#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2a n GLU 2 N 0.00 0.32 0.17 2.12 -0.00 -1.26 -1.43 120.64 120.55 1p2a n GLU 2 Ca 0.00 0.09 0.13 0.00 -0.00 0.00 0.00 57.16 57.38 1p2a n GLU 2 Cb 0.00 -1.50 0.39 0.00 -0.00 0.00 0.00 31.44 30.33 1p2a n GLU 2 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1p2a h ASN 3 N 0.00 0.00 -3.35 -1.84 2.35 -2.01 -3.45 115.58 107.28 1p2a h ASN 3 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 1p2a h ASN 3 Cb 0.15 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.39 1p2a h ASN 3 CO 0.00 0.00 -0.64 -0.36 -1.65 0.00 0.00 177.43 174.78 1p2a s PHE 4 N -3.24 3.07 -0.15 1.19 0.40 -0.52 0.40 117.98 119.14 1p2a s PHE 4 Ca 0.07 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1p2a s PHE 4 Cb 0.09 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.99 1p2a s PHE 4 CO 0.58 0.47 -0.19 -1.14 0.70 0.00 0.00 175.22 175.64 1p2a s GLN 5 N -1.72 2.73 0.44 0.44 0.74 -0.80 -4.90 119.66 116.60 1p2a s GLN 5 Ca 0.21 -0.74 -0.24 0.00 0.05 0.00 0.00 55.36 54.65 1p2a s GLN 5 Cb -0.12 -2.33 -0.08 0.00 1.10 0.00 0.00 33.01 31.59 1p2a s GLN 5 CO 0.12 -0.14 1.16 0.15 -0.55 0.00 0.00 175.29 176.03 1p2a s LYS 6 N 1.15 3.86 -0.08 1.67 3.01 -1.26 -0.35 119.74 127.74 1p2a s LYS 6 Ca -0.00 1.77 -0.01 0.00 -1.01 0.00 0.00 55.97 56.72 1p2a s LYS 6 Cb -0.14 -2.48 -0.05 0.00 -1.01 0.00 0.00 37.83 34.15 1p2a s LYS 6 CO -0.08 -0.47 -0.08 0.28 0.51 0.00 0.00 175.35 175.51 1p2a n VAL 7 N -0.32 0.45 -3.61 3.17 0.31 0.15 -4.86 118.33 113.63 1p2a n VAL 7 Ca 0.06 -0.15 -0.04 0.00 -0.01 0.00 0.00 64.34 64.20 1p2a n VAL 7 Cb 0.48 -1.09 -0.02 0.00 -0.91 0.00 0.00 33.84 32.30 1p2a n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1p2a s GLU 8 N -2.16 0.25 0.16 5.55 -1.05 -1.16 -4.98 118.70 115.32 1p2a s GLU 8 Ca -0.11 -0.07 -0.30 0.00 -0.15 0.00 0.00 54.97 54.34 1p2a s GLU 8 Cb 0.03 0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 33.77 1p2a s GLU 8 CO 0.17 -0.10 0.95 0.15 0.95 0.00 0.00 175.26 177.37 1p2a s LYS 9 N -2.12 4.76 0.00 -4.83 1.02 -1.26 -0.25 119.74 117.06 1p2a s LYS 9 Ca 0.09 1.46 0.00 0.00 0.02 0.00 0.00 55.97 57.54 1p2a s LYS 9 Cb -0.01 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1p2a s LYS 9 CO -0.04 0.34 0.20 0.44 -0.92 0.00 0.00 175.35 175.36 1p2a n ILE 10 N 2.27 0.00 -3.61 2.17 -5.35 0.48 -4.87 119.36 110.45 1p2a n ILE 10 Ca 0.00 -0.29 -0.12 0.00 -0.27 0.00 0.00 62.75 62.08 1p2a n ILE 10 Cb 0.48 1.29 -0.06 0.00 -1.74 0.00 0.00 39.64 39.61 1p2a n ILE 10 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1p2a s GLY 11 N -0.18 -0.30 -0.11 3.28 0.00 -0.98 -4.97 107.32 104.06 1p2a s GLY 11 Ca 0.00 2.24 -0.03 0.00 0.00 0.00 0.00 44.72 46.93 1p2a s GLY 11 CO 0.00 1.53 0.07 1.85 0.00 0.00 0.00 173.10 176.55 1p2a s GLU 12 N -0.22 0.04 0.13 2.90 2.12 -1.26 -0.69 118.70 121.71 1p2a s GLU 12 Ca -0.00 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.45 1p2a s GLU 12 Cb -0.03 -1.22 0.00 0.00 0.26 0.00 0.00 34.13 33.14 1p2a s GLU 12 CO -0.01 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 1p2a n GLY 16 N 5.28 0.00 3.91 -1.50 0.00 -1.26 -4.90 105.19 106.72 1p2a n GLY 16 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1p2a n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p2a s VAL 17 N -0.52 4.97 -0.09 1.61 1.01 -1.02 -4.85 120.40 121.51 1p2a s VAL 17 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1p2a s VAL 17 Cb 0.00 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1p2a s VAL 17 CO 0.00 -0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 173.70 1p2a s VAL 18 N -2.36 1.52 0.20 2.92 1.01 0.13 -0.48 120.40 123.34 1p2a s VAL 18 Ca 0.45 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.85 1p2a s VAL 18 Cb -0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1p2a s VAL 18 CO 0.35 0.44 -0.24 -0.31 0.00 0.00 0.00 175.10 175.35 1p2a s TYR 19 N 0.64 2.30 -0.28 5.22 2.02 0.74 -0.38 117.35 127.60 1p2a s TYR 19 Ca -0.14 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.01 1p2a s TYR 19 Cb -0.16 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1p2a s TYR 19 CO 0.04 0.52 0.56 0.21 -1.57 0.00 0.00 175.55 175.30 1p2a s LYS 20 N -2.74 3.98 0.28 -0.62 2.20 0.66 0.74 119.74 124.24 1p2a s LYS 20 Ca 0.21 0.28 0.09 0.00 -0.36 0.00 0.00 55.97 56.20 1p2a s LYS 20 Cb -0.08 -3.69 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 1p2a s LYS 20 CO 0.10 -0.45 -0.12 0.00 -0.36 0.00 0.00 175.35 174.53 1p2a s ALA 21 N 2.42 2.49 -0.23 3.13 0.00 0.59 0.34 121.76 130.49 1p2a s ALA 21 Ca 0.22 -1.88 0.02 0.00 0.00 0.00 0.00 51.96 50.32 1p2a s ALA 21 Cb -0.15 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1p2a s ALA 21 CO 0.10 0.07 -0.12 0.50 0.00 0.00 0.00 175.76 176.31 1p2a s ARG 22 N -3.63 2.27 -0.53 0.00 6.06 0.52 -0.54 118.95 123.11 1p2a s ARG 22 Ca 0.29 -1.13 -0.27 0.00 -2.50 0.00 0.00 55.73 52.12 1p2a s ARG 22 Cb 0.00 -2.72 -0.04 0.00 0.06 0.00 0.00 34.95 32.25 1p2a s ARG 22 CO 0.12 -0.48 2.06 1.21 -2.50 0.00 0.00 175.30 175.71 1p2a s ASN 23 N 1.21 5.05 0.56 -2.12 3.84 0.06 -1.90 114.94 121.65 1p2a s ASN 23 Ca -0.05 0.75 0.47 0.00 0.21 0.00 0.00 52.86 54.25 1p2a s ASN 23 Cb -0.18 -2.52 1.66 0.00 -0.55 0.00 0.00 41.25 39.66 1p2a s ASN 23 CO -0.07 -2.47 1.58 0.11 -2.79 0.00 0.00 177.10 173.46 1p2a h LYS 24 N 16.37 0.00 0.00 0.43 1.57 -0.38 0.71 116.57 135.27 1p2a h LYS 24 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1p2a h LYS 24 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1p2a h LYS 24 CO 1.17 0.00 -0.14 1.28 -0.57 0.00 0.00 179.45 181.19 1p2a n LEU 25 N -3.91 0.35 0.28 2.94 4.77 -1.26 -4.44 117.00 115.73 1p2a n LEU 25 Ca 0.40 0.19 0.18 0.00 -0.03 0.00 0.00 56.01 56.76 1p2a n LEU 25 Cb 1.88 -0.56 0.95 0.00 -2.33 0.00 0.00 43.42 43.37 1p2a n LEU 25 CO 0.43 -0.48 1.15 0.71 -1.33 0.00 0.00 177.39 177.87 1p2a h THR 26 N -0.18 0.21 0.00 -5.08 1.35 -1.90 -3.44 112.91 103.86 1p2a h THR 26 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1p2a h THR 26 Cb 0.14 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1p2a h THR 26 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1p2a n GLY 27 N -1.26 0.29 3.83 5.82 0.00 0.25 -4.99 105.19 109.13 1p2a n GLY 27 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1p2a n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p2a s GLU 28 N -0.86 4.11 -0.15 1.61 2.56 -1.25 -4.77 118.70 119.95 1p2a s GLU 28 Ca 0.00 0.74 -0.09 0.00 0.00 0.00 0.00 54.97 55.62 1p2a s GLU 28 Cb 0.00 -2.66 -0.04 0.00 2.00 0.00 0.00 34.13 33.42 1p2a s GLU 28 CO 0.00 0.28 0.16 0.14 -0.56 0.00 0.00 175.26 175.28 1p2a s VAL 29 N -1.75 5.43 0.20 3.70 -7.23 -1.26 -0.76 120.40 118.74 1p2a s VAL 29 Ca 0.48 0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.95 1p2a s VAL 29 Cb -0.13 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 1p2a s VAL 29 CO 0.19 0.53 0.19 1.33 -0.31 0.00 0.00 175.10 177.03 1p2a n VAL 30 N 2.66 0.00 -4.68 1.32 0.24 0.30 -4.39 118.33 113.78 1p2a n VAL 30 Ca -0.18 -1.43 -0.33 0.00 -2.04 0.00 0.00 64.34 60.36 1p2a n VAL 30 Cb 0.54 0.73 -0.15 0.00 -1.47 0.00 0.00 33.84 33.48 1p2a n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p2a s ALA 31 N -2.76 2.51 -0.20 2.33 0.00 -0.60 -0.30 121.76 122.73 1p2a s ALA 31 Ca 0.23 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1p2a s ALA 31 Cb 0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1p2a s ALA 31 CO 0.17 0.09 0.02 -0.51 0.00 0.00 0.00 175.76 175.53 1p2a s LEU 32 N 0.62 3.41 -0.29 0.00 1.43 0.23 -0.69 118.68 123.38 1p2a s LEU 32 Ca -0.09 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1p2a s LEU 32 Cb -0.16 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1p2a s LEU 32 CO 0.03 0.09 0.14 -0.75 0.23 0.00 0.00 176.35 176.09 1p2a s LYS 33 N 0.85 3.54 -0.33 1.70 2.20 0.32 -0.18 119.74 127.84 1p2a s LYS 33 Ca 0.02 -0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 54.90 1p2a s LYS 33 Cb -0.14 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1p2a s LYS 33 CO 0.02 -0.32 0.34 0.21 -0.36 0.00 0.00 175.35 175.25 1p2a s LYS 34 N 1.65 3.61 -0.03 4.03 2.20 0.37 -0.75 119.74 130.82 1p2a s LYS 34 Ca 0.06 -0.40 0.07 0.00 -0.36 0.00 0.00 55.97 55.34 1p2a s LYS 34 Cb -0.16 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1p2a s LYS 34 CO 0.07 -0.48 -0.25 0.42 -0.36 0.00 0.00 175.35 174.75 1p2a s ILE 35 N 1.98 2.00 0.00 5.43 1.01 0.29 -2.44 121.20 129.47 1p2a s ILE 35 Ca 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1p2a s ILE 35 Cb -0.17 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1p2a s ILE 35 CO 0.11 0.56 0.00 0.54 0.00 0.00 0.00 174.94 176.16 1p2a n ARG 36 N 2.60 0.00 -1.99 2.79 1.74 -1.26 -1.53 116.66 119.01 1p2a n ARG 36 Ca -0.16 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.62 1p2a n ARG 36 Cb 0.51 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.91 1p2a n ARG 36 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1p2a s LEU 37 N -0.58 3.19 -0.57 0.55 2.34 -1.26 -4.96 118.68 117.38 1p2a s LEU 37 Ca 0.00 -0.27 0.06 0.00 0.06 0.00 0.00 54.13 53.98 1p2a s LEU 37 Cb 0.00 -2.55 0.23 0.00 -0.56 0.00 0.00 46.19 43.31 1p2a s LEU 37 CO 0.00 -2.73 0.61 0.00 -1.06 0.00 0.00 176.35 173.17 1p2a n ALA 48 N 14.06 3.44 -3.71 1.48 0.00 -1.26 -5.14 120.51 129.38 1p2a n ALA 48 Ca 0.35 -4.24 -0.15 0.00 0.00 0.00 0.00 53.44 49.40 1p2a n ALA 48 Cb 0.48 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 18.90 1p2a n ALA 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1p2a s ILE 49 N -1.74 -0.16 -0.06 0.00 1.10 -1.26 -4.99 121.20 114.09 1p2a s ILE 49 Ca 0.35 0.26 0.00 0.00 -0.51 0.00 0.00 60.65 60.76 1p2a s ILE 49 Cb 0.11 -0.29 0.09 0.00 0.15 0.00 0.00 42.46 42.52 1p2a s ILE 49 CO -0.08 0.11 1.20 0.54 -2.11 0.00 0.00 174.94 174.60 1p2a n ARG 50 N 4.75 1.17 0.30 3.50 3.00 -1.26 -3.80 116.66 124.32 1p2a n ARG 50 Ca -0.16 -0.40 0.18 0.00 -0.01 0.00 0.00 57.85 57.46 1p2a n ARG 50 Cb 0.51 -1.16 1.01 0.00 0.00 0.00 0.00 32.46 32.82 1p2a n ARG 50 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1p2a h GLU 51 N 0.22 0.00 -0.06 5.56 4.81 -2.01 0.53 114.58 123.63 1p2a h GLU 51 Ca 0.08 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1p2a h GLU 51 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1p2a h GLU 51 CO 0.15 0.00 -0.72 0.82 -0.73 0.00 0.00 179.01 178.53 1p2a h ILE 52 N 0.00 1.40 -0.21 2.32 2.04 -2.00 -2.82 117.51 118.25 1p2a h ILE 52 Ca 0.01 -2.18 -0.03 0.00 1.00 0.00 0.00 64.86 63.66 1p2a h ILE 52 Cb 0.10 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1p2a h ILE 52 CO -0.00 0.65 -0.01 0.77 0.00 0.00 0.00 178.15 179.55 1p2a h SER 53 N 0.22 0.28 0.04 1.72 4.64 -0.24 -1.40 113.55 118.80 1p2a h SER 53 Ca -0.03 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.07 1p2a h SER 53 Cb 1.28 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1p2a h SER 53 CO 0.12 0.34 -0.75 0.25 -0.87 0.00 0.00 176.83 175.92 1p2a h LEU 54 N 0.30 0.59 -1.65 5.97 5.85 -1.47 -3.11 115.31 121.79 1p2a h LEU 54 Ca 0.07 -0.80 0.20 0.00 0.84 0.00 0.00 57.88 58.19 1p2a h LEU 54 Cb 0.23 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1p2a h LEU 54 CO 0.01 1.32 0.57 -0.07 -0.34 0.00 0.00 178.44 179.93 1p2a h LEU 55 N -0.07 0.29 -1.10 2.25 3.38 -1.17 0.15 115.31 119.04 1p2a h LEU 55 Ca -0.10 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1p2a h LEU 55 Cb 1.47 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 1p2a h LEU 55 CO 0.15 0.12 0.61 0.50 0.09 0.00 0.00 178.44 179.91 1p2a h LYS 56 N 0.30 1.16 0.00 1.13 3.11 -1.19 -1.61 116.57 119.46 1p2a h LYS 56 Ca 0.43 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.20 1p2a h LYS 56 Cb 1.20 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1p2a h LYS 56 CO -0.12 0.77 -0.26 0.39 -2.81 0.00 0.00 179.45 177.42 1p2a n GLU 57 N -4.42 0.13 -1.99 1.90 -0.58 0.45 -4.60 120.64 111.54 1p2a n GLU 57 Ca 0.11 0.07 -0.34 0.00 -0.42 0.00 0.00 57.16 56.59 1p2a n GLU 57 Cb 0.06 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.26 1p2a n GLU 57 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1p2a n LEU 58 N -1.83 3.70 -4.63 -4.62 7.94 -0.61 -4.93 117.00 112.03 1p2a n LEU 58 Ca 0.05 -3.29 -0.34 0.00 -1.11 0.00 0.00 56.01 51.32 1p2a n LEU 58 Cb 0.39 -1.63 -0.10 0.00 0.53 0.00 0.00 43.42 42.60 1p2a n LEU 58 CO 0.32 -1.14 -0.27 0.20 -1.11 0.00 0.00 177.39 175.39 1p2a s ASN 59 N 5.72 5.45 -0.21 1.96 0.02 -1.26 -4.94 114.94 121.68 1p2a s ASN 59 Ca 0.63 0.07 -0.21 0.00 -1.02 0.00 0.00 52.86 52.33 1p2a s ASN 59 Cb 0.03 -1.87 0.06 0.00 0.02 0.00 0.00 41.25 39.49 1p2a s ASN 59 CO 0.12 0.21 0.60 -2.28 0.02 0.00 0.00 177.10 175.77 1p2a s HIS 60 N 0.13 -0.65 0.63 2.20 2.46 -1.26 -5.05 115.29 113.75 1p2a s HIS 60 Ca 0.03 1.54 0.28 0.00 0.47 0.00 0.00 55.06 57.38 1p2a s HIS 60 Cb -0.13 0.24 1.45 0.00 -0.13 0.00 0.00 32.58 34.01 1p2a s HIS 60 CO 0.01 -0.34 1.84 -1.00 -2.47 0.00 0.00 174.74 172.78 1p2a h PRO 61 N 4.99 0.00 -0.48 2.88 0.13 -2.00 -0.13 132.00 137.39 1p2a h PRO 61 Ca -0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1p2a h PRO 61 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1p2a h PRO 61 CO 0.15 0.00 0.10 0.09 -0.23 0.00 0.00 178.00 178.11 1p2a n ASN 62 N -3.22 3.83 -3.82 1.44 4.13 -1.26 -4.90 115.26 111.47 1p2a n ASN 62 Ca 0.03 -3.32 -0.22 0.00 1.68 0.00 0.00 54.58 52.75 1p2a n ASN 62 Cb 0.57 -0.65 -0.17 0.00 -1.54 0.00 0.00 39.78 37.98 1p2a n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1p2a s ILE 63 N -3.02 0.45 0.07 2.41 1.01 -0.06 -1.63 121.20 120.44 1p2a s ILE 63 Ca 0.48 0.03 -0.34 0.00 0.00 0.00 0.00 60.65 60.81 1p2a s ILE 63 Cb 0.40 -0.56 -0.13 0.00 0.01 0.00 0.00 42.46 42.17 1p2a s ILE 63 CO 0.08 0.25 1.66 0.52 0.00 0.00 0.00 174.94 177.45 1p2a n VAL 64 N 4.78 0.18 -2.55 2.92 0.31 -0.27 -4.54 118.33 119.16 1p2a n VAL 64 Ca -0.13 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.75 1p2a n VAL 64 Cb 0.50 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.80 1p2a n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1p2a s LYS 65 N 1.89 4.58 -0.40 5.55 2.20 -1.26 -4.85 119.74 127.44 1p2a s LYS 65 Ca 0.84 1.66 -0.23 0.00 -0.36 0.00 0.00 55.97 57.87 1p2a s LYS 65 Cb -0.71 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.31 1p2a s LYS 65 CO 0.43 0.02 0.79 -1.17 -0.36 0.00 0.00 175.35 175.06 1p2a s LEU 66 N 0.08 4.17 -0.12 5.43 2.96 -1.26 -0.15 118.68 129.79 1p2a s LEU 66 Ca 0.51 0.16 -0.26 0.00 -0.22 0.00 0.00 54.13 54.31 1p2a s LEU 66 Cb -0.28 -3.01 -0.23 0.00 0.50 0.00 0.00 46.19 43.18 1p2a s LEU 66 CO 0.32 -0.82 0.79 -0.07 -1.32 0.00 0.00 176.35 175.26 1p2a h LEU 67 N 9.93 -0.01 -8.17 -0.68 4.07 0.12 -3.47 115.31 117.10 1p2a h LEU 67 Ca -0.25 -0.84 -0.07 0.00 0.08 0.00 0.00 57.88 56.81 1p2a h LEU 67 Cb 1.09 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.73 1p2a h LEU 67 CO 0.94 0.87 -0.15 -1.81 -1.08 0.00 0.00 178.44 177.20 1p2a s ASP 68 N -6.07 -0.08 -0.17 -0.43 1.01 -0.83 -4.99 116.67 105.10 1p2a s ASP 68 Ca -0.17 -0.89 -0.02 0.00 0.71 0.00 0.00 52.55 52.18 1p2a s ASP 68 Cb -0.02 0.56 0.05 0.00 1.01 0.00 0.00 42.92 44.52 1p2a s ASP 68 CO 0.63 -1.08 0.01 -0.69 0.21 0.00 0.00 175.17 174.25 1p2a s VAL 69 N -4.00 0.69 -0.39 -1.27 1.01 -1.26 -0.79 120.40 114.38 1p2a s VAL 69 Ca 0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1p2a s VAL 69 Cb 0.00 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.40 1p2a s VAL 69 CO 0.07 -0.07 0.19 -0.63 0.00 0.00 0.00 175.10 174.65 1p2a s ILE 70 N 1.79 3.59 -0.38 2.22 1.01 0.21 -5.00 121.20 124.65 1p2a s ILE 70 Ca -0.00 -1.68 -0.13 0.00 0.00 0.00 0.00 60.65 58.84 1p2a s ILE 70 Cb -0.16 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1p2a s ILE 70 CO -0.07 -0.51 0.26 -2.28 0.00 0.00 0.00 174.94 172.33 1p2a s HIS 71 N 1.27 3.23 -0.05 3.97 2.46 -1.26 -1.64 115.29 123.27 1p2a s HIS 71 Ca 0.04 -0.55 -0.12 0.00 0.47 0.00 0.00 55.06 54.90 1p2a s HIS 71 Cb -0.22 -2.52 0.02 0.00 -0.13 0.00 0.00 32.58 29.73 1p2a s HIS 71 CO -0.01 -0.53 0.28 0.99 -2.47 0.00 0.00 174.74 173.00 1p2a s THR 72 N 1.67 0.04 0.00 0.89 2.01 -1.14 -5.06 115.64 114.04 1p2a s THR 72 Ca 0.05 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1p2a s THR 72 Cb -0.18 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1p2a s THR 72 CO 0.09 -0.17 0.00 -0.62 -0.69 0.00 0.00 174.62 173.23 1p2a n GLU 73 N 1.99 0.00 -1.42 4.92 -0.58 -1.26 -1.91 120.64 122.39 1p2a n GLU 73 Ca -0.18 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.32 1p2a n GLU 73 Cb 0.57 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.54 1p2a n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1p2a n ASN 74 N 3.07 5.30 -4.12 1.62 5.03 -1.26 -4.98 115.26 119.93 1p2a n ASN 74 Ca 0.00 -3.76 -0.08 0.00 0.87 0.00 0.00 54.58 51.61 1p2a n ASN 74 Cb 0.00 -0.70 -0.10 0.00 -1.02 0.00 0.00 39.78 37.96 1p2a n ASN 74 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1p2a s LYS 75 N -3.58 0.71 -0.15 3.52 1.02 -0.80 -4.82 119.74 115.64 1p2a s LYS 75 Ca 0.55 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 1p2a s LYS 75 Cb 0.45 0.15 0.05 0.00 -0.52 0.00 0.00 37.83 37.96 1p2a s LYS 75 CO 0.02 -0.13 0.04 -1.17 -0.92 0.00 0.00 175.35 173.19 1p2a s LEU 76 N -2.97 0.85 -0.15 3.17 2.96 -0.58 -2.88 118.68 119.07 1p2a s LEU 76 Ca 0.11 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1p2a s LEU 76 Cb 0.08 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 1p2a s LEU 76 CO -0.07 -0.28 0.01 -0.31 -1.32 0.00 0.00 176.35 174.37 1p2a s TYR 77 N 1.95 3.13 -0.20 5.38 2.02 -0.65 -0.55 117.35 128.43 1p2a s TYR 77 Ca 0.01 -0.08 -0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1p2a s TYR 77 Cb -0.15 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 1p2a s TYR 77 CO -0.07 0.11 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.44 1p2a s LEU 78 N 0.17 2.79 -0.26 -1.29 1.43 0.07 -0.62 118.68 120.97 1p2a s LEU 78 Ca 0.01 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1p2a s LEU 78 Cb -0.13 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1p2a s LEU 78 CO 0.02 0.02 0.34 -0.69 0.23 0.00 0.00 176.35 176.27 1p2a s VAL 79 N 1.23 5.20 0.35 -1.59 1.01 0.03 -0.52 120.40 126.10 1p2a s VAL 79 Ca 0.03 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1p2a s VAL 79 Cb -0.14 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1p2a s VAL 79 CO -0.03 0.18 -0.06 -0.36 0.00 0.00 0.00 175.10 174.83 1p2a s PHE 80 N 1.94 2.36 0.50 5.22 0.08 0.13 0.16 117.98 128.36 1p2a s PHE 80 Ca 0.14 -0.58 -0.22 0.00 0.12 0.00 0.00 56.93 56.39 1p2a s PHE 80 Cb -0.16 -1.43 -0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1p2a s PHE 80 CO 0.10 0.50 1.18 -2.00 -0.10 0.00 0.00 175.22 174.90 1p2a s GLU 81 N -3.66 3.53 -0.18 0.44 2.12 0.78 -1.56 118.70 120.17 1p2a s GLU 81 Ca 0.33 1.80 -0.02 0.00 0.36 0.00 0.00 54.97 57.44 1p2a s GLU 81 Cb 0.05 -2.26 -0.01 0.00 0.26 0.00 0.00 34.13 32.17 1p2a s GLU 81 CO 0.16 -0.75 -0.10 0.12 -0.54 0.00 0.00 175.26 174.16 1p2a s PHE 82 N -1.57 2.88 0.14 5.30 2.19 -1.26 -4.43 117.98 121.23 1p2a s PHE 82 Ca 0.68 -0.93 0.05 0.00 0.33 0.00 0.00 56.93 57.06 1p2a s PHE 82 Cb -0.29 -1.99 -0.04 0.00 -1.31 0.00 0.00 43.02 39.39 1p2a s PHE 82 CO 0.34 -0.46 0.09 -0.51 1.83 0.00 0.00 175.22 176.52 1p2a s LEU 83 N 1.04 3.71 0.29 6.12 1.02 -1.26 -5.00 118.68 124.60 1p2a s LEU 83 Ca -0.00 -0.15 0.16 0.00 0.02 0.00 0.00 54.13 54.16 1p2a s LEU 83 Cb -0.15 -2.35 0.18 0.00 0.02 0.00 0.00 46.19 43.90 1p2a s LEU 83 CO -0.02 0.10 1.50 0.45 0.02 0.00 0.00 176.35 178.40 1p2a h HIS 84 N 2.71 0.00 -3.20 0.29 3.86 -1.99 -3.47 115.15 113.34 1p2a h HIS 84 Ca -0.47 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.58 1p2a h HIS 84 Cb 1.19 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.42 1p2a h HIS 84 CO 0.59 0.49 -0.43 -1.14 0.86 0.00 0.00 177.93 178.31 1p2a s GLN 85 N -3.07 0.37 0.31 2.45 0.74 -1.20 -5.04 119.66 114.22 1p2a s GLN 85 Ca 0.03 0.13 -0.01 0.00 0.05 0.00 0.00 55.36 55.56 1p2a s GLN 85 Cb 0.08 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 1p2a s GLN 85 CO 0.73 -0.07 0.52 0.16 -0.55 0.00 0.00 175.29 176.09 1p2a s ASP 86 N -0.34 6.34 0.54 6.67 1.47 -1.26 0.38 116.67 130.47 1p2a s ASP 86 Ca -0.04 0.49 0.22 0.00 1.18 0.00 0.00 52.55 54.40 1p2a s ASP 86 Cb -0.03 -2.05 1.48 0.00 -0.34 0.00 0.00 42.92 41.98 1p2a s ASP 86 CO 0.01 -0.23 2.18 0.25 0.68 0.00 0.00 175.17 178.06 1p2a h LEU 87 N 1.16 0.00 0.24 2.11 5.85 -0.56 -2.41 115.31 121.70 1p2a h LEU 87 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1p2a h LEU 87 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1p2a h LEU 87 CO 0.63 0.02 -0.11 0.50 -0.34 0.00 0.00 178.44 179.14 1p2a h LYS 88 N 0.00 -0.31 -0.60 1.25 3.64 -1.83 -0.58 116.57 118.14 1p2a h LYS 88 Ca -0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1p2a h LYS 88 Cb 0.04 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1p2a h LYS 88 CO 0.00 -0.01 0.40 -0.22 -2.27 0.00 0.00 179.45 177.35 1p2a h LYS 89 N -0.61 0.67 -0.22 1.90 3.64 -1.83 -0.93 116.57 119.20 1p2a h LYS 89 Ca -0.03 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1p2a h LYS 89 Cb 0.44 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1p2a h LYS 89 CO 0.05 0.44 -0.42 0.35 -2.27 0.00 0.00 179.45 177.61 1p2a h PHE 90 N 0.69 0.61 -0.46 1.91 3.57 -1.29 -2.20 116.94 119.77 1p2a h PHE 90 Ca 0.24 -0.18 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1p2a h PHE 90 Cb 0.11 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1p2a h PHE 90 CO -0.00 0.85 -0.08 0.52 -2.23 0.00 0.00 178.31 177.37 1p2a h MET 91 N 0.42 0.87 -0.08 1.11 2.86 0.24 -2.16 114.93 118.20 1p2a h MET 91 Ca 0.03 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.26 1p2a h MET 91 Cb 0.91 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1p2a h MET 91 CO 0.08 0.96 -0.42 -0.44 1.06 0.00 0.00 176.91 178.15 1p2a h ASP 92 N 0.71 0.18 0.92 1.22 3.32 -1.31 0.46 116.42 121.92 1p2a h ASP 92 Ca 0.12 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1p2a h ASP 92 Cb 0.61 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1p2a h ASP 92 CO 0.04 0.58 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 1p2a n ALA 93 N -2.47 1.85 0.30 3.45 0.00 -0.84 -2.38 120.51 120.42 1p2a n ALA 93 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1p2a n ALA 93 Cb 0.47 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.57 1p2a n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1p2a n SER 94 N -2.16 1.92 -0.34 0.00 7.64 -0.69 -4.77 113.62 115.22 1p2a n SER 94 Ca 0.03 -1.48 0.10 0.00 1.01 0.00 0.00 58.87 58.53 1p2a n SER 94 Cb 0.28 -0.03 0.21 0.00 -1.01 0.00 0.00 64.21 63.66 1p2a n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p2a h ALA 95 N 1.77 0.90 0.12 -0.43 0.00 -0.56 2.60 119.26 123.66 1p2a h ALA 95 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.97 1p2a h ALA 95 Cb 0.43 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1p2a h ALA 95 CO 0.00 -0.48 -1.42 -0.07 0.00 0.00 0.00 179.25 177.28 1p2a h LEU 96 N 0.01 0.41 0.07 0.00 3.38 -1.86 -3.37 115.31 113.95 1p2a h LEU 96 Ca 0.52 -0.51 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1p2a h LEU 96 Cb 0.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1p2a h LEU 96 CO -0.94 1.41 -0.78 0.00 0.09 0.00 0.00 178.44 178.22 1p2a h THR 97 N 0.07 1.39 0.00 0.22 1.03 -1.69 -3.51 112.91 110.43 1p2a h THR 97 Ca -0.20 -2.39 0.00 0.00 -0.01 0.00 0.00 66.41 63.80 1p2a h THR 97 Cb 2.00 3.00 0.00 0.00 -1.07 0.00 0.00 68.15 72.08 1p2a h THR 97 CO 0.18 0.62 0.00 0.61 -0.01 0.00 0.00 175.52 176.92 1p2a n GLY 98 N 1.63 0.65 3.68 2.99 0.00 0.87 -4.93 105.19 110.09 1p2a n GLY 98 Ca -0.18 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1p2a n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p2a s ILE 99 N -0.38 2.95 0.36 -0.61 1.01 -1.26 -4.92 121.20 118.35 1p2a s ILE 99 Ca 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 1p2a s ILE 99 Cb 0.00 -3.21 -0.11 0.00 0.01 0.00 0.00 42.46 39.14 1p2a s ILE 99 CO 0.00 -0.01 1.44 -0.81 0.00 0.00 0.00 174.94 175.56 1p2a n PRO 100 N 5.98 2.52 -0.29 2.79 -0.04 -1.26 -4.74 135.00 139.96 1p2a n PRO 100 Ca 0.17 0.89 0.09 0.00 -0.04 0.00 0.00 63.50 64.60 1p2a n PRO 100 Cb 0.40 -2.58 0.24 0.00 -0.04 0.00 0.00 33.50 31.53 1p2a n PRO 100 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1p2a h LEU 101 N 2.99 0.40 -1.20 1.53 5.85 -1.98 0.08 115.31 122.97 1p2a h LEU 101 Ca -0.49 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1p2a h LEU 101 Cb 1.25 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1p2a h LEU 101 CO 0.65 0.12 0.55 -0.65 -0.34 0.00 0.00 178.44 178.77 1p2a h PRO 102 N 0.51 0.98 -0.22 5.25 0.11 -1.98 0.41 132.00 137.05 1p2a h PRO 102 Ca 0.48 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.36 1p2a h PRO 102 Cb 0.78 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1p2a h PRO 102 CO -0.43 0.65 -0.57 1.25 -0.21 0.00 0.00 178.00 178.68 1p2a h LEU 103 N 1.01 0.78 0.10 2.35 5.85 -1.42 -1.32 115.31 122.67 1p2a h LEU 103 Ca 0.35 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1p2a h LEU 103 Cb 0.11 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1p2a h LEU 103 CO -0.11 1.19 -0.05 0.40 -0.34 0.00 0.00 178.44 179.53 1p2a h ILE 104 N 0.53 0.95 -0.07 4.05 2.04 -0.01 -1.29 117.51 123.72 1p2a h ILE 104 Ca 0.00 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1p2a h ILE 104 Cb 1.15 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 1p2a h ILE 104 CO 0.12 0.05 -0.15 0.50 0.00 0.00 0.00 178.15 178.66 1p2a h LYS 105 N -0.23 -0.21 -0.17 2.37 3.64 -0.15 0.19 116.57 122.01 1p2a h LYS 105 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1p2a h LYS 105 Cb 0.19 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1p2a h LYS 105 CO 0.02 -0.14 -0.19 1.03 -2.27 0.00 0.00 179.45 177.90 1p2a h SER 106 N -0.22 -0.60 -0.13 4.20 0.87 -1.14 0.49 113.55 117.01 1p2a h SER 106 Ca 0.07 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1p2a h SER 106 Cb 0.32 0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 1p2a h SER 106 CO -0.20 -0.24 -0.16 1.88 -0.53 0.00 0.00 176.83 177.58 1p2a h TYR 107 N -0.22 -0.42 -0.27 2.24 0.05 -0.82 0.12 116.97 117.64 1p2a h TYR 107 Ca 0.11 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.98 1p2a h TYR 107 Cb 0.39 0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.27 1p2a h TYR 107 CO -0.32 -0.24 -0.13 1.25 -1.05 0.00 0.00 178.16 177.67 1p2a h LEU 108 N -0.21 -0.45 -0.55 3.88 5.85 -0.46 -1.13 115.31 122.24 1p2a h LEU 108 Ca 0.10 0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1p2a h LEU 108 Cb 0.35 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1p2a h LEU 108 CO -0.25 -0.17 0.21 0.15 -0.34 0.00 0.00 178.44 178.04 1p2a h PHE 109 N -0.10 0.37 -0.39 1.25 3.57 -0.32 -0.80 116.94 120.52 1p2a h PHE 109 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1p2a h PHE 109 Cb 0.32 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1p2a h PHE 109 CO -0.32 0.12 0.05 1.96 -2.23 0.00 0.00 178.31 177.89 1p2a h GLN 110 N 0.40 0.66 -0.72 1.11 4.20 -0.07 -1.98 115.11 118.72 1p2a h GLN 110 Ca 0.26 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1p2a h GLN 110 Cb 0.28 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1p2a h GLN 110 CO -0.26 0.72 0.33 -0.07 -0.67 0.00 0.00 178.83 178.88 1p2a h LEU 111 N 0.50 0.95 -2.02 1.46 4.07 -0.96 -0.75 115.31 118.57 1p2a h LEU 111 Ca 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1p2a h LEU 111 Cb 0.38 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 1p2a h LEU 111 CO 0.01 0.83 -0.09 -0.07 -1.08 0.00 0.00 178.44 178.04 1p2a h LEU 112 N 1.01 0.00 -0.12 1.67 3.38 -0.98 -0.13 115.31 120.14 1p2a h LEU 112 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1p2a h LEU 112 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1p2a h LEU 112 CO -0.03 0.09 -0.30 1.56 0.09 0.00 0.00 178.44 179.85 1p2a h GLN 113 N 0.00 0.41 -0.52 1.13 4.20 -0.38 -1.04 115.11 118.91 1p2a h GLN 113 Ca -0.00 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1p2a h GLN 113 Cb 0.20 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1p2a h GLN 113 CO 0.01 0.90 0.22 0.78 -0.67 0.00 0.00 178.83 180.06 1p2a h GLY 114 N -0.01 0.83 0.88 3.46 0.00 -0.62 -1.53 103.07 106.08 1p2a h GLY 114 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1p2a h GLY 114 CO 0.06 0.42 0.07 1.41 0.00 0.00 0.00 176.54 178.50 1p2a h LEU 115 N 0.70 0.37 -1.36 3.11 4.07 -1.08 -1.39 115.31 119.72 1p2a h LEU 115 Ca 0.17 -0.22 0.08 0.00 0.08 0.00 0.00 57.88 58.00 1p2a h LEU 115 Cb 0.18 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.78 1p2a h LEU 115 CO -0.02 0.49 0.50 0.00 -1.08 0.00 0.00 178.44 178.33 1p2a h ALA 116 N 0.89 1.73 0.63 1.53 0.00 -1.05 0.15 119.26 123.15 1p2a h ALA 116 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1p2a h ALA 116 Cb 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p2a h ALA 116 CO -0.00 0.13 -0.30 0.35 0.00 0.00 0.00 179.25 179.43 1p2a h PHE 117 N 0.75 -0.78 0.00 0.00 3.57 -0.69 -2.32 116.94 117.47 1p2a h PHE 117 Ca 0.34 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1p2a h PHE 117 Cb 0.35 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1p2a h PHE 117 CO -0.00 -0.45 -0.22 0.00 -2.23 0.00 0.00 178.31 175.41 1p2a h HIS 119 N 0.00 0.66 0.00 0.00 3.86 -0.73 0.11 115.15 119.05 1p2a h HIS 119 Ca -0.00 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1p2a h HIS 119 Cb 0.71 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1p2a h HIS 119 CO 0.00 0.93 0.00 -1.13 0.86 0.00 0.00 177.93 178.59 1p2a n SER 120 N -3.97 0.00 -1.19 2.45 3.41 -0.87 -0.61 113.62 112.83 1p2a n SER 120 Ca -0.03 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 1p2a n SER 120 Cb 0.58 -0.49 0.28 0.00 -0.26 0.00 0.00 64.21 64.32 1p2a n SER 120 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1p2a n HIS 121 N -1.49 1.01 -3.62 7.33 8.25 -0.70 -4.95 115.22 121.05 1p2a n HIS 121 Ca 0.04 -0.57 -0.25 0.00 -0.26 0.00 0.00 57.72 56.68 1p2a n HIS 121 Cb 0.20 -0.12 0.08 0.00 1.12 0.00 0.00 29.99 31.26 1p2a n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1p2a n ARG 122 N 0.94 -7.78 -4.67 -0.41 1.74 0.22 -4.99 116.66 101.70 1p2a n ARG 122 Ca 0.21 0.81 -0.28 0.00 -0.77 0.00 0.00 57.85 57.83 1p2a n ARG 122 Cb 0.69 -5.86 -0.17 0.00 -1.02 0.00 0.00 32.46 26.10 1p2a n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p2a s VAL 123 N -3.32 1.45 0.16 1.55 1.01 0.31 -5.01 120.40 116.56 1p2a s VAL 123 Ca 0.59 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1p2a s VAL 123 Cb -0.27 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1p2a s VAL 123 CO 0.73 0.43 0.04 -0.76 0.00 0.00 0.00 175.10 175.54 1p2a s LEU 124 N 0.71 3.48 -0.07 3.92 1.43 -1.26 -3.58 118.68 123.31 1p2a s LEU 124 Ca -0.13 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 1p2a s LEU 124 Cb -0.16 -2.14 -0.30 0.00 0.03 0.00 0.00 46.19 43.63 1p2a s LEU 124 CO 0.03 0.10 0.80 -0.74 0.23 0.00 0.00 176.35 176.77 1p2a h HIS 125 N 2.76 0.44 0.00 0.29 -0.00 -1.96 -3.42 115.15 113.26 1p2a h HIS 125 Ca -0.47 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 59.58 1p2a h HIS 125 Cb 1.19 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1p2a h HIS 125 CO 0.61 1.31 0.00 0.54 -0.00 0.00 0.00 177.93 180.39 1p2a n ARG 126 N -4.17 0.00 -3.13 5.26 1.74 -1.26 -0.93 116.66 114.17 1p2a n ARG 126 Ca -0.16 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.72 1p2a n ARG 126 Cb 0.78 -0.22 -0.03 0.00 -1.02 0.00 0.00 32.46 31.97 1p2a n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1p2a n ASP 127 N 0.89 1.78 -4.76 0.55 2.03 -1.26 -4.97 116.55 110.81 1p2a n ASP 127 Ca 0.00 -3.18 -0.40 0.00 0.52 0.00 0.00 54.79 51.73 1p2a n ASP 127 Cb 0.00 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 39.76 1p2a n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1p2a s LEU 128 N -2.67 4.49 -0.05 -2.67 1.43 -1.26 -4.91 118.68 113.05 1p2a s LEU 128 Ca 0.42 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.59 1p2a s LEU 128 Cb 0.33 -3.67 0.11 0.00 0.03 0.00 0.00 46.19 42.98 1p2a s LEU 128 CO -0.10 -0.28 0.95 -1.59 0.23 0.00 0.00 176.35 175.56 1p2a s LYS 129 N -1.61 0.72 0.26 1.70 -2.85 -1.26 -4.79 119.74 111.90 1p2a s LYS 129 Ca 0.47 -0.24 -0.03 0.00 -1.00 0.00 0.00 55.97 55.17 1p2a s LYS 129 Cb -0.34 0.33 0.54 0.00 -2.06 0.00 0.00 37.83 36.30 1p2a s LYS 129 CO 0.43 -0.31 1.67 -1.35 0.10 0.00 0.00 175.35 175.90 1p2a h PRO 130 N 2.04 0.25 0.00 1.78 0.11 -1.95 0.61 132.00 134.84 1p2a h PRO 130 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1p2a h PRO 130 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p2a h PRO 130 CO 0.30 0.17 0.00 1.96 -0.21 0.00 0.00 178.00 180.21 1p2a h GLN 131 N 0.26 0.00 -0.60 1.05 4.20 -1.94 -1.49 115.11 116.59 1p2a h GLN 131 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1p2a h GLN 131 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1p2a h GLN 131 CO -0.56 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 177.69 1p2a n ASN 132 N -2.62 3.22 -4.29 1.46 3.02 0.20 -4.83 115.26 111.41 1p2a n ASN 132 Ca 0.00 -2.01 -0.33 0.00 -0.03 0.00 0.00 54.58 52.21 1p2a n ASN 132 Cb 0.18 -0.40 -0.15 0.00 -0.61 0.00 0.00 39.78 38.80 1p2a n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p2a s LEU 133 N -1.02 2.57 0.07 3.41 1.02 -0.58 -0.06 118.68 124.10 1p2a s LEU 133 Ca 0.40 -0.43 0.07 0.00 0.02 0.00 0.00 54.13 54.19 1p2a s LEU 133 Cb 0.21 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 1p2a s LEU 133 CO 0.27 0.09 -0.14 -0.76 0.02 0.00 0.00 176.35 175.84 1p2a s LEU 134 N 0.76 2.85 0.11 1.79 1.43 -0.01 -0.46 118.68 125.14 1p2a s LEU 134 Ca -0.06 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1p2a s LEU 134 Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1p2a s LEU 134 CO 0.01 0.22 -0.14 0.27 0.23 0.00 0.00 176.35 176.93 1p2a s ILE 135 N -1.08 1.27 0.08 -0.59 -4.36 0.16 0.42 121.20 117.10 1p2a s ILE 135 Ca 0.18 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1p2a s ILE 135 Cb -0.11 -1.40 -0.00 0.00 1.25 0.00 0.00 42.46 42.21 1p2a s ILE 135 CO 0.09 -0.35 0.01 -0.46 0.24 0.00 0.00 174.94 174.47 1p2a n ASN 136 N 0.77 1.87 -0.39 4.36 0.23 -1.04 -3.23 115.26 117.83 1p2a n ASN 136 Ca -0.17 -1.35 0.14 0.00 -0.53 0.00 0.00 54.58 52.67 1p2a n ASN 136 Cb 0.56 0.09 0.59 0.00 -2.08 0.00 0.00 39.78 38.93 1p2a n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1p2a n THR 137 N -0.19 0.00 0.84 5.53 -2.24 -1.26 -3.57 114.28 113.39 1p2a n THR 137 Ca -0.03 -0.20 0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1p2a n THR 137 Cb 0.10 0.33 0.30 0.00 -2.10 0.00 0.00 70.33 68.96 1p2a n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p2a n GLU 138 N -0.06 2.04 -0.77 -0.78 -0.58 -1.26 -4.74 120.64 114.48 1p2a n GLU 138 Ca 0.19 -1.57 0.00 0.00 -0.42 0.00 0.00 57.16 55.37 1p2a n GLU 138 Cb 0.32 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1p2a n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p2a n GLY 139 N 1.27 0.59 3.90 0.62 0.00 -1.23 -4.87 105.19 105.46 1p2a n GLY 139 Ca 0.17 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1p2a n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2a s ALA 140 N -2.00 3.67 -0.02 4.61 0.00 -1.26 -4.88 121.76 121.87 1p2a s ALA 140 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1p2a s ALA 140 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.86 1p2a s ALA 140 CO 0.00 0.41 -0.05 -1.50 0.00 0.00 0.00 175.76 174.62 1p2a s ILE 141 N -1.92 0.45 0.08 0.00 2.07 -1.26 -2.50 121.20 118.13 1p2a s ILE 141 Ca 0.44 -0.17 0.05 0.00 -1.41 0.00 0.00 60.65 59.56 1p2a s ILE 141 Cb -0.11 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 1p2a s ILE 141 CO 0.27 0.16 -0.14 -0.54 -1.91 0.00 0.00 174.94 172.78 1p2a s LYS 142 N 0.32 0.86 0.05 3.50 1.02 0.17 -4.68 119.74 120.98 1p2a s LYS 142 Ca -0.04 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.64 1p2a s LYS 142 Cb -0.07 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.37 1p2a s LYS 142 CO -0.00 0.17 0.92 -0.51 -0.92 0.00 0.00 175.35 175.01 1p2a s LEU 143 N -1.94 4.43 0.07 3.17 1.43 -0.64 -0.83 118.68 124.36 1p2a s LEU 143 Ca 0.01 1.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1p2a s LEU 143 Cb -0.08 -3.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1p2a s LEU 143 CO 0.02 -0.13 -0.07 0.00 0.23 0.00 0.00 176.35 176.40 1p2a s ALA 144 N 0.43 0.78 -0.89 4.21 0.00 0.92 -1.11 121.76 126.10 1p2a s ALA 144 Ca 0.47 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1p2a s ALA 144 Cb -0.22 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1p2a s ALA 144 CO 0.27 -0.12 0.76 -3.47 0.00 0.00 0.00 175.76 173.20 1p2a n ASP 145 N 0.71 -3.50 -4.64 0.00 -0.08 -1.26 -4.73 116.55 103.04 1p2a n ASP 145 Ca -0.17 -0.40 -0.44 0.00 -1.51 0.00 0.00 54.79 52.26 1p2a n ASP 145 Cb 0.58 -3.69 -0.01 0.00 2.34 0.00 0.00 41.12 40.33 1p2a n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1p2a n PHE 146 N -3.70 1.76 -2.65 -0.67 3.01 -1.26 -4.92 117.46 109.03 1p2a n PHE 146 Ca -0.10 0.63 -0.23 0.00 1.01 0.00 0.00 57.45 58.76 1p2a n PHE 146 Cb 0.58 -2.33 0.03 0.00 -0.01 0.00 0.00 39.48 37.75 1p2a n PHE 146 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1p2a s GLY 147 N -0.40 1.72 0.14 1.37 0.00 -0.11 -5.06 107.32 104.99 1p2a s GLY 147 Ca 0.58 -1.14 0.10 0.00 0.00 0.00 0.00 44.72 44.26 1p2a s GLY 147 CO 0.60 -0.87 -0.25 1.08 0.00 0.00 0.00 173.10 173.66 1p2a s LEU 148 N -4.79 2.35 -0.94 0.66 1.43 -1.26 -4.77 118.68 111.35 1p2a s LEU 148 Ca 0.55 -0.77 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 1p2a s LEU 148 Cb -0.10 -1.13 -0.25 0.00 0.03 0.00 0.00 46.19 44.73 1p2a s LEU 148 CO 0.40 0.13 2.04 0.00 0.23 0.00 0.00 176.35 179.15 1p2a n ALA 149 N 0.76 0.33 0.31 4.21 0.00 -1.26 -5.12 120.51 119.74 1p2a n ALA 149 Ca -0.17 -2.32 0.11 0.00 0.00 0.00 0.00 53.44 51.06 1p2a n ALA 149 Cb 0.54 -3.41 -0.08 0.00 0.00 0.00 0.00 19.45 16.49 1p2a n ALA 149 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1p2a n VAL 164 N 8.79 0.14 -3.13 0.00 3.14 -1.26 -5.26 118.33 120.75 1p2a n VAL 164 Ca 0.42 -0.37 -0.39 0.00 -2.96 0.00 0.00 64.34 61.04 1p2a n VAL 164 Cb 0.46 0.15 -0.05 0.00 -1.06 0.00 0.00 33.84 33.34 1p2a n VAL 164 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1p2a s THR 165 N -3.34 5.02 -1.55 1.55 2.01 -1.26 -4.94 115.64 113.14 1p2a s THR 165 Ca -0.01 1.32 0.16 0.00 0.31 0.00 0.00 61.69 63.47 1p2a s THR 165 Cb 0.14 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1p2a s THR 165 CO 0.86 0.31 0.88 0.18 -0.69 0.00 0.00 174.62 176.15 1p2a n LEU 166 N 3.47 1.71 -0.41 4.42 4.77 -1.26 -4.62 117.00 125.08 1p2a n LEU 166 Ca -0.04 -0.79 0.34 0.00 -0.03 0.00 0.00 56.01 55.49 1p2a n LEU 166 Cb 0.51 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.23 1p2a n LEU 166 CO 0.46 0.32 1.25 -0.50 -1.33 0.00 0.00 177.39 177.59 1p2a h TRP 167 N 1.96 0.48 -0.24 -1.77 4.06 -1.80 -1.49 115.95 117.15 1p2a h TRP 167 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1p2a h TRP 167 Cb 0.57 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1p2a h TRP 167 CO 0.00 -0.09 0.00 0.66 -3.56 0.00 0.00 178.44 175.45 1p2a n TYR 168 N -4.57 0.32 -2.29 0.49 4.01 -1.26 -4.56 117.16 109.29 1p2a n TYR 168 Ca 0.33 -0.27 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 1p2a n TYR 168 Cb 1.28 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 40.27 1p2a n TYR 168 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1p2a s ARG 169 N -1.08 4.36 0.73 -0.72 0.52 -0.56 -3.84 118.95 118.36 1p2a s ARG 169 Ca 0.23 1.92 -0.15 0.00 -0.52 0.00 0.00 55.73 57.21 1p2a s ARG 169 Cb 0.14 -3.36 0.04 0.00 0.52 0.00 0.00 34.95 32.28 1p2a s ARG 169 CO 0.19 -0.39 1.19 0.00 0.02 0.00 0.00 175.30 176.30 1p2a s ALA 170 N 1.39 2.14 0.39 2.13 0.00 -1.26 -4.87 121.76 121.68 1p2a s ALA 170 Ca 0.62 0.81 0.07 0.00 0.00 0.00 0.00 51.96 53.45 1p2a s ALA 170 Cb -0.32 -3.44 0.81 0.00 0.00 0.00 0.00 23.12 20.16 1p2a s ALA 170 CO 0.29 -1.83 2.01 -1.00 0.00 0.00 0.00 175.76 175.22 1p2a h PRO 171 N -0.34 0.49 -0.63 0.00 0.13 -1.94 -2.86 132.00 126.84 1p2a h PRO 171 Ca -0.47 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1p2a h PRO 171 Cb 1.29 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1p2a h PRO 171 CO 0.50 0.39 0.30 1.05 -0.23 0.00 0.00 178.00 180.01 1p2a h GLU 172 N 0.49 0.89 0.05 0.86 9.09 -1.92 0.65 114.58 124.70 1p2a h GLU 172 Ca 0.13 -0.12 -0.00 0.00 0.05 0.00 0.00 59.36 59.42 1p2a h GLU 172 Cb 0.07 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1p2a h GLU 172 CO -0.02 0.69 -0.02 0.82 0.05 0.00 0.00 179.01 180.53 1p2a h ILE 173 N 0.89 1.19 -0.36 -1.06 2.04 -1.78 0.19 117.51 118.63 1p2a h ILE 173 Ca 0.22 -0.81 0.10 0.00 1.00 0.00 0.00 64.86 65.37 1p2a h ILE 173 Cb 0.10 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1p2a h ILE 173 CO -0.03 0.20 0.31 -0.07 0.00 0.00 0.00 178.15 178.57 1p2a h LEU 174 N -0.43 0.00 -1.88 1.44 -0.00 -1.32 -0.03 115.31 113.09 1p2a h LEU 174 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1p2a h LEU 174 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1p2a h LEU 174 CO 0.01 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.63 1p2a n LEU 175 N -4.06 2.76 0.00 1.67 4.77 0.19 -4.91 117.00 117.42 1p2a n LEU 175 Ca 0.06 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1p2a n LEU 175 Cb 0.48 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1p2a n LEU 175 CO 0.32 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1p2a n GLY 176 N 1.15 0.74 3.65 -0.72 0.00 -0.03 -1.03 105.19 108.96 1p2a n GLY 176 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1p2a n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2a h LYS 178 N 11.05 0.42 -2.81 0.00 1.57 -1.94 -3.39 116.57 121.47 1p2a h LYS 178 Ca -0.49 -0.69 -0.68 0.00 -1.87 0.00 0.00 60.65 56.92 1p2a h LYS 178 Cb 1.24 0.25 -0.37 0.00 0.08 0.00 0.00 32.23 33.43 1p2a h LYS 178 CO 0.94 1.32 -0.16 0.66 -0.57 0.00 0.00 179.45 181.65 1p2a n TYR 179 N -3.64 3.54 -2.51 -1.35 4.01 -1.26 -5.07 117.16 110.88 1p2a n TYR 179 Ca -0.12 -3.87 -0.28 0.00 -0.16 0.00 0.00 57.90 53.47 1p2a n TYR 179 Cb 1.05 -0.90 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1p2a n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1p2a s TYR 180 N -2.06 3.57 0.32 -0.72 -0.85 -1.26 -5.09 117.35 111.25 1p2a s TYR 180 Ca 0.32 0.91 0.05 0.00 -0.52 0.00 0.00 57.07 57.83 1p2a s TYR 180 Cb 0.03 -2.38 0.05 0.00 0.38 0.00 0.00 41.96 40.05 1p2a s TYR 180 CO -0.05 -0.34 0.44 -1.13 -1.52 0.00 0.00 175.55 172.95 1p2a n SER 181 N -2.31 1.09 0.33 -0.18 3.41 -1.26 -4.97 113.62 109.73 1p2a n SER 181 Ca 0.02 -1.80 0.22 0.00 -0.26 0.00 0.00 58.87 57.05 1p2a n SER 181 Cb 0.55 -0.24 1.19 0.00 -0.26 0.00 0.00 64.21 65.45 1p2a n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1p2a h THR 182 N 0.01 0.00 0.00 6.66 1.35 -1.98 -2.49 112.91 116.46 1p2a h THR 182 Ca -0.15 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1p2a h THR 182 Cb 0.66 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1p2a h THR 182 CO 0.20 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.47 1p2a h ALA 183 N 2.00 1.00 0.00 6.62 0.00 -1.93 -1.99 119.26 124.96 1p2a h ALA 183 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1p2a h ALA 183 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p2a h ALA 183 CO 0.00 0.00 -0.46 -0.39 0.00 0.00 0.00 179.25 178.40 1p2a h VAL 184 N 0.00 1.12 -0.10 0.00 -1.51 -1.84 -2.38 116.25 111.54 1p2a h VAL 184 Ca 0.00 -1.72 -0.18 0.00 -1.23 0.00 0.00 66.70 63.57 1p2a h VAL 184 Cb 0.01 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1p2a h VAL 184 CO 0.00 0.46 -0.70 0.44 -1.23 0.00 0.00 177.57 176.53 1p2a h ASP 185 N 0.00 0.54 -0.32 4.19 3.32 -1.60 -2.24 116.42 120.31 1p2a h ASP 185 Ca -0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1p2a h ASP 185 Cb 0.95 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1p2a h ASP 185 CO 0.06 1.08 0.05 0.40 -1.72 0.00 0.00 179.24 179.11 1p2a h ILE 186 N 0.32 1.23 -0.04 0.35 1.08 -1.58 0.67 117.51 119.55 1p2a h ILE 186 Ca -0.03 -0.81 0.03 0.00 -0.39 0.00 0.00 64.86 63.66 1p2a h ILE 186 Cb 1.27 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 1p2a h ILE 186 CO 0.12 0.27 -0.13 -0.25 -0.69 0.00 0.00 178.15 177.47 1p2a h TRP 187 N 0.35 -0.34 -0.63 1.37 2.91 -1.39 0.28 115.95 118.50 1p2a h TRP 187 Ca 0.10 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.18 1p2a h TRP 187 Cb 0.34 0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.10 1p2a h TRP 187 CO 0.02 -0.20 0.35 0.77 -1.03 0.00 0.00 178.44 178.36 1p2a h SER 188 N -0.21 0.53 -0.27 2.65 0.02 -1.20 -1.04 113.55 114.04 1p2a h SER 188 Ca 0.06 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1p2a h SER 188 Cb 0.29 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1p2a h SER 188 CO -0.16 0.35 -0.11 0.25 -1.14 0.00 0.00 176.83 176.03 1p2a h LEU 189 N 0.67 0.66 -0.88 5.07 5.85 -0.31 -1.46 115.31 124.90 1p2a h LEU 189 Ca 0.28 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1p2a h LEU 189 Cb 0.14 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1p2a h LEU 189 CO -0.16 0.80 0.50 1.23 -0.34 0.00 0.00 178.44 180.47 1p2a h GLY 190 N 0.96 1.30 0.97 3.75 0.00 0.45 0.28 103.07 110.79 1p2a h GLY 190 Ca 0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1p2a h GLY 190 CO 0.03 0.55 0.21 0.00 0.00 0.00 0.00 176.54 177.33 1p2a h ILE 192 N 0.65 1.26 -0.14 0.00 2.04 -0.71 -0.74 117.51 119.87 1p2a h ILE 192 Ca 0.16 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1p2a h ILE 192 Cb 0.18 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1p2a h ILE 192 CO -0.02 0.37 0.01 0.15 0.00 0.00 0.00 178.15 178.67 1p2a h PHE 193 N 0.94 0.02 -0.72 1.37 3.57 -0.01 -0.30 116.94 121.80 1p2a h PHE 193 Ca 0.19 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1p2a h PHE 193 Cb 0.43 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1p2a h PHE 193 CO 0.03 0.00 0.48 0.00 -2.23 0.00 0.00 178.31 176.59 1p2a h ALA 194 N 1.11 1.50 -0.29 2.41 0.00 -0.70 -2.39 119.26 120.91 1p2a h ALA 194 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1p2a h ALA 194 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1p2a h ALA 194 CO -0.10 0.45 -0.18 1.49 0.00 0.00 0.00 179.25 180.91 1p2a h GLU 195 N 0.96 0.63 -0.78 0.00 4.81 -0.37 -1.28 114.58 118.55 1p2a h GLU 195 Ca 0.27 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1p2a h GLU 195 Cb -0.08 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1p2a h GLU 195 CO -0.06 0.88 0.50 0.52 -0.73 0.00 0.00 179.01 180.12 1p2a h MET 196 N 0.37 0.97 -0.10 1.92 2.86 -0.75 0.64 114.93 120.84 1p2a h MET 196 Ca 0.06 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1p2a h MET 196 Cb 0.72 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1p2a h MET 196 CO 0.05 0.64 -0.08 0.28 1.06 0.00 0.00 176.91 178.86 1p2a h VAL 197 N 1.00 1.35 0.00 -2.22 2.07 -1.37 -3.35 116.25 113.72 1p2a h VAL 197 Ca 0.30 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 1p2a h VAL 197 Cb -0.04 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1p2a h VAL 197 CO -0.09 0.34 -1.19 0.35 0.02 0.00 0.00 177.57 177.00 1p2a n THR 198 N -4.68 0.85 -2.46 2.57 -2.24 -0.49 -4.86 114.28 102.98 1p2a n THR 198 Ca -0.07 -0.61 -0.07 0.00 -2.27 0.00 0.00 64.05 61.04 1p2a n THR 198 Cb 0.31 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.04 1p2a n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1p2a n ARG 199 N -2.76 -1.40 -3.60 -0.78 1.74 0.22 -5.03 116.66 105.05 1p2a n ARG 199 Ca -0.04 0.28 -0.16 0.00 -0.77 0.00 0.00 57.85 57.16 1p2a n ARG 199 Cb 0.67 -3.85 -0.07 0.00 -1.02 0.00 0.00 32.46 28.19 1p2a n ARG 199 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1p2a s ARG 200 N -4.83 0.89 0.32 5.56 0.52 -1.23 -5.07 118.95 115.11 1p2a s ARG 200 Ca 0.08 0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 55.51 1p2a s ARG 200 Cb -0.04 0.43 -0.11 0.00 0.52 0.00 0.00 34.95 35.75 1p2a s ARG 200 CO 0.10 -0.21 1.45 0.00 0.02 0.00 0.00 175.30 176.67 1p2a s ALA 201 N -0.52 3.60 0.00 2.13 0.00 -1.26 -4.23 121.76 121.48 1p2a s ALA 201 Ca -0.06 1.44 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 1p2a s ALA 201 Cb -0.03 -3.57 -0.18 0.00 0.00 0.00 0.00 23.12 19.34 1p2a s ALA 201 CO 0.05 -0.87 1.31 1.25 0.00 0.00 0.00 175.76 177.50 1p2a h LEU 202 N 3.87 -0.13 -6.59 0.00 6.46 -1.90 -3.38 115.31 113.63 1p2a h LEU 202 Ca -0.49 -0.30 -0.60 0.00 -0.12 0.00 0.00 57.88 56.38 1p2a h LEU 202 Cb 1.23 0.03 -0.41 0.00 -0.73 0.00 0.00 40.66 40.78 1p2a h LEU 202 CO 0.70 0.24 -0.71 0.49 -0.62 0.00 0.00 178.44 178.54 1p2a n PHE 203 N -4.99 2.18 -1.44 1.25 3.72 -1.26 -5.02 117.46 111.89 1p2a n PHE 203 Ca -0.09 -4.00 -0.40 0.00 -0.05 0.00 0.00 57.45 52.92 1p2a n PHE 203 Cb 0.22 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1p2a n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1p2a n PRO 204 N 1.76 2.88 -2.48 -1.08 -0.04 -1.26 -4.31 135.00 130.47 1p2a n PRO 204 Ca 0.25 -2.29 -0.33 0.00 -0.04 0.00 0.00 63.50 61.09 1p2a n PRO 204 Cb 0.41 -3.02 -0.03 0.00 -0.04 0.00 0.00 33.50 30.82 1p2a n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1p2a s GLY 205 N 3.13 2.37 -0.04 0.55 0.00 -1.26 -4.98 107.32 107.08 1p2a s GLY 205 Ca 0.55 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.82 1p2a s GLY 205 CO -0.05 0.79 1.06 2.09 0.00 0.00 0.00 173.10 177.00 1p2a n ASP 206 N -1.18 2.18 -3.61 1.64 5.75 -1.26 -4.53 116.55 115.54 1p2a n ASP 206 Ca 0.08 -2.34 -0.07 0.00 -0.01 0.00 0.00 54.79 52.45 1p2a n ASP 206 Cb 0.53 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 1p2a n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1p2a s SER 207 N -1.57 -0.33 0.10 -1.12 1.04 -1.26 -5.02 113.70 105.53 1p2a s SER 207 Ca 0.11 -0.19 -0.21 0.00 0.48 0.00 0.00 55.95 56.14 1p2a s SER 207 Cb 0.09 0.49 -0.11 0.00 0.10 0.00 0.00 66.02 66.60 1p2a s SER 207 CO 0.02 -0.84 1.70 -0.33 0.98 0.00 0.00 173.24 174.76 1p2a h GLU 208 N 2.00 0.17 -0.66 4.02 5.08 -1.99 -0.07 114.58 123.13 1p2a h GLU 208 Ca -0.24 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1p2a h GLU 208 Cb 1.25 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1p2a h GLU 208 CO 0.29 0.18 0.24 0.97 -1.00 0.00 0.00 179.01 179.69 1p2a h ILE 209 N 0.11 1.25 -0.73 3.13 6.09 -1.98 -0.72 117.51 124.66 1p2a h ILE 209 Ca 0.04 -0.81 -0.01 0.00 -1.37 0.00 0.00 64.86 62.72 1p2a h ILE 209 Cb 0.06 0.53 -0.04 0.00 0.47 0.00 0.00 36.82 37.84 1p2a h ILE 209 CO -0.01 0.31 0.42 -0.78 -3.07 0.00 0.00 178.15 175.02 1p2a h ASP 210 N 0.94 0.90 -0.15 2.19 3.58 -1.91 0.33 116.42 122.29 1p2a h ASP 210 Ca 0.22 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1p2a h ASP 210 Cb 0.25 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1p2a h ASP 210 CO -0.01 0.71 -0.02 -0.61 -2.88 0.00 0.00 179.24 176.43 1p2a h GLN 211 N 1.02 0.28 -0.84 0.28 5.75 -0.53 -0.04 115.11 121.03 1p2a h GLN 211 Ca 0.26 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1p2a h GLN 211 Cb 0.00 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 1p2a h GLN 211 CO -0.05 0.53 0.51 1.25 -2.65 0.00 0.00 178.83 178.43 1p2a h LEU 212 N 0.01 1.01 -0.58 -2.39 5.85 -0.66 -1.98 115.31 116.56 1p2a h LEU 212 Ca 0.04 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 1p2a h LEU 212 Cb 0.42 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1p2a h LEU 212 CO 0.01 0.78 -0.63 -0.26 -0.34 0.00 0.00 178.44 178.00 1p2a h PHE 213 N 1.16 0.00 -0.00 1.25 -1.00 -0.20 -0.39 116.94 117.76 1p2a h PHE 213 Ca 0.30 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.95 1p2a h PHE 213 Cb -0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1p2a h PHE 213 CO -0.00 0.63 -0.61 0.00 -1.61 0.00 0.00 178.31 176.72 1p2a h ARG 214 N 0.00 0.00 -0.09 1.51 3.08 -0.73 -0.75 114.38 117.40 1p2a h ARG 214 Ca -0.01 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1p2a h ARG 214 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1p2a h ARG 214 CO 0.08 0.61 -0.12 0.82 -1.07 0.00 0.00 179.97 180.29 1p2a h ILE 215 N 0.00 1.38 -0.43 2.04 2.04 -1.02 -2.97 117.51 118.55 1p2a h ILE 215 Ca -0.01 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1p2a h ILE 215 Cb 1.07 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 1p2a h ILE 215 CO 0.08 0.38 0.15 -0.26 0.00 0.00 0.00 178.15 178.50 1p2a h PHE 216 N -0.20 0.62 -0.21 1.37 -1.00 -0.92 -1.39 116.94 115.21 1p2a h PHE 216 Ca 0.01 -0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 1p2a h PHE 216 Cb 0.66 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1p2a h PHE 216 CO 0.10 0.50 -0.22 0.00 -1.61 0.00 0.00 178.31 177.07 1p2a h ARG 217 N 0.61 0.38 0.00 1.51 3.08 -1.13 0.35 114.38 119.19 1p2a h ARG 217 Ca 0.15 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1p2a h ARG 217 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1p2a h ARG 217 CO -0.01 0.59 -0.35 1.15 -1.07 0.00 0.00 179.97 180.28 1p2a h THR 218 N 0.34 0.94 -0.06 2.04 2.02 -1.30 -3.40 112.91 113.50 1p2a h THR 218 Ca 0.06 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1p2a h THR 218 Cb 0.59 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1p2a h THR 218 CO 0.04 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.43 1p2a n LEU 219 N -4.61 2.28 0.00 2.58 4.32 -0.56 -1.30 117.00 119.71 1p2a n LEU 219 Ca -0.12 -0.79 0.00 0.00 -0.02 0.00 0.00 56.01 55.08 1p2a n LEU 219 Cb 0.38 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1p2a n LEU 219 CO 0.19 0.40 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 1p2a n GLY 220 N 1.27 -1.03 3.73 -0.72 0.00 0.12 -4.31 105.19 104.26 1p2a n GLY 220 Ca 0.17 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1p2a n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p2a s THR 221 N -3.14 2.72 0.46 2.61 2.01 -0.63 -4.58 115.64 115.10 1p2a s THR 221 Ca 0.00 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 1p2a s THR 221 Cb 0.00 -3.35 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 1p2a s THR 221 CO 0.00 0.06 1.16 -2.16 -0.69 0.00 0.00 174.62 172.99 1p2a s PRO 222 N 0.45 3.76 0.26 4.92 0.04 -1.26 -4.88 135.00 138.30 1p2a s PRO 222 Ca 0.65 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.48 1p2a s PRO 222 Cb -0.42 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 1p2a s PRO 222 CO 0.36 -0.54 0.16 -0.40 0.04 0.00 0.00 177.00 176.63 1p2a n ASP 223 N -0.50 0.14 0.23 6.66 5.68 -1.26 -4.97 116.55 122.53 1p2a n ASP 223 Ca 0.07 -2.56 0.16 0.00 -0.50 0.00 0.00 54.79 51.96 1p2a n ASP 223 Cb 0.48 1.01 0.62 0.00 -1.14 0.00 0.00 41.12 42.10 1p2a n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1p2a h GLU 224 N 0.00 0.00 0.44 0.11 4.39 -1.97 -0.83 114.58 116.73 1p2a h GLU 224 Ca -0.19 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1p2a h GLU 224 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1p2a h GLU 224 CO 0.29 0.00 -0.21 0.28 -1.16 0.00 0.00 179.01 178.21 1p2a h VAL 225 N 0.00 0.38 0.00 3.13 2.07 -1.99 -3.11 116.25 116.73 1p2a h VAL 225 Ca 0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1p2a h VAL 225 Cb 0.48 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1p2a h VAL 225 CO 0.00 0.07 -0.59 1.33 0.02 0.00 0.00 177.57 178.40 1p2a n VAL 226 N -5.21 0.24 -3.18 2.57 0.24 -1.22 -4.64 118.33 107.12 1p2a n VAL 226 Ca -0.10 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 61.86 1p2a n VAL 226 Cb 0.29 -0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 1p2a n VAL 226 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1p2a s TRP 227 N -3.12 -0.30 0.05 6.34 -0.11 -0.32 -4.26 118.94 117.22 1p2a s TRP 227 Ca 0.08 -1.20 -0.33 0.00 1.22 0.00 0.00 56.10 55.87 1p2a s TRP 227 Cb 0.15 -0.32 -0.12 0.00 -1.50 0.00 0.00 33.47 31.68 1p2a s TRP 227 CO 0.71 -1.03 1.79 -2.30 -4.62 0.00 0.00 176.95 171.51 1p2a n PRO 228 N 3.39 2.38 -0.36 5.86 -0.02 -1.17 -1.83 135.00 143.25 1p2a n PRO 228 Ca 0.19 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1p2a n PRO 228 Cb 0.50 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1p2a n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p2a n GLY 229 N 4.09 0.72 0.27 -1.23 0.00 -1.26 -4.96 105.19 102.82 1p2a n GLY 229 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 1p2a n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1p2a h VAL 230 N 0.00 1.18 0.00 1.61 3.04 -1.66 -1.59 116.25 118.83 1p2a h VAL 230 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1p2a h VAL 230 Cb 0.00 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 29.45 1p2a h VAL 230 CO 0.00 0.17 0.00 0.35 -1.01 0.00 0.00 177.57 177.08 1p2a n THR 231 N -4.61 0.70 0.99 3.17 -2.24 -1.26 -1.11 114.28 109.93 1p2a n THR 231 Ca 0.06 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.13 1p2a n THR 231 Cb 0.02 -0.93 0.14 0.00 -2.10 0.00 0.00 70.33 67.45 1p2a n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1p2a n SER 232 N -1.34 2.92 -4.77 3.42 7.64 -0.61 -4.85 113.62 116.03 1p2a n SER 232 Ca 0.06 -1.96 -0.41 0.00 1.01 0.00 0.00 58.87 57.57 1p2a n SER 232 Cb 0.13 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 1p2a n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1p2a s MET 233 N -1.97 4.28 0.33 1.43 -1.94 -0.26 -4.90 119.30 116.26 1p2a s MET 233 Ca 0.29 2.32 0.12 0.00 -1.71 0.00 0.00 55.69 56.71 1p2a s MET 233 Cb 0.20 -3.06 1.01 0.00 2.01 0.00 0.00 34.83 34.99 1p2a s MET 233 CO 0.30 -0.33 1.65 -1.35 -0.01 0.00 0.00 175.02 175.29 1p2a h PRO 234 N 3.70 0.27 -0.57 2.03 0.11 -1.85 -0.50 132.00 135.18 1p2a h PRO 234 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p2a h PRO 234 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p2a h PRO 234 CO 0.68 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 1p2a n ASP 235 N -5.11 3.67 -4.77 -2.05 8.00 -0.19 -4.98 116.55 111.12 1p2a n ASP 235 Ca 0.30 -2.08 -0.38 0.00 0.71 0.00 0.00 54.79 53.33 1p2a n ASP 235 Cb 0.93 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1p2a n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1p2a s TYR 236 N -1.15 2.87 -0.09 1.24 5.04 -0.20 -4.97 117.35 120.10 1p2a s TYR 236 Ca 0.40 1.48 -0.00 0.00 -2.44 0.00 0.00 57.07 56.51 1p2a s TYR 236 Cb 0.22 -3.52 0.02 0.00 0.35 0.00 0.00 41.96 39.03 1p2a s TYR 236 CO 0.25 -1.77 -0.06 0.15 -1.34 0.00 0.00 175.55 172.79 1p2a s LYS 237 N -2.41 1.22 0.60 4.97 -0.14 -1.26 -4.95 119.74 117.76 1p2a s LYS 237 Ca 0.60 -0.16 0.38 0.00 -1.36 0.00 0.00 55.97 55.43 1p2a s LYS 237 Cb -0.34 -1.30 2.08 0.00 -1.68 0.00 0.00 37.83 36.59 1p2a s LYS 237 CO 0.42 -0.21 2.17 -1.35 -0.76 0.00 0.00 175.35 175.62 1p2a h PRO 238 N 7.93 0.00 -0.00 -1.68 0.11 -1.95 -0.97 132.00 135.44 1p2a h PRO 238 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1p2a h PRO 238 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p2a h PRO 238 CO 0.39 0.00 -0.05 -1.13 -0.21 0.00 0.00 178.00 176.99 1p2a n SER 239 N -2.88 0.32 -4.65 -2.05 3.41 -1.26 -4.90 113.62 101.61 1p2a n SER 239 Ca -0.03 -0.60 -0.46 0.00 -0.26 0.00 0.00 58.87 57.52 1p2a n SER 239 Cb 0.10 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1p2a n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1p2a n PHE 240 N -0.98 2.01 -1.04 7.33 3.72 -0.37 -4.90 117.46 123.23 1p2a n PHE 240 Ca 0.17 0.47 -0.33 0.00 -0.05 0.00 0.00 57.45 57.70 1p2a n PHE 240 Cb 0.24 -2.43 0.13 0.00 -0.94 0.00 0.00 39.48 36.48 1p2a n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1p2a n PRO 241 N 2.07 0.09 -3.75 -1.08 -0.02 -1.26 -4.96 135.00 126.09 1p2a n PRO 241 Ca 0.13 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.34 1p2a n PRO 241 Cb 0.30 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 1p2a n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1p2a s LYS 242 N -4.16 2.54 0.14 -0.52 1.02 -1.26 -4.81 119.74 112.69 1p2a s LYS 242 Ca 0.72 -1.30 0.05 0.00 0.02 0.00 0.00 55.97 55.46 1p2a s LYS 242 Cb -0.28 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 1p2a s LYS 242 CO 0.52 -0.75 0.08 -1.58 -0.92 0.00 0.00 175.35 172.70 1p2a s TRP 243 N 1.36 3.08 0.51 3.18 0.51 -1.26 -4.94 118.94 121.38 1p2a s TRP 243 Ca -0.00 -0.02 -0.06 0.00 -2.12 0.00 0.00 56.10 53.90 1p2a s TRP 243 Cb -0.20 -1.52 -0.03 0.00 -0.81 0.00 0.00 33.47 30.91 1p2a s TRP 243 CO 0.02 0.51 0.83 0.00 -0.51 0.00 0.00 176.95 177.80 1p2a s ALA 244 N -1.59 3.35 -0.17 0.98 0.00 -1.26 -1.60 121.76 121.47 1p2a s ALA 244 Ca 0.29 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 1p2a s ALA 244 Cb -0.11 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 1p2a s ALA 244 CO 0.21 -0.44 0.88 0.50 0.00 0.00 0.00 175.76 176.91 1p2a s ARG 245 N -4.83 4.31 0.52 0.00 3.52 -1.26 -3.59 118.95 117.62 1p2a s ARG 245 Ca 0.49 1.10 -0.17 0.00 -0.13 0.00 0.00 55.73 57.02 1p2a s ARG 245 Cb -0.10 -3.58 -0.07 0.00 -1.56 0.00 0.00 34.95 29.63 1p2a s ARG 245 CO 0.46 -0.36 1.00 -0.65 -0.81 0.00 0.00 175.30 174.93 1p2a s GLN 246 N 2.26 3.86 0.20 5.12 -1.52 -0.42 -4.89 119.66 124.28 1p2a s GLN 246 Ca 0.40 1.02 -0.32 0.00 -1.95 0.00 0.00 55.36 54.51 1p2a s GLN 246 Cb -0.17 -2.12 -0.12 0.00 -0.22 0.00 0.00 33.01 30.38 1p2a s GLN 246 CO 0.12 -0.34 1.72 -0.25 -0.25 0.00 0.00 175.29 176.29 1p2a n ASP 247 N -1.57 3.97 0.00 5.90 8.00 -1.26 -4.83 116.55 126.75 1p2a n ASP 247 Ca 0.07 1.06 0.02 0.00 0.71 0.00 0.00 54.79 56.65 1p2a n ASP 247 Cb 0.54 -1.57 0.11 0.00 -0.02 0.00 0.00 41.12 40.18 1p2a n ASP 247 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1p2a n PHE 248 N 3.98 0.00 0.23 1.24 7.35 -1.26 -0.61 117.46 128.40 1p2a n PHE 248 Ca 0.16 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.97 1p2a n PHE 248 Cb 0.35 -0.33 0.17 0.00 0.35 0.00 0.00 39.48 40.02 1p2a n PHE 248 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1p2a h SER 249 N 0.00 0.00 0.52 -2.13 4.64 -1.97 -3.08 113.55 111.53 1p2a h SER 249 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p2a h SER 249 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1p2a h SER 249 CO 0.00 0.00 -1.39 1.17 -0.87 0.00 0.00 176.83 175.74 1p2a n LYS 250 N -3.03 0.58 -0.03 4.77 4.81 0.22 -4.11 118.16 121.38 1p2a n LYS 250 Ca 0.04 -0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 1p2a n LYS 250 Cb 0.53 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.80 1p2a n LYS 250 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1p2a h VAL 251 N 0.00 1.49 -1.33 3.15 2.07 -1.45 -3.41 116.25 116.77 1p2a h VAL 251 Ca 0.00 -1.71 -0.43 0.00 0.82 0.00 0.00 66.70 65.39 1p2a h VAL 251 Cb 0.96 2.52 -0.40 0.00 -1.52 0.00 0.00 31.29 32.85 1p2a h VAL 251 CO 0.00 0.47 -1.11 1.33 0.02 0.00 0.00 177.57 178.28 1p2a n VAL 252 N -4.58 1.05 -1.67 2.57 0.24 -1.22 -5.00 118.33 109.72 1p2a n VAL 252 Ca -0.09 -3.74 -0.32 0.00 -2.04 0.00 0.00 64.34 58.14 1p2a n VAL 252 Cb 0.43 0.11 0.05 0.00 -1.47 0.00 0.00 33.84 32.97 1p2a n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1p2a s PRO 253 N -3.06 2.79 -0.55 7.34 0.04 -1.26 -2.01 135.00 138.29 1p2a s PRO 253 Ca 0.34 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.63 1p2a s PRO 253 Cb 0.42 -1.96 0.53 0.00 0.04 0.00 0.00 34.50 33.53 1p2a s PRO 253 CO -0.02 -1.24 1.92 -0.35 0.04 0.00 0.00 177.00 177.35 1p2a n PRO 254 N -2.70 2.54 -1.62 0.56 -0.04 -1.26 -4.69 135.00 127.80 1p2a n PRO 254 Ca 0.09 -3.23 -0.42 0.00 -0.04 0.00 0.00 63.50 59.90 1p2a n PRO 254 Cb 0.53 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1p2a n PRO 254 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1p2a n LEU 255 N -1.00 2.56 -4.70 1.53 7.94 -0.85 -4.97 117.00 117.51 1p2a n LEU 255 Ca 0.59 1.08 -0.29 0.00 -1.11 0.00 0.00 56.01 56.28 1p2a n LEU 255 Cb 1.06 -1.36 0.18 0.00 0.53 0.00 0.00 43.42 43.84 1p2a n LEU 255 CO 0.68 -1.36 0.67 1.51 -1.11 0.00 0.00 177.39 177.78 1p2a s ASP 256 N -0.66 2.40 0.27 1.96 1.47 -1.26 -4.74 116.67 116.11 1p2a s ASP 256 Ca 0.61 0.90 -0.00 0.00 1.18 0.00 0.00 52.55 55.24 1p2a s ASP 256 Cb -0.58 -1.39 0.50 0.00 -0.34 0.00 0.00 42.92 41.11 1p2a s ASP 256 CO 0.58 -3.24 1.83 -0.08 0.68 0.00 0.00 175.17 174.94 1p2a h GLU 257 N -1.97 0.92 -0.02 2.11 4.57 -1.98 -1.41 114.58 116.80 1p2a h GLU 257 Ca -0.50 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1p2a h GLU 257 Cb 1.32 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1p2a h GLU 257 CO 0.51 0.61 0.01 -0.44 -1.18 0.00 0.00 179.01 178.52 1p2a h ASP 258 N 0.95 0.02 -0.15 1.04 3.32 -1.98 -0.82 116.42 118.80 1p2a h ASP 258 Ca 0.47 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.35 1p2a h ASP 258 Cb 0.44 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1p2a h ASP 258 CO -0.26 0.20 0.06 1.23 -1.72 0.00 0.00 179.24 178.74 1p2a h GLY 259 N -0.15 0.19 2.00 2.75 0.00 -1.83 -1.16 103.07 104.86 1p2a h GLY 259 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1p2a h GLY 259 CO -0.00 0.03 -0.17 3.21 0.00 0.00 0.00 176.54 179.61 1p2a h ARG 260 N 0.14 0.00 -0.12 4.80 3.08 -1.21 -0.35 114.38 120.71 1p2a h ARG 260 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1p2a h ARG 260 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1p2a h ARG 260 CO -0.06 0.17 -0.09 1.03 -1.07 0.00 0.00 179.97 179.95 1p2a h SER 261 N 0.00 0.30 0.05 7.04 0.87 -0.54 -1.53 113.55 119.73 1p2a h SER 261 Ca -0.00 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1p2a h SER 261 Cb 0.33 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1p2a h SER 261 CO 0.02 0.69 -0.02 0.25 -0.53 0.00 0.00 176.83 177.24 1p2a h LEU 262 N -0.09 -0.06 -0.86 2.23 5.85 -0.70 -2.60 115.31 119.09 1p2a h LEU 262 Ca 0.02 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1p2a h LEU 262 Cb 0.59 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1p2a h LEU 262 CO 0.02 0.10 0.52 0.25 -0.34 0.00 0.00 178.44 178.99 1p2a h LEU 263 N -0.21 0.79 -0.90 2.25 5.85 -1.12 -1.00 115.31 120.98 1p2a h LEU 263 Ca -0.01 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1p2a h LEU 263 Cb 0.18 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 1p2a h LEU 263 CO 0.01 0.48 0.53 -1.28 -0.34 0.00 0.00 178.44 177.84 1p2a h SER 264 N 0.91 0.74 1.66 1.25 0.87 -1.08 0.03 113.55 117.94 1p2a h SER 264 Ca 0.39 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1p2a h SER 264 Cb 0.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1p2a h SER 264 CO -0.20 0.39 -0.10 1.56 -0.53 0.00 0.00 176.83 177.95 1p2a h GLN 265 N 0.83 0.00 0.00 2.24 4.20 -0.83 -3.04 115.11 118.51 1p2a h GLN 265 Ca 0.46 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.07 1p2a h GLN 265 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1p2a h GLN 265 CO -0.28 0.00 -0.88 0.52 -0.67 0.00 0.00 178.83 177.52 1p2a h MET 266 N 0.00 0.00 -0.66 1.46 2.86 -0.44 0.32 114.93 118.46 1p2a h MET 266 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1p2a h MET 266 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1p2a h MET 266 CO 0.00 0.28 0.00 1.28 1.06 0.00 0.00 176.91 179.53 1p2a n LEU 267 N -2.99 4.46 -4.75 1.22 4.32 -0.10 -3.85 117.00 115.30 1p2a n LEU 267 Ca -0.03 -2.25 -0.41 0.00 -0.02 0.00 0.00 56.01 53.30 1p2a n LEU 267 Cb 0.72 -0.55 -0.02 0.00 -1.62 0.00 0.00 43.42 41.95 1p2a n LEU 267 CO 0.41 0.80 1.18 -1.00 -1.22 0.00 0.00 177.39 177.56 1p2a s HIS 268 N -1.71 2.84 0.10 -1.77 3.76 -1.16 -4.92 115.29 112.44 1p2a s HIS 268 Ca 0.49 0.90 -0.28 0.00 -0.15 0.00 0.00 55.06 56.02 1p2a s HIS 268 Cb 0.30 -3.97 -0.11 0.00 1.11 0.00 0.00 32.58 29.92 1p2a s HIS 268 CO 0.25 -3.20 1.64 1.88 -0.85 0.00 0.00 174.74 174.46 1p2a h TYR 269 N 4.79 -0.71 -2.51 1.40 0.05 -1.92 -3.41 116.97 114.65 1p2a h TYR 269 Ca -0.47 0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.75 1p2a h TYR 269 Cb 1.22 0.29 -0.01 0.00 1.01 0.00 0.00 36.73 39.23 1p2a h TYR 269 CO 0.59 -0.38 1.25 0.34 -1.05 0.00 0.00 178.16 178.91 1p2a s ASP 270 N -4.76 6.10 0.36 3.88 -1.08 -1.26 -4.85 116.67 115.06 1p2a s ASP 270 Ca -0.16 1.80 0.10 0.00 -0.52 0.00 0.00 52.55 53.77 1p2a s ASP 270 Cb 0.07 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.86 1p2a s ASP 270 CO 0.65 -1.46 1.84 -0.65 0.52 0.00 0.00 175.17 176.07 1p2a h PRO 271 N 12.03 0.63 0.00 4.34 0.11 -1.95 -0.12 132.00 147.04 1p2a h PRO 271 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1p2a h PRO 271 Cb 1.19 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1p2a h PRO 271 CO 0.99 0.42 -0.05 -0.91 -0.21 0.00 0.00 178.00 178.24 1p2a h ASN 272 N 0.65 0.00 0.00 -2.05 4.21 -1.95 -2.78 115.58 113.66 1p2a h ASN 272 Ca 0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.99 1p2a h ASN 272 Cb 0.86 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 1p2a h ASN 272 CO -0.24 0.05 -1.44 0.29 -1.29 0.00 0.00 177.43 174.80 1p2a n LYS 273 N -3.19 0.45 -1.93 0.81 5.02 -0.19 -4.94 118.16 114.19 1p2a n LYS 273 Ca -0.00 -0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.79 1p2a n LYS 273 Cb 0.30 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1p2a n LYS 273 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1p2a s ARG 274 N -3.18 4.06 0.55 1.97 3.52 -0.43 -4.93 118.95 120.52 1p2a s ARG 274 Ca 0.00 2.37 -0.20 0.00 -0.13 0.00 0.00 55.73 57.77 1p2a s ARG 274 Cb 0.14 -2.89 -0.05 0.00 -1.56 0.00 0.00 34.95 30.59 1p2a s ARG 274 CO 0.85 -0.49 1.19 -1.50 -0.81 0.00 0.00 175.30 174.55 1p2a s ILE 275 N -1.17 2.81 0.38 4.11 2.07 0.10 -5.01 121.20 124.49 1p2a s ILE 275 Ca 0.54 0.53 -0.02 0.00 -1.41 0.00 0.00 60.65 60.29 1p2a s ILE 275 Cb -0.42 -3.23 -0.04 0.00 0.13 0.00 0.00 42.46 38.90 1p2a s ILE 275 CO 0.56 -0.08 0.62 -0.94 -1.91 0.00 0.00 174.94 173.19 1p2a s SER 276 N -1.54 6.30 0.14 4.50 1.04 -1.26 -4.87 113.70 118.00 1p2a s SER 276 Ca 0.73 0.62 -0.25 0.00 0.48 0.00 0.00 55.95 57.54 1p2a s SER 276 Cb -0.29 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 1p2a s SER 276 CO 0.33 -0.37 1.62 0.00 0.98 0.00 0.00 173.24 175.80 1p2a h ALA 277 N 0.69 -0.30 -0.31 5.32 0.00 -1.94 0.66 119.26 123.38 1p2a h ALA 277 Ca -0.49 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1p2a h ALA 277 Cb 1.21 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1p2a h ALA 277 CO 0.62 -0.75 -0.12 -0.22 0.00 0.00 0.00 179.25 178.78 1p2a h LYS 278 N -0.36 -0.05 0.00 0.00 1.63 -1.92 -0.79 116.57 115.08 1p2a h LYS 278 Ca 0.10 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1p2a h LYS 278 Cb 0.50 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1p2a h LYS 278 CO -0.32 -0.04 -0.32 0.00 -3.45 0.00 0.00 179.45 175.32 1p2a h ALA 279 N 1.22 1.25 -0.12 5.00 0.00 -1.89 -2.31 119.26 122.42 1p2a h ALA 279 Ca 0.16 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1p2a h ALA 279 Cb 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1p2a h ALA 279 CO -0.35 0.40 -0.22 0.00 0.00 0.00 0.00 179.25 179.08 1p2a h ALA 280 N 1.68 1.41 0.00 0.00 0.00 0.54 -2.18 119.26 120.71 1p2a h ALA 280 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1p2a h ALA 280 Cb 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1p2a h ALA 280 CO 0.04 0.41 -0.08 -0.07 0.00 0.00 0.00 179.25 179.55 1p2a h LEU 281 N 0.18 0.00 -1.00 0.00 3.38 -0.73 -2.08 115.31 115.06 1p2a h LEU 281 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1p2a h LEU 281 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1p2a h LEU 281 CO 0.03 0.08 -0.23 0.00 0.09 0.00 0.00 178.44 178.42 1p2a n ALA 282 N -2.31 3.02 -1.72 1.53 0.00 -0.83 -4.80 120.51 115.41 1p2a n ALA 282 Ca -0.02 -0.54 -0.40 0.00 0.00 0.00 0.00 53.44 52.48 1p2a n ALA 282 Cb 0.19 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.68 1p2a n ALA 282 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1p2a n HIS 283 N 0.06 2.26 0.11 0.00 -0.00 -0.78 -4.82 115.22 112.04 1p2a n HIS 283 Ca 0.13 0.48 0.20 0.00 -0.00 0.00 0.00 57.72 58.53 1p2a n HIS 283 Cb 0.43 -2.39 0.75 0.00 -0.00 0.00 0.00 29.99 28.78 1p2a n HIS 283 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1p2a h PRO 284 N 2.06 0.00 -0.43 1.57 0.11 -1.92 -1.54 132.00 131.85 1p2a h PRO 284 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1p2a h PRO 284 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1p2a h PRO 284 CO 0.60 0.00 0.35 0.35 -0.21 0.00 0.00 178.00 179.08 1p2a h PHE 285 N 0.00 0.00 -0.56 0.65 3.57 -1.88 -0.58 116.94 118.14 1p2a h PHE 285 Ca 0.18 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1p2a h PHE 285 Cb 1.04 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 1p2a h PHE 285 CO 0.00 0.00 0.09 1.19 -2.23 0.00 0.00 178.31 177.36 1p2a n PHE 286 N -4.18 1.98 -0.09 0.41 3.72 -0.58 -4.39 117.46 114.33 1p2a n PHE 286 Ca 0.07 -0.80 -0.13 0.00 -0.05 0.00 0.00 57.45 56.54 1p2a n PHE 286 Cb 0.54 -0.53 -0.04 0.00 -0.94 0.00 0.00 39.48 38.51 1p2a n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1p2a h GLN 287 N 3.12 0.69 -0.79 -1.08 4.15 -1.27 -3.13 115.11 116.79 1p2a h GLN 287 Ca 0.09 -0.36 -0.37 0.00 0.77 0.00 0.00 58.65 58.77 1p2a h GLN 287 Cb 1.94 0.01 -0.22 0.00 0.21 0.00 0.00 27.48 29.42 1p2a h GLN 287 CO 0.52 0.98 0.41 -0.40 -1.93 0.00 0.00 178.83 178.41 1p2a n ASP 288 N -4.28 3.72 -4.74 -0.69 5.75 -1.26 -5.00 116.55 110.05 1p2a n ASP 288 Ca -0.04 -3.55 -0.41 0.00 -0.01 0.00 0.00 54.79 50.78 1p2a n ASP 288 Cb 0.47 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 1p2a n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1p2a s VAL 289 N -3.22 3.28 0.42 2.12 0.11 -1.19 -5.02 120.40 116.91 1p2a s VAL 289 Ca 0.54 1.06 0.04 0.00 -2.93 0.00 0.00 61.98 60.69 1p2a s VAL 289 Cb 0.45 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 1p2a s VAL 289 CO 0.09 0.16 0.15 0.42 -3.33 0.00 0.00 175.10 172.59 1p2a s THR 290 N 0.11 0.49 -0.69 5.04 -4.23 -1.26 -5.07 115.64 110.04 1p2a s THR 290 Ca 0.56 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 1p2a s THR 290 Cb -0.36 -2.28 0.19 0.00 1.34 0.00 0.00 72.50 71.38 1p2a s THR 290 CO 0.38 0.00 0.54 1.17 -0.54 0.00 0.00 174.62 176.17 1p2a n LYS 291 N -0.95 1.94 -1.03 3.99 4.81 -1.26 -4.19 118.16 121.47 1p2a n LYS 291 Ca -0.06 -4.50 -0.31 0.00 -0.87 0.00 0.00 58.31 52.57 1p2a n LYS 291 Cb 0.64 -2.27 0.12 0.00 0.02 0.00 0.00 35.03 33.55 1p2a n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1p2a s PRO 292 N -1.64 1.68 -0.28 1.64 0.02 -1.26 -4.97 135.00 130.19 1p2a s PRO 292 Ca 0.28 1.30 -0.04 0.00 0.02 0.00 0.00 61.00 62.56 1p2a s PRO 292 Cb -0.00 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.72 1p2a s PRO 292 CO -0.14 -2.09 0.01 0.08 -0.33 0.00 0.00 177.00 174.54 1p2a s VAL 293 N -2.80 3.39 0.60 3.83 1.01 -1.26 -4.47 120.40 120.69 1p2a s VAL 293 Ca 0.63 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 1p2a s VAL 293 Cb -0.19 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1p2a s VAL 293 CO 0.57 0.09 1.22 -2.16 0.00 0.00 0.00 175.10 174.82 1p2a s PRO 294 N 1.39 2.91 -0.55 2.72 0.04 -1.26 -4.96 135.00 135.30 1p2a s PRO 294 Ca 0.00 1.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 1p2a s PRO 294 Cb -0.17 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.50 1p2a s PRO 294 CO -0.01 -1.26 0.81 -1.58 0.04 0.00 0.00 177.00 175.00 1p2a s HIS 295 N -1.57 2.89 -0.05 0.56 2.46 -1.26 -4.92 115.29 113.40 1p2a s HIS 295 Ca 0.78 -0.31 -0.03 0.00 0.47 0.00 0.00 55.06 55.97 1p2a s HIS 295 Cb -0.31 -3.88 -0.04 0.00 -0.13 0.00 0.00 32.58 28.22 1p2a s HIS 295 CO 0.34 -1.25 0.11 -0.51 -2.47 0.00 0.00 174.74 170.96 1p2a s LEU 296 N 3.39 4.12 -0.81 8.88 1.43 -1.26 -5.05 118.68 129.38 1p2a s LEU 296 Ca 0.23 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1p2a s LEU 296 Cb -0.16 -2.22 0.20 0.00 0.03 0.00 0.00 46.19 44.04 1p2a s LEU 296 CO 0.15 0.33 0.67 -0.60 0.23 0.00 0.00 176.35 177.13 1p2a s ARG 297 N -1.44 3.02 0.00 1.70 3.52 -1.26 -5.14 118.95 119.35 1p2a s ARG 297 Ca 0.20 -3.12 0.24 0.00 -0.13 0.00 0.00 55.73 52.92 1p2a s ARG 297 Cb -0.12 -3.84 1.42 0.00 -1.56 0.00 0.00 34.95 30.84 1p2a s ARG 297 CO 0.10 -1.25 1.78 1.28 -0.81 0.00 0.00 175.30 176.41