s ALA 168 N -0.55 2.73 -0.06 3.55 0.00 -1.26 -4.83 121.76 121.33 2brr s ALA 168 Ca 0.66 0.75 0.05 0.00 0.00 0.00 0.00 51.96 53.42 2brr s ALA 168 Cb -0.76 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.03 2brr s ALA 168 CO 0.55 -0.68 -0.21 0.08 0.00 0.00 0.00 175.76 175.50 2brr s VAL 169 N -1.86 1.75 -0.09 0.00 1.01 -0.65 -4.93 120.40 115.63 2brr s VAL 169 Ca 0.71 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2brr s VAL 169 Cb -0.22 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2brr s VAL 169 CO 0.26 0.49 0.75 -0.22 0.00 0.00 0.00 175.10 176.39 2brr s LEU 170 N 0.06 4.28 -0.09 3.92 0.20 -1.26 -1.75 118.68 124.04 2brr s LEU 170 Ca -0.07 1.21 -0.04 0.00 0.69 0.00 0.00 54.13 55.92 2brr s LEU 170 Cb -0.14 -3.15 0.05 0.00 -0.43 0.00 0.00 46.19 42.52 2brr s LEU 170 CO 0.04 -0.20 0.18 -1.58 -0.29 0.00 0.00 176.35 174.50 2brr s GLN 171 N 1.18 0.07 -1.39 1.98 2.00 0.18 -4.93 119.66 118.75 2brr s GLN 171 Ca 0.39 0.54 -0.02 0.00 -2.00 0.00 0.00 55.36 54.27 2brr s GLN 171 Cb -0.18 -0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.43 2brr s GLN 171 CO 0.17 -0.26 0.43 0.43 -0.50 0.00 0.00 175.29 175.56 2brr n SER 172 N 4.99 -0.60 0.00 6.67 7.64 -1.26 -0.35 113.62 130.71 2brr n SER 172 Ca -0.11 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.75 2brr n SER 172 Cb 0.50 -3.02 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 2brr n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2brr n ASP 173 N -2.96 -1.32 -4.09 6.43 8.00 -1.26 -5.02 116.55 116.34 2brr n ASP 173 Ca -0.30 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.01 2brr n ASP 173 Cb 0.68 -0.92 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 2brr n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2brr s LEU 174 N 0.00 2.12 0.19 0.64 1.43 0.52 -4.74 118.68 118.84 2brr s LEU 174 Ca 0.00 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 2brr s LEU 174 Cb 0.00 -0.51 -0.06 0.00 0.03 0.00 0.00 46.19 45.65 2brr s LEU 174 CO 0.00 0.04 0.44 -0.31 0.23 0.00 0.00 176.35 176.75 2brr s TYR 175 N -0.65 3.46 -0.01 0.29 2.02 0.30 0.48 117.35 123.23 2brr s TYR 175 Ca 0.01 0.61 0.02 0.00 -0.37 0.00 0.00 57.07 57.34 2brr s TYR 175 Cb -0.06 -2.06 -0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2brr s TYR 175 CO 0.00 0.35 -0.07 0.99 -1.57 0.00 0.00 175.55 175.26 2brr s THR 176 N -1.78 0.57 0.06 -0.71 2.01 -0.72 -0.96 115.64 114.11 2brr s THR 176 Ca 0.43 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.18 2brr s THR 176 Cb -0.12 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 2brr s THR 176 CO 0.25 0.17 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.04 2brr s LEU 177 N 0.02 2.31 0.10 4.42 0.20 0.76 -1.64 118.68 124.85 2brr s LEU 177 Ca 0.00 -0.66 0.01 0.00 0.69 0.00 0.00 54.13 54.17 2brr s LEU 177 Cb -0.05 -0.24 -0.04 0.00 -0.43 0.00 0.00 46.19 45.43 2brr s LEU 177 CO -0.00 -0.22 -0.05 -0.94 -0.29 0.00 0.00 176.35 174.85 2brr s SER 178 N -1.92 0.98 0.00 3.68 1.04 -1.26 -0.00 113.70 116.22 2brr s SER 178 Ca -0.04 -1.03 -0.00 0.00 0.48 0.00 0.00 55.95 55.36 2brr s SER 178 Cb -0.07 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2brr s SER 178 CO 0.00 -0.51 -0.00 -0.55 0.98 0.00 0.00 173.24 173.16 2brr s SER 179 N -3.03 0.06 0.02 7.02 0.15 -0.71 -0.36 113.70 116.85 2brr s SER 179 Ca 0.12 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.71 2brr s SER 179 Cb 0.06 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 2brr s SER 179 CO -0.05 -0.09 -0.19 -0.94 1.20 0.00 0.00 173.24 173.17 2brr s SER 180 N -0.43 3.70 -0.02 5.45 1.04 0.13 -1.19 113.70 122.39 2brr s SER 180 Ca -0.05 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.01 2brr s SER 180 Cb -0.03 -0.59 -0.00 0.00 0.10 0.00 0.00 66.02 65.50 2brr s SER 180 CO -0.00 0.28 -0.13 0.54 0.98 0.00 0.00 173.24 174.90 2brr s VAL 181 N -0.85 1.07 -0.11 5.02 0.11 -0.36 -0.77 120.40 124.50 2brr s VAL 181 Ca 0.13 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2brr s VAL 181 Cb -0.10 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2brr s VAL 181 CO 0.04 0.31 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.03 2brr s THR 182 N -0.06 1.86 0.14 5.04 2.01 -0.69 -0.00 115.64 123.93 2brr s THR 182 Ca 0.00 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.15 2brr s THR 182 Cb -0.08 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2brr s THR 182 CO 0.00 0.51 -0.04 0.68 -0.69 0.00 0.00 174.62 175.08 2brr s VAL 183 N 0.70 0.80 0.22 3.82 -7.23 -0.66 -4.71 120.40 113.34 2brr s VAL 183 Ca -0.11 -1.98 -0.32 0.00 -1.81 0.00 0.00 61.98 57.76 2brr s VAL 183 Cb -0.16 -1.92 -0.13 0.00 0.56 0.00 0.00 36.38 34.73 2brr s VAL 183 CO 0.02 -0.66 1.52 0.41 -0.31 0.00 0.00 175.10 176.08 2brr n THR 184 N -0.17 0.58 -0.11 5.32 -1.04 -1.26 -1.02 114.28 116.58 2brr n THR 184 Ca -0.09 -0.14 0.07 0.00 -2.04 0.00 0.00 64.05 61.85 2brr n THR 184 Cb 0.62 -1.62 0.41 0.00 -1.82 0.00 0.00 70.33 67.92 2brr n THR 184 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2brr h SER 185 N 5.07 0.54 0.39 8.00 0.87 -0.81 -1.83 113.55 125.77 2brr h SER 185 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 2brr h SER 185 Cb 1.25 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2brr h SER 185 CO 0.82 0.36 -0.16 0.77 -0.53 0.00 0.00 176.83 178.09 2brr h SER 186 N 0.62 0.00 0.45 6.23 4.64 -1.89 -2.98 113.55 120.62 2brr h SER 186 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2brr h SER 186 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2brr h SER 186 CO -0.08 0.16 -0.10 0.35 -0.87 0.00 0.00 176.83 176.29 2brr n THR 187 N -3.73 0.00 -4.07 2.95 -2.24 -0.69 -4.59 114.28 101.91 2brr n THR 187 Ca -0.02 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 2brr n THR 187 Cb 0.27 -0.18 -0.16 0.00 -2.10 0.00 0.00 70.33 68.16 2brr n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2brr s TRP 188 N -2.56 0.48 -1.81 4.78 -0.00 -1.13 -0.40 118.94 118.30 2brr s TRP 188 Ca 0.27 -0.09 0.13 0.00 -0.00 0.00 0.00 56.10 56.41 2brr s TRP 188 Cb 0.20 -0.44 0.39 0.00 -0.00 0.00 0.00 33.47 33.62 2brr s TRP 188 CO 0.49 -0.11 1.30 -0.35 -0.00 0.00 0.00 176.95 178.28 2brr n PRO 189 N 3.74 2.17 -0.22 5.86 -0.04 -1.26 -4.93 135.00 140.32 2brr n PRO 189 Ca -0.22 -1.59 -0.04 0.00 -0.04 0.00 0.00 63.50 61.61 2brr n PRO 189 Cb 0.53 -1.42 0.07 0.00 -0.04 0.00 0.00 33.50 32.64 2brr n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2brr h SER 190 N 2.49 0.62 -3.51 3.54 0.02 -1.81 -3.37 113.55 111.53 2brr h SER 190 Ca 0.00 0.01 -0.64 0.00 -0.84 0.00 0.00 61.79 60.32 2brr h SER 190 Cb 0.68 -0.13 -0.20 0.00 0.14 0.00 0.00 62.40 62.89 2brr h SER 190 CO 0.04 0.43 -0.61 -1.10 -1.14 0.00 0.00 176.83 174.45 2brr s GLN 191 N -6.12 3.76 0.43 3.45 -0.21 0.46 -5.08 119.66 116.35 2brr s GLN 191 Ca -0.13 -0.44 -0.24 0.00 0.02 0.00 0.00 55.36 54.57 2brr s GLN 191 Cb 0.15 -3.26 -0.08 0.00 1.00 0.00 0.00 33.01 30.82 2brr s GLN 191 CO 0.76 -0.00 1.17 -1.54 -2.12 0.00 0.00 175.29 173.56 2brr s SER 192 N 1.11 6.35 -0.08 5.90 1.04 -1.26 -4.43 113.70 122.32 2brr s SER 192 Ca 0.04 2.34 0.02 0.00 0.48 0.00 0.00 55.95 58.83 2brr s SER 192 Cb -0.14 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.38 2brr s SER 192 CO 0.03 -0.80 -0.15 -0.63 0.98 0.00 0.00 173.24 172.67 2brr s ILE 193 N -1.47 1.40 -0.03 -1.02 -1.09 -1.26 -4.99 121.20 112.74 2brr s ILE 193 Ca 0.60 -0.62 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 2brr s ILE 193 Cb -0.30 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 2brr s ILE 193 CO 0.37 0.42 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.59 2brr s THR 194 N 0.71 0.32 -0.03 2.92 2.01 -1.26 -0.87 115.64 119.44 2brr s THR 194 Ca -0.13 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.69 2brr s THR 194 Cb -0.16 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 2brr s THR 194 CO 0.03 0.17 0.44 0.00 -0.69 0.00 0.00 174.62 174.57 2brr s ASN 196 N -0.60 4.76 -0.12 0.00 -0.87 0.11 -1.49 114.94 116.74 2brr s ASN 196 Ca 0.25 -0.25 0.01 0.00 -1.57 0.00 0.00 52.86 51.30 2brr s ASN 196 Cb -0.16 -1.82 0.02 0.00 -0.02 0.00 0.00 41.25 39.26 2brr s ASN 196 CO 0.13 0.03 -0.13 -0.69 -2.57 0.00 0.00 177.10 173.86 2brr s VAL 197 N 1.22 1.40 -0.08 1.60 1.01 -0.33 -1.06 120.40 124.16 2brr s VAL 197 Ca 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2brr s VAL 197 Cb -0.15 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2brr s VAL 197 CO 0.01 0.43 -0.12 0.00 0.00 0.00 0.00 175.10 175.42 2brr s ALA 198 N 1.25 2.73 -0.47 5.51 0.00 0.00 -1.45 121.76 129.34 2brr s ALA 198 Ca -0.02 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2brr s ALA 198 Cb -0.14 -1.13 0.14 0.00 0.00 0.00 0.00 23.12 21.99 2brr s ALA 198 CO -0.05 0.45 0.27 -1.58 0.00 0.00 0.00 175.76 174.85 2brr s HIS 199 N -0.36 2.12 0.36 0.00 2.46 0.63 -0.95 115.29 119.55 2brr s HIS 199 Ca 0.04 -2.54 0.08 0.00 0.47 0.00 0.00 55.06 53.12 2brr s HIS 199 Cb -0.12 -1.93 0.80 0.00 -0.13 0.00 0.00 32.58 31.20 2brr s HIS 199 CO 0.02 -0.76 1.89 -1.35 -2.47 0.00 0.00 174.74 172.07 2brr h PRO 200 N 6.51 0.68 -0.61 2.88 0.11 -1.82 -2.23 132.00 137.53 2brr h PRO 200 Ca 0.02 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.17 2brr h PRO 200 Cb 0.91 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 2brr h PRO 200 CO 0.51 0.45 0.41 0.00 -0.21 0.00 0.00 178.00 179.15 2brr h ALA 201 N 1.60 1.91 -0.37 -0.75 0.00 -1.93 -1.65 119.26 118.07 2brr h ALA 201 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2brr h ALA 201 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2brr h ALA 201 CO -0.17 -0.03 0.00 -1.13 0.00 0.00 0.00 179.25 177.92 2brr n SER 202 N -4.48 3.05 -3.77 0.00 3.41 -0.89 -4.98 113.62 105.97 2brr n SER 202 Ca 0.09 -1.91 -0.27 0.00 -0.26 0.00 0.00 58.87 56.53 2brr n SER 202 Cb 0.31 -0.24 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 2brr n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2brr n SER 203 N 0.94 -4.60 -4.48 4.04 7.64 -0.62 -4.93 113.62 111.61 2brr n SER 203 Ca 0.15 -0.71 -0.33 0.00 1.01 0.00 0.00 58.87 58.99 2brr n SER 203 Cb 0.47 -4.30 -0.13 0.00 -1.01 0.00 0.00 64.21 59.25 2brr n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2brr s THR 204 N -3.36 3.28 -0.21 0.44 -4.23 -0.92 -5.02 115.64 105.62 2brr s THR 204 Ca 0.52 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 2brr s THR 204 Cb -0.25 -2.33 0.11 0.00 1.34 0.00 0.00 72.50 71.37 2brr s THR 204 CO 0.79 0.57 0.34 -0.75 -0.54 0.00 0.00 174.62 175.03 2brr s LYS 205 N -0.42 0.28 0.10 3.99 2.20 -1.26 -0.27 119.74 124.36 2brr s LYS 205 Ca 0.05 0.58 0.03 0.00 -0.36 0.00 0.00 55.97 56.27 2brr s LYS 205 Cb -0.12 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 2brr s LYS 205 CO 0.02 -0.53 -0.09 0.14 -0.36 0.00 0.00 175.35 174.54 2brr s VAL 206 N 2.49 0.85 -0.03 4.02 -7.23 -0.53 -5.02 120.40 114.96 2brr s VAL 206 Ca 0.08 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2brr s VAL 206 Cb -0.14 -1.48 0.01 0.00 0.56 0.00 0.00 36.38 35.33 2brr s VAL 206 CO -0.13 -0.68 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.11 2brr s ASP 207 N -2.69 0.88 -0.25 4.85 1.01 -1.26 -1.19 116.67 118.03 2brr s ASP 207 Ca 0.08 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.24 2brr s ASP 207 Cb 0.00 -0.35 0.06 0.00 1.01 0.00 0.00 42.92 43.64 2brr s ASP 207 CO -0.02 -0.01 -0.11 -0.54 0.21 0.00 0.00 175.17 174.70 2brr s LYS 208 N 0.60 2.22 0.05 8.23 -0.14 -0.55 -4.97 119.74 125.18 2brr s LYS 208 Ca -0.08 -1.24 -0.31 0.00 -1.36 0.00 0.00 55.97 52.98 2brr s LYS 208 Cb -0.11 -2.81 -0.06 0.00 -1.68 0.00 0.00 37.83 33.17 2brr s LYS 208 CO 0.00 -0.54 1.29 0.21 -0.76 0.00 0.00 175.35 175.55 2brr s LYS 209 N 1.16 4.37 -0.26 1.68 2.20 -1.26 -1.14 119.74 126.49 2brr s LYS 209 Ca -0.07 1.87 -0.21 0.00 -0.36 0.00 0.00 55.97 57.20 2brr s LYS 209 Cb -0.19 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 2brr s LYS 209 CO -0.06 -0.38 0.69 0.42 -0.36 0.00 0.00 175.35 175.65 2brr s ILE 210 N 1.45 4.93 0.12 5.43 -1.09 -0.05 -4.96 121.20 127.03 2brr s ILE 210 Ca 0.61 1.19 0.09 0.00 -2.23 0.00 0.00 60.65 60.31 2brr s ILE 210 Cb -0.31 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2brr s ILE 210 CO 0.28 -0.04 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.13 2brr s GLU 211 N 2.63 1.19 0.36 2.79 0.41 -1.26 -4.63 118.70 120.20 2brr s GLU 211 Ca 0.28 -1.25 -0.26 0.00 -0.41 0.00 0.00 54.97 53.33 2brr s GLU 211 Cb -0.15 -1.41 -0.09 0.00 -1.78 0.00 0.00 34.13 30.69 2brr s GLU 211 CO 0.09 0.32 1.10 -1.25 -0.49 0.00 0.00 175.26 175.02 2brr s PRO 212 N -2.19 4.28 0.07 0.39 0.04 -1.26 -4.79 135.00 131.54 2brr s PRO 212 Ca 0.10 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.87 2brr s PRO 212 Cb -0.09 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2brr s PRO 212 CO 0.05 -0.08 -0.11 1.03 0.04 0.00 0.00 177.00 177.93 2brr s ARG 213 N -2.11 0.73 0.28 4.56 0.52 -1.26 -4.89 118.95 116.77 2brr s ARG 213 Ca 0.53 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 2brr s ARG 213 Cb -0.27 -0.60 0.06 0.00 0.52 0.00 0.00 34.95 34.66 2brr s ARG 213 CO 0.35 0.12 0.38 0.41 0.02 0.00 0.00 175.30 176.58 2brr n GLY 214 N 1.20 -1.07 1.49 -3.53 0.00 -1.26 -0.46 105.19 101.56 2brr n GLY 214 Ca -0.21 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2brr n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93