#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8x s LYS 2 N 0.00 4.26 0.38 2.12 2.20 -1.26 -5.02 119.74 122.42 3i8x s LYS 2 Ca 0.00 1.90 0.02 0.00 -0.36 0.00 0.00 55.97 57.52 3i8x s LYS 2 Cb 0.00 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3i8x s LYS 2 CO 0.00 -0.63 0.57 0.15 -0.36 0.00 0.00 175.35 175.07 3i8x s LYS 3 N 2.89 3.25 -0.15 4.03 -0.14 -1.26 -4.96 119.74 123.41 3i8x s LYS 3 Ca 0.62 -0.55 -0.24 0.00 -1.36 0.00 0.00 55.97 54.45 3i8x s LYS 3 Cb -0.29 -2.67 -0.02 0.00 -1.68 0.00 0.00 37.83 33.17 3i8x s LYS 3 CO 0.24 -0.01 0.75 -1.17 -0.76 0.00 0.00 175.35 174.40 3i8x s LEU 4 N -4.36 4.21 -0.25 3.17 2.96 0.34 -4.88 118.68 119.86 3i8x s LEU 4 Ca 0.44 1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 55.37 3i8x s LEU 4 Cb -0.10 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.44 3i8x s LEU 4 CO 0.35 -0.29 0.09 -0.89 -1.32 0.00 0.00 176.35 174.30 3i8x s THR 5 N 1.71 4.54 -0.09 3.68 2.01 -1.26 -0.43 115.64 125.79 3i8x s THR 5 Ca 0.36 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.31 3i8x s THR 5 Cb -0.17 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 3i8x s THR 5 CO 0.14 0.33 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.54 3i8x s ILE 6 N 1.58 2.19 -0.05 1.82 1.01 -0.45 0.39 121.20 127.69 3i8x s ILE 6 Ca 0.06 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 3i8x s ILE 6 Cb -0.15 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 3i8x s ILE 6 CO 0.05 0.56 0.47 -0.83 0.00 0.00 0.00 174.94 175.19 3i8x s GLY 7 N 0.23 2.47 -0.28 6.18 0.00 -0.29 -0.74 107.32 114.89 3i8x s GLY 7 Ca -0.15 -0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.34 3i8x s GLY 7 CO 0.07 0.53 0.08 -2.27 0.00 0.00 0.00 173.10 171.51 3i8x s LEU 8 N -0.21 3.71 0.01 0.66 2.96 0.10 -0.51 118.68 125.40 3i8x s LEU 8 Ca 0.26 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3i8x s LEU 8 Cb -0.16 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 3i8x s LEU 8 CO 0.13 -0.13 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.47 3i8x s ILE 9 N 1.56 0.36 -0.08 6.68 2.07 -0.54 -1.44 121.20 129.80 3i8x s ILE 9 Ca 0.04 -0.52 -0.32 0.00 -1.41 0.00 0.00 60.65 58.44 3i8x s ILE 9 Cb -0.16 -0.37 0.13 0.00 0.13 0.00 0.00 42.46 42.19 3i8x s ILE 9 CO 0.03 -0.11 1.40 -0.83 -1.91 0.00 0.00 174.94 173.52 3i8x s GLY 10 N -0.68 -0.42 0.96 1.50 0.00 -1.26 -0.60 107.32 106.82 3i8x s GLY 10 Ca -0.04 0.72 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 3i8x s GLY 10 CO -0.00 1.78 1.09 -1.31 0.00 0.00 0.00 173.10 174.66 3i8x s ASN 11 N -3.23 2.81 0.57 1.64 -0.87 -1.21 -1.88 114.94 112.77 3i8x s ASN 11 Ca 0.19 1.64 -0.20 0.00 -1.57 0.00 0.00 52.86 52.92 3i8x s ASN 11 Cb 0.05 -2.29 -0.04 0.00 -0.02 0.00 0.00 41.25 38.96 3i8x s ASN 11 CO -0.05 -3.08 1.30 -2.84 -2.57 0.00 0.00 177.10 169.85 3i8x s PRO 12 N -4.77 3.01 -1.43 -0.60 0.02 -1.26 -3.46 135.00 126.51 3i8x s PRO 12 Ca 0.65 2.08 -0.06 0.00 0.02 0.00 0.00 61.00 63.69 3i8x s PRO 12 Cb -0.20 -2.10 0.04 0.00 0.02 0.00 0.00 34.50 32.25 3i8x s PRO 12 CO 0.59 -1.25 0.77 -1.71 -0.33 0.00 0.00 177.00 175.07 3i8x n ASN 13 N -1.31 -2.51 -0.28 2.53 5.15 -1.26 -4.91 115.26 112.66 3i8x n ASN 13 Ca 0.12 -0.84 0.07 0.00 -0.60 0.00 0.00 54.58 53.33 3i8x n ASN 13 Cb 0.47 -3.77 -0.02 0.00 -0.53 0.00 0.00 39.78 35.94 3i8x n ASN 13 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3i8x n SER 14 N -2.94 1.41 0.00 1.20 3.41 -1.22 -4.98 113.62 110.49 3i8x n SER 14 Ca -0.15 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3i8x n SER 14 Cb 0.61 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 3i8x n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8x n GLY 15 N 1.15 1.10 0.08 5.00 0.00 -1.26 -4.63 105.19 106.64 3i8x n GLY 15 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3i8x n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i8x h LYS 16 N 0.83 -0.07 -0.28 1.61 3.64 -1.94 0.27 116.57 120.63 3i8x h LYS 16 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3i8x h LYS 16 Cb 0.00 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 3i8x h LYS 16 CO 0.00 0.38 -0.06 1.15 -2.27 0.00 0.00 179.45 178.65 3i8x h THR 17 N -0.56 0.73 -0.51 1.00 2.02 -1.98 0.16 112.91 113.77 3i8x h THR 17 Ca -0.01 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 3i8x h THR 17 Cb 0.49 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3i8x h THR 17 CO 0.01 0.00 0.32 0.74 0.37 0.00 0.00 175.52 176.96 3i8x h THR 18 N 0.01 1.08 -0.31 3.16 2.02 -1.94 0.42 112.91 117.35 3i8x h THR 18 Ca 0.13 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3i8x h THR 18 Cb 0.20 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3i8x h THR 18 CO -0.28 0.12 0.16 0.25 0.37 0.00 0.00 175.52 176.13 3i8x h LEU 19 N 0.63 0.40 -0.46 2.58 5.85 -0.04 -1.55 115.31 122.72 3i8x h LEU 19 Ca 0.20 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3i8x h LEU 19 Cb -0.01 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3i8x h LEU 19 CO -0.07 0.39 0.13 0.15 -0.34 0.00 0.00 178.44 178.70 3i8x h PHE 20 N 0.37 0.22 -0.46 1.25 3.57 -0.38 -1.88 116.94 119.63 3i8x h PHE 20 Ca 0.11 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 3i8x h PHE 20 Cb 0.10 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3i8x h PHE 20 CO -0.02 0.05 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.09 3i8x h ASN 21 N 0.28 0.90 0.28 0.41 2.35 -0.74 -0.92 115.58 118.14 3i8x h ASN 21 Ca 0.23 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 3i8x h ASN 21 Cb 0.26 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3i8x h ASN 21 CO -0.26 1.05 -0.12 1.56 -1.65 0.00 0.00 177.43 178.01 3i8x h GLN 22 N 0.73 0.00 0.10 0.81 1.08 -1.08 -0.20 115.11 116.55 3i8x h GLN 22 Ca 0.12 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.05 3i8x h GLN 22 Cb 0.66 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 3i8x h GLN 22 CO 0.05 0.12 -1.39 -0.07 -0.95 0.00 0.00 178.83 176.59 3i8x h LEU 23 N 0.00 0.33 0.00 1.46 3.38 -0.87 -3.41 115.31 116.20 3i8x h LEU 23 Ca -0.00 -0.83 -0.17 0.00 0.09 0.00 0.00 57.88 56.97 3i8x h LEU 23 Cb 0.29 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3i8x h LEU 23 CO 0.02 1.60 -2.02 0.35 0.09 0.00 0.00 178.44 178.48 3i8x n THR 24 N -3.97 0.77 -0.88 0.22 -2.24 -0.39 -4.62 114.28 103.16 3i8x n THR 24 Ca -0.26 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3i8x n THR 24 Cb 0.87 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3i8x n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8x n GLY 25 N 1.47 3.21 0.09 3.38 0.00 -0.09 -1.31 105.19 111.94 3i8x n GLY 25 Ca -0.16 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3i8x n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8x n SER 26 N 4.48 0.54 -3.62 1.61 3.41 -1.26 -4.34 113.62 114.45 3i8x n SER 26 Ca 0.00 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.80 3i8x n SER 26 Cb 0.00 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.22 3i8x n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i8x n ARG 27 N -2.06 3.77 -4.03 4.33 1.74 -0.43 -4.86 116.66 115.13 3i8x n ARG 27 Ca 0.04 -3.06 -0.10 0.00 -0.77 0.00 0.00 57.85 53.96 3i8x n ARG 27 Cb 0.30 -2.89 -0.11 0.00 -1.02 0.00 0.00 32.46 28.74 3i8x n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3i8x s GLN 28 N 0.85 0.43 0.15 5.56 -2.07 -1.26 -1.11 119.66 122.22 3i8x s GLN 28 Ca 0.51 -0.76 0.09 0.00 -1.82 0.00 0.00 55.36 53.39 3i8x s GLN 28 Cb 0.15 -0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 3i8x s GLN 28 CO -0.05 -0.03 -0.21 -0.98 -1.32 0.00 0.00 175.29 172.70 3i8x s ARG 29 N -1.90 1.31 -0.09 9.60 1.70 0.15 -4.96 118.95 124.76 3i8x s ARG 29 Ca -0.10 -1.37 0.04 0.00 -0.47 0.00 0.00 55.73 53.83 3i8x s ARG 29 Cb -0.07 -1.53 0.00 0.00 -0.57 0.00 0.00 34.95 32.78 3i8x s ARG 29 CO -0.02 0.33 -0.21 0.08 -1.08 0.00 0.00 175.30 174.40 3i8x s VAL 30 N -1.63 1.82 0.00 4.99 1.01 -1.26 -1.19 120.40 124.14 3i8x s VAL 30 Ca 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3i8x s VAL 30 Cb -0.08 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3i8x s VAL 30 CO 0.07 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3i8x n GLY 31 N 3.53 5.25 3.16 4.51 0.00 0.15 -5.01 105.19 116.78 3i8x n GLY 31 Ca -0.20 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 3i8x n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8x s ASN 32 N 1.10 1.51 0.38 1.61 4.22 -1.26 -0.73 114.94 121.78 3i8x s ASN 32 Ca 0.00 -0.68 -0.27 0.00 -2.14 0.00 0.00 52.86 49.77 3i8x s ASN 32 Cb 0.00 -0.02 -0.10 0.00 1.28 0.00 0.00 41.25 42.41 3i8x s ASN 32 CO 0.00 -0.15 1.40 0.26 -2.04 0.00 0.00 177.10 176.57 3i8x s TRP 33 N -1.69 2.72 -0.29 1.54 0.52 0.00 -4.57 118.94 117.17 3i8x s TRP 33 Ca -0.00 1.29 -0.33 0.00 0.02 0.00 0.00 56.10 57.08 3i8x s TRP 33 Cb -0.08 -3.86 -0.09 0.00 -1.15 0.00 0.00 33.47 28.29 3i8x s TRP 33 CO 0.01 -2.55 2.19 0.00 0.02 0.00 0.00 176.95 176.62 3i8x n ALA 34 N 0.38 1.33 -0.45 0.98 0.00 -1.26 -2.16 120.51 119.34 3i8x n ALA 34 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i8x n ALA 34 Cb 0.41 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.18 3i8x n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8x n GLY 35 N 6.16 0.76 3.34 0.00 0.00 -1.26 -5.05 105.19 109.14 3i8x n GLY 35 Ca 0.36 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3i8x n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8x s VAL 36 N -2.00 0.05 -2.65 1.61 -7.23 -0.92 -5.06 120.40 104.21 3i8x s VAL 36 Ca 0.00 -1.51 0.26 0.00 -1.81 0.00 0.00 61.98 58.93 3i8x s VAL 36 Cb 0.00 -1.99 0.43 0.00 0.56 0.00 0.00 36.38 35.38 3i8x s VAL 36 CO 0.00 -0.23 1.57 0.35 -0.31 0.00 0.00 175.10 176.48 3i8x n THR 37 N -0.23 0.02 -1.85 5.32 -2.24 -1.26 -4.20 114.28 109.84 3i8x n THR 37 Ca -0.05 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 3i8x n THR 37 Cb 0.63 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 3i8x n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i8x s VAL 38 N -1.98 2.46 0.12 2.28 1.01 -1.26 -4.88 120.40 118.16 3i8x s VAL 38 Ca 0.35 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 3i8x s VAL 38 Cb 0.21 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 3i8x s VAL 38 CO 0.32 0.02 1.65 -0.70 0.00 0.00 0.00 175.10 176.39 3i8x s GLU 39 N 1.41 4.19 -0.18 2.72 2.12 -1.26 -0.82 118.70 126.89 3i8x s GLU 39 Ca 0.73 2.40 -0.07 0.00 0.36 0.00 0.00 54.97 58.39 3i8x s GLU 39 Cb -0.45 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 3i8x s GLU 39 CO 0.32 -0.70 0.05 0.50 -0.54 0.00 0.00 175.26 174.88 3i8x s ARG 40 N 2.02 3.92 -0.05 4.30 3.52 0.09 -4.67 118.95 128.08 3i8x s ARG 40 Ca 0.74 -0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 55.96 3i8x s ARG 40 Cb -0.43 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 29.83 3i8x s ARG 40 CO 0.32 0.27 -0.00 0.21 -0.81 0.00 0.00 175.30 175.29 3i8x s LYS 41 N 0.38 0.49 0.08 5.12 2.20 -1.26 0.32 119.74 127.07 3i8x s LYS 41 Ca 0.02 0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.64 3i8x s LYS 41 Cb -0.13 -0.76 -0.01 0.00 -1.51 0.00 0.00 37.83 35.43 3i8x s LYS 41 CO 0.01 -0.22 0.16 -1.83 -0.36 0.00 0.00 175.35 173.11 3i8x s GLU 42 N 1.54 0.82 0.00 4.03 -1.05 -0.33 -1.29 118.70 122.41 3i8x s GLU 42 Ca -0.02 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 3i8x s GLU 42 Cb -0.13 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3i8x s GLU 42 CO -0.03 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.34 3i8x n GLY 43 N -0.04 2.89 3.02 -3.83 0.00 -0.42 0.34 105.19 107.14 3i8x n GLY 43 Ca -0.15 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 3i8x n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8x s GLN 44 N -1.68 0.46 0.18 1.61 -1.52 -0.26 -1.09 119.66 117.36 3i8x s GLN 44 Ca 0.00 -0.57 -0.24 0.00 -1.95 0.00 0.00 55.36 52.61 3i8x s GLN 44 Cb 0.00 -0.28 0.05 0.00 -0.22 0.00 0.00 33.01 32.56 3i8x s GLN 44 CO 0.00 0.06 0.82 -0.59 -0.25 0.00 0.00 175.29 175.32 3i8x s PHE 45 N -1.00 -0.23 0.17 0.91 -0.71 -1.07 -4.30 117.98 111.74 3i8x s PHE 45 Ca -0.07 -0.10 0.11 0.00 -1.04 0.00 0.00 56.93 55.83 3i8x s PHE 45 Cb -0.08 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 3i8x s PHE 45 CO 0.00 -0.95 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.58 3i8x s SER 46 N -2.85 3.51 0.00 1.98 0.01 -1.26 -1.00 113.70 114.08 3i8x s SER 46 Ca 0.09 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.57 3i8x s SER 46 Cb -0.03 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3i8x s SER 46 CO 0.01 0.14 0.00 0.35 0.41 0.00 0.00 173.24 174.15 3i8x n THR 47 N 0.48 0.00 -0.04 1.44 -2.24 -0.28 -4.99 114.28 108.65 3i8x n THR 47 Ca -0.14 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 3i8x n THR 47 Cb 0.55 -0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 3i8x n THR 47 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i8x h THR 48 N 0.42 1.15 0.00 4.28 2.02 -2.00 -3.34 112.91 115.43 3i8x h THR 48 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3i8x h THR 48 Cb 0.00 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3i8x h THR 48 CO 0.00 0.14 -1.80 0.47 0.37 0.00 0.00 175.52 174.70 3i8x n ASP 49 N -4.88 0.38 -4.19 4.18 8.00 -1.26 -5.03 116.55 113.75 3i8x n ASP 49 Ca -0.05 -0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.09 3i8x n ASP 49 Cb 0.11 1.81 -0.14 0.00 -0.02 0.00 0.00 41.12 42.88 3i8x n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3i8x s HIS 50 N -3.35 1.47 -0.24 1.24 3.76 -1.26 -5.11 115.29 111.80 3i8x s HIS 50 Ca -0.05 -0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 3i8x s HIS 50 Cb 0.13 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 3i8x s HIS 50 CO 0.85 0.06 0.14 -0.65 -0.85 0.00 0.00 174.74 174.29 3i8x s GLN 51 N -1.14 3.95 -0.06 1.40 -1.52 -1.26 -1.13 119.66 119.90 3i8x s GLN 51 Ca 0.04 -0.33 0.04 0.00 -1.95 0.00 0.00 55.36 53.16 3i8x s GLN 51 Cb -0.08 -3.48 -0.02 0.00 -0.22 0.00 0.00 33.01 29.20 3i8x s GLN 51 CO 0.01 -0.02 -0.17 0.08 -0.25 0.00 0.00 175.29 174.95 3i8x s VAL 52 N 1.24 2.79 -0.29 1.09 1.01 -0.17 -0.51 120.40 125.57 3i8x s VAL 52 Ca 0.06 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 3i8x s VAL 52 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3i8x s VAL 52 CO 0.05 0.58 0.14 -0.89 0.00 0.00 0.00 175.10 174.98 3i8x s THR 53 N -0.51 4.73 -0.33 3.92 2.01 0.43 -2.61 115.64 123.27 3i8x s THR 53 Ca 0.07 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 3i8x s THR 53 Cb -0.12 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 3i8x s THR 53 CO 0.01 0.20 0.22 -0.22 -0.69 0.00 0.00 174.62 174.14 3i8x s LEU 54 N 1.66 4.40 -0.38 4.42 2.96 -0.25 -1.35 118.68 130.13 3i8x s LEU 54 Ca 0.06 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.44 3i8x s LEU 54 Cb -0.16 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.42 3i8x s LEU 54 CO 0.07 -0.21 0.27 -0.69 -1.32 0.00 0.00 176.35 174.48 3i8x s VAL 55 N 1.71 5.25 0.02 1.68 1.01 0.08 -1.31 120.40 128.85 3i8x s VAL 55 Ca 0.06 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3i8x s VAL 55 Cb -0.17 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 3i8x s VAL 55 CO 0.10 -0.19 1.34 -0.62 0.00 0.00 0.00 175.10 175.73 3i8x s ASP 56 N 1.69 6.91 0.12 3.32 2.15 -0.41 -0.72 116.67 129.72 3i8x s ASP 56 Ca 0.05 2.10 0.05 0.00 0.43 0.00 0.00 52.55 55.18 3i8x s ASP 56 Cb -0.18 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 3i8x s ASP 56 CO 0.10 -0.65 0.05 -0.76 -0.17 0.00 0.00 175.17 173.74 3i8x s LEU 57 N 1.94 3.62 0.52 -1.34 1.43 -0.52 -4.36 118.68 119.96 3i8x s LEU 57 Ca 0.62 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.35 3i8x s LEU 57 Cb -0.31 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 3i8x s LEU 57 CO 0.27 0.14 1.30 -2.84 0.23 0.00 0.00 176.35 175.45 3i8x s PRO 58 N -2.60 3.34 0.32 1.29 0.02 -1.26 -4.80 135.00 131.31 3i8x s PRO 58 Ca 0.28 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 3i8x s PRO 58 Cb -0.11 -2.31 -0.11 0.00 0.02 0.00 0.00 34.50 31.99 3i8x s PRO 58 CO 0.21 -0.98 1.57 0.20 -0.33 0.00 0.00 177.00 177.66 3i8x s GLY 59 N -1.07 2.35 -0.12 0.52 0.00 -1.26 -4.77 107.32 102.96 3i8x s GLY 59 Ca 0.69 1.58 -0.19 0.00 0.00 0.00 0.00 44.72 46.80 3i8x s GLY 59 CO 0.44 2.48 0.48 -1.08 0.00 0.00 0.00 173.10 175.42 3i8x s THR 60 N -0.32 0.01 0.15 0.90 -1.32 -0.79 -4.63 115.64 109.64 3i8x s THR 60 Ca 0.60 -0.11 0.14 0.00 -1.21 0.00 0.00 61.69 61.11 3i8x s THR 60 Cb -0.48 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 3i8x s THR 60 CO 0.52 -0.06 1.58 0.22 -2.21 0.00 0.00 174.62 174.67 3i8x h TYR 61 N 4.61 0.00 -2.81 9.09 3.20 -1.95 -3.21 116.97 125.91 3i8x h TYR 61 Ca -0.28 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.69 3i8x h TYR 61 Cb 1.17 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 3i8x h TYR 61 CO 0.42 0.57 0.31 -1.54 -1.64 0.00 0.00 178.16 176.29 3i8x s SER 62 N -6.62 -0.21 -0.35 -2.11 1.04 -1.26 -3.35 113.70 100.83 3i8x s SER 62 Ca 0.00 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 55.92 3i8x s SER 62 Cb 0.11 0.67 0.72 0.00 0.10 0.00 0.00 66.02 67.61 3i8x s SER 62 CO 0.74 -1.24 1.82 0.18 0.98 0.00 0.00 173.24 175.72 3i8x n LEU 63 N -0.47 6.16 -4.51 2.42 4.77 -1.26 -4.81 117.00 119.30 3i8x n LEU 63 Ca -0.05 -3.35 -0.34 0.00 -0.03 0.00 0.00 56.01 52.25 3i8x n LEU 63 Cb 0.60 -0.76 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 3i8x n LEU 63 CO 0.16 0.89 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.86 3i8x s THR 64 N -3.09 3.87 -0.08 -5.08 2.01 -1.26 -4.90 115.64 107.11 3i8x s THR 64 Ca 0.55 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.22 3i8x s THR 64 Cb 0.45 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 3i8x s THR 64 CO 0.12 0.51 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.45 3i8x s THR 65 N 0.23 2.33 0.00 -0.82 2.01 -1.26 -4.98 115.64 113.16 3i8x s THR 65 Ca -0.03 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 3i8x s THR 65 Cb -0.14 -1.89 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 3i8x s THR 65 CO 0.03 0.56 0.99 0.00 -0.69 0.00 0.00 174.62 175.51 3i8x n GLN 69 N 3.15 0.00 -2.00 4.92 6.02 -1.26 -4.47 117.38 123.75 3i8x n GLN 69 Ca -0.18 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.00 55.86 3i8x n GLN 69 Cb 0.52 -1.94 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3i8x n GLN 69 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i8x s THR 70 N 4.86 3.50 0.74 5.09 2.01 -1.26 -4.94 115.64 125.65 3i8x s THR 70 Ca 0.18 0.67 -0.16 0.00 0.31 0.00 0.00 61.69 62.69 3i8x s THR 70 Cb 0.04 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 3i8x s THR 70 CO 0.09 -0.05 0.40 -1.54 -0.69 0.00 0.00 174.62 172.83 3i8x n SER 71 N 6.85 -1.71 -0.00 3.53 3.41 -1.26 -4.86 113.62 119.57 3i8x n SER 71 Ca 0.17 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 59.23 3i8x n SER 71 Cb 0.42 -1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.17 3i8x n SER 71 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i8x h LEU 72 N -0.49 -0.19 -0.90 1.04 3.38 -1.99 -3.00 115.31 113.15 3i8x h LEU 72 Ca -0.45 0.05 0.19 0.00 0.09 0.00 0.00 57.88 57.76 3i8x h LEU 72 Cb 1.35 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 42.03 3i8x h LEU 72 CO 0.41 -0.08 -0.19 0.44 0.09 0.00 0.00 178.44 179.11 3i8x h ASP 73 N -0.05 -0.77 0.04 -0.43 5.19 -1.91 0.52 116.42 119.00 3i8x h ASP 73 Ca 0.06 0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 3i8x h ASP 73 Cb 0.15 0.54 0.00 0.00 0.18 0.00 0.00 39.33 40.20 3i8x h ASP 73 CO -0.15 -0.30 -0.02 -0.08 -3.12 0.00 0.00 179.24 175.58 3i8x h GLU 74 N 0.01 -0.05 -0.71 3.56 4.22 -1.81 0.75 114.58 120.56 3i8x h GLU 74 Ca 0.45 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.84 3i8x h GLU 74 Cb 0.72 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3i8x h GLU 74 CO -0.91 0.12 0.23 1.96 -2.18 0.00 0.00 179.01 178.23 3i8x h GLN 75 N -0.21 1.08 -0.42 1.92 4.20 -1.03 -1.13 115.11 119.53 3i8x h GLN 75 Ca -0.01 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.49 3i8x h GLN 75 Cb 0.19 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3i8x h GLN 75 CO 0.01 0.92 0.26 0.82 -0.67 0.00 0.00 178.83 180.17 3i8x h ILE 76 N 1.04 1.08 -0.31 2.54 2.04 0.05 0.26 117.51 124.21 3i8x h ILE 76 Ca 0.23 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 3i8x h ILE 76 Cb 0.28 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3i8x h ILE 76 CO -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 178.15 178.14 3i8x h ALA 77 N 1.16 0.43 -0.20 1.87 0.00 -0.67 -2.12 119.26 119.73 3i8x h ALA 77 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3i8x h ALA 77 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i8x h ALA 77 CO -0.05 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.41 3i8x h HIS 79 N 0.11 0.31 -0.08 0.00 6.17 -0.96 -0.82 115.15 119.88 3i8x h HIS 79 Ca 0.05 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.18 3i8x h HIS 79 Cb 0.53 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.38 3i8x h HIS 79 CO 0.06 0.09 -0.05 -0.92 0.71 0.00 0.00 177.93 177.82 3i8x h TYR 80 N 0.36 -0.11 -0.80 5.26 3.20 -1.19 -1.93 116.97 121.75 3i8x h TYR 80 Ca 0.25 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.19 3i8x h TYR 80 Cb 0.28 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 3i8x h TYR 80 CO -0.17 -0.08 0.48 0.82 -1.64 0.00 0.00 178.16 177.58 3i8x h ILE 81 N -0.05 1.01 0.00 1.81 1.08 -1.04 -2.08 117.51 118.25 3i8x h ILE 81 Ca 0.05 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3i8x h ILE 81 Cb 0.12 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3i8x h ILE 81 CO -0.11 0.16 0.00 0.18 -0.69 0.00 0.00 178.15 177.69 3i8x n LEU 82 N -4.68 0.50 0.17 1.44 4.32 -0.34 -3.71 117.00 114.70 3i8x n LEU 82 Ca 0.11 0.58 0.01 0.00 -0.02 0.00 0.00 56.01 56.70 3i8x n LEU 82 Cb 0.18 -0.47 0.28 0.00 -1.62 0.00 0.00 43.42 41.80 3i8x n LEU 82 CO 0.30 -0.29 0.62 0.77 -1.22 0.00 0.00 177.39 177.57 3i8x h SER 83 N 0.00 0.00 0.00 -1.43 4.64 -0.60 -3.47 113.55 112.68 3i8x h SER 83 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i8x h SER 83 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3i8x h SER 83 CO 0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 3i8x n GLY 84 N -0.07 0.66 0.27 -0.77 0.00 -1.24 -4.96 105.19 99.07 3i8x n GLY 84 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3i8x n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i8x h ASP 85 N 0.00 0.98 -3.73 1.61 3.32 -1.87 -3.44 116.42 113.28 3i8x h ASP 85 Ca 0.00 -0.42 -0.50 0.00 0.02 0.00 0.00 57.03 56.13 3i8x h ASP 85 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3i8x h ASP 85 CO 0.00 1.22 0.39 0.00 -1.72 0.00 0.00 179.24 179.12 3i8x s ALA 86 N -4.46 3.35 -0.18 3.45 0.00 -1.26 -4.78 121.76 117.87 3i8x s ALA 86 Ca -0.11 0.69 0.17 0.00 0.00 0.00 0.00 51.96 52.71 3i8x s ALA 86 Cb 0.12 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 20.00 3i8x s ALA 86 CO 0.87 0.08 1.20 -0.44 0.00 0.00 0.00 175.76 177.47 3i8x h ASP 87 N 4.28 0.00 -5.13 0.00 3.32 -0.36 -3.48 116.42 115.05 3i8x h ASP 87 Ca -0.45 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.72 3i8x h ASP 87 Cb 1.20 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 3i8x h ASP 87 CO 0.68 0.41 0.36 -1.48 -1.72 0.00 0.00 179.24 177.50 3i8x s LEU 88 N -6.06 -0.24 0.08 1.55 2.34 -1.10 -4.54 118.68 110.70 3i8x s LEU 88 Ca 0.01 -0.46 0.09 0.00 0.06 0.00 0.00 54.13 53.84 3i8x s LEU 88 Cb 0.08 2.43 -0.03 0.00 -0.56 0.00 0.00 46.19 48.10 3i8x s LEU 88 CO 0.77 -1.09 -0.24 -0.76 -1.06 0.00 0.00 176.35 173.96 3i8x s LEU 89 N -2.90 2.24 -0.28 1.48 1.43 -0.37 -1.14 118.68 119.13 3i8x s LEU 89 Ca 0.11 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3i8x s LEU 89 Cb -0.03 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.09 3i8x s LEU 89 CO 0.03 0.18 0.01 -0.63 0.23 0.00 0.00 176.35 176.17 3i8x s ILE 90 N -0.95 3.36 -0.49 -0.59 1.01 0.33 -1.27 121.20 122.60 3i8x s ILE 90 Ca 0.10 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 3i8x s ILE 90 Cb -0.10 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.67 3i8x s ILE 90 CO 0.04 0.08 0.57 0.21 0.00 0.00 0.00 174.94 175.84 3i8x s ASN 91 N 1.38 6.22 -0.33 3.58 2.47 -0.16 -1.47 114.94 126.62 3i8x s ASN 91 Ca 0.00 -0.91 -0.25 0.00 0.42 0.00 0.00 52.86 52.12 3i8x s ASN 91 Cb -0.17 -2.27 0.01 0.00 -1.45 0.00 0.00 41.25 37.37 3i8x s ASN 91 CO -0.01 -0.82 0.89 -0.69 -3.72 0.00 0.00 177.10 172.75 3i8x s VAL 92 N 2.44 4.67 -0.09 -5.21 1.01 0.23 -0.12 120.40 123.33 3i8x s VAL 92 Ca 0.14 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.41 3i8x s VAL 92 Cb -0.19 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3i8x s VAL 92 CO 0.12 -0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 173.96 3i8x s VAL 93 N 3.27 2.78 -0.40 2.92 1.01 0.40 -4.15 120.40 126.23 3i8x s VAL 93 Ca 0.37 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 3i8x s VAL 93 Cb -0.13 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3i8x s VAL 93 CO 0.15 0.56 0.73 -0.62 0.00 0.00 0.00 175.10 175.92 3i8x s ASP 94 N -0.06 6.45 0.50 3.32 2.15 -1.26 0.53 116.67 128.30 3i8x s ASP 94 Ca -0.04 0.08 0.33 0.00 0.43 0.00 0.00 52.55 53.35 3i8x s ASP 94 Cb -0.14 -2.37 1.65 0.00 -0.30 0.00 0.00 42.92 41.76 3i8x s ASP 94 CO 0.04 -0.77 2.01 0.00 -0.17 0.00 0.00 175.17 176.29 3i8x h ALA 95 N 8.68 1.00 0.00 3.66 0.00 -0.85 -2.57 119.26 129.19 3i8x h ALA 95 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i8x h ALA 95 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i8x h ALA 95 CO 0.91 0.00 -0.19 -1.13 0.00 0.00 0.00 179.25 178.83 3i8x n SER 96 N -2.77 0.43 -3.19 0.00 3.41 -1.26 -3.88 113.62 106.37 3i8x n SER 96 Ca -0.01 0.33 -0.19 0.00 -0.26 0.00 0.00 58.87 58.74 3i8x n SER 96 Cb 0.15 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3i8x n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i8x n ASN 97 N -1.82 0.85 -0.05 4.04 3.02 -0.97 -4.97 115.26 115.36 3i8x n ASN 97 Ca 0.06 -3.00 -0.11 0.00 -0.03 0.00 0.00 54.58 51.50 3i8x n ASN 97 Cb 0.38 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.88 3i8x n ASN 97 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3i8x h LEU 98 N 3.09 0.28 -0.37 3.41 5.85 -1.66 -2.31 115.31 123.60 3i8x h LEU 98 Ca 0.10 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3i8x h LEU 98 Cb 0.95 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3i8x h LEU 98 CO 0.50 0.49 0.04 -0.08 -0.34 0.00 0.00 178.44 179.05 3i8x h GLU 99 N 0.06 0.63 -0.78 1.25 4.81 -1.93 -0.16 114.58 118.46 3i8x h GLU 99 Ca 0.05 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3i8x h GLU 99 Cb 0.33 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3i8x h GLU 99 CO 0.01 0.71 0.50 -0.09 -0.73 0.00 0.00 179.01 179.40 3i8x h ARG 100 N 0.46 0.94 0.00 1.92 2.43 -1.97 -3.22 114.38 114.95 3i8x h ARG 100 Ca 0.11 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3i8x h ARG 100 Cb 0.40 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3i8x h ARG 100 CO 0.01 0.62 -0.52 -0.91 -1.51 0.00 0.00 179.97 177.67 3i8x h ASN 101 N 0.97 0.00 0.74 -3.80 -0.26 -0.76 -3.13 115.58 109.33 3i8x h ASN 101 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 3i8x h ASN 101 Cb 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3i8x h ASN 101 CO -0.11 0.52 0.00 0.18 -1.06 0.00 0.00 177.43 176.96 3i8x n LEU 102 N -3.61 0.37 -0.02 1.61 4.77 -0.14 -3.25 117.00 116.72 3i8x n LEU 102 Ca -0.00 0.58 -0.10 0.00 -0.03 0.00 0.00 56.01 56.46 3i8x n LEU 102 Cb 0.59 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3i8x n LEU 102 CO 0.40 -0.36 0.90 0.22 -1.33 0.00 0.00 177.39 177.22 3i8x h TYR 103 N 0.00 0.08 -0.46 -1.77 3.20 -1.64 -1.62 116.97 114.76 3i8x h TYR 103 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3i8x h TYR 103 Cb 0.37 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3i8x h TYR 103 CO 0.00 0.04 0.21 1.25 -1.64 0.00 0.00 178.16 178.02 3i8x h LEU 104 N 0.11 0.61 -0.52 2.82 5.85 -1.55 -2.85 115.31 119.79 3i8x h LEU 104 Ca 0.06 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.73 3i8x h LEU 104 Cb 0.04 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3i8x h LEU 104 CO -0.07 0.58 0.13 0.74 -0.34 0.00 0.00 178.44 179.49 3i8x h THR 105 N 0.60 0.75 -0.79 1.05 2.02 -1.53 -2.21 112.91 112.79 3i8x h THR 105 Ca 0.16 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3i8x h THR 105 Cb 0.14 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3i8x h THR 105 CO -0.02 0.05 0.39 -0.07 0.37 0.00 0.00 175.52 176.25 3i8x h LEU 106 N 0.28 1.02 -0.68 2.58 4.07 -1.21 -0.69 115.31 120.69 3i8x h LEU 106 Ca 0.26 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3i8x h LEU 106 Cb 0.33 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3i8x h LEU 106 CO -0.31 0.85 0.43 1.56 -1.08 0.00 0.00 178.44 179.90 3i8x h GLN 107 N 1.12 0.91 -0.46 1.13 4.20 -1.18 0.83 115.11 121.67 3i8x h GLN 107 Ca 0.28 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 3i8x h GLN 107 Cb 0.09 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3i8x h GLN 107 CO -0.04 0.62 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.65 3i8x h LEU 108 N 0.92 0.81 -0.84 1.46 3.38 -0.94 -2.81 115.31 117.29 3i8x h LEU 108 Ca 0.25 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3i8x h LEU 108 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3i8x h LEU 108 CO -0.05 0.93 -0.19 -0.07 0.09 0.00 0.00 178.44 179.16 3i8x h LEU 109 N 0.67 0.65 -1.17 1.67 3.38 -0.89 -2.88 115.31 116.74 3i8x h LEU 109 Ca 0.13 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3i8x h LEU 109 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3i8x h LEU 109 CO 0.03 0.84 -0.34 -0.33 0.09 0.00 0.00 178.44 178.73 3i8x h GLU 110 N 0.58 0.00 0.00 1.13 5.08 -0.77 -2.60 114.58 118.00 3i8x h GLU 110 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3i8x h GLU 110 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3i8x h GLU 110 CO 0.05 0.34 0.00 -0.07 -1.00 0.00 0.00 179.01 178.33 3i8x h LEU 111 N 0.00 0.00 0.08 1.33 3.38 -1.30 -3.44 115.31 115.36 3i8x h LEU 111 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3i8x h LEU 111 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3i8x h LEU 111 CO 0.04 0.00 -0.03 0.61 0.09 0.00 0.00 178.44 179.16 3i8x n GLY 112 N 0.62 0.46 3.73 0.83 0.00 -0.98 -4.42 105.19 105.42 3i8x n GLY 112 Ca 0.04 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 3i8x n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8x s ILE 113 N -2.05 4.73 0.14 -0.61 -1.09 -1.21 -4.85 121.20 116.25 3i8x s ILE 113 Ca 0.00 1.84 -0.35 0.00 -2.23 0.00 0.00 60.65 59.91 3i8x s ILE 113 Cb 0.00 -4.21 -0.16 0.00 -1.58 0.00 0.00 42.46 36.51 3i8x s ILE 113 CO 0.00 0.29 1.34 -2.65 -1.23 0.00 0.00 174.94 172.70 3i8x n PRO 114 N 3.15 1.43 -4.17 2.79 -0.02 -1.26 -4.82 135.00 132.10 3i8x n PRO 114 Ca 0.01 0.51 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 3i8x n PRO 114 Cb 0.50 -2.14 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 3i8x n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8x s ILE 116 N -0.22 1.53 -0.26 0.00 1.01 -0.39 -4.15 121.20 118.71 3i8x s ILE 116 Ca 0.01 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 3i8x s ILE 116 Cb -0.03 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 3i8x s ILE 116 CO -0.00 0.45 0.85 -0.69 0.00 0.00 0.00 174.94 175.55 3i8x s VAL 117 N 1.16 4.80 -0.53 2.92 1.01 -0.56 -0.99 120.40 128.20 3i8x s VAL 117 Ca -0.03 1.54 -0.21 0.00 0.00 0.00 0.00 61.98 63.29 3i8x s VAL 117 Cb -0.14 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.14 3i8x s VAL 117 CO -0.05 -0.14 0.73 0.00 0.00 0.00 0.00 175.10 175.65 3i8x s ALA 118 N 2.94 3.31 -0.65 5.51 0.00 0.83 -0.41 121.76 133.29 3i8x s ALA 118 Ca 0.36 -1.62 -0.25 0.00 0.00 0.00 0.00 51.96 50.45 3i8x s ALA 118 Cb -0.15 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.53 3i8x s ALA 118 CO 0.09 -2.16 1.07 -1.17 0.00 0.00 0.00 175.76 173.59 3i8x s LEU 119 N 3.07 3.89 0.44 0.00 2.96 0.42 -0.45 118.68 129.00 3i8x s LEU 119 Ca 0.20 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 3i8x s LEU 119 Cb -0.17 -2.63 0.01 0.00 0.50 0.00 0.00 46.19 43.89 3i8x s LEU 119 CO 0.14 -1.50 0.54 0.21 -1.32 0.00 0.00 176.35 174.42 3i8x s ASN 120 N 3.41 5.42 -1.22 3.68 2.47 0.19 -0.73 114.94 128.16 3i8x s ASN 120 Ca 0.30 -0.57 -0.04 0.00 0.42 0.00 0.00 52.86 52.97 3i8x s ASN 120 Cb -0.12 -0.51 0.00 0.00 -1.45 0.00 0.00 41.25 39.17 3i8x s ASN 120 CO 0.15 -0.80 1.04 0.23 -3.72 0.00 0.00 177.10 174.00 3i8x n MET 121 N -1.81 -6.92 0.04 0.43 2.81 -1.23 -0.28 117.12 110.15 3i8x n MET 121 Ca 0.07 0.81 -0.20 0.00 -1.81 0.00 0.00 57.70 56.58 3i8x n MET 121 Cb 0.60 -5.75 -0.11 0.00 -0.71 0.00 0.00 33.22 27.24 3i8x n MET 121 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3i8x h LEU 122 N -2.15 0.74 -0.74 4.03 3.38 -1.84 -1.60 115.31 117.13 3i8x h LEU 122 Ca -0.56 -0.78 0.06 0.00 0.09 0.00 0.00 57.88 56.69 3i8x h LEU 122 Cb 1.34 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3i8x h LEU 122 CO 0.50 1.43 0.44 -2.24 0.09 0.00 0.00 178.44 178.66 3i8x h ASP 123 N 0.14 0.67 -0.34 -0.43 -0.00 -1.91 0.18 116.42 114.73 3i8x h ASP 123 Ca -0.12 0.02 0.01 0.00 -0.00 0.00 0.00 57.03 56.94 3i8x h ASP 123 Cb 1.60 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 40.80 3i8x h ASP 123 CO 0.18 0.43 0.21 0.40 -0.00 0.00 0.00 179.24 180.46 3i8x h ILE 124 N 0.80 1.07 -0.53 4.15 2.04 -1.94 -1.32 117.51 121.79 3i8x h ILE 124 Ca 0.33 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 66.09 3i8x h ILE 124 Cb 0.18 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3i8x h ILE 124 CO -0.18 0.08 0.25 0.00 0.00 0.00 0.00 178.15 178.30 3i8x h ALA 125 N 1.13 0.67 0.42 1.87 0.00 -0.86 -2.54 119.26 119.96 3i8x h ALA 125 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3i8x h ALA 125 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3i8x h ALA 125 CO -0.04 -0.12 -0.41 1.49 0.00 0.00 0.00 179.25 180.17 3i8x h GLU 126 N 0.48 -0.82 -0.01 0.00 4.81 -0.19 -1.37 114.58 117.48 3i8x h GLU 126 Ca 0.24 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3i8x h GLU 126 Cb 0.19 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3i8x h GLU 126 CO -0.19 -0.54 0.00 1.63 -0.73 0.00 0.00 179.01 179.18 3i8x n LYS 127 N -5.51 1.02 -0.91 1.92 4.76 -0.54 -0.66 118.16 118.24 3i8x n LYS 127 Ca -0.11 -0.04 0.05 0.00 -2.87 0.00 0.00 58.31 55.34 3i8x n LYS 127 Cb 0.40 -1.07 0.39 0.00 -1.84 0.00 0.00 35.03 32.91 3i8x n LYS 127 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3i8x n GLN 128 N -0.53 4.64 -3.98 1.97 6.02 -0.78 -4.97 117.38 119.75 3i8x n GLN 128 Ca 0.03 -3.15 -0.32 0.00 -0.01 0.00 0.00 57.00 53.55 3i8x n GLN 128 Cb 0.02 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.04 3i8x n GLN 128 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i8x n ASN 129 N 0.44 -4.18 -4.20 1.08 2.85 0.16 -5.01 115.26 106.40 3i8x n ASN 129 Ca 0.30 -0.83 -0.29 0.00 -0.11 0.00 0.00 54.58 53.65 3i8x n ASN 129 Cb 1.23 -3.37 -0.16 0.00 1.24 0.00 0.00 39.78 38.72 3i8x n ASN 129 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3i8x s ILE 130 N -3.25 1.79 0.15 -1.44 2.07 -0.59 -4.91 121.20 115.03 3i8x s ILE 130 Ca 0.67 -0.91 0.08 0.00 -1.41 0.00 0.00 60.65 59.09 3i8x s ILE 130 Cb -0.35 -1.53 -0.04 0.00 0.13 0.00 0.00 42.46 40.67 3i8x s ILE 130 CO 0.83 0.50 -0.19 -0.60 -1.91 0.00 0.00 174.94 173.58 3i8x s ARG 131 N 0.03 1.24 -0.12 3.50 3.52 -1.26 -3.46 118.95 122.40 3i8x s ARG 131 Ca -0.07 -1.36 -0.02 0.00 -0.13 0.00 0.00 55.73 54.16 3i8x s ARG 131 Cb -0.14 -1.34 -0.03 0.00 -1.56 0.00 0.00 34.95 31.89 3i8x s ARG 131 CO 0.04 0.28 -0.06 0.42 -0.81 0.00 0.00 175.30 175.17 3i8x s ILE 132 N -1.87 3.69 -0.79 4.11 -1.09 -1.26 -1.81 121.20 122.18 3i8x s ILE 132 Ca 0.14 -0.45 -0.26 0.00 -2.23 0.00 0.00 60.65 57.85 3i8x s ILE 132 Cb -0.07 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 3i8x s ILE 132 CO 0.06 0.54 1.63 -1.61 -1.23 0.00 0.00 174.94 174.33 3i8x s GLU 133 N -0.05 2.96 0.10 2.79 2.02 0.16 -4.93 118.70 121.75 3i8x s GLU 133 Ca 0.00 -0.16 -0.18 0.00 0.02 0.00 0.00 54.97 54.64 3i8x s GLU 133 Cb -0.13 -4.66 -0.07 0.00 0.10 0.00 0.00 34.13 29.37 3i8x s GLU 133 CO 0.03 -2.60 1.58 0.82 0.02 0.00 0.00 175.26 175.11 3i8x h ILE 134 N 6.70 1.22 -0.17 -1.63 2.04 -1.97 -2.21 117.51 121.49 3i8x h ILE 134 Ca -0.10 -0.73 -0.12 0.00 1.00 0.00 0.00 64.86 64.91 3i8x h ILE 134 Cb 1.07 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3i8x h ILE 134 CO 1.28 0.24 -0.41 0.44 0.00 0.00 0.00 178.15 179.69 3i8x h ASP 135 N 0.26 0.42 -0.62 1.72 5.19 -1.92 -1.73 116.42 119.74 3i8x h ASP 135 Ca 0.08 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3i8x h ASP 135 Cb 0.30 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 3i8x h ASP 135 CO 0.00 0.79 0.40 0.00 -3.12 0.00 0.00 179.24 177.31 3i8x h ALA 136 N 1.24 0.78 -0.35 3.45 0.00 -1.94 0.11 119.26 122.55 3i8x h ALA 136 Ca 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3i8x h ALA 136 Cb 0.86 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i8x h ALA 136 CO 0.07 0.22 -0.01 1.25 0.00 0.00 0.00 179.25 180.79 3i8x h LEU 137 N 0.84 0.61 -0.54 0.00 5.85 -1.23 -2.68 115.31 118.14 3i8x h LEU 137 Ca 0.23 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3i8x h LEU 137 Cb -0.09 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3i8x h LEU 137 CO -0.05 0.78 0.33 -1.28 -0.34 0.00 0.00 178.44 177.88 3i8x h SER 138 N 0.43 0.54 -0.86 1.25 0.87 -1.09 -0.67 113.55 114.02 3i8x h SER 138 Ca 0.10 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.76 3i8x h SER 138 Cb 0.47 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.24 3i8x h SER 138 CO 0.02 0.38 0.50 0.00 -0.53 0.00 0.00 176.83 177.20 3i8x h ALA 139 N 1.24 1.25 0.00 6.23 0.00 -0.78 0.69 119.26 127.88 3i8x h ALA 139 Ca 0.22 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 3i8x h ALA 139 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3i8x h ALA 139 CO -0.09 0.10 -0.99 0.00 0.00 0.00 0.00 179.25 178.27 3i8x h ARG 140 N 0.81 0.00 0.00 0.00 3.08 -1.04 -3.31 114.38 113.92 3i8x h ARG 140 Ca 0.42 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.29 3i8x h ARG 140 Cb 0.42 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3i8x h ARG 140 CO -0.26 0.82 -1.04 -0.07 -1.07 0.00 0.00 179.97 178.34 3i8x h LEU 141 N 0.00 0.00 0.12 3.04 3.38 -0.98 -3.47 115.31 117.41 3i8x h LEU 141 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3i8x h LEU 141 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 3i8x h LEU 141 CO 0.11 0.81 -0.04 0.61 0.09 0.00 0.00 178.44 180.02 3i8x n GLY 142 N 1.36 0.47 3.23 0.83 0.00 0.22 -4.86 105.19 106.44 3i8x n GLY 142 Ca -0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 3i8x n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8x s PRO 144 N -3.89 3.56 -0.21 0.00 0.02 -1.26 -4.51 135.00 128.71 3i8x s PRO 144 Ca 0.08 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.53 3i8x s PRO 144 Cb 0.05 -2.58 0.05 0.00 0.02 0.00 0.00 34.50 32.03 3i8x s PRO 144 CO -0.08 -0.92 -0.09 0.08 -0.33 0.00 0.00 177.00 175.66 3i8x s VAL 145 N -1.21 1.63 -0.27 3.83 1.01 -1.26 -1.50 120.40 122.62 3i8x s VAL 145 Ca 0.63 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3i8x s VAL 145 Cb -0.44 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3i8x s VAL 145 CO 0.56 0.10 0.03 -0.63 0.00 0.00 0.00 175.10 175.16 3i8x s ILE 146 N 1.39 3.68 0.12 2.22 -1.09 0.45 -4.94 121.20 123.03 3i8x s ILE 146 Ca -0.03 -0.71 -0.31 0.00 -2.23 0.00 0.00 60.65 57.38 3i8x s ILE 146 Cb -0.17 -2.85 -0.07 0.00 -1.58 0.00 0.00 42.46 37.78 3i8x s ILE 146 CO -0.08 0.16 1.31 -2.16 -1.23 0.00 0.00 174.94 172.94 3i8x s PRO 147 N 1.47 4.38 -0.02 2.79 0.04 -1.26 -0.44 135.00 141.96 3i8x s PRO 147 Ca 0.03 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.06 3i8x s PRO 147 Cb -0.17 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3i8x s PRO 147 CO 0.00 -0.32 -0.07 -0.51 0.04 0.00 0.00 177.00 176.14 3i8x s LEU 148 N 0.73 1.80 -0.63 -3.56 1.02 0.09 -4.30 118.68 113.83 3i8x s LEU 148 Ca 0.60 -0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.56 3i8x s LEU 148 Cb -0.34 -0.45 0.16 0.00 0.02 0.00 0.00 46.19 45.58 3i8x s LEU 148 CO 0.32 0.05 0.45 -0.69 0.02 0.00 0.00 176.35 176.51 3i8x s VAL 149 N 0.17 3.90 -0.39 -1.59 1.01 -0.80 -3.55 120.40 119.16 3i8x s VAL 149 Ca -0.02 -2.81 0.26 0.00 0.00 0.00 0.00 61.98 59.42 3i8x s VAL 149 Cb -0.07 -3.53 0.33 0.00 0.00 0.00 0.00 36.38 33.10 3i8x s VAL 149 CO 0.00 -0.88 1.75 0.77 0.00 0.00 0.00 175.10 176.75 3i8x h SER 150 N 7.23 0.00 -0.08 3.32 4.64 -1.94 -1.90 113.55 124.81 3i8x h SER 150 Ca -0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 3i8x h SER 150 Cb 0.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3i8x h SER 150 CO 0.72 0.00 -0.37 0.71 -0.87 0.00 0.00 176.83 177.02 3i8x h THR 151 N 0.00 1.29 0.00 2.95 1.35 -1.95 -2.95 112.91 113.61 3i8x h THR 151 Ca 0.00 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3i8x h THR 151 Cb 0.73 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3i8x h THR 151 CO 0.00 0.48 -0.41 0.03 -0.25 0.00 0.00 175.52 175.37 3i8x h ARG 152 N 0.49 0.00 0.00 4.72 3.08 -1.88 -3.48 114.38 117.31 3i8x h ARG 152 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i8x h ARG 152 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3i8x h ARG 152 CO 0.07 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 3i8x n GLY 153 N 1.26 0.84 3.65 0.04 0.00 -0.79 -5.04 105.19 105.15 3i8x n GLY 153 Ca 0.03 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3i8x n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8x s ARG 154 N -1.94 4.19 0.00 1.61 1.81 -0.79 -3.43 118.95 120.41 3i8x s ARG 154 Ca 0.00 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 54.73 3i8x s ARG 154 Cb 0.00 -3.61 0.00 0.00 -0.45 0.00 0.00 34.95 30.89 3i8x s ARG 154 CO 0.00 -0.35 0.00 0.41 -0.68 0.00 0.00 175.30 174.68 3i8x n GLY 155 N 3.83 1.06 0.29 -3.53 0.00 -1.26 -1.90 105.19 103.68 3i8x n GLY 155 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3i8x n GLY 155 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i8x h ILE 156 N 0.00 1.17 -0.70 -0.61 2.04 -1.87 0.33 117.51 117.88 3i8x h ILE 156 Ca 0.00 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3i8x h ILE 156 Cb 0.00 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 3i8x h ILE 156 CO 0.00 0.18 0.38 -0.33 0.00 0.00 0.00 178.15 178.38 3i8x h GLU 157 N 0.99 0.97 -0.26 2.37 4.39 -1.93 -1.09 114.58 120.02 3i8x h GLU 157 Ca 0.28 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 3i8x h GLU 157 Cb -0.08 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 3i8x h GLU 157 CO -0.07 0.73 -0.20 0.00 -1.16 0.00 0.00 179.01 178.31 3i8x h ALA 158 N 1.19 1.17 -0.47 3.43 0.00 -1.82 -0.58 119.26 122.18 3i8x h ALA 158 Ca 0.24 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i8x h ALA 158 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3i8x h ALA 158 CO -0.04 0.53 0.07 1.25 0.00 0.00 0.00 179.25 181.06 3i8x h LEU 159 N 0.42 0.76 -0.50 0.00 5.85 -0.09 -2.03 115.31 119.72 3i8x h LEU 159 Ca 0.07 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3i8x h LEU 159 Cb 0.59 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3i8x h LEU 159 CO 0.04 0.83 0.17 0.11 -0.34 0.00 0.00 178.44 179.25 3i8x h LYS 160 N 0.66 0.76 -0.77 1.25 1.57 -0.92 -1.10 116.57 118.02 3i8x h LYS 160 Ca 0.14 -0.15 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3i8x h LYS 160 Cb 0.39 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3i8x h LYS 160 CO 0.01 0.70 0.41 1.25 -0.57 0.00 0.00 179.45 181.25 3i8x h LEU 161 N 0.67 0.57 -1.01 2.94 5.85 -1.10 -2.50 115.31 120.73 3i8x h LEU 161 Ca 0.16 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 3i8x h LEU 161 Cb 0.24 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3i8x h LEU 161 CO -0.01 0.32 -0.50 0.00 -0.34 0.00 0.00 178.44 177.92 3i8x h ALA 162 N 1.44 1.18 -0.16 1.25 0.00 -0.99 -2.66 119.26 119.32 3i8x h ALA 162 Ca 0.37 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3i8x h ALA 162 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i8x h ALA 162 CO -0.26 0.62 0.07 0.82 0.00 0.00 0.00 179.25 180.50 3i8x h ILE 163 N 0.00 1.15 0.00 0.00 2.04 -0.83 -2.51 117.51 117.36 3i8x h ILE 163 Ca -0.00 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3i8x h ILE 163 Cb 0.88 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3i8x h ILE 163 CO 0.06 0.14 0.00 0.44 0.00 0.00 0.00 178.15 178.80 3i8x h ASP 164 N 0.11 0.00 -0.47 1.72 3.45 -1.31 -1.72 116.42 118.19 3i8x h ASP 164 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3i8x h ASP 164 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3i8x h ASP 164 CO -0.00 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.21 3i8x n ARG 165 N -2.41 3.12 -1.75 3.56 1.74 -1.01 -5.05 116.66 114.86 3i8x n ARG 165 Ca -0.01 -2.52 -0.40 0.00 -0.77 0.00 0.00 57.85 54.15 3i8x n ARG 165 Cb 0.08 -1.59 0.02 0.00 -1.02 0.00 0.00 32.46 29.95 3i8x n ARG 165 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3i8x n TYR 166 N 0.67 2.55 -3.79 -1.55 4.11 -0.65 -4.98 117.16 113.52 3i8x n TYR 166 Ca 0.19 0.45 -0.09 0.00 -0.00 0.00 0.00 57.90 58.45 3i8x n TYR 166 Cb 0.67 -2.44 0.02 0.00 -0.00 0.00 0.00 39.34 37.59 3i8x n TYR 166 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3i8x n LYS 167 N -0.22 0.98 -1.87 -3.48 0.00 -1.26 -5.10 118.16 107.21 3i8x n LYS 167 Ca 0.06 -2.17 -0.41 0.00 -0.00 0.00 0.00 58.31 55.79 3i8x n LYS 167 Cb 0.41 2.57 -0.00 0.00 -0.00 0.00 0.00 35.03 38.01 3i8x n LYS 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8x s ALA 168 N -2.13 3.52 0.72 0.58 0.00 -1.26 -4.60 121.76 118.58 3i8x s ALA 168 Ca 0.17 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 3i8x s ALA 168 Cb -0.04 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.53 3i8x s ALA 168 CO 0.13 -0.99 1.26 -0.80 0.00 0.00 0.00 175.76 175.35 3i8x s ASN 169 N -0.26 4.16 -0.07 0.00 0.01 -1.26 -4.92 114.94 112.60 3i8x s ASN 169 Ca 0.53 2.51 -0.30 0.00 -0.71 0.00 0.00 52.86 54.89 3i8x s ASN 169 Cb -0.45 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.56 3i8x s ASN 169 CO 0.60 -2.29 1.60 -1.61 -1.51 0.00 0.00 177.10 173.89 3i8x s GLU 170 N -3.71 4.19 -1.18 -0.60 2.02 0.52 -4.88 118.70 115.07 3i8x s GLU 170 Ca 0.78 2.12 -0.17 0.00 0.02 0.00 0.00 54.97 57.73 3i8x s GLU 170 Cb -0.34 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 29.90 3i8x s GLU 170 CO 0.44 -0.83 2.12 -1.71 0.02 0.00 0.00 175.26 175.31 3i8x n ASN 171 N 7.04 3.46 -4.87 -0.19 5.15 -1.26 -4.60 115.26 119.98 3i8x n ASN 171 Ca 0.17 -2.76 -0.30 0.00 -0.60 0.00 0.00 54.58 51.08 3i8x n ASN 171 Cb 0.43 -1.43 -0.00 0.00 -0.53 0.00 0.00 39.78 38.25 3i8x n ASN 171 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i8x s VAL 172 N 3.90 4.72 0.10 3.44 -7.23 -1.26 -5.07 120.40 119.01 3i8x s VAL 172 Ca 0.52 0.79 -0.27 0.00 -1.81 0.00 0.00 61.98 61.21 3i8x s VAL 172 Cb 0.14 -3.83 -0.06 0.00 0.56 0.00 0.00 36.38 33.18 3i8x s VAL 172 CO -0.00 -0.97 0.84 -0.70 -0.31 0.00 0.00 175.10 173.95 3i8x s GLU 173 N -4.81 4.60 0.00 4.82 2.12 -1.26 -4.96 118.70 119.20 3i8x s GLU 173 Ca 0.54 1.22 0.00 0.00 0.36 0.00 0.00 54.97 57.09 3i8x s GLU 173 Cb -0.11 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3i8x s GLU 173 CO 0.47 0.34 0.00 1.28 -0.54 0.00 0.00 175.26 176.81 3i8x n LEU 174 N 2.44 0.00 -4.75 2.70 4.77 -1.26 -5.02 117.00 115.87 3i8x n LEU 174 Ca -0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 3i8x n LEU 174 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 3i8x n LEU 174 CO 0.48 0.00 0.51 -0.69 -1.33 0.00 0.00 177.39 176.37 3i8x s VAL 175 N 0.00 4.57 -0.64 4.08 1.01 -1.26 -4.92 120.40 123.23 3i8x s VAL 175 Ca 0.00 1.75 -0.08 0.00 0.00 0.00 0.00 61.98 63.64 3i8x s VAL 175 Cb 0.00 -4.17 0.17 0.00 0.00 0.00 0.00 36.38 32.38 3i8x s VAL 175 CO 0.00 0.40 0.51 -2.28 0.00 0.00 0.00 175.10 173.74 3i8x s HIS 176 N -0.38 3.52 0.34 5.22 2.46 -1.26 -5.06 115.29 120.12 3i8x s HIS 176 Ca 0.39 -2.23 -0.20 0.00 0.47 0.00 0.00 55.06 53.49 3i8x s HIS 176 Cb -0.22 -3.49 -0.10 0.00 -0.13 0.00 0.00 32.58 28.65 3i8x s HIS 176 CO 0.25 -0.93 0.85 0.71 -2.47 0.00 0.00 174.74 173.15 3i8x s TYR 177 N 0.44 3.48 0.42 3.88 1.51 -1.26 -4.92 117.35 120.90 3i8x s TYR 177 Ca 0.14 1.50 -0.24 0.00 -1.01 0.00 0.00 57.07 57.46 3i8x s TYR 177 Cb -0.19 -2.74 -0.11 0.00 -0.11 0.00 0.00 41.96 38.81 3i8x s TYR 177 CO -0.04 0.11 0.89 0.00 -1.11 0.00 0.00 175.55 175.40 3i8x n ALA 178 N -0.02 -0.27 -0.32 3.71 0.00 -1.26 -4.84 120.51 117.52 3i8x n ALA 178 Ca 0.03 0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 3i8x n ALA 178 Cb 0.52 -2.00 0.08 0.00 0.00 0.00 0.00 19.45 18.05 3i8x n ALA 178 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i8x h GLN 179 N 1.34 1.22 -0.95 0.00 5.75 -2.00 -2.80 115.11 117.67 3i8x h GLN 179 Ca -0.43 -0.17 0.08 0.00 -0.15 0.00 0.00 58.65 57.97 3i8x h GLN 179 Cb 1.35 -0.23 -0.07 0.00 1.07 0.00 0.00 27.48 29.61 3i8x h GLN 179 CO 0.56 0.93 0.60 -1.35 -2.65 0.00 0.00 178.83 176.92 3i8x h PRO 180 N 1.21 1.04 -0.86 -2.39 0.11 -1.99 0.11 132.00 129.22 3i8x h PRO 180 Ca 0.30 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.36 3i8x h PRO 180 Cb 0.09 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 30.92 3i8x h PRO 180 CO -0.04 0.69 0.56 -0.07 -0.21 0.00 0.00 178.00 178.93 3i8x h LEU 181 N 1.07 0.96 -0.89 2.35 3.38 -1.87 -0.43 115.31 119.88 3i8x h LEU 181 Ca 0.43 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 3i8x h LEU 181 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i8x h LEU 181 CO -0.19 0.68 -0.01 -0.07 0.09 0.00 0.00 178.44 178.93 3i8x h LEU 182 N 1.13 0.77 -0.40 1.67 3.38 -1.17 -0.96 115.31 119.73 3i8x h LEU 182 Ca 0.33 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3i8x h LEU 182 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3i8x h LEU 182 CO -0.09 0.85 -0.11 0.78 0.09 0.00 0.00 178.44 179.95 3i8x h ASN 183 N 0.75 0.79 -0.31 -0.43 2.35 -0.18 -1.70 115.58 116.85 3i8x h ASN 183 Ca 0.14 -0.37 -0.16 0.00 -0.55 0.00 0.00 56.30 55.36 3i8x h ASN 183 Cb 0.47 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3i8x h ASN 183 CO 0.02 0.98 -0.41 -0.33 -1.65 0.00 0.00 177.43 176.05 3i8x h GLU 184 N 0.59 0.86 -0.82 0.81 4.39 -1.06 -1.77 114.58 117.58 3i8x h GLU 184 Ca 0.10 -0.46 0.05 0.00 0.34 0.00 0.00 59.36 59.38 3i8x h GLU 184 Cb 0.64 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 3i8x h GLU 184 CO 0.04 1.11 0.54 0.00 -1.16 0.00 0.00 179.01 179.54 3i8x h ALA 185 N 0.83 1.54 -0.13 3.43 0.00 -1.15 -1.98 119.26 121.78 3i8x h ALA 185 Ca 0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3i8x h ALA 185 Cb 0.99 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3i8x h ALA 185 CO 0.10 0.37 -0.52 0.22 0.00 0.00 0.00 179.25 179.41 3i8x h ASP 186 N 0.97 0.69 -0.88 0.00 -0.00 -1.10 -0.66 116.42 115.44 3i8x h ASP 186 Ca 0.34 -0.62 0.07 0.00 -0.00 0.00 0.00 57.03 56.82 3i8x h ASP 186 Cb 0.11 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.33 39.17 3i8x h ASP 186 CO -0.11 1.19 0.54 0.28 -0.00 0.00 0.00 179.24 181.14 3i8x h SER 187 N 0.23 0.85 -0.15 2.28 0.02 -1.16 -0.59 113.55 115.03 3i8x h SER 187 Ca -0.03 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3i8x h SER 187 Cb 1.15 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3i8x h SER 187 CO 0.11 0.54 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.26 3i8x h LEU 188 N 0.98 0.26 -0.65 5.07 3.38 -1.30 -3.18 115.31 119.87 3i8x h LEU 188 Ca 0.39 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 58.18 3i8x h LEU 188 Cb 0.20 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.76 3i8x h LEU 188 CO -0.18 0.52 -0.08 0.00 0.09 0.00 0.00 178.44 178.79 3i8x h ALA 189 N 0.76 0.55 -0.90 1.53 0.00 -0.53 -2.52 119.26 118.15 3i8x h ALA 189 Ca 0.04 0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.37 3i8x h ALA 189 Cb 0.38 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3i8x h ALA 189 CO 0.01 -0.42 0.59 0.87 0.00 0.00 0.00 179.25 180.30 3i8x h LYS 190 N 0.05 0.46 -0.26 0.00 1.57 -1.10 -2.14 116.57 115.15 3i8x h LYS 190 Ca 0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3i8x h LYS 190 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3i8x h LYS 190 CO -0.62 0.30 0.00 1.33 -0.57 0.00 0.00 179.45 179.90 3i8x n VAL 191 N -4.54 0.33 -1.80 0.50 0.24 -0.96 -4.96 118.33 107.14 3i8x n VAL 191 Ca 0.19 -0.66 -0.31 0.00 -2.04 0.00 0.00 64.34 61.52 3i8x n VAL 191 Cb 0.65 1.17 0.02 0.00 -1.47 0.00 0.00 33.84 34.21 3i8x n VAL 191 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3i8x s MET 192 N -1.67 3.38 0.07 7.34 -1.94 -0.81 -4.13 119.30 121.55 3i8x s MET 192 Ca 0.35 0.85 -0.37 0.00 -1.71 0.00 0.00 55.69 54.81 3i8x s MET 192 Cb 0.22 -2.05 -0.18 0.00 2.01 0.00 0.00 34.83 34.83 3i8x s MET 192 CO 0.31 -0.75 1.15 -2.30 -0.01 0.00 0.00 175.02 173.42 3i8x n PRO 193 N -2.79 0.57 0.28 2.03 -0.02 -1.26 -4.84 135.00 128.98 3i8x n PRO 193 Ca 0.07 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.89 3i8x n PRO 193 Cb 0.54 -1.73 0.84 0.00 -0.02 0.00 0.00 33.50 33.13 3i8x n PRO 193 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i8x h SER 194 N 3.50 0.00 1.38 2.55 4.64 -1.94 -2.77 113.55 120.90 3i8x h SER 194 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i8x h SER 194 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3i8x h SER 194 CO 0.70 0.04 -0.19 -2.24 -0.87 0.00 0.00 176.83 174.27 3i8x h ASP 195 N 0.00 0.00 -3.04 4.97 2.03 -2.03 -3.44 116.42 114.91 3i8x h ASP 195 Ca -0.00 -0.05 -0.54 0.00 -0.73 0.00 0.00 57.03 55.71 3i8x h ASP 195 Cb 0.10 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3i8x h ASP 195 CO 0.00 0.03 0.71 -0.63 -1.03 0.00 0.00 179.24 178.32 3i8x s ILE 196 N -3.14 3.85 0.68 4.15 1.01 -1.05 -4.99 121.20 121.71 3i8x s ILE 196 Ca 0.09 1.27 -0.17 0.00 0.00 0.00 0.00 60.65 61.84 3i8x s ILE 196 Cb 0.12 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3i8x s ILE 196 CO 0.64 0.04 0.56 -2.65 0.00 0.00 0.00 174.94 173.54 3i8x n PRO 197 N 4.71 0.39 -0.01 2.79 -0.02 -1.26 -4.72 135.00 136.88 3i8x n PRO 197 Ca 0.11 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.65 3i8x n PRO 197 Cb 0.45 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3i8x n PRO 197 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i8x h LEU 198 N -0.17 0.12 -0.99 2.45 5.85 -1.94 -1.02 115.31 119.61 3i8x h LEU 198 Ca -0.46 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.33 3i8x h LEU 198 Cb 1.36 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.27 3i8x h LEU 198 CO 0.44 0.17 0.61 0.11 -0.34 0.00 0.00 178.44 179.43 3i8x h LYS 199 N 0.07 0.87 -0.37 1.25 1.57 -1.91 -0.15 116.57 117.90 3i8x h LYS 199 Ca 0.03 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3i8x h LYS 199 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3i8x h LYS 199 CO -0.01 0.57 -0.32 1.96 -0.57 0.00 0.00 179.45 181.09 3i8x h GLN 200 N 0.89 0.82 -0.46 3.15 4.20 -1.60 -0.44 115.11 121.68 3i8x h GLN 200 Ca 0.52 -0.39 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3i8x h GLN 200 Cb 0.62 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3i8x h GLN 200 CO -0.31 1.02 -0.16 0.00 -0.67 0.00 0.00 178.83 178.72 3i8x h ARG 201 N 0.69 0.91 -0.77 1.46 3.08 -0.42 -0.20 114.38 119.14 3i8x h ARG 201 Ca 0.07 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 3i8x h ARG 201 Cb 0.87 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3i8x h ARG 201 CO 0.08 1.03 0.30 0.00 -1.07 0.00 0.00 179.97 180.31 3i8x h ARG 202 N 0.75 1.15 -0.27 0.04 3.08 -1.00 -0.64 114.38 117.49 3i8x h ARG 202 Ca 0.11 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3i8x h ARG 202 Cb 0.72 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3i8x h ARG 202 CO 0.06 0.94 0.12 2.35 -1.07 0.00 0.00 179.97 182.36 3i8x h TRP 203 N 1.11 0.41 -0.80 3.04 7.01 -0.90 -2.55 115.95 123.27 3i8x h TRP 203 Ca 0.25 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.27 3i8x h TRP 203 Cb 0.22 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 3i8x h TRP 203 CO 0.02 0.40 0.51 -0.07 -2.79 0.00 0.00 178.44 176.50 3i8x h LEU 204 N 0.30 0.82 -0.40 0.65 3.38 -0.77 -1.60 115.31 117.69 3i8x h LEU 204 Ca 0.09 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3i8x h LEU 204 Cb 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3i8x h LEU 204 CO -0.01 0.56 0.15 1.23 0.09 0.00 0.00 178.44 180.46 3i8x h GLY 205 N 0.97 0.52 1.31 0.83 0.00 -1.00 0.19 103.07 105.89 3i8x h GLY 205 Ca 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 3i8x h GLY 205 CO -0.13 0.04 0.16 1.41 0.00 0.00 0.00 176.54 178.02 3i8x h LEU 206 N 0.32 0.80 -0.72 3.11 3.38 -1.02 -2.00 115.31 119.20 3i8x h LEU 206 Ca 0.18 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3i8x h LEU 206 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3i8x h LEU 206 CO -0.17 0.77 -0.04 1.56 0.09 0.00 0.00 178.44 180.65 3i8x h GLN 207 N 0.84 0.94 -0.31 1.13 1.08 -0.93 -1.07 115.11 116.78 3i8x h GLN 207 Ca 0.19 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 3i8x h GLN 207 Cb 0.27 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3i8x h GLN 207 CO -0.01 0.96 0.08 0.52 -0.95 0.00 0.00 178.83 179.43 3i8x h MET 208 N 0.86 0.50 -0.65 1.46 2.86 -0.68 -1.13 114.93 118.15 3i8x h MET 208 Ca 0.15 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3i8x h MET 208 Cb 0.57 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 3i8x h MET 208 CO 0.03 0.56 0.43 -0.07 1.06 0.00 0.00 176.91 178.93 3i8x h LEU 209 N 0.35 0.75 -0.51 1.22 3.38 -1.27 -1.11 115.31 118.12 3i8x h LEU 209 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i8x h LEU 209 Cb 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i8x h LEU 209 CO 0.00 0.54 0.00 1.21 0.09 0.00 0.00 178.44 180.28 3i8x n GLU 210 N -4.44 0.12 0.00 1.13 2.13 -0.42 -4.47 120.64 114.70 3i8x n GLU 210 Ca 0.07 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.27 3i8x n GLU 210 Cb 0.04 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.00 3i8x n GLU 210 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i8x n GLY 211 N -0.16 1.02 3.66 8.31 0.00 -0.42 -4.88 105.19 112.72 3i8x n GLY 211 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3i8x n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i8x s ASP 212 N -2.00 6.81 0.01 1.61 -1.08 -0.45 -4.92 116.67 116.66 3i8x s ASP 212 Ca 0.00 1.81 -0.07 0.00 -0.52 0.00 0.00 52.55 53.77 3i8x s ASP 212 Cb 0.00 -2.54 -0.30 0.00 -1.46 0.00 0.00 42.92 38.63 3i8x s ASP 212 CO 0.00 -0.86 0.88 0.40 0.52 0.00 0.00 175.17 176.11 3i8x h ILE 213 N 5.59 1.17 -0.86 4.11 1.08 -1.88 -3.35 117.51 123.38 3i8x h ILE 213 Ca -0.30 -2.76 0.01 0.00 -0.39 0.00 0.00 64.86 61.42 3i8x h ILE 213 Cb 1.13 2.83 -0.04 0.00 -3.07 0.00 0.00 36.82 37.66 3i8x h ILE 213 CO 0.97 0.83 0.57 0.22 -0.69 0.00 0.00 178.15 180.05 3i8x h TYR 214 N 0.09 1.07 -0.17 1.37 3.20 -1.91 -2.36 116.97 118.26 3i8x h TYR 214 Ca -0.25 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.69 3i8x h TYR 214 Cb 2.05 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.95 3i8x h TYR 214 CO 0.08 0.66 0.16 0.77 -1.64 0.00 0.00 178.16 178.19 3i8x h SER 215 N 1.15 0.00 0.30 -2.11 0.02 -1.94 -1.90 113.55 109.07 3i8x h SER 215 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 3i8x h SER 215 Cb -0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3i8x h SER 215 CO -0.08 0.00 -0.10 0.03 -1.14 0.00 0.00 176.83 175.54 3i8x h ARG 216 N 0.00 0.00 0.00 3.45 3.08 -1.56 -2.61 114.38 116.74 3i8x h ARG 216 Ca 0.08 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3i8x h ARG 216 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3i8x h ARG 216 CO -0.00 0.10 -0.53 0.00 -1.07 0.00 0.00 179.97 178.47 3i8x h ALA 217 N 1.90 0.87 0.00 0.04 0.00 -1.48 -2.93 119.26 117.66 3i8x h ALA 217 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3i8x h ALA 217 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i8x h ALA 217 CO 0.01 0.66 -0.22 1.88 0.00 0.00 0.00 179.25 181.59 3i8x h TYR 218 N 0.00 0.00 -0.00 0.00 -1.99 -1.60 -3.38 116.97 110.00 3i8x h TYR 218 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3i8x h TYR 218 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.84 3i8x h TYR 218 CO 0.00 0.15 -0.01 0.00 -0.00 0.00 0.00 178.16 178.29 3i8x n ALA 219 N -2.14 2.66 -0.57 3.88 0.00 -1.11 -4.60 120.51 118.63 3i8x n ALA 219 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3i8x n ALA 219 Cb 0.59 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3i8x n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8x n GLY 220 N 1.10 3.37 0.16 0.00 0.00 -1.26 -1.41 105.19 107.14 3i8x n GLY 220 Ca 0.21 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.56 3i8x n GLY 220 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8x n GLU 221 N 14.00 1.14 -0.01 1.61 1.02 -1.26 -3.17 120.64 133.96 3i8x n GLU 221 Ca 0.00 -0.32 0.09 0.00 -0.02 0.00 0.00 57.16 56.91 3i8x n GLU 221 Cb 0.00 -1.49 0.49 0.00 -0.02 0.00 0.00 31.44 30.42 3i8x n GLU 221 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i8x h ALA 222 N 4.03 1.91 -0.77 0.62 0.00 -1.39 -2.86 119.26 120.80 3i8x h ALA 222 Ca 0.00 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.08 3i8x h ALA 222 Cb 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3i8x h ALA 222 CO 0.00 0.02 0.53 1.03 0.00 0.00 0.00 179.25 180.83 3i8x h SER 223 N 0.41 0.24 1.51 0.00 0.87 -1.72 0.10 113.55 114.96 3i8x h SER 223 Ca 0.20 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3i8x h SER 223 Cb 0.26 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3i8x h SER 223 CO -0.05 0.11 0.00 1.56 -0.53 0.00 0.00 176.83 177.92 3i8x h GLN 224 N 0.25 0.00 -0.02 2.24 4.20 -1.77 -3.24 115.11 116.78 3i8x h GLN 224 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3i8x h GLN 224 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3i8x h GLN 224 CO -0.09 0.00 -0.30 0.72 -0.67 0.00 0.00 178.83 178.49 3i8x n HIS 225 N -2.61 0.00 -0.04 2.96 8.25 0.01 -4.62 115.22 119.18 3i8x n HIS 225 Ca 0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.34 3i8x n HIS 225 Cb 0.43 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.45 3i8x n HIS 225 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3i8x h LEU 226 N 2.82 0.76 -0.96 2.41 5.85 -1.56 -2.72 115.31 121.91 3i8x h LEU 226 Ca 0.00 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.19 3i8x h LEU 226 Cb 0.77 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3i8x h LEU 226 CO 0.00 1.24 0.61 0.44 -0.34 0.00 0.00 178.44 180.39 3i8x h ASP 227 N 0.33 0.97 0.42 1.25 3.32 -1.82 -0.50 116.42 120.40 3i8x h ASP 227 Ca -0.02 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 3i8x h ASP 227 Cb 1.18 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3i8x h ASP 227 CO 0.12 0.61 -0.56 0.00 -1.72 0.00 0.00 179.24 177.69 3i8x h ALA 228 N 1.45 0.96 -0.31 3.45 0.00 -1.87 -0.84 119.26 122.10 3i8x h ALA 228 Ca 0.42 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3i8x h ALA 228 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i8x h ALA 228 CO -0.18 0.70 -0.45 0.00 0.00 0.00 0.00 179.25 179.32 3i8x h ALA 229 N 1.30 0.48 0.00 0.00 0.00 -1.12 -2.81 119.26 117.11 3i8x h ALA 229 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3i8x h ALA 229 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3i8x h ALA 229 CO 0.08 0.62 -0.50 -0.07 0.00 0.00 0.00 179.25 179.39 3i8x h LEU 230 N 0.64 0.00 -0.03 0.00 3.38 -1.00 -2.70 115.31 115.62 3i8x h LEU 230 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i8x h LEU 230 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i8x h LEU 230 CO 0.10 0.50 0.01 0.00 0.09 0.00 0.00 178.44 179.14 3i8x h ALA 231 N 1.50 0.03 -0.02 1.53 0.00 -1.01 -2.16 119.26 119.13 3i8x h ALA 231 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i8x h ALA 231 Cb 0.93 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3i8x h ALA 231 CO 0.06 -0.36 -0.15 0.00 0.00 0.00 0.00 179.25 178.80 3i8x h ARG 232 N -0.15 -0.23 -0.59 0.00 3.08 -1.48 -2.96 114.38 112.04 3i8x h ARG 232 Ca 0.01 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3i8x h ARG 232 Cb 0.20 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3i8x h ARG 232 CO -0.00 -0.15 0.34 -0.07 -1.07 0.00 0.00 179.97 179.02 3i8x h LEU 233 N -0.24 0.71 -1.37 3.04 3.38 -1.45 -1.94 115.31 117.45 3i8x h LEU 233 Ca 0.06 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3i8x h LEU 233 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3i8x h LEU 233 CO -0.16 0.56 -0.24 0.03 0.09 0.00 0.00 178.44 178.73 3i8x h ARG 234 N 0.82 0.12 0.00 1.13 3.08 -1.31 -0.81 114.38 117.41 3i8x h ARG 234 Ca 0.21 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 3i8x h ARG 234 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3i8x h ARG 234 CO -0.04 0.36 -0.54 -0.97 -1.07 0.00 0.00 179.97 177.71 3i8x h ASN 235 N 0.11 0.00 0.96 7.04 -1.24 -1.20 -3.32 115.58 117.93 3i8x h ASN 235 Ca 0.02 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.94 3i8x h ASN 235 Cb 0.48 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 3i8x h ASN 235 CO 0.03 0.54 -1.09 -0.33 -1.29 0.00 0.00 177.43 175.29 3i8x h GLU 236 N 0.00 0.00 -2.75 6.67 5.08 -0.84 -3.49 114.58 119.25 3i8x h GLU 236 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3i8x h GLU 236 Cb 0.99 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.10 3i8x h GLU 236 CO 0.07 0.17 0.22 0.00 -1.00 0.00 0.00 179.01 178.47 3i8x s MET 237 N -3.12 1.21 -0.17 2.33 0.23 -0.38 -5.10 119.30 114.31 3i8x s MET 237 Ca -0.01 -0.30 -0.29 0.00 -1.03 0.00 0.00 55.69 54.06 3i8x s MET 237 Cb 0.09 0.56 -0.01 0.00 -1.53 0.00 0.00 34.83 33.94 3i8x s MET 237 CO 0.79 -0.50 1.10 -0.51 -2.03 0.00 0.00 175.02 173.87 3i8x s ASP 238 N -2.38 7.10 -0.84 -1.18 1.01 -1.26 -4.39 116.67 114.72 3i8x s ASP 238 Ca -0.02 1.54 -0.03 0.00 0.71 0.00 0.00 52.55 54.75 3i8x s ASP 238 Cb -0.01 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 3i8x s ASP 238 CO -0.08 -0.63 0.74 0.47 0.21 0.00 0.00 175.17 175.89 3i8x n ASP 239 N 5.93 -7.03 -0.26 0.27 8.00 -1.26 -4.71 116.55 117.49 3i8x n ASP 239 Ca 0.11 -0.38 0.24 0.00 0.71 0.00 0.00 54.79 55.47 3i8x n ASP 239 Cb 0.46 -4.70 0.59 0.00 -0.02 0.00 0.00 41.12 37.45 3i8x n ASP 239 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3i8x h PRO 240 N -0.13 0.26 -0.50 -0.24 0.13 -1.86 -0.30 132.00 129.36 3i8x h PRO 240 Ca -0.25 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 3i8x h PRO 240 Cb 1.14 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3i8x h PRO 240 CO 0.35 0.17 -0.11 0.00 -0.23 0.00 0.00 178.00 178.18 3i8x h ALA 241 N 1.58 0.68 -0.56 -0.56 0.00 -1.90 -1.77 119.26 116.73 3i8x h ALA 241 Ca 0.50 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3i8x h ALA 241 Cb 1.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3i8x h ALA 241 CO -0.15 0.59 0.11 1.25 0.00 0.00 0.00 179.25 181.05 3i8x h LEU 242 N 0.81 0.82 -0.62 0.00 5.85 -1.45 -2.50 115.31 118.22 3i8x h LEU 242 Ca 0.13 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3i8x h LEU 242 Cb 0.67 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3i8x h LEU 242 CO 0.05 0.82 0.20 0.45 -0.34 0.00 0.00 178.44 179.62 3i8x h HIS 243 N 0.84 0.98 -0.15 1.25 3.86 -0.81 0.62 115.15 121.74 3i8x h HIS 243 Ca 0.18 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3i8x h HIS 243 Cb 0.34 -0.29 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 3i8x h HIS 243 CO 0.02 0.81 -0.28 0.82 0.86 0.00 0.00 177.93 180.16 3i8x h ILE 244 N 0.88 0.35 -0.44 2.45 2.04 -1.24 -1.32 117.51 120.23 3i8x h ILE 244 Ca 0.20 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.08 3i8x h ILE 244 Cb 0.28 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3i8x h ILE 244 CO -0.01 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.41 3i8x h ALA 245 N 0.57 0.56 -0.21 1.87 0.00 -1.07 -2.67 119.26 118.32 3i8x h ALA 245 Ca 0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3i8x h ALA 245 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i8x h ALA 245 CO -0.35 -0.05 -0.35 -0.44 0.00 0.00 0.00 179.25 178.06 3i8x h ASP 246 N 0.53 0.45 -0.50 0.00 3.32 -0.72 -2.20 116.42 117.30 3i8x h ASP 246 Ca 0.18 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3i8x h ASP 246 Cb 0.01 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3i8x h ASP 246 CO -0.08 0.77 0.28 0.00 -1.72 0.00 0.00 179.24 178.49 3i8x h ALA 247 N 1.26 0.64 0.17 3.45 0.00 -1.02 0.22 119.26 123.98 3i8x h ALA 247 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i8x h ALA 247 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i8x h ALA 247 CO 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.19 3i8x h ARG 248 N 0.56 -0.22 -0.37 0.00 3.08 -1.18 -2.01 114.38 114.23 3i8x h ARG 248 Ca 0.21 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3i8x h ARG 248 Cb 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3i8x h ARG 248 CO -0.11 -0.09 0.08 1.88 -1.07 0.00 0.00 179.97 180.66 3i8x h TYR 249 N -0.31 0.56 -0.52 3.04 0.05 -1.22 -1.64 116.97 116.94 3i8x h TYR 249 Ca -0.02 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3i8x h TYR 249 Cb 0.24 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3i8x h TYR 249 CO -0.04 0.49 0.27 0.37 -1.05 0.00 0.00 178.16 178.20 3i8x h GLN 250 N 0.54 0.73 0.09 4.88 4.15 -0.50 -1.83 115.11 123.16 3i8x h GLN 250 Ca 0.12 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.46 3i8x h GLN 250 Cb 0.23 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3i8x h GLN 250 CO -0.00 0.57 -0.11 0.00 -1.93 0.00 0.00 178.83 177.36 3i8x h ILE 252 N -0.24 1.19 -0.46 0.00 1.08 -1.22 -1.91 117.51 115.95 3i8x h ILE 252 Ca 0.01 -0.47 -0.06 0.00 -0.39 0.00 0.00 64.86 63.95 3i8x h ILE 252 Cb 0.24 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3i8x h ILE 252 CO -0.05 0.21 0.04 0.00 -0.69 0.00 0.00 178.15 177.66 3i8x h ALA 253 N 1.17 0.62 -0.62 1.87 0.00 -1.15 -1.24 119.26 119.91 3i8x h ALA 253 Ca 0.22 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i8x h ALA 253 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3i8x h ALA 253 CO -0.04 0.38 0.40 0.00 0.00 0.00 0.00 179.25 179.99 3i8x h ALA 254 N 0.93 0.78 -0.40 0.00 0.00 -1.25 -0.37 119.26 118.96 3i8x h ALA 254 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3i8x h ALA 254 Cb 0.44 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3i8x h ALA 254 CO 0.02 0.22 0.16 0.82 0.00 0.00 0.00 179.25 180.47 3i8x h ILE 255 N 0.83 0.91 -0.43 0.00 2.04 -1.12 -3.23 117.51 116.52 3i8x h ILE 255 Ca 0.22 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.82 3i8x h ILE 255 Cb -0.09 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3i8x h ILE 255 CO -0.05 0.06 -0.29 0.00 0.00 0.00 0.00 178.15 177.87 3i8x h ASP 257 N 0.80 -0.68 0.12 0.00 5.19 -1.09 -1.31 116.42 119.45 3i8x h ASP 257 Ca 0.09 0.24 -0.30 0.00 -0.62 0.00 0.00 57.03 56.44 3i8x h ASP 257 Cb 0.87 0.48 0.03 0.00 0.18 0.00 0.00 39.33 40.89 3i8x h ASP 257 CO 0.08 -0.26 -1.24 0.58 -3.12 0.00 0.00 179.24 175.28 3i8x h VAL 258 N 0.01 1.28 0.04 -1.35 2.07 -1.50 -3.39 116.25 113.41 3i8x h VAL 258 Ca 0.40 -2.45 -0.29 0.00 0.82 0.00 0.00 66.70 65.17 3i8x h VAL 258 Cb 0.64 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 3i8x h VAL 258 CO -0.81 0.75 -1.62 0.58 0.02 0.00 0.00 177.57 176.49 3i8x h VAL 259 N 0.26 0.99 -3.43 2.57 2.07 -1.16 -3.46 116.25 114.10 3i8x h VAL 259 Ca -0.19 -2.77 -0.66 0.00 0.82 0.00 0.00 66.70 63.91 3i8x h VAL 259 Cb 1.91 2.56 -0.13 0.00 -1.52 0.00 0.00 31.29 34.10 3i8x h VAL 259 CO 0.24 0.68 -0.68 -0.55 0.02 0.00 0.00 177.57 177.27 3i8x s SER 260 N -6.49 4.84 0.00 0.57 0.15 -0.51 0.37 113.70 112.64 3i8x s SER 260 Ca -0.07 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3i8x s SER 260 Cb 0.08 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 3i8x s SER 260 CO 0.82 0.19 0.00 0.59 1.20 0.00 0.00 173.24 176.04