#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3f n GLU 2 N 0.00 0.00 -0.03 0.03 0.00 -1.26 -0.74 120.64 118.64 2r3f n GLU 2 Ca 0.00 0.45 0.13 0.00 0.00 0.00 0.00 57.16 57.73 2r3f n GLU 2 Cb 0.00 -1.51 0.50 0.00 0.00 0.00 0.00 31.44 30.43 2r3f n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2r3f n ASN 3 N -1.44 1.37 -4.22 -1.84 3.02 -1.26 -4.90 115.26 105.99 2r3f n ASN 3 Ca 0.00 -1.53 -0.25 0.00 -0.03 0.00 0.00 54.58 52.77 2r3f n ASN 3 Cb 0.01 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.00 2r3f n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2r3f s PHE 4 N -1.92 1.71 -0.30 3.10 0.08 0.08 0.44 117.98 121.17 2r3f s PHE 4 Ca 0.36 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 2r3f s PHE 4 Cb 0.19 -1.04 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 2r3f s PHE 4 CO 0.30 0.05 0.05 -1.14 -0.10 0.00 0.00 175.22 174.39 2r3f s GLN 5 N -0.97 2.76 0.08 0.44 2.00 0.83 -4.88 119.66 119.91 2r3f s GLN 5 Ca 0.07 -1.07 -0.31 0.00 -2.00 0.00 0.00 55.36 52.05 2r3f s GLN 5 Cb -0.08 -3.31 -0.08 0.00 0.80 0.00 0.00 33.01 30.34 2r3f s GLN 5 CO 0.01 -0.55 1.50 0.15 -0.50 0.00 0.00 175.29 175.90 2r3f s LYS 6 N 1.39 4.26 -0.21 1.67 1.02 -1.26 -0.69 119.74 125.92 2r3f s LYS 6 Ca -0.01 2.17 -0.17 0.00 0.02 0.00 0.00 55.97 57.97 2r3f s LYS 6 Cb -0.18 -3.42 -0.19 0.00 -0.52 0.00 0.00 37.83 33.52 2r3f s LYS 6 CO 0.01 -0.59 0.11 0.28 -0.92 0.00 0.00 175.35 174.24 2r3f n VAL 7 N 4.37 1.56 -3.56 3.17 0.31 0.10 -4.92 118.33 119.36 2r3f n VAL 7 Ca 0.14 -0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.16 2r3f n VAL 7 Cb 0.41 -1.95 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 2r3f n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2r3f s GLU 8 N -2.42 0.66 -0.12 5.55 -1.05 -1.05 -4.99 118.70 115.28 2r3f s GLU 8 Ca -0.30 0.10 -0.30 0.00 -0.15 0.00 0.00 54.97 54.33 2r3f s GLU 8 Cb 0.08 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 2r3f s GLU 8 CO 0.59 -0.22 1.22 0.21 0.95 0.00 0.00 175.26 178.01 2r3f s LYS 9 N -1.35 4.29 -0.02 -4.83 2.20 -1.26 -0.50 119.74 118.27 2r3f s LYS 9 Ca -0.02 1.64 0.20 0.00 -0.36 0.00 0.00 55.97 57.43 2r3f s LYS 9 Cb -0.00 -3.66 -0.27 0.00 -1.51 0.00 0.00 37.83 32.38 2r3f s LYS 9 CO 0.01 -0.58 0.55 0.44 -0.36 0.00 0.00 175.35 175.42 2r3f n ILE 10 N 5.01 0.00 0.00 5.43 -5.35 -0.09 -4.91 119.36 119.45 2r3f n ILE 10 Ca 0.12 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2r3f n ILE 10 Cb 0.46 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 2r3f n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r3f n GLY 11 N 1.40 -0.18 3.08 3.28 0.00 -1.11 -5.00 105.19 106.66 2r3f n GLY 11 Ca -0.01 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2r3f n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r3f s GLU 12 N -2.00 2.03 1.12 1.61 8.01 -1.26 -1.21 118.70 126.99 2r3f s GLU 12 Ca 0.00 -2.05 -0.19 0.00 0.01 0.00 0.00 54.97 52.74 2r3f s GLU 12 Cb 0.00 -3.53 0.27 0.00 -4.31 0.00 0.00 34.13 26.56 2r3f s GLU 12 CO 0.00 -1.08 1.24 0.41 0.01 0.00 0.00 175.26 175.84 2r3f n GLY 13 N 4.17 -2.12 0.23 -1.39 0.00 0.15 -4.94 105.19 101.29 2r3f n GLY 13 Ca 0.02 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 2r3f n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2r3f h THR 14 N -2.24 0.93 0.00 2.61 2.02 -1.98 -3.24 112.91 110.99 2r3f h THR 14 Ca -0.43 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2r3f h THR 14 Cb 1.24 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2r3f h THR 14 CO 0.29 0.10 -1.47 -1.22 0.37 0.00 0.00 175.52 173.59 2r3f n TYR 15 N -4.87 0.17 -1.03 3.16 4.01 -1.26 -2.50 117.16 114.85 2r3f n TYR 15 Ca 0.07 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2r3f n TYR 15 Cb 0.17 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 2r3f n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r3f n GLY 16 N 1.32 -1.83 3.77 2.72 0.00 -1.17 -0.16 105.19 109.84 2r3f n GLY 16 Ca -0.01 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2r3f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r3f s VAL 17 N -2.29 2.99 -0.11 1.61 0.11 -1.26 -0.67 120.40 120.78 2r3f s VAL 17 Ca 0.00 0.74 0.03 0.00 -2.93 0.00 0.00 61.98 59.82 2r3f s VAL 17 Cb 0.00 -3.37 -0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2r3f s VAL 17 CO 0.00 -0.01 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.86 2r3f s VAL 18 N -1.52 2.34 0.12 2.04 1.01 -0.35 -1.64 120.40 122.39 2r3f s VAL 18 Ca 0.65 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2r3f s VAL 18 Cb -0.30 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2r3f s VAL 18 CO 0.36 0.55 -0.22 -0.31 0.00 0.00 0.00 175.10 175.48 2r3f s TYR 19 N 0.34 1.94 0.00 5.22 1.51 0.12 -0.91 117.35 125.57 2r3f s TYR 19 Ca -0.17 -0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 55.25 2r3f s TYR 19 Cb -0.17 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.58 2r3f s TYR 19 CO 0.08 0.26 0.69 0.21 -1.11 0.00 0.00 175.55 175.68 2r3f s LYS 20 N -2.03 4.42 0.13 -0.62 2.20 0.35 -0.32 119.74 123.87 2r3f s LYS 20 Ca 0.09 0.91 -0.05 0.00 -0.36 0.00 0.00 55.97 56.57 2r3f s LYS 20 Cb -0.10 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 2r3f s LYS 20 CO 0.05 0.26 0.14 0.00 -0.36 0.00 0.00 175.35 175.44 2r3f s ALA 21 N 0.11 0.39 -0.07 3.13 0.00 -0.20 0.03 121.76 125.16 2r3f s ALA 21 Ca 0.36 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2r3f s ALA 21 Cb -0.19 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 2r3f s ALA 21 CO 0.20 -0.53 -0.22 0.50 0.00 0.00 0.00 175.76 175.71 2r3f s ARG 22 N -3.98 2.46 -0.04 0.00 3.52 0.14 -0.72 118.95 120.33 2r3f s ARG 22 Ca 0.17 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 2r3f s ARG 22 Cb 0.06 -1.99 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 2r3f s ARG 22 CO -0.02 0.25 1.55 1.21 -0.81 0.00 0.00 175.30 177.48 2r3f s ASN 23 N 0.14 6.73 0.40 -2.12 3.84 0.13 -0.12 114.94 123.94 2r3f s ASN 23 Ca -0.10 2.18 0.28 0.00 0.21 0.00 0.00 52.86 55.43 2r3f s ASN 23 Cb -0.15 -2.54 1.38 0.00 -0.55 0.00 0.00 41.25 39.39 2r3f s ASN 23 CO 0.05 -0.85 1.85 0.11 -2.79 0.00 0.00 177.10 175.47 2r3f h LYS 24 N 8.82 0.00 0.00 0.43 1.57 -0.35 -0.95 116.57 126.09 2r3f h LYS 24 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2r3f h LYS 24 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2r3f h LYS 24 CO 0.94 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 181.10 2r3f n LEU 25 N -2.51 0.68 0.00 2.94 4.77 -1.26 -4.62 117.00 117.00 2r3f n LEU 25 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 2r3f n LEU 25 Cb 0.13 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.51 2r3f n LEU 25 CO 0.16 0.00 0.63 0.35 -1.33 0.00 0.00 177.39 177.20 2r3f n THR 26 N -0.68 0.65 -0.80 -5.08 -2.24 -1.26 -4.83 114.28 100.05 2r3f n THR 26 Ca 0.00 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2r3f n THR 26 Cb 0.00 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2r3f n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r3f n GLY 27 N -0.31 0.43 3.71 3.38 0.00 -0.36 -4.95 105.19 107.09 2r3f n GLY 27 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2r3f n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2r3f n GLU 28 N -1.76 2.29 -3.58 1.61 2.13 -1.26 -4.49 120.64 115.57 2r3f n GLU 28 Ca 0.00 0.81 -0.36 0.00 0.66 0.00 0.00 57.16 58.26 2r3f n GLU 28 Cb 0.06 -2.46 -0.08 0.00 0.27 0.00 0.00 31.44 29.23 2r3f n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2r3f s VAL 29 N -0.73 5.32 0.24 6.31 1.01 -1.26 0.21 120.40 131.50 2r3f s VAL 29 Ca 0.59 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2r3f s VAL 29 Cb -0.56 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2r3f s VAL 29 CO 0.58 0.36 0.16 0.68 0.00 0.00 0.00 175.10 176.87 2r3f s VAL 30 N 0.82 0.11 -0.17 2.92 -7.23 0.11 -4.28 120.40 112.67 2r3f s VAL 30 Ca 0.12 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 2r3f s VAL 30 Cb -0.13 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2r3f s VAL 30 CO 0.04 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.89 2r3f s ALA 31 N -3.91 3.43 -0.17 1.32 0.00 -0.15 -1.03 121.76 121.26 2r3f s ALA 31 Ca 0.39 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2r3f s ALA 31 Cb 0.06 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 2r3f s ALA 31 CO 0.16 0.24 -0.13 -1.17 0.00 0.00 0.00 175.76 174.87 2r3f s LEU 32 N 0.17 2.59 -0.17 0.00 2.96 0.57 -0.68 118.68 124.12 2r3f s LEU 32 Ca 0.05 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2r3f s LEU 32 Cb -0.12 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 2r3f s LEU 32 CO 0.00 0.07 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.43 2r3f s LYS 33 N 0.92 3.24 0.07 1.98 1.02 0.31 -0.70 119.74 126.57 2r3f s LYS 33 Ca -0.03 -0.73 -0.26 0.00 0.02 0.00 0.00 55.97 54.98 2r3f s LYS 33 Cb -0.15 -2.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.41 2r3f s LYS 33 CO -0.01 -0.03 0.80 0.21 -0.92 0.00 0.00 175.35 175.40 2r3f s LYS 34 N 0.95 4.54 -0.28 1.68 2.20 -0.65 -0.91 119.74 127.26 2r3f s LYS 34 Ca -0.02 1.14 -0.04 0.00 -0.36 0.00 0.00 55.97 56.69 2r3f s LYS 34 Cb -0.15 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2r3f s LYS 34 CO -0.02 0.29 0.01 0.42 -0.36 0.00 0.00 175.35 175.70 2r3f s ILE 35 N -0.13 3.41 0.00 5.43 -1.09 -0.25 -3.04 121.20 125.54 2r3f s ILE 35 Ca 0.40 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2r3f s ILE 35 Cb -0.21 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2r3f s ILE 35 CO 0.24 0.10 0.00 -1.14 -1.23 0.00 0.00 174.94 172.92 2r3f n ARG 36 N 4.76 0.00 -3.66 2.79 0.00 0.77 -4.30 116.66 117.02 2r3f n ARG 36 Ca -0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.62 2r3f n ARG 36 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.85 2r3f n ARG 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2r3f s VAL 44 N 0.00 -0.11 0.29 5.15 1.01 -1.26 -5.55 120.40 119.93 2r3f s VAL 44 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 2r3f s VAL 44 Cb 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 36.38 35.37 2r3f s VAL 44 CO 0.00 0.01 1.44 -2.65 0.00 0.00 0.00 175.10 173.90 2r3f n PRO 45 N 4.43 2.29 -0.17 2.72 -0.02 -1.26 -4.84 135.00 138.16 2r3f n PRO 45 Ca -0.20 0.81 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2r3f n PRO 45 Cb 0.57 -2.49 0.43 0.00 -0.02 0.00 0.00 33.50 31.99 2r3f n PRO 45 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r3f h SER 46 N 3.86 0.52 -0.49 2.55 4.64 -2.02 -1.54 113.55 121.06 2r3f h SER 46 Ca -0.46 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2r3f h SER 46 Cb 1.26 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2r3f h SER 46 CO 0.72 0.30 0.31 0.71 -0.87 0.00 0.00 176.83 178.00 2r3f h THR 47 N 0.57 1.14 -0.16 2.95 1.35 -1.98 -0.71 112.91 116.07 2r3f h THR 47 Ca 0.35 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2r3f h THR 47 Cb 0.58 0.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 2r3f h THR 47 CO -0.12 0.14 0.09 0.00 -0.25 0.00 0.00 175.52 175.38 2r3f h ALA 48 N 1.15 0.20 -0.59 6.62 0.00 -1.52 -1.14 119.26 123.98 2r3f h ALA 48 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2r3f h ALA 48 Cb -0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2r3f h ALA 48 CO -0.04 -0.27 0.24 0.82 0.00 0.00 0.00 179.25 180.01 2r3f h ILE 49 N 0.16 0.81 -0.40 0.00 1.08 -1.16 -0.69 117.51 117.32 2r3f h ILE 49 Ca 0.06 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 2r3f h ILE 49 Cb 0.07 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 2r3f h ILE 49 CO -0.01 0.08 0.06 0.03 -0.69 0.00 0.00 178.15 177.62 2r3f h ARG 50 N 0.43 0.66 -0.24 2.37 3.08 -0.91 -1.20 114.38 118.57 2r3f h ARG 50 Ca 0.29 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2r3f h ARG 50 Cb 0.33 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2r3f h ARG 50 CO -0.27 0.71 0.14 1.49 -1.07 0.00 0.00 179.97 180.97 2r3f h GLU 51 N 0.51 0.33 -0.79 0.04 4.57 -0.70 -2.21 114.58 116.33 2r3f h GLU 51 Ca 0.12 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2r3f h GLU 51 Cb 0.38 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 2r3f h GLU 51 CO 0.01 0.28 0.40 0.82 -1.18 0.00 0.00 179.01 179.34 2r3f h ILE 52 N 0.29 1.24 -0.88 2.32 1.08 -1.15 -2.56 117.51 117.86 2r3f h ILE 52 Ca 0.09 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.98 2r3f h ILE 52 Cb 0.04 0.23 -0.06 0.00 -3.07 0.00 0.00 36.82 33.96 2r3f h ILE 52 CO -0.02 0.28 0.57 0.28 -0.69 0.00 0.00 178.15 178.58 2r3f h SER 53 N 1.10 0.84 -0.30 1.72 0.02 -0.83 -0.88 113.55 115.22 2r3f h SER 53 Ca 0.27 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2r3f h SER 53 Cb 0.09 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2r3f h SER 53 CO -0.04 0.53 0.05 -0.07 -1.14 0.00 0.00 176.83 176.15 2r3f h LEU 54 N 0.95 0.56 -2.34 5.07 3.38 -0.99 -2.51 115.31 119.43 2r3f h LEU 54 Ca 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2r3f h LEU 54 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2r3f h LEU 54 CO -0.15 0.60 0.00 -0.07 0.09 0.00 0.00 178.44 178.91 2r3f h LEU 55 N 0.58 0.00 -2.57 1.67 3.38 -1.01 -2.43 115.31 114.92 2r3f h LEU 55 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2r3f h LEU 55 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2r3f h LEU 55 CO 0.01 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.65 2r3f h LYS 56 N 0.00 0.00 -0.01 1.13 1.57 -1.46 -2.09 116.57 115.71 2r3f h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r3f h LYS 56 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2r3f h LYS 56 CO 0.00 0.00 -0.36 0.39 -0.57 0.00 0.00 179.45 178.91 2r3f n GLU 57 N -3.05 1.50 -2.39 3.15 1.02 -0.91 -4.71 120.64 115.25 2r3f n GLU 57 Ca -0.02 -0.99 -0.43 0.00 -0.02 0.00 0.00 57.16 55.70 2r3f n GLU 57 Cb 0.12 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2r3f n GLU 57 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2r3f n LEU 58 N 0.06 6.26 -4.67 -4.62 7.94 -0.79 -4.95 117.00 116.23 2r3f n LEU 58 Ca 0.08 -4.48 -0.35 0.00 -1.11 0.00 0.00 56.01 50.16 2r3f n LEU 58 Cb 0.41 -1.56 -0.09 0.00 0.53 0.00 0.00 43.42 42.71 2r3f n LEU 58 CO 0.23 1.11 -0.25 0.20 -1.11 0.00 0.00 177.39 177.57 2r3f s ASN 59 N 1.88 5.69 -0.06 1.96 0.01 -1.26 -4.93 114.94 118.23 2r3f s ASN 59 Ca 0.42 0.14 -0.31 0.00 -0.71 0.00 0.00 52.86 52.40 2r3f s ASN 59 Cb 0.07 -1.92 0.07 0.00 0.41 0.00 0.00 41.25 39.88 2r3f s ASN 59 CO -0.01 0.22 0.70 -2.28 -1.51 0.00 0.00 177.10 174.22 2r3f s HIS 60 N 0.07 -0.65 0.60 2.20 5.65 -1.26 -5.05 115.29 116.86 2r3f s HIS 60 Ca 0.06 1.11 0.31 0.00 0.25 0.00 0.00 55.06 56.78 2r3f s HIS 60 Cb -0.12 0.41 1.81 0.00 -1.18 0.00 0.00 32.58 33.50 2r3f s HIS 60 CO 0.01 -0.60 2.18 -1.35 -0.65 0.00 0.00 174.74 174.33 2r3f h PRO 61 N 2.98 0.00 -0.52 2.88 0.11 -1.99 -0.97 132.00 134.49 2r3f h PRO 61 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2r3f h PRO 61 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2r3f h PRO 61 CO 0.39 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.27 2r3f n ASN 62 N -3.69 4.75 -4.11 -2.05 4.13 -1.26 -4.85 115.26 108.18 2r3f n ASN 62 Ca -0.01 -2.68 -0.30 0.00 1.68 0.00 0.00 54.58 53.27 2r3f n ASN 62 Cb 0.21 -0.58 -0.17 0.00 -1.54 0.00 0.00 39.78 37.71 2r3f n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2r3f s ILE 63 N -2.27 1.76 0.16 2.41 -1.09 -0.37 -0.69 121.20 121.11 2r3f s ILE 63 Ca 0.48 -0.80 -0.33 0.00 -2.23 0.00 0.00 60.65 57.77 2r3f s ILE 63 Cb 0.34 -1.58 -0.12 0.00 -1.58 0.00 0.00 42.46 39.52 2r3f s ILE 63 CO 0.18 0.49 1.70 0.52 -1.23 0.00 0.00 174.94 176.61 2r3f n VAL 64 N 4.13 0.11 -2.26 2.92 0.31 -0.42 -4.56 118.33 118.55 2r3f n VAL 64 Ca -0.19 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 2r3f n VAL 64 Cb 0.51 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 2r3f n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2r3f s LYS 65 N 1.57 4.35 -0.51 5.55 2.20 -1.26 -4.87 119.74 126.77 2r3f s LYS 65 Ca 0.79 1.96 -0.24 0.00 -0.36 0.00 0.00 55.97 58.12 2r3f s LYS 65 Cb -0.57 -3.32 0.04 0.00 -1.51 0.00 0.00 37.83 32.46 2r3f s LYS 65 CO 0.36 -0.39 0.89 -1.17 -0.36 0.00 0.00 175.35 174.68 2r3f s LEU 66 N 1.25 4.17 -0.07 5.43 2.96 -1.26 -1.07 118.68 130.09 2r3f s LEU 66 Ca 0.62 -0.27 -0.24 0.00 -0.22 0.00 0.00 54.13 54.03 2r3f s LEU 66 Cb -0.34 -2.89 -0.28 0.00 0.50 0.00 0.00 46.19 43.18 2r3f s LEU 66 CO 0.29 -1.12 0.89 -0.07 -1.32 0.00 0.00 176.35 175.03 2r3f h LEU 67 N 10.67 0.31 -7.71 -0.68 3.38 -0.97 -3.45 115.31 116.86 2r3f h LEU 67 Ca -0.26 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 56.81 2r3f h LEU 67 Cb 1.08 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2r3f h LEU 67 CO 1.05 1.22 0.17 -1.81 0.09 0.00 0.00 178.44 179.15 2r3f s ASP 68 N -6.66 -0.33 -0.09 -0.43 1.01 -1.08 -5.01 116.67 104.09 2r3f s ASP 68 Ca -0.15 -0.46 0.02 0.00 0.71 0.00 0.00 52.55 52.67 2r3f s ASP 68 Cb -0.00 0.66 0.01 0.00 1.01 0.00 0.00 42.92 44.60 2r3f s ASP 68 CO 0.78 -1.19 -0.16 -0.69 0.21 0.00 0.00 175.17 174.12 2r3f s VAL 69 N -3.88 1.44 -0.20 -1.27 1.01 -1.26 -1.35 120.40 114.89 2r3f s VAL 69 Ca 0.09 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2r3f s VAL 69 Cb -0.04 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2r3f s VAL 69 CO 0.00 0.42 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 2r3f s ILE 70 N 0.70 2.48 -0.33 2.22 1.01 -0.02 -5.00 121.20 122.26 2r3f s ILE 70 Ca -0.13 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.68 2r3f s ILE 70 Cb -0.16 -2.11 0.09 0.00 0.01 0.00 0.00 42.46 40.29 2r3f s ILE 70 CO 0.03 0.45 0.04 -2.28 0.00 0.00 0.00 174.94 173.18 2r3f s HIS 71 N 1.33 3.64 -0.03 3.97 2.46 -1.26 -0.58 115.29 124.83 2r3f s HIS 71 Ca 0.04 -2.78 -0.04 0.00 0.47 0.00 0.00 55.06 52.75 2r3f s HIS 71 Cb -0.14 -2.75 0.01 0.00 -0.13 0.00 0.00 32.58 29.56 2r3f s HIS 71 CO -0.09 -0.93 0.10 0.99 -2.47 0.00 0.00 174.74 172.33 2r3f s THR 72 N 0.97 0.03 -1.63 0.89 2.01 -0.55 -4.81 115.64 112.55 2r3f s THR 72 Ca 0.07 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2r3f s THR 72 Cb -0.20 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2r3f s THR 72 CO -0.07 -0.12 0.00 -0.62 -0.69 0.00 0.00 174.62 173.12 2r3f n GLU 73 N 2.58 -1.77 -3.46 4.92 1.02 -1.26 -0.46 120.64 122.21 2r3f n GLU 73 Ca -0.15 0.92 -0.23 0.00 -0.02 0.00 0.00 57.16 57.68 2r3f n GLU 73 Cb 0.58 -5.52 0.07 0.00 -0.02 0.00 0.00 31.44 26.55 2r3f n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2r3f n ASN 74 N -1.80 -6.20 -4.25 1.62 3.02 -1.26 -5.01 115.26 101.38 2r3f n ASN 74 Ca -0.21 -0.48 -0.22 0.00 -0.03 0.00 0.00 54.58 53.64 2r3f n ASN 74 Cb 0.65 -4.86 -0.12 0.00 -0.61 0.00 0.00 39.78 34.84 2r3f n ASN 74 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2r3f s LYS 75 N -6.16 1.03 -0.10 3.52 2.36 0.39 -4.50 119.74 116.29 2r3f s LYS 75 Ca 0.52 -1.11 0.04 0.00 -2.55 0.00 0.00 55.97 52.87 2r3f s LYS 75 Cb -0.23 -1.20 -0.00 0.00 -1.05 0.00 0.00 37.83 35.35 2r3f s LYS 75 CO 0.64 0.27 -0.24 -1.17 1.55 0.00 0.00 175.35 176.41 2r3f s LEU 76 N -1.90 2.08 -0.03 5.43 2.96 -1.26 -1.49 118.68 124.46 2r3f s LEU 76 Ca 0.04 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2r3f s LEU 76 Cb -0.10 -1.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.19 2r3f s LEU 76 CO 0.04 0.16 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.75 2r3f s TYR 77 N 0.32 1.61 -0.09 5.38 1.51 0.26 -1.09 117.35 125.24 2r3f s TYR 77 Ca -0.18 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 2r3f s TYR 77 Cb -0.18 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 2r3f s TYR 77 CO 0.09 -0.13 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.78 2r3f s LEU 78 N -0.05 2.87 -0.20 -1.29 1.43 -0.09 -0.84 118.68 120.51 2r3f s LEU 78 Ca -0.01 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2r3f s LEU 78 Cb -0.10 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2r3f s LEU 78 CO 0.01 0.27 -0.05 -0.69 0.23 0.00 0.00 176.35 176.12 2r3f s VAL 79 N -0.25 3.43 0.23 -1.59 1.01 -0.46 -0.53 120.40 122.25 2r3f s VAL 79 Ca 0.02 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.62 2r3f s VAL 79 Cb -0.13 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2r3f s VAL 79 CO 0.03 0.45 -0.19 -0.36 0.00 0.00 0.00 175.10 175.03 2r3f s PHE 80 N 1.12 2.07 0.42 5.22 0.08 0.14 -0.26 117.98 126.76 2r3f s PHE 80 Ca 0.01 -0.42 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 2r3f s PHE 80 Cb -0.15 -0.94 -0.10 0.00 -0.57 0.00 0.00 43.02 41.27 2r3f s PHE 80 CO -0.01 0.54 1.30 -1.91 -0.10 0.00 0.00 175.22 175.05 2r3f n GLU 81 N -0.33 2.02 -3.67 0.44 2.13 -0.24 -0.98 120.64 120.01 2r3f n GLU 81 Ca -0.08 0.72 -0.37 0.00 0.66 0.00 0.00 57.16 58.09 2r3f n GLU 81 Cb 0.59 -2.43 -0.07 0.00 0.27 0.00 0.00 31.44 29.81 2r3f n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2r3f s PHE 82 N -1.19 3.57 0.04 4.31 5.36 -1.26 -4.41 117.98 124.39 2r3f s PHE 82 Ca 0.60 0.64 0.07 0.00 -0.96 0.00 0.00 56.93 57.28 2r3f s PHE 82 Cb -0.50 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 39.99 2r3f s PHE 82 CO 0.58 0.53 -0.19 -0.51 -1.46 0.00 0.00 175.22 174.17 2r3f s LEU 83 N -0.47 2.15 0.47 6.12 1.02 -1.26 -4.99 118.68 121.72 2r3f s LEU 83 Ca 0.17 -0.48 0.27 0.00 0.02 0.00 0.00 54.13 54.10 2r3f s LEU 83 Cb -0.13 -0.90 0.76 0.00 0.02 0.00 0.00 46.19 45.93 2r3f s LEU 83 CO 0.06 0.15 1.76 0.45 0.02 0.00 0.00 176.35 178.78 2r3f h HIS 84 N 4.99 0.00 -3.59 0.29 3.86 -1.99 -3.47 115.15 115.23 2r3f h HIS 84 Ca -0.41 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.73 2r3f h HIS 84 Cb 1.16 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.50 2r3f h HIS 84 CO 0.49 0.05 -0.20 -1.14 0.86 0.00 0.00 177.93 177.99 2r3f s GLN 85 N -3.40 1.01 0.36 2.45 0.74 -1.21 -5.04 119.66 114.57 2r3f s GLN 85 Ca 0.04 -0.86 0.08 0.00 0.05 0.00 0.00 55.36 54.68 2r3f s GLN 85 Cb 0.07 0.42 -0.05 0.00 1.10 0.00 0.00 33.01 34.54 2r3f s GLN 85 CO 0.62 -0.37 0.08 0.16 -0.55 0.00 0.00 175.29 175.23 2r3f s ASP 86 N -2.85 4.33 0.34 6.67 1.47 -1.26 -0.37 116.67 125.00 2r3f s ASP 86 Ca 0.05 -0.99 0.13 0.00 1.18 0.00 0.00 52.55 52.93 2r3f s ASP 86 Cb 0.03 -0.55 0.59 0.00 -0.34 0.00 0.00 42.92 42.65 2r3f s ASP 86 CO -0.10 -0.34 1.73 0.25 0.68 0.00 0.00 175.17 177.40 2r3f h LEU 87 N 1.66 0.00 0.04 2.11 5.85 -0.46 -1.94 115.31 122.57 2r3f h LEU 87 Ca -0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2r3f h LEU 87 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2r3f h LEU 87 CO 0.68 0.46 -0.02 0.50 -0.34 0.00 0.00 178.44 179.72 2r3f h LYS 88 N 0.00 -0.06 -0.47 1.25 3.11 -1.81 0.14 116.57 118.73 2r3f h LYS 88 Ca -0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2r3f h LYS 88 Cb 0.87 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.09 2r3f h LYS 88 CO 0.06 0.08 -0.08 0.87 -2.81 0.00 0.00 179.45 177.57 2r3f h LYS 89 N -0.18 0.82 -0.64 1.90 1.57 -1.89 -1.06 116.57 117.10 2r3f h LYS 89 Ca -0.01 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 2r3f h LYS 89 Cb 0.16 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2r3f h LYS 89 CO 0.01 0.88 0.13 0.35 -0.57 0.00 0.00 179.45 180.24 2r3f h PHE 90 N 0.75 1.11 -0.40 -1.35 3.57 -1.15 -0.17 116.94 119.30 2r3f h PHE 90 Ca 0.13 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2r3f h PHE 90 Cb 0.56 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2r3f h PHE 90 CO 0.03 0.93 -0.01 0.52 -2.23 0.00 0.00 178.31 177.56 2r3f h MET 91 N 0.97 0.71 -0.68 1.11 2.86 -0.45 -0.64 114.93 118.80 2r3f h MET 91 Ca 0.20 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2r3f h MET 91 Cb 0.41 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2r3f h MET 91 CO 0.01 0.80 0.45 -0.44 1.06 0.00 0.00 176.91 178.79 2r3f h ASP 92 N 0.54 0.79 0.31 1.22 3.32 -0.97 -2.27 116.42 119.36 2r3f h ASP 92 Ca 0.11 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2r3f h ASP 92 Cb 0.49 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2r3f h ASP 92 CO 0.02 0.57 -0.20 0.00 -1.72 0.00 0.00 179.24 177.91 2r3f h ALA 93 N 1.25 1.46 -0.60 3.45 0.00 -0.74 -2.66 119.26 121.42 2r3f h ALA 93 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2r3f h ALA 93 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2r3f h ALA 93 CO -0.05 0.25 0.03 0.43 0.00 0.00 0.00 179.25 179.91 2r3f n SER 94 N -3.99 5.68 -0.03 0.00 7.64 -0.27 -4.56 113.62 118.08 2r3f n SER 94 Ca -0.02 -2.97 0.02 0.00 1.01 0.00 0.00 58.87 56.91 2r3f n SER 94 Cb 0.28 -0.70 0.34 0.00 -1.01 0.00 0.00 64.21 63.13 2r3f n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r3f h ALA 95 N 3.88 1.52 -0.00 -0.43 0.00 -1.07 0.56 119.26 123.72 2r3f h ALA 95 Ca 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2r3f h ALA 95 Cb 2.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2r3f h ALA 95 CO 0.53 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 180.08 2r3f h LEU 96 N 0.61 0.00 0.00 0.00 -0.00 -1.84 -3.36 115.31 110.72 2r3f h LEU 96 Ca 0.15 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2r3f h LEU 96 Cb 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2r3f h LEU 96 CO -0.02 0.25 -1.02 1.07 -0.00 0.00 0.00 178.44 178.73 2r3f n THR 97 N -4.97 0.00 0.00 0.22 5.66 -1.22 -5.12 114.28 108.85 2r3f n THR 97 Ca -0.08 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 2r3f n THR 97 Cb 0.14 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 2r3f n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2r3f n GLY 98 N 1.55 -2.63 3.72 1.09 0.00 0.20 -4.87 105.19 104.23 2r3f n GLY 98 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2r3f n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3f s ILE 99 N -3.54 3.32 0.44 -0.61 1.01 -1.26 -4.96 121.20 115.60 2r3f s ILE 99 Ca 0.00 0.96 -0.25 0.00 0.00 0.00 0.00 60.65 61.37 2r3f s ILE 99 Cb 0.00 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 2r3f s ILE 99 CO 0.00 0.08 1.28 -2.65 0.00 0.00 0.00 174.94 173.65 2r3f n PRO 100 N 3.80 1.90 -0.36 2.79 -0.02 -1.26 -4.73 135.00 137.12 2r3f n PRO 100 Ca 0.11 0.68 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 2r3f n PRO 100 Cb 0.42 -2.41 0.25 0.00 -0.02 0.00 0.00 33.50 31.75 2r3f n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2r3f h LEU 101 N 2.00 0.91 -1.34 2.45 5.85 -1.98 -1.04 115.31 122.17 2r3f h LEU 101 Ca -0.48 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2r3f h LEU 101 Cb 1.30 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2r3f h LEU 101 CO 0.59 0.47 0.25 -0.65 -0.34 0.00 0.00 178.44 178.76 2r3f h PRO 102 N 0.97 0.70 -0.05 5.25 0.11 -1.99 0.11 132.00 137.10 2r3f h PRO 102 Ca 0.51 -0.08 -0.25 0.00 0.11 0.00 0.00 66.00 66.29 2r3f h PRO 102 Cb 0.54 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.53 2r3f h PRO 102 CO -0.28 0.54 -0.94 1.25 -0.21 0.00 0.00 178.00 178.36 2r3f h LEU 103 N 0.71 0.91 -0.46 2.35 5.85 -1.64 -1.19 115.31 121.83 2r3f h LEU 103 Ca 0.18 -0.70 0.03 0.00 0.84 0.00 0.00 57.88 58.22 2r3f h LEU 103 Cb 0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2r3f h LEU 103 CO -0.03 1.49 0.26 0.40 -0.34 0.00 0.00 178.44 180.22 2r3f h ILE 104 N 0.42 1.02 -0.28 4.05 2.04 -0.65 -0.10 117.51 124.00 2r3f h ILE 104 Ca -0.10 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2r3f h ILE 104 Cb 1.59 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2r3f h ILE 104 CO 0.19 0.10 0.18 0.50 0.00 0.00 0.00 178.15 179.12 2r3f h LYS 105 N 0.52 0.37 -0.38 2.37 3.64 -0.82 0.57 116.57 122.83 2r3f h LYS 105 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2r3f h LYS 105 Cb 0.04 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2r3f h LYS 105 CO -0.10 0.24 0.25 1.03 -2.27 0.00 0.00 179.45 178.60 2r3f h SER 106 N 0.38 0.44 -0.51 4.20 0.87 -0.89 -0.22 113.55 117.82 2r3f h SER 106 Ca 0.11 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2r3f h SER 106 Cb -0.04 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2r3f h SER 106 CO -0.03 0.33 0.27 1.88 -0.53 0.00 0.00 176.83 178.74 2r3f h TYR 107 N 0.51 0.71 -0.62 2.24 0.05 -0.78 -0.71 116.97 118.38 2r3f h TYR 107 Ca 0.14 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2r3f h TYR 107 Cb -0.05 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 2r3f h TYR 107 CO -0.05 0.54 0.29 1.25 -1.05 0.00 0.00 178.16 179.14 2r3f h LEU 108 N 0.68 0.82 -0.39 3.88 5.85 -0.66 0.61 115.31 126.10 2r3f h LEU 108 Ca 0.18 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2r3f h LEU 108 Cb 0.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2r3f h LEU 108 CO -0.03 0.73 0.24 0.15 -0.34 0.00 0.00 178.44 179.19 2r3f h PHE 109 N 0.85 0.44 -0.25 1.25 3.57 -0.73 -0.84 116.94 121.24 2r3f h PHE 109 Ca 0.21 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2r3f h PHE 109 Cb 0.13 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2r3f h PHE 109 CO 0.00 0.27 0.00 1.96 -2.23 0.00 0.00 178.31 178.31 2r3f h GLN 110 N 0.48 0.44 -0.99 1.11 4.20 -0.89 -1.85 115.11 117.60 2r3f h GLN 110 Ca 0.15 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2r3f h GLN 110 Cb -0.01 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 2r3f h GLN 110 CO -0.06 0.61 0.66 -0.07 -0.67 0.00 0.00 178.83 179.30 2r3f h LEU 111 N 0.21 1.13 -1.31 1.46 3.38 -0.74 -1.66 115.31 117.78 2r3f h LEU 111 Ca 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2r3f h LEU 111 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2r3f h LEU 111 CO 0.01 0.82 0.10 -0.07 0.09 0.00 0.00 178.44 179.39 2r3f h LEU 112 N 1.34 0.52 -0.71 1.67 3.38 -0.97 -0.27 115.31 120.26 2r3f h LEU 112 Ca 0.37 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 2r3f h LEU 112 Cb -0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2r3f h LEU 112 CO -0.08 0.52 -0.04 1.56 0.09 0.00 0.00 178.44 180.49 2r3f h GLN 113 N 0.56 0.95 -0.36 1.13 4.20 -0.63 0.87 115.11 121.82 2r3f h GLN 113 Ca 0.13 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 2r3f h GLN 113 Cb 0.21 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2r3f h GLN 113 CO -0.00 0.96 0.10 0.78 -0.67 0.00 0.00 178.83 180.00 2r3f h GLY 114 N 0.98 0.61 0.96 3.46 0.00 -0.79 -1.71 103.07 106.58 2r3f h GLY 114 Ca 0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2r3f h GLY 114 CO 0.03 0.35 0.03 1.41 0.00 0.00 0.00 176.54 178.36 2r3f h LEU 115 N 0.43 0.71 -1.01 3.11 3.38 -0.90 -1.97 115.31 119.05 2r3f h LEU 115 Ca 0.11 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2r3f h LEU 115 Cb 0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2r3f h LEU 115 CO -0.00 0.82 0.66 0.00 0.09 0.00 0.00 178.44 180.01 2r3f h ALA 116 N 0.92 1.32 0.21 1.53 0.00 -0.58 0.24 119.26 122.89 2r3f h ALA 116 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2r3f h ALA 116 Cb 0.43 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2r3f h ALA 116 CO 0.02 0.60 -0.10 0.35 0.00 0.00 0.00 179.25 180.12 2r3f h PHE 117 N 1.31 -0.26 -0.63 0.00 3.57 -1.12 -1.46 116.94 118.35 2r3f h PHE 117 Ca 0.39 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 2r3f h PHE 117 Cb -0.06 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2r3f h PHE 117 CO -0.00 0.04 0.19 0.00 -2.23 0.00 0.00 178.31 176.31 2r3f h HIS 119 N 0.91 0.00 0.00 0.00 3.86 -0.54 -1.03 115.15 118.35 2r3f h HIS 119 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2r3f h HIS 119 Cb 0.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 2r3f h HIS 119 CO 0.02 0.12 -0.04 0.66 0.86 0.00 0.00 177.93 179.55 2r3f h SER 120 N 0.00 0.00 -0.63 2.45 4.64 -0.77 -1.43 113.55 117.81 2r3f h SER 120 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r3f h SER 120 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2r3f h SER 120 CO 0.02 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.42 2r3f n HIS 121 N -3.15 1.26 -2.02 4.77 8.25 -0.49 -4.95 115.22 118.89 2r3f n HIS 121 Ca 0.01 -0.59 -0.18 0.00 -0.26 0.00 0.00 57.72 56.70 2r3f n HIS 121 Cb 0.33 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2r3f n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2r3f n ARG 122 N 1.13 -1.36 -4.18 -0.41 1.74 -0.54 -4.99 116.66 108.04 2r3f n ARG 122 Ca 0.24 0.97 -0.35 0.00 -0.77 0.00 0.00 57.85 57.95 2r3f n ARG 122 Cb 0.79 -5.38 -0.10 0.00 -1.02 0.00 0.00 32.46 26.75 2r3f n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2r3f s VAL 123 N -2.81 4.51 0.26 1.55 1.01 -0.60 -4.99 120.40 119.32 2r3f s VAL 123 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.91 2r3f s VAL 123 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2r3f s VAL 123 CO 0.00 0.52 0.13 -0.76 0.00 0.00 0.00 175.10 174.99 2r3f s LEU 124 N -0.05 3.61 -0.18 3.92 1.02 -1.26 -3.65 118.68 122.08 2r3f s LEU 124 Ca 0.05 -0.38 -0.14 0.00 0.02 0.00 0.00 54.13 53.67 2r3f s LEU 124 Cb -0.12 -2.14 -0.09 0.00 0.02 0.00 0.00 46.19 43.86 2r3f s LEU 124 CO 0.02 -0.02 -0.13 1.57 0.02 0.00 0.00 176.35 177.81 2r3f n HIS 125 N -1.07 0.69 0.00 0.29 -0.00 -1.26 -2.69 115.22 111.18 2r3f n HIS 125 Ca -0.07 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.41 2r3f n HIS 125 Cb 0.58 -0.84 0.00 0.00 -0.12 0.00 0.00 29.99 29.62 2r3f n HIS 125 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2r3f n ARG 126 N -4.50 0.00 -2.68 1.57 1.74 -1.26 -4.28 116.66 107.25 2r3f n ARG 126 Ca -0.20 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.80 2r3f n ARG 126 Cb 0.49 -0.84 0.04 0.00 -1.02 0.00 0.00 32.46 31.12 2r3f n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2r3f n ASP 127 N 0.00 1.24 -4.77 0.55 2.03 -1.26 -5.02 116.55 109.33 2r3f n ASP 127 Ca 0.00 -2.62 -0.40 0.00 0.52 0.00 0.00 54.79 52.28 2r3f n ASP 127 Cb 0.00 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 2r3f n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2r3f s LEU 128 N -3.20 4.44 -0.00 -2.67 1.43 -1.26 -4.95 118.68 112.46 2r3f s LEU 128 Ca 0.27 2.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.68 2r3f s LEU 128 Cb 0.44 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 43.10 2r3f s LEU 128 CO 0.02 -0.47 0.88 -1.59 0.23 0.00 0.00 176.35 175.42 2r3f s LYS 129 N -1.75 0.83 0.41 1.70 -2.85 -1.26 -4.80 119.74 112.02 2r3f s LYS 129 Ca 0.48 -0.30 0.15 0.00 -1.00 0.00 0.00 55.97 55.31 2r3f s LYS 129 Cb -0.38 0.38 1.02 0.00 -2.06 0.00 0.00 37.83 36.80 2r3f s LYS 129 CO 0.50 -0.36 1.88 -1.35 0.10 0.00 0.00 175.35 176.11 2r3f h PRO 130 N 2.01 0.45 -0.06 1.78 0.11 -1.95 -1.11 132.00 133.23 2r3f h PRO 130 Ca -0.23 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.88 2r3f h PRO 130 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2r3f h PRO 130 CO 0.31 0.30 0.06 0.37 -0.21 0.00 0.00 178.00 178.83 2r3f h GLN 131 N 0.46 0.00 -0.30 1.05 4.15 -1.96 -2.16 115.11 116.36 2r3f h GLN 131 Ca 0.43 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.82 2r3f h GLN 131 Cb 0.98 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 2r3f h GLN 131 CO -0.16 0.00 0.01 0.27 -1.93 0.00 0.00 178.83 177.01 2r3f n ASN 132 N -3.93 3.78 -4.28 -0.69 0.23 -0.42 -4.82 115.26 105.13 2r3f n ASN 132 Ca -0.01 -3.12 -0.37 0.00 -0.53 0.00 0.00 54.58 50.54 2r3f n ASN 132 Cb 0.16 -0.57 -0.13 0.00 -2.08 0.00 0.00 39.78 37.17 2r3f n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2r3f s LEU 133 N -2.89 4.17 -0.01 -4.53 1.43 -0.83 -0.73 118.68 115.30 2r3f s LEU 133 Ca 0.43 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2r3f s LEU 133 Cb 0.36 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2r3f s LEU 133 CO 0.08 -0.29 0.03 -0.76 0.23 0.00 0.00 176.35 175.64 2r3f s LEU 134 N 1.41 3.65 0.08 1.79 1.43 0.04 -0.25 118.68 126.84 2r3f s LEU 134 Ca -0.01 0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2r3f s LEU 134 Cb -0.19 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2r3f s LEU 134 CO 0.02 0.29 -0.18 0.27 0.23 0.00 0.00 176.35 176.98 2r3f s ILE 135 N -1.10 1.46 0.54 -0.59 -4.36 0.51 -0.59 121.20 117.06 2r3f s ILE 135 Ca 0.20 -1.40 0.02 0.00 -0.26 0.00 0.00 60.65 59.21 2r3f s ILE 135 Cb -0.12 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.27 2r3f s ILE 135 CO 0.11 -0.09 0.17 0.54 0.24 0.00 0.00 174.94 175.90 2r3f s ASN 136 N -1.74 4.35 0.00 4.36 2.20 -1.03 -3.33 114.94 119.75 2r3f s ASN 136 Ca 0.03 -1.55 0.27 0.00 -0.94 0.00 0.00 52.86 50.67 2r3f s ASN 136 Cb -0.10 0.65 1.50 0.00 -2.00 0.00 0.00 41.25 41.30 2r3f s ASN 136 CO 0.03 -1.03 1.95 0.35 -2.94 0.00 0.00 177.10 175.47 2r3f n THR 137 N -1.52 0.07 1.16 0.54 -2.24 -1.26 -3.30 114.28 107.73 2r3f n THR 137 Ca -0.14 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 2r3f n THR 137 Cb 0.66 -0.58 0.22 0.00 -2.10 0.00 0.00 70.33 68.53 2r3f n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r3f n GLU 138 N -1.14 1.34 -0.18 -0.78 -0.58 -1.26 -4.74 120.64 113.30 2r3f n GLU 138 Ca 0.17 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.93 2r3f n GLU 138 Cb 0.15 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2r3f n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r3f n GLY 139 N 1.34 0.70 3.88 0.62 0.00 -1.21 -4.80 105.19 105.73 2r3f n GLY 139 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2r3f n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3f s ALA 140 N -2.23 3.24 0.01 4.61 0.00 -1.26 -4.89 121.76 121.23 2r3f s ALA 140 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2r3f s ALA 140 Cb 0.00 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2r3f s ALA 140 CO 0.00 -0.35 -0.01 -1.50 0.00 0.00 0.00 175.76 173.89 2r3f s ILE 141 N -2.77 0.06 0.02 0.00 2.07 -1.26 -2.46 121.20 116.87 2r3f s ILE 141 Ca 0.53 -0.42 0.01 0.00 -1.41 0.00 0.00 60.65 59.35 2r3f s ILE 141 Cb -0.10 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 2r3f s ILE 141 CO 0.42 -0.22 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.64 2r3f s LYS 142 N -0.67 0.36 -0.17 3.50 1.02 0.24 -4.69 119.74 119.33 2r3f s LYS 142 Ca -0.07 -0.62 -0.20 0.00 0.02 0.00 0.00 55.97 55.10 2r3f s LYS 142 Cb -0.05 -0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 2r3f s LYS 142 CO -0.00 -0.02 0.57 -0.51 -0.92 0.00 0.00 175.35 174.47 2r3f s LEU 143 N -1.41 4.19 0.16 3.17 1.02 0.13 -0.78 118.68 125.15 2r3f s LEU 143 Ca -0.14 0.81 0.00 0.00 0.02 0.00 0.00 54.13 54.83 2r3f s LEU 143 Cb -0.09 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.26 2r3f s LEU 143 CO -0.01 -0.18 0.32 0.00 0.02 0.00 0.00 176.35 176.51 2r3f s ALA 144 N 1.47 3.91 -1.33 4.21 0.00 0.10 -1.30 121.76 128.81 2r3f s ALA 144 Ca 0.28 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2r3f s ALA 144 Cb -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2r3f s ALA 144 CO 0.11 0.55 0.00 -0.25 0.00 0.00 0.00 175.76 176.17 2r3f n ASP 145 N -0.42 -4.47 -4.75 0.00 8.00 -1.26 -4.88 116.55 108.77 2r3f n ASP 145 Ca -0.05 0.20 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 2r3f n ASP 145 Cb 0.53 -3.34 -0.02 0.00 -0.02 0.00 0.00 41.12 38.27 2r3f n ASP 145 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2r3f s PHE 146 N -2.57 2.90 0.00 1.24 2.19 -1.26 -2.34 117.98 118.14 2r3f s PHE 146 Ca 0.00 0.90 0.00 0.00 0.33 0.00 0.00 56.93 58.16 2r3f s PHE 146 Cb 0.00 -3.93 0.00 0.00 -1.31 0.00 0.00 43.02 37.78 2r3f s PHE 146 CO 0.00 -3.10 0.00 0.41 1.83 0.00 0.00 175.22 174.36 2r3f n GLY 147 N 2.25 2.57 0.20 13.12 0.00 -1.09 -4.88 105.19 117.35 2r3f n GLY 147 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2r3f n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2r3f h LEU 148 N 0.00 0.06 -0.67 0.99 3.38 -1.75 -3.04 115.31 114.28 2r3f h LEU 148 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2r3f h LEU 148 Cb 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2r3f h LEU 148 CO 0.00 0.38 0.41 0.00 0.09 0.00 0.00 178.44 179.32 2r3f h ALA 149 N 1.63 0.85 -0.27 1.53 0.00 -1.79 0.15 119.26 121.36 2r3f h ALA 149 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2r3f h ALA 149 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2r3f h ALA 149 CO 0.04 0.32 -0.40 -0.09 0.00 0.00 0.00 179.25 179.12 2r3f h ARG 150 N 0.91 0.65 -0.30 0.00 2.43 -1.83 0.62 114.38 116.87 2r3f h ARG 150 Ca 0.24 -0.34 -0.17 0.00 -0.81 0.00 0.00 59.98 58.90 2r3f h ARG 150 Cb -0.05 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2r3f h ARG 150 CO -0.05 0.94 -0.50 0.00 -1.51 0.00 0.00 179.97 178.85 2r3f h ALA 151 N 1.02 0.55 0.00 2.80 0.00 -1.35 -3.38 119.26 118.89 2r3f h ALA 151 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2r3f h ALA 151 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2r3f h ALA 151 CO 0.08 0.68 -0.23 1.19 0.00 0.00 0.00 179.25 180.98 2r3f n PHE 152 N -4.01 0.00 0.00 0.00 3.72 0.50 -4.50 117.46 113.16 2r3f n PHE 152 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2r3f n PHE 152 Cb 0.60 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2r3f n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r3f n GLY 153 N 1.31 -0.88 3.12 1.37 0.00 0.22 -4.88 105.19 105.44 2r3f n GLY 153 Ca 0.00 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 2r3f n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r3f s VAL 154 N -2.01 2.57 0.75 1.61 1.01 -1.26 -4.59 120.40 118.48 2r3f s VAL 154 Ca 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.40 2r3f s VAL 154 Cb 0.00 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.96 2r3f s VAL 154 CO 0.00 -0.03 1.12 -2.16 0.00 0.00 0.00 175.10 174.02 2r3f s PRO 155 N 1.19 2.37 0.14 2.72 0.04 -1.26 -4.99 135.00 135.21 2r3f s PRO 155 Ca -0.06 0.20 -0.06 0.00 0.04 0.00 0.00 61.00 61.12 2r3f s PRO 155 Cb -0.19 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2r3f s PRO 155 CO -0.03 -1.30 1.35 0.28 0.04 0.00 0.00 177.00 177.34 2r3f h VAL 156 N -0.81 1.36 -3.73 -0.36 2.07 -1.95 -3.43 116.25 109.39 2r3f h VAL 156 Ca -0.45 -2.21 -0.43 0.00 0.82 0.00 0.00 66.70 64.43 2r3f h VAL 156 Cb 1.30 2.20 -0.20 0.00 -1.52 0.00 0.00 31.29 33.07 2r3f h VAL 156 CO 0.64 0.67 -0.77 -0.13 0.02 0.00 0.00 177.57 178.00 2r3f s ARG 157 N -3.52 0.97 1.08 1.57 1.81 -1.26 -1.54 118.95 118.06 2r3f s ARG 157 Ca -0.07 -1.14 -0.18 0.00 -1.72 0.00 0.00 55.73 52.62 2r3f s ARG 157 Cb 0.09 -0.92 0.26 0.00 -0.45 0.00 0.00 34.95 33.92 2r3f s ARG 157 CO 0.87 0.19 1.28 0.95 -0.68 0.00 0.00 175.30 177.90 2r3f s THR 158 N -1.77 1.83 0.59 0.02 -4.23 0.57 -4.83 115.64 107.83 2r3f s THR 158 Ca 0.05 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.91 2r3f s THR 158 Cb -0.07 -2.83 0.38 0.00 1.34 0.00 0.00 72.50 71.32 2r3f s THR 158 CO 0.03 0.00 2.28 0.10 -0.54 0.00 0.00 174.62 176.48 2r3f h TYR 159 N -2.10 0.00 -0.54 3.99 -0.00 -1.69 0.63 116.97 117.25 2r3f h TYR 159 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 2r3f h TYR 159 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 2r3f h TYR 159 CO -1.92 0.01 0.00 0.25 -0.00 0.00 0.00 178.16 176.50 2r3f n THR 160 N -3.58 2.48 -0.90 -0.90 -2.24 -1.26 -4.94 114.28 102.94 2r3f n THR 160 Ca -0.03 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 2r3f n THR 160 Cb 0.09 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2r3f n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2r3f n HIS 161 N 0.55 0.00 -2.09 4.78 8.25 0.21 -5.00 115.22 121.92 2r3f n HIS 161 Ca 0.26 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.31 2r3f n HIS 161 Cb 1.08 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.84 2r3f n HIS 161 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2r3f s GLU 162 N -0.23 4.32 0.14 -0.41 2.12 -1.26 -4.57 118.70 118.81 2r3f s GLU 162 Ca 0.00 2.23 -0.31 0.00 0.36 0.00 0.00 54.97 57.25 2r3f s GLU 162 Cb 0.00 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.20 2r3f s GLU 162 CO 0.00 -0.30 1.50 0.08 -0.54 0.00 0.00 175.26 176.00 2r3f s VAL 163 N -0.49 2.93 -0.12 3.70 1.01 -1.26 -0.31 120.40 125.86 2r3f s VAL 163 Ca 0.54 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 2r3f s VAL 163 Cb -0.40 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2r3f s VAL 163 CO 0.47 0.05 1.16 -0.69 0.00 0.00 0.00 175.10 176.09 2r3f s VAL 164 N 1.23 4.41 0.45 2.92 1.01 -0.59 -4.87 120.40 124.95 2r3f s VAL 164 Ca 0.68 1.71 -0.26 0.00 0.00 0.00 0.00 61.98 64.11 2r3f s VAL 164 Cb -0.41 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 2r3f s VAL 164 CO 0.31 -0.06 1.45 1.07 0.00 0.00 0.00 175.10 177.87 2r3f n THR 165 N 4.89 2.74 1.01 3.92 5.66 -1.26 -4.92 114.28 126.31 2r3f n THR 165 Ca 0.11 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.72 2r3f n THR 165 Cb 0.46 -1.87 -0.03 0.00 -1.55 0.00 0.00 70.33 67.34 2r3f n THR 165 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2r3f n LEU 166 N -0.14 1.49 0.05 1.09 4.77 -1.26 -4.64 117.00 118.35 2r3f n LEU 166 Ca 0.05 -0.60 0.18 0.00 -0.03 0.00 0.00 56.01 55.61 2r3f n LEU 166 Cb 0.41 -0.01 0.68 0.00 -2.33 0.00 0.00 43.42 42.17 2r3f n LEU 166 CO 0.60 0.31 1.16 -0.50 -1.33 0.00 0.00 177.39 177.63 2r3f h TRP 167 N 1.25 0.00 -0.37 -1.77 4.06 -1.82 -2.07 115.95 115.23 2r3f h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2r3f h TRP 167 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.79 2r3f h TRP 167 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 2r3f n TYR 168 N -4.40 0.71 -2.65 0.49 4.01 -1.26 -4.51 117.16 109.55 2r3f n TYR 168 Ca 0.07 -0.61 -0.42 0.00 -0.16 0.00 0.00 57.90 56.79 2r3f n TYR 168 Cb 0.52 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 2r3f n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2r3f s ARG 169 N -1.55 4.58 0.56 -0.72 3.52 -0.78 -3.82 118.95 120.74 2r3f s ARG 169 Ca 0.32 1.51 -0.19 0.00 -0.13 0.00 0.00 55.73 57.24 2r3f s ARG 169 Cb 0.20 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 2r3f s ARG 169 CO 0.16 0.00 1.17 0.00 -0.81 0.00 0.00 175.30 175.82 2r3f s ALA 170 N 0.62 2.66 0.42 6.12 0.00 -1.26 -4.89 121.76 125.44 2r3f s ALA 170 Ca 0.51 0.91 0.13 0.00 0.00 0.00 0.00 51.96 53.51 2r3f s ALA 170 Cb -0.24 -3.40 0.91 0.00 0.00 0.00 0.00 23.12 20.39 2r3f s ALA 170 CO 0.29 -0.92 1.96 -1.00 0.00 0.00 0.00 175.76 176.09 2r3f h PRO 171 N 1.15 0.09 -0.16 0.00 0.13 -1.95 -1.77 132.00 129.49 2r3f h PRO 171 Ca -0.50 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 2r3f h PRO 171 Cb 1.28 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2r3f h PRO 171 CO 0.56 0.26 -0.17 1.05 -0.23 0.00 0.00 178.00 179.47 2r3f h GLU 172 N 0.09 0.26 -0.13 0.86 9.09 -1.91 0.42 114.58 123.26 2r3f h GLU 172 Ca 0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.32 2r3f h GLU 172 Cb 0.35 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.42 2r3f h GLU 172 CO 0.02 0.43 -0.08 0.82 0.05 0.00 0.00 179.01 180.26 2r3f h ILE 173 N 0.24 1.33 -0.01 -1.06 2.04 -1.63 -0.30 117.51 118.11 2r3f h ILE 173 Ca 0.05 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2r3f h ILE 173 Cb 0.45 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2r3f h ILE 173 CO 0.03 0.33 -0.02 -0.07 0.00 0.00 0.00 178.15 178.42 2r3f h LEU 174 N -0.09 0.02 -1.03 1.44 3.38 -1.07 -1.59 115.31 116.37 2r3f h LEU 174 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2r3f h LEU 174 Cb 0.56 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2r3f h LEU 174 CO 0.02 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.77 2r3f n LEU 175 N -4.51 1.55 0.00 1.67 4.77 0.10 -4.85 117.00 115.72 2r3f n LEU 175 Ca -0.03 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2r3f n LEU 175 Cb 0.11 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2r3f n LEU 175 CO 0.34 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2r3f n GLY 176 N 1.09 0.66 3.73 -0.72 0.00 -0.60 -0.99 105.19 108.37 2r3f n GLY 176 Ca 0.15 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2r3f n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3f h LYS 178 N 5.71 0.16 -1.30 0.00 1.57 -1.96 -3.40 116.57 117.35 2r3f h LYS 178 Ca -0.45 -0.27 -0.60 0.00 -1.87 0.00 0.00 60.65 57.46 2r3f h LYS 178 Cb 1.21 0.10 -0.40 0.00 0.08 0.00 0.00 32.23 33.22 2r3f h LYS 178 CO 0.83 0.98 -0.49 0.66 -0.57 0.00 0.00 179.45 180.86 2r3f n TYR 179 N -3.36 3.16 -0.95 -1.35 4.01 -1.26 -5.07 117.16 112.33 2r3f n TYR 179 Ca -0.14 -2.76 -0.34 0.00 -0.16 0.00 0.00 57.90 54.50 2r3f n TYR 179 Cb 1.03 -0.35 0.10 0.00 -0.31 0.00 0.00 39.34 39.81 2r3f n TYR 179 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2r3f n TYR 180 N -0.58 -1.47 -3.89 -0.72 0.18 -1.26 -5.03 117.16 104.40 2r3f n TYR 180 Ca 0.43 0.25 -0.13 0.00 1.88 0.00 0.00 57.90 60.34 2r3f n TYR 180 Cb 0.72 -1.80 -0.01 0.00 -0.38 0.00 0.00 39.34 37.86 2r3f n TYR 180 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2r3f n SER 181 N -0.73 2.06 0.31 9.48 3.41 -1.26 -5.00 113.62 121.89 2r3f n SER 181 Ca 0.07 -1.90 0.19 0.00 -0.26 0.00 0.00 58.87 56.97 2r3f n SER 181 Cb 0.53 0.04 1.04 0.00 -0.26 0.00 0.00 64.21 65.56 2r3f n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2r3f h THR 182 N 0.75 0.00 0.00 6.66 1.35 -1.95 -1.62 112.91 118.09 2r3f h THR 182 Ca -0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 2r3f h THR 182 Cb 0.58 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2r3f h THR 182 CO 0.27 0.00 -0.02 0.00 -0.25 0.00 0.00 175.52 175.52 2r3f h ALA 183 N 1.85 1.50 -0.09 6.62 0.00 -1.94 -1.85 119.26 125.35 2r3f h ALA 183 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2r3f h ALA 183 Cb 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2r3f h ALA 183 CO 0.00 0.03 -0.03 -0.39 0.00 0.00 0.00 179.25 178.86 2r3f h VAL 184 N 0.00 1.08 0.05 0.00 -1.51 -1.68 -1.96 116.25 112.23 2r3f h VAL 184 Ca -0.00 -0.32 -0.23 0.00 -1.23 0.00 0.00 66.70 64.92 2r3f h VAL 184 Cb 0.06 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 2r3f h VAL 184 CO 0.00 0.10 -1.04 0.44 -1.23 0.00 0.00 177.57 175.84 2r3f h ASP 185 N 0.12 0.30 -0.84 4.19 3.32 -1.55 -2.70 116.42 119.25 2r3f h ASP 185 Ca 0.03 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 2r3f h ASP 185 Cb 0.14 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2r3f h ASP 185 CO 0.01 1.16 0.42 0.40 -1.72 0.00 0.00 179.24 179.50 2r3f h ILE 186 N 0.09 1.26 0.07 0.35 1.08 -1.47 -0.94 117.51 117.94 2r3f h ILE 186 Ca -0.07 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2r3f h ILE 186 Cb 1.73 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2r3f h ILE 186 CO 0.16 0.30 -0.05 -0.25 -0.69 0.00 0.00 178.15 177.62 2r3f h TRP 187 N 1.20 -0.14 -0.51 1.37 2.91 -1.32 0.21 115.95 119.67 2r3f h TRP 187 Ca 0.29 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.35 2r3f h TRP 187 Cb 0.10 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.76 2r3f h TRP 187 CO 0.01 -0.09 0.28 0.77 -1.03 0.00 0.00 178.44 178.38 2r3f h SER 188 N -0.13 0.41 -0.27 2.65 0.02 -1.27 -1.16 113.55 113.81 2r3f h SER 188 Ca -0.00 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2r3f h SER 188 Cb 0.12 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2r3f h SER 188 CO -0.00 0.29 -0.01 0.25 -1.14 0.00 0.00 176.83 176.21 2r3f h LEU 189 N 0.54 0.57 -0.77 5.07 5.85 -0.98 -1.09 115.31 124.50 2r3f h LEU 189 Ca 0.22 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2r3f h LEU 189 Cb 0.10 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2r3f h LEU 189 CO -0.14 0.65 0.12 1.23 -0.34 0.00 0.00 178.44 179.96 2r3f h GLY 190 N 0.89 1.13 1.20 3.75 0.00 -0.05 0.64 103.07 110.62 2r3f h GLY 190 Ca 0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 2r3f h GLY 190 CO 0.01 0.67 0.26 0.00 0.00 0.00 0.00 176.54 177.48 2r3f h ILE 192 N 0.99 1.29 -0.32 0.00 2.04 -0.86 -2.19 117.51 118.48 2r3f h ILE 192 Ca 0.23 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.81 2r3f h ILE 192 Cb 0.21 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 2r3f h ILE 192 CO -0.02 0.44 -0.13 0.15 0.00 0.00 0.00 178.15 178.59 2r3f h PHE 193 N 0.47 -0.31 -0.89 1.37 3.57 -0.57 -0.44 116.94 120.14 2r3f h PHE 193 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2r3f h PHE 193 Cb 0.76 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 2r3f h PHE 193 CO 0.06 -0.20 0.52 0.00 -2.23 0.00 0.00 178.31 176.46 2r3f h ALA 194 N 1.19 1.24 -0.48 2.41 0.00 -1.27 -2.11 119.26 120.26 2r3f h ALA 194 Ca 0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2r3f h ALA 194 Cb 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2r3f h ALA 194 CO -0.37 0.64 -0.10 1.49 0.00 0.00 0.00 179.25 180.91 2r3f h GLU 195 N 1.23 0.87 -0.63 0.00 4.81 -0.85 -0.75 114.58 119.26 2r3f h GLU 195 Ca 0.32 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2r3f h GLU 195 Cb -0.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2r3f h GLU 195 CO -0.06 0.93 0.07 0.52 -0.73 0.00 0.00 179.01 179.74 2r3f h MET 196 N 0.78 1.06 -0.09 1.92 2.86 -0.53 0.29 114.93 121.23 2r3f h MET 196 Ca 0.13 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2r3f h MET 196 Cb 0.61 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2r3f h MET 196 CO 0.04 1.00 -0.02 0.28 1.06 0.00 0.00 176.91 179.27 2r3f h VAL 197 N 0.97 1.29 0.00 -2.22 2.07 -1.19 -3.34 116.25 113.82 2r3f h VAL 197 Ca 0.19 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2r3f h VAL 197 Cb 0.48 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2r3f h VAL 197 CO 0.02 0.26 -0.70 0.35 0.02 0.00 0.00 177.57 177.52 2r3f n THR 198 N -4.79 0.31 -1.70 2.57 -2.24 -0.31 -4.81 114.28 103.31 2r3f n THR 198 Ca -0.07 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 2r3f n THR 198 Cb 0.23 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 2r3f n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2r3f n ARG 199 N -2.07 -0.80 -3.79 -0.78 1.74 0.09 -5.02 116.66 106.04 2r3f n ARG 199 Ca 0.03 0.72 -0.13 0.00 -0.77 0.00 0.00 57.85 57.71 2r3f n ARG 199 Cb 0.44 -4.74 -0.12 0.00 -1.02 0.00 0.00 32.46 27.02 2r3f n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2r3f s ARG 200 N -3.62 0.29 0.34 5.56 3.52 -1.22 -5.06 118.95 118.75 2r3f s ARG 200 Ca 0.00 0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.67 2r3f s ARG 200 Cb 0.00 0.13 -0.12 0.00 -1.56 0.00 0.00 34.95 33.40 2r3f s ARG 200 CO 0.00 -0.04 1.41 0.00 -0.81 0.00 0.00 175.30 175.86 2r3f n ALA 201 N 2.99 1.83 -0.02 6.12 0.00 -1.26 -4.23 120.51 125.93 2r3f n ALA 201 Ca -0.13 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 2r3f n ALA 201 Cb 0.58 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 2r3f n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2r3f h LEU 202 N 3.12 0.01 -6.59 0.00 5.85 -1.92 -3.40 115.31 112.38 2r3f h LEU 202 Ca -0.48 -0.57 -0.60 0.00 0.84 0.00 0.00 57.88 57.08 2r3f h LEU 202 Cb 1.26 -0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.89 2r3f h LEU 202 CO 0.66 0.58 -0.82 0.49 -0.34 0.00 0.00 178.44 179.02 2r3f n PHE 203 N -4.81 0.92 -1.63 1.25 3.72 -1.26 -5.02 117.46 110.63 2r3f n PHE 203 Ca -0.09 -3.75 -0.40 0.00 -0.05 0.00 0.00 57.45 53.16 2r3f n PHE 203 Cb 0.29 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 2r3f n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2r3f n PRO 204 N 2.29 3.50 -2.03 -1.08 -0.04 -1.26 -4.36 135.00 132.03 2r3f n PRO 204 Ca 0.26 -2.61 -0.37 0.00 -0.04 0.00 0.00 63.50 60.73 2r3f n PRO 204 Cb 0.43 -2.96 0.02 0.00 -0.04 0.00 0.00 33.50 30.95 2r3f n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2r3f s GLY 205 N 2.20 2.82 -0.09 0.55 0.00 -1.26 -4.94 107.32 106.59 2r3f s GLY 205 Ca 0.57 1.11 0.13 0.00 0.00 0.00 0.00 44.72 46.53 2r3f s GLY 205 CO -0.07 1.58 1.10 2.09 0.00 0.00 0.00 173.10 177.80 2r3f n ASP 206 N -0.90 2.20 -3.61 1.64 5.75 -1.26 -4.62 116.55 115.75 2r3f n ASP 206 Ca 0.10 -2.74 -0.05 0.00 -0.01 0.00 0.00 54.79 52.08 2r3f n ASP 206 Cb 0.47 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 2r3f n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2r3f s SER 207 N -2.29 -0.25 0.21 -1.12 1.04 -1.26 -4.99 113.70 105.04 2r3f s SER 207 Ca 0.22 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 2r3f s SER 207 Cb 0.19 0.37 0.16 0.00 0.10 0.00 0.00 66.02 66.85 2r3f s SER 207 CO 0.02 -0.64 1.84 -0.33 0.98 0.00 0.00 173.24 175.11 2r3f h GLU 208 N 2.00 1.07 -0.16 4.02 5.08 -1.99 0.73 114.58 125.33 2r3f h GLU 208 Ca -0.22 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 57.88 2r3f h GLU 208 Cb 1.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2r3f h GLU 208 CO 0.28 0.77 -0.52 0.97 -1.00 0.00 0.00 179.01 179.51 2r3f h ILE 209 N 1.07 1.33 -0.38 3.13 6.09 -1.97 -1.18 117.51 125.61 2r3f h ILE 209 Ca 0.28 -1.77 -0.11 0.00 -1.37 0.00 0.00 64.86 61.88 2r3f h ILE 209 Cb -0.00 1.78 -0.01 0.00 0.47 0.00 0.00 36.82 39.05 2r3f h ILE 209 CO -0.05 0.54 -0.22 -0.78 -3.07 0.00 0.00 178.15 174.58 2r3f h ASP 210 N 0.34 0.75 0.09 2.19 3.58 -1.85 0.94 116.42 122.46 2r3f h ASP 210 Ca 0.01 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2r3f h ASP 210 Cb 1.03 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2r3f h ASP 210 CO 0.09 0.95 -0.05 -0.61 -2.88 0.00 0.00 179.24 176.75 2r3f h GLN 211 N 0.65 -0.12 -0.31 0.28 5.75 -0.66 -0.14 115.11 120.56 2r3f h GLN 211 Ca 0.09 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2r3f h GLN 211 Cb 0.72 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 2r3f h GLN 211 CO 0.06 0.03 0.20 1.25 -2.65 0.00 0.00 178.83 177.71 2r3f h LEU 212 N -0.25 0.35 -1.30 -2.39 5.85 -1.08 -1.69 115.31 114.80 2r3f h LEU 212 Ca -0.01 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2r3f h LEU 212 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2r3f h LEU 212 CO 0.02 0.25 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.77 2r3f h PHE 213 N 0.42 0.00 -0.43 1.25 0.04 -0.73 -0.37 116.94 117.12 2r3f h PHE 213 Ca 0.11 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 2r3f h PHE 213 Cb -0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2r3f h PHE 213 CO -0.06 0.34 -0.29 0.00 -0.60 0.00 0.00 178.31 177.70 2r3f h ARG 214 N 0.00 0.96 -0.28 1.51 3.08 -0.71 -0.46 114.38 118.48 2r3f h ARG 214 Ca -0.00 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2r3f h ARG 214 Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2r3f h ARG 214 CO 0.04 1.12 0.18 0.82 -1.07 0.00 0.00 179.97 181.07 2r3f h ILE 215 N 0.80 1.07 -0.65 2.04 2.04 -0.70 -2.81 117.51 119.29 2r3f h ILE 215 Ca 0.09 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2r3f h ILE 215 Cb 0.88 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2r3f h ILE 215 CO 0.08 0.07 0.16 -0.26 0.00 0.00 0.00 178.15 178.20 2r3f h PHE 216 N 0.38 1.06 -0.06 1.37 0.04 -0.94 -0.29 116.94 118.49 2r3f h PHE 216 Ca 0.10 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2r3f h PHE 216 Cb -0.04 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.80 2r3f h PHE 216 CO -0.06 0.87 0.02 0.00 -0.60 0.00 0.00 178.31 178.54 2r3f h ARG 217 N 0.97 0.08 0.06 1.51 3.08 -0.84 0.27 114.38 119.53 2r3f h ARG 217 Ca 0.21 -0.01 -0.36 0.00 0.07 0.00 0.00 59.98 59.89 2r3f h ARG 217 Cb 0.34 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2r3f h ARG 217 CO -0.00 0.07 -2.09 2.41 -1.07 0.00 0.00 179.97 179.29 2r3f n THR 218 N -4.51 1.64 0.94 2.04 -1.04 -1.00 -4.52 114.28 107.83 2r3f n THR 218 Ca -0.02 -0.52 0.11 0.00 -2.04 0.00 0.00 64.05 61.58 2r3f n THR 218 Cb 0.10 -1.70 0.06 0.00 -1.82 0.00 0.00 70.33 66.97 2r3f n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2r3f n LEU 219 N -3.61 2.55 0.00 -4.42 4.77 -0.15 -0.61 117.00 115.53 2r3f n LEU 219 Ca -0.38 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 2r3f n LEU 219 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 2r3f n LEU 219 CO 0.31 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2r3f n GLY 220 N 1.30 -0.98 3.68 -0.72 0.00 0.96 -4.50 105.19 104.93 2r3f n GLY 220 Ca 0.12 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 2r3f n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r3f s THR 221 N -3.11 3.43 0.47 2.61 2.01 -0.71 -4.56 115.64 115.80 2r3f s THR 221 Ca 0.00 0.80 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 2r3f s THR 221 Cb 0.00 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 2r3f s THR 221 CO 0.00 -0.02 1.27 -2.16 -0.69 0.00 0.00 174.62 173.03 2r3f s PRO 222 N 2.79 3.60 0.28 4.92 0.04 -1.26 -4.87 135.00 140.50 2r3f s PRO 222 Ca 0.69 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.84 2r3f s PRO 222 Cb -0.35 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2r3f s PRO 222 CO 0.29 -0.76 0.22 -0.40 0.04 0.00 0.00 177.00 176.39 2r3f n ASP 223 N -0.50 -0.37 0.30 6.66 5.68 -1.26 -4.98 116.55 122.07 2r3f n ASP 223 Ca 0.07 -2.80 0.20 0.00 -0.50 0.00 0.00 54.79 51.76 2r3f n ASP 223 Cb 0.46 1.31 0.93 0.00 -1.14 0.00 0.00 41.12 42.68 2r3f n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2r3f h GLU 224 N 0.00 0.00 0.05 0.11 4.39 -1.96 -0.75 114.58 116.42 2r3f h GLU 224 Ca -0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 2r3f h GLU 224 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2r3f h GLU 224 CO 0.30 0.00 -0.02 0.28 -1.16 0.00 0.00 179.01 178.40 2r3f h VAL 225 N 0.00 1.29 0.00 3.13 2.07 -1.99 -3.19 116.25 117.55 2r3f h VAL 225 Ca 0.00 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 2r3f h VAL 225 Cb 0.26 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2r3f h VAL 225 CO 0.00 0.31 -0.41 -0.37 0.02 0.00 0.00 177.57 177.12 2r3f h VAL 226 N -0.64 0.47 -1.97 2.57 -1.51 -1.94 -3.41 116.25 109.82 2r3f h VAL 226 Ca -0.01 -1.68 -0.44 0.00 -1.23 0.00 0.00 66.70 63.35 2r3f h VAL 226 Cb 0.55 2.18 -0.31 0.00 -2.13 0.00 0.00 31.29 31.59 2r3f h VAL 226 CO 0.01 0.27 -0.79 0.86 -1.23 0.00 0.00 177.57 176.68 2r3f s TRP 227 N -3.08 0.12 0.14 5.19 -0.11 -0.30 -4.36 118.94 116.55 2r3f s TRP 227 Ca 0.04 -1.54 -0.34 0.00 1.22 0.00 0.00 56.10 55.49 2r3f s TRP 227 Cb 0.07 -0.51 -0.13 0.00 -1.50 0.00 0.00 33.47 31.39 2r3f s TRP 227 CO 0.72 -0.97 1.62 -2.30 -4.62 0.00 0.00 176.95 171.41 2r3f n PRO 228 N 3.26 2.22 0.00 5.86 -0.02 -1.20 -1.31 135.00 143.80 2r3f n PRO 228 Ca 0.22 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2r3f n PRO 228 Cb 0.48 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2r3f n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r3f n GLY 229 N 3.57 1.72 0.35 -1.23 0.00 -1.26 -4.95 105.19 103.39 2r3f n GLY 229 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 2r3f n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2r3f h VAL 230 N 0.00 0.91 0.00 1.61 3.04 -1.51 -1.38 116.25 118.92 2r3f h VAL 230 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2r3f h VAL 230 Cb 0.00 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.15 2r3f h VAL 230 CO 0.00 0.17 0.00 0.35 -1.01 0.00 0.00 177.57 177.08 2r3f n THR 231 N -4.65 0.85 1.05 3.17 -2.24 -1.26 -2.00 114.28 109.20 2r3f n THR 231 Ca 0.18 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 62.30 2r3f n THR 231 Cb 0.35 -0.95 0.14 0.00 -2.10 0.00 0.00 70.33 67.77 2r3f n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2r3f n SER 232 N -1.44 2.79 -4.77 3.42 3.41 -0.52 -4.88 113.62 111.62 2r3f n SER 232 Ca 0.05 -1.92 -0.36 0.00 -0.26 0.00 0.00 58.87 56.38 2r3f n SER 232 Cb 0.16 0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2r3f n SER 232 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2r3f s MET 233 N -2.03 3.51 0.28 4.33 -1.94 -0.84 -4.94 119.30 117.67 2r3f s MET 233 Ca 0.28 1.69 0.03 0.00 -1.71 0.00 0.00 55.69 55.98 2r3f s MET 233 Cb 0.20 -2.17 0.69 0.00 2.01 0.00 0.00 34.83 35.56 2r3f s MET 233 CO 0.32 -0.74 1.70 -1.35 -0.01 0.00 0.00 175.02 174.94 2r3f h PRO 234 N 1.54 0.40 -0.68 2.03 0.11 -1.81 -2.26 132.00 131.32 2r3f h PRO 234 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2r3f h PRO 234 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2r3f h PRO 234 CO 0.58 0.26 0.00 -0.25 -0.21 0.00 0.00 178.00 178.38 2r3f n ASP 235 N -5.04 3.92 -4.75 -2.05 8.00 -0.16 -4.95 116.55 111.51 2r3f n ASP 235 Ca 0.21 -2.05 -0.41 0.00 0.71 0.00 0.00 54.79 53.25 2r3f n ASP 235 Cb 0.62 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 2r3f n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2r3f s TYR 236 N -1.10 3.55 -0.10 1.24 5.04 -0.85 -4.94 117.35 120.19 2r3f s TYR 236 Ca 0.46 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.72 2r3f s TYR 236 Cb 0.25 -3.31 0.02 0.00 0.35 0.00 0.00 41.96 39.26 2r3f s TYR 236 CO 0.30 -0.70 -0.14 0.15 -1.34 0.00 0.00 175.55 173.83 2r3f s LYS 237 N -0.89 2.04 0.67 4.97 -0.14 -1.26 -4.93 119.74 120.20 2r3f s LYS 237 Ca 0.48 -0.50 0.37 0.00 -1.36 0.00 0.00 55.97 54.96 2r3f s LYS 237 Cb -0.31 -1.78 2.03 0.00 -1.68 0.00 0.00 37.83 36.09 2r3f s LYS 237 CO 0.38 -0.08 2.15 -1.35 -0.76 0.00 0.00 175.35 175.69 2r3f h PRO 238 N 7.47 0.00 -0.02 -1.68 0.11 -1.96 -0.27 132.00 135.65 2r3f h PRO 238 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2r3f h PRO 238 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2r3f h PRO 238 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 2r3f n SER 239 N -3.01 0.43 -4.75 -2.05 3.41 -1.26 -4.88 113.62 101.51 2r3f n SER 239 Ca -0.02 -1.24 -0.40 0.00 -0.26 0.00 0.00 58.87 56.94 2r3f n SER 239 Cb 0.23 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 2r3f n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2r3f n PHE 240 N -0.62 2.59 -2.11 7.33 3.72 -0.12 -4.93 117.46 123.32 2r3f n PHE 240 Ca 0.20 0.45 -0.35 0.00 -0.05 0.00 0.00 57.45 57.71 2r3f n PHE 240 Cb 0.17 -2.45 0.02 0.00 -0.94 0.00 0.00 39.48 36.28 2r3f n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2r3f s PRO 241 N -2.37 3.17 -0.44 -1.08 0.02 -1.26 -4.98 135.00 128.06 2r3f s PRO 241 Ca 0.61 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 63.07 2r3f s PRO 241 Cb -0.46 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.12 2r3f s PRO 241 CO 0.58 -0.99 0.34 0.15 -0.33 0.00 0.00 177.00 176.75 2r3f s LYS 242 N -3.47 2.94 0.06 5.54 -0.14 -1.26 -4.81 119.74 118.61 2r3f s LYS 242 Ca 0.72 -1.21 -0.01 0.00 -1.36 0.00 0.00 55.97 54.12 2r3f s LYS 242 Cb -0.24 -4.03 -0.04 0.00 -1.68 0.00 0.00 37.83 31.84 2r3f s LYS 242 CO 0.31 -0.89 0.22 -1.58 -0.76 0.00 0.00 175.35 172.65 2r3f s TRP 243 N 1.64 3.52 0.27 3.18 0.51 -1.26 -4.93 118.94 121.86 2r3f s TRP 243 Ca 0.04 0.28 -0.17 0.00 -2.12 0.00 0.00 56.10 54.13 2r3f s TRP 243 Cb -0.22 -1.78 -0.09 0.00 -0.81 0.00 0.00 33.47 30.57 2r3f s TRP 243 CO 0.08 0.58 0.73 0.00 -0.51 0.00 0.00 176.95 177.82 2r3f s ALA 244 N -1.51 3.37 0.17 0.98 0.00 -1.26 -1.73 121.76 121.78 2r3f s ALA 244 Ca 0.35 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 2r3f s ALA 244 Cb -0.13 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 2r3f s ALA 244 CO 0.27 0.33 1.27 0.50 0.00 0.00 0.00 175.76 178.13 2r3f s ARG 245 N -2.47 4.42 0.40 0.00 3.52 -1.26 -4.23 118.95 119.33 2r3f s ARG 245 Ca 0.48 1.96 -0.11 0.00 -0.13 0.00 0.00 55.73 57.94 2r3f s ARG 245 Cb -0.13 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2r3f s ARG 245 CO 0.19 -0.22 0.78 -0.65 -0.81 0.00 0.00 175.30 174.59 2r3f s GLN 246 N 0.10 3.80 0.31 5.12 -0.21 0.22 -4.90 119.66 124.10 2r3f s GLN 246 Ca 0.56 0.50 -0.28 0.00 0.02 0.00 0.00 55.36 56.17 2r3f s GLN 246 Cb -0.34 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.19 2r3f s GLN 246 CO 0.36 -0.03 1.03 -0.51 -2.12 0.00 0.00 175.29 174.02 2r3f s ASP 247 N -3.10 7.21 0.62 5.90 1.11 -1.26 -4.89 116.67 122.26 2r3f s ASP 247 Ca 0.52 2.08 0.39 0.00 0.18 0.00 0.00 52.55 55.72 2r3f s ASP 247 Cb -0.10 -2.61 2.01 0.00 1.07 0.00 0.00 42.92 43.29 2r3f s ASP 247 CO 0.30 -0.17 2.23 -0.26 1.18 0.00 0.00 175.17 178.46 2r3f h PHE 248 N 3.43 0.00 0.00 4.23 -1.00 -1.97 -0.62 116.94 121.02 2r3f h PHE 248 Ca -0.47 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.28 2r3f h PHE 248 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 2r3f h PHE 248 CO 0.59 0.01 -0.15 0.66 -1.61 0.00 0.00 178.31 177.82 2r3f h SER 249 N 0.00 0.00 0.63 2.17 4.64 -1.94 -1.67 113.55 117.38 2r3f h SER 249 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2r3f h SER 249 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2r3f h SER 249 CO 0.00 0.15 -1.45 0.50 -0.87 0.00 0.00 176.83 175.15 2r3f h LYS 250 N 0.00 0.06 -0.04 4.77 3.64 -1.50 -3.32 116.57 120.17 2r3f h LYS 250 Ca -0.00 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 2r3f h LYS 250 Cb 0.27 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2r3f h LYS 250 CO 0.02 0.80 -0.36 0.28 -2.27 0.00 0.00 179.45 177.92 2r3f h VAL 251 N 0.02 1.45 -1.18 2.00 2.07 -1.14 -3.40 116.25 116.05 2r3f h VAL 251 Ca -0.19 -1.84 -0.47 0.00 0.82 0.00 0.00 66.70 65.02 2r3f h VAL 251 Cb 1.94 2.46 -0.41 0.00 -1.52 0.00 0.00 31.29 33.75 2r3f h VAL 251 CO 0.11 0.52 -0.96 1.33 0.02 0.00 0.00 177.57 178.60 2r3f n VAL 252 N -4.40 1.74 -2.04 2.57 0.24 -0.68 -4.99 118.33 110.77 2r3f n VAL 252 Ca -0.09 -3.98 -0.38 0.00 -2.04 0.00 0.00 64.34 57.86 2r3f n VAL 252 Cb 0.54 -0.29 0.01 0.00 -1.47 0.00 0.00 33.84 32.63 2r3f n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2r3f s PRO 253 N -3.39 3.54 -0.67 7.34 0.04 -1.25 -0.82 135.00 139.79 2r3f s PRO 253 Ca 0.38 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2r3f s PRO 253 Cb 0.42 -2.40 0.40 0.00 0.04 0.00 0.00 34.50 32.96 2r3f s PRO 253 CO -0.07 -0.80 1.78 -0.35 0.04 0.00 0.00 177.00 177.60 2r3f n PRO 254 N -0.61 2.95 -2.05 0.56 -0.04 -1.26 -4.71 135.00 129.84 2r3f n PRO 254 Ca 0.08 -3.71 -0.41 0.00 -0.04 0.00 0.00 63.50 59.42 2r3f n PRO 254 Cb 0.46 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 2r3f n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2r3f s LEU 255 N -3.87 4.40 0.90 1.53 2.96 -0.00 -4.99 118.68 119.61 2r3f s LEU 255 Ca 0.54 2.76 -0.12 0.00 -0.22 0.00 0.00 54.13 57.09 2r3f s LEU 255 Cb 0.45 -3.65 0.13 0.00 0.50 0.00 0.00 46.19 43.62 2r3f s LEU 255 CO -0.23 -0.61 1.13 1.51 -1.32 0.00 0.00 176.35 176.83 2r3f s ASP 256 N -0.36 3.59 0.41 3.68 1.47 -1.26 -4.71 116.67 119.48 2r3f s ASP 256 Ca 0.50 0.99 0.11 0.00 1.18 0.00 0.00 52.55 55.34 2r3f s ASP 256 Cb -0.41 -1.58 0.94 0.00 -0.34 0.00 0.00 42.92 41.53 2r3f s ASP 256 CO 0.54 -2.51 1.97 -0.08 0.68 0.00 0.00 175.17 175.77 2r3f h GLU 257 N -1.47 0.50 -0.34 2.11 4.57 -1.99 -0.02 114.58 117.95 2r3f h GLU 257 Ca -0.50 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 57.57 2r3f h GLU 257 Cb 1.33 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2r3f h GLU 257 CO 0.62 0.33 -0.09 -0.44 -1.18 0.00 0.00 179.01 178.25 2r3f h ASP 258 N 0.52 0.66 -0.49 1.04 3.32 -1.98 -1.66 116.42 117.83 2r3f h ASP 258 Ca 0.30 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 2r3f h ASP 258 Cb 0.49 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2r3f h ASP 258 CO -0.09 0.88 0.05 1.23 -1.72 0.00 0.00 179.24 179.58 2r3f h GLY 259 N 0.43 0.89 1.36 2.75 0.00 -1.66 -1.78 103.07 105.07 2r3f h GLY 259 Ca 0.08 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 2r3f h GLY 259 CO 0.03 0.57 -0.05 3.21 0.00 0.00 0.00 176.54 180.30 2r3f h ARG 260 N 0.69 0.77 -0.34 4.80 3.08 -1.04 0.53 114.38 122.86 2r3f h ARG 260 Ca 0.14 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2r3f h ARG 260 Cb 0.44 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2r3f h ARG 260 CO 0.02 0.81 0.11 1.03 -1.07 0.00 0.00 179.97 180.86 2r3f h SER 261 N 0.71 0.50 -0.37 7.04 0.87 -1.07 -1.35 113.55 119.88 2r3f h SER 261 Ca 0.13 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2r3f h SER 261 Cb 0.51 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2r3f h SER 261 CO 0.03 0.57 0.03 0.25 -0.53 0.00 0.00 176.83 177.18 2r3f h LEU 262 N 0.40 0.62 -1.15 2.23 5.85 -1.06 -2.68 115.31 119.51 2r3f h LEU 262 Ca 0.11 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.59 2r3f h LEU 262 Cb 0.25 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2r3f h LEU 262 CO -0.00 0.75 0.58 0.25 -0.34 0.00 0.00 178.44 179.68 2r3f h LEU 263 N 0.46 0.92 -0.02 2.25 5.85 -0.81 -0.89 115.31 123.07 2r3f h LEU 263 Ca 0.11 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2r3f h LEU 263 Cb 0.42 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2r3f h LEU 263 CO 0.01 0.61 0.01 -1.28 -0.34 0.00 0.00 178.44 177.46 2r3f h SER 264 N 1.06 0.03 0.18 1.25 0.87 -1.04 -0.58 113.55 115.31 2r3f h SER 264 Ca 0.37 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2r3f h SER 264 Cb 0.11 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2r3f h SER 264 CO -0.13 0.10 -0.08 1.56 -0.53 0.00 0.00 176.83 177.75 2r3f h GLN 265 N -0.04 0.00 0.00 2.24 4.20 -1.11 -0.51 115.11 119.89 2r3f h GLN 265 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2r3f h GLN 265 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2r3f h GLN 265 CO -0.00 0.08 -0.04 0.52 -0.67 0.00 0.00 178.83 178.72 2r3f h MET 266 N 0.00 0.00 -0.33 1.46 2.86 -0.31 -0.90 114.93 117.71 2r3f h MET 266 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2r3f h MET 266 Cb 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2r3f h MET 266 CO 0.01 0.04 0.01 1.28 1.06 0.00 0.00 176.91 179.31 2r3f n LEU 267 N -3.11 4.23 -4.78 1.22 4.77 -0.29 -3.79 117.00 115.25 2r3f n LEU 267 Ca 0.04 -3.09 -0.41 0.00 -0.03 0.00 0.00 56.01 52.52 2r3f n LEU 267 Cb 0.53 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2r3f n LEU 267 CO 0.34 0.73 1.12 -1.00 -1.33 0.00 0.00 177.39 177.25 2r3f s HIS 268 N -2.87 2.63 0.07 -1.77 3.76 -0.65 -4.92 115.29 111.53 2r3f s HIS 268 Ca 0.44 1.19 -0.23 0.00 -0.15 0.00 0.00 55.06 56.32 2r3f s HIS 268 Cb 0.36 -3.99 -0.15 0.00 1.11 0.00 0.00 32.58 29.92 2r3f s HIS 268 CO 0.09 -2.88 1.63 1.88 -0.85 0.00 0.00 174.74 174.61 2r3f h TYR 269 N 3.06 0.06 -3.02 1.40 0.05 -1.91 -3.42 116.97 113.20 2r3f h TYR 269 Ca -0.51 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.70 2r3f h TYR 269 Cb 1.24 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.92 2r3f h TYR 269 CO 0.54 0.16 1.13 0.34 -1.05 0.00 0.00 178.16 179.28 2r3f s ASP 270 N -5.37 6.25 0.57 3.88 -1.08 -1.26 -4.86 116.67 114.80 2r3f s ASP 270 Ca -0.14 1.12 0.27 0.00 -0.52 0.00 0.00 52.55 53.28 2r3f s ASP 270 Cb 0.05 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.52 2r3f s ASP 270 CO 0.67 -1.45 2.06 -0.65 0.52 0.00 0.00 175.17 176.32 2r3f h PRO 271 N 11.20 0.00 0.00 4.34 0.11 -1.96 -0.66 132.00 145.03 2r3f h PRO 271 Ca -0.30 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 2r3f h PRO 271 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2r3f h PRO 271 CO 1.05 0.00 -0.26 -0.97 -0.21 0.00 0.00 178.00 177.61 2r3f h ASN 272 N 0.00 0.00 0.35 -2.05 -1.24 -1.96 -3.21 115.58 107.47 2r3f h ASN 272 Ca 0.13 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 2r3f h ASN 272 Cb 0.63 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 2r3f h ASN 272 CO -0.00 0.26 -1.68 0.29 -1.29 0.00 0.00 177.43 175.01 2r3f n LYS 273 N -3.32 0.64 -1.75 6.67 5.02 -0.35 -4.96 118.16 120.12 2r3f n LYS 273 Ca 0.01 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 2r3f n LYS 273 Cb 0.50 -1.63 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 2r3f n LYS 273 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2r3f n ARG 274 N -2.46 2.54 -1.73 1.97 0.63 -0.64 -4.92 116.66 112.06 2r3f n ARG 274 Ca -0.05 0.89 -0.39 0.00 -0.92 0.00 0.00 57.85 57.38 2r3f n ARG 274 Cb 0.61 -2.60 0.03 0.00 0.45 0.00 0.00 32.46 30.95 2r3f n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2r3f n ILE 275 N 0.85 3.22 -2.23 5.15 3.06 -0.34 -5.00 119.36 124.07 2r3f n ILE 275 Ca 0.04 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.52 2r3f n ILE 275 Cb 0.37 -1.65 0.05 0.00 0.54 0.00 0.00 39.64 38.95 2r3f n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2r3f s SER 276 N -0.72 5.32 0.18 9.51 1.04 -1.26 -4.89 113.70 122.88 2r3f s SER 276 Ca 0.66 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 57.71 2r3f s SER 276 Cb -0.45 -1.58 0.10 0.00 0.10 0.00 0.00 66.02 64.19 2r3f s SER 276 CO 0.53 -1.29 1.75 0.00 0.98 0.00 0.00 173.24 175.22 2r3f h ALA 277 N -0.41 0.83 -0.39 5.32 0.00 -1.93 -0.19 119.26 122.49 2r3f h ALA 277 Ca -0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2r3f h ALA 277 Cb 1.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2r3f h ALA 277 CO 0.61 0.43 0.21 0.87 0.00 0.00 0.00 179.25 181.38 2r3f h LYS 278 N 0.90 0.55 -0.48 0.00 1.57 -1.93 -1.66 116.57 115.52 2r3f h LYS 278 Ca 0.22 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2r3f h LYS 278 Cb 0.17 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2r3f h LYS 278 CO -0.02 0.45 -0.01 0.00 -0.57 0.00 0.00 179.45 179.30 2r3f h ALA 279 N 1.07 1.08 -0.38 3.86 0.00 -1.89 -2.85 119.26 120.16 2r3f h ALA 279 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2r3f h ALA 279 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2r3f h ALA 279 CO -0.02 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.89 2r3f h ALA 280 N 1.24 1.44 0.00 0.00 0.00 -0.58 -2.13 119.26 119.22 2r3f h ALA 280 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2r3f h ALA 280 Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2r3f h ALA 280 CO 0.02 0.41 -0.08 -0.07 0.00 0.00 0.00 179.25 179.53 2r3f h LEU 281 N 0.54 0.00 -0.81 0.00 3.38 -1.07 -1.73 115.31 115.64 2r3f h LEU 281 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2r3f h LEU 281 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2r3f h LEU 281 CO -0.00 0.08 -0.16 0.00 0.09 0.00 0.00 178.44 178.45 2r3f n ALA 282 N -2.26 2.88 -1.76 1.53 0.00 -0.81 -4.85 120.51 115.24 2r3f n ALA 282 Ca -0.02 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.59 2r3f n ALA 282 Cb 0.20 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.57 2r3f n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2r3f s HIS 283 N -2.27 2.52 0.64 0.00 5.04 -0.65 -4.89 115.29 115.68 2r3f s HIS 283 Ca 0.29 1.48 0.37 0.00 -1.54 0.00 0.00 55.06 55.66 2r3f s HIS 283 Cb 0.20 -3.55 2.09 0.00 0.04 0.00 0.00 32.58 31.36 2r3f s HIS 283 CO 0.44 -2.19 2.26 -1.35 -2.34 0.00 0.00 174.74 171.56 2r3f h PRO 284 N 1.47 0.00 -0.14 2.88 0.11 -1.93 -1.03 132.00 133.36 2r3f h PRO 284 Ca -0.50 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2r3f h PRO 284 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2r3f h PRO 284 CO 0.58 0.00 0.16 0.35 -0.21 0.00 0.00 178.00 178.87 2r3f h PHE 285 N 0.00 0.00 -0.42 0.65 3.57 -1.90 -1.27 116.94 117.57 2r3f h PHE 285 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2r3f h PHE 285 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2r3f h PHE 285 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 2r3f n PHE 286 N -3.85 0.55 -0.26 0.41 3.72 -0.39 -4.46 117.46 113.19 2r3f n PHE 286 Ca 0.01 -0.28 0.06 0.00 -0.05 0.00 0.00 57.45 57.19 2r3f n PHE 286 Cb 0.27 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.01 2r3f n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2r3f h GLN 287 N 3.46 0.34 -0.49 -1.08 4.15 -1.38 -2.22 115.11 117.89 2r3f h GLN 287 Ca 0.00 -0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.13 2r3f h GLN 287 Cb 0.77 -0.08 -0.16 0.00 0.21 0.00 0.00 27.48 28.23 2r3f h GLN 287 CO 0.00 0.22 0.02 -0.40 -1.93 0.00 0.00 178.83 176.75 2r3f n ASP 288 N -5.09 2.94 -4.77 -0.69 5.75 -1.26 -5.04 116.55 108.40 2r3f n ASP 288 Ca 0.15 -3.77 -0.38 0.00 -0.01 0.00 0.00 54.79 50.77 2r3f n ASP 288 Cb 0.47 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.88 2r3f n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2r3f s VAL 289 N -3.39 2.84 0.32 2.12 0.11 -0.84 -5.03 120.40 116.53 2r3f s VAL 289 Ca 0.48 0.69 0.06 0.00 -2.93 0.00 0.00 61.98 60.28 2r3f s VAL 289 Cb 0.42 -3.38 -0.02 0.00 -1.53 0.00 0.00 36.38 31.87 2r3f s VAL 289 CO 0.01 0.05 0.21 0.35 -3.33 0.00 0.00 175.10 172.40 2r3f n THR 290 N -0.15 0.00 -3.73 5.04 -2.24 -1.26 -5.10 114.28 106.84 2r3f n THR 290 Ca 0.05 -2.17 -0.28 0.00 -2.27 0.00 0.00 64.05 59.38 2r3f n THR 290 Cb 0.46 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 2r3f n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2r3f s LYS 291 N -3.27 1.91 0.68 -0.78 2.20 -1.26 -4.33 119.74 114.89 2r3f s LYS 291 Ca 0.30 -2.90 -0.14 0.00 -0.36 0.00 0.00 55.97 52.88 2r3f s LYS 291 Cb 0.01 -2.72 0.01 0.00 -1.51 0.00 0.00 37.83 33.62 2r3f s LYS 291 CO 0.21 -1.32 1.11 -2.14 -0.36 0.00 0.00 175.35 172.86 2r3f s PRO 292 N -0.90 2.66 -0.29 4.03 0.02 -1.26 -4.97 135.00 134.30 2r3f s PRO 292 Ca 0.27 1.37 -0.10 0.00 0.02 0.00 0.00 61.00 62.56 2r3f s PRO 292 Cb -0.02 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 2r3f s PRO 292 CO -0.17 -1.36 0.16 0.14 -0.33 0.00 0.00 177.00 175.44 2r3f s VAL 293 N -2.42 4.96 0.75 3.83 -7.23 -1.26 -4.44 120.40 114.59 2r3f s VAL 293 Ca 0.66 -0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.67 2r3f s VAL 293 Cb -0.20 -3.40 0.04 0.00 0.56 0.00 0.00 36.38 33.37 2r3f s VAL 293 CO 0.44 0.21 1.08 -2.16 -0.31 0.00 0.00 175.10 174.36 2r3f s PRO 294 N 1.70 2.51 -0.44 4.82 0.04 -1.26 -5.00 135.00 137.37 2r3f s PRO 294 Ca 0.06 0.79 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 2r3f s PRO 294 Cb -0.16 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2r3f s PRO 294 CO 0.08 -1.36 0.55 -1.58 0.04 0.00 0.00 177.00 174.73 2r3f s HIS 295 N -3.10 3.11 -0.04 0.56 2.46 -1.26 -4.93 115.29 112.08 2r3f s HIS 295 Ca 0.59 -0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.85 2r3f s HIS 295 Cb -0.14 -3.17 -0.03 0.00 -0.13 0.00 0.00 32.58 29.10 2r3f s HIS 295 CO 0.55 -0.82 -0.00 -0.51 -2.47 0.00 0.00 174.74 171.48 2r3f s LEU 296 N 2.48 3.52 -0.53 8.88 1.43 -1.26 -5.08 118.68 128.11 2r3f s LEU 296 Ca 0.17 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2r3f s LEU 296 Cb -0.16 -1.91 0.13 0.00 0.03 0.00 0.00 46.19 44.28 2r3f s LEU 296 CO 0.15 0.33 0.28 -0.13 0.23 0.00 0.00 176.35 177.21 2r3f s ARG 297 N -1.21 2.05 0.00 1.70 1.81 -1.26 -5.13 118.95 116.91 2r3f s ARG 297 Ca 0.16 -2.58 0.27 0.00 -1.72 0.00 0.00 55.73 51.87 2r3f s ARG 297 Cb -0.11 -3.38 0.93 0.00 -0.45 0.00 0.00 34.95 31.93 2r3f s ARG 297 CO 0.06 -1.11 1.68 1.28 -0.68 0.00 0.00 175.30 176.52