#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8x h LYS 2 N 0.00 -0.88 -6.59 3.17 3.64 -1.96 -3.43 116.57 110.52 3i8x h LYS 2 Ca 0.00 0.06 -0.51 0.00 -1.27 0.00 0.00 60.65 58.93 3i8x h LYS 2 Cb 0.00 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3i8x h LYS 2 CO 0.00 -0.59 0.36 0.15 -2.27 0.00 0.00 179.45 177.10 3i8x s LYS 3 N -6.04 4.72 0.05 1.90 1.02 -1.26 -2.39 119.74 117.74 3i8x s LYS 3 Ca -0.18 1.45 0.06 0.00 0.02 0.00 0.00 55.97 57.33 3i8x s LYS 3 Cb 0.04 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3i8x s LYS 3 CO 0.62 0.26 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.64 3i8x s LEU 4 N -0.19 2.20 -0.25 3.17 1.43 -0.30 -4.94 118.68 119.80 3i8x s LEU 4 Ca 0.46 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3i8x s LEU 4 Cb -0.24 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3i8x s LEU 4 CO 0.30 0.06 0.01 -0.89 0.23 0.00 0.00 176.35 176.06 3i8x s THR 5 N -0.92 3.67 -0.13 5.49 2.01 -1.26 -0.66 115.64 123.84 3i8x s THR 5 Ca 0.04 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 3i8x s THR 5 Cb -0.09 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 3i8x s THR 5 CO 0.02 0.30 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.50 3i8x s ILE 6 N 1.50 3.06 -0.02 1.82 1.01 0.43 0.24 121.20 129.24 3i8x s ILE 6 Ca 0.05 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 3i8x s ILE 6 Cb -0.15 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3i8x s ILE 6 CO -0.01 0.52 0.47 -0.83 0.00 0.00 0.00 174.94 175.10 3i8x s GLY 7 N 0.41 2.50 -0.23 6.18 0.00 -0.87 -0.16 107.32 115.16 3i8x s GLY 7 Ca -0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.40 3i8x s GLY 7 CO 0.05 0.43 0.09 -2.27 0.00 0.00 0.00 173.10 171.41 3i8x s LEU 8 N -0.53 3.74 -0.11 0.66 2.96 0.04 -1.08 118.68 124.36 3i8x s LEU 8 Ca 0.26 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 54.07 3i8x s LEU 8 Cb -0.17 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 44.58 3i8x s LEU 8 CO 0.14 0.06 0.27 -0.51 -1.32 0.00 0.00 176.35 174.98 3i8x s ILE 9 N 1.07 -0.03 0.25 6.68 2.07 -0.67 -1.48 121.20 129.10 3i8x s ILE 9 Ca 0.05 0.11 -0.21 0.00 -1.41 0.00 0.00 60.65 59.20 3i8x s ILE 9 Cb -0.14 -0.40 0.06 0.00 0.13 0.00 0.00 42.46 42.10 3i8x s ILE 9 CO 0.04 0.05 0.89 -0.83 -1.91 0.00 0.00 174.94 173.18 3i8x s GLY 10 N 1.07 0.06 0.87 1.50 0.00 -1.26 -0.49 107.32 109.07 3i8x s GLY 10 Ca -0.08 -0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 3i8x s GLY 10 CO -0.07 0.58 1.17 -1.31 0.00 0.00 0.00 173.10 173.47 3i8x s ASN 11 N -3.11 3.15 0.62 1.64 -0.87 -1.13 -1.30 114.94 113.95 3i8x s ASN 11 Ca 0.16 2.28 -0.19 0.00 -1.57 0.00 0.00 52.86 53.53 3i8x s ASN 11 Cb -0.04 -2.58 -0.02 0.00 -0.02 0.00 0.00 41.25 38.59 3i8x s ASN 11 CO 0.07 -2.96 1.31 -2.84 -2.57 0.00 0.00 177.10 170.10 3i8x s PRO 12 N -4.43 2.72 -1.62 -0.60 0.02 -1.26 -2.75 135.00 127.08 3i8x s PRO 12 Ca 0.70 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.79 3i8x s PRO 12 Cb -0.25 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.32 3i8x s PRO 12 CO 0.55 -1.47 0.27 -1.71 -0.33 0.00 0.00 177.00 174.30 3i8x n ASN 13 N -1.67 -5.75 -0.42 2.53 4.05 -1.26 -4.88 115.26 107.86 3i8x n ASN 13 Ca 0.14 -0.13 0.12 0.00 0.45 0.00 0.00 54.58 55.17 3i8x n ASN 13 Cb 0.47 -4.73 0.23 0.00 1.23 0.00 0.00 39.78 36.98 3i8x n ASN 13 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3i8x n SER 14 N -2.22 1.60 0.00 1.20 3.41 -1.11 -4.93 113.62 111.57 3i8x n SER 14 Ca -0.18 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 3i8x n SER 14 Cb 0.65 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 1.35 0.82 0.21 5.00 0.00 -1.26 -4.63 105.19 106.68 3i8x n GLY 15 Ca 0.12 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.75 -0.35 1.61 3.64 -1.92 -0.71 116.57 119.60 3i8x h LYS 16 Ca 0.00 -0.68 -0.10 0.00 -1.27 0.00 0.00 60.65 58.61 3i8x h LYS 16 Cb 0.27 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3i8x h LYS 16 CO 0.00 1.27 -0.16 1.15 -2.27 0.00 0.00 179.45 179.44 3i8x h THR 17 N 0.48 1.29 -0.38 1.00 2.02 -1.98 -0.69 112.91 114.65 3i8x h THR 17 Ca -0.08 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.86 3i8x h THR 17 Cb 1.51 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 3i8x h THR 17 CO 0.18 0.41 0.18 0.74 0.37 0.00 0.00 175.52 177.40 3i8x h THR 18 N 0.50 0.96 -0.46 3.16 2.02 -1.97 -0.90 112.91 116.23 3i8x h THR 18 Ca 0.08 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 3i8x h THR 18 Cb 0.69 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3i8x h THR 18 CO 0.05 0.07 0.14 0.25 0.37 0.00 0.00 175.52 176.39 3i8x h LEU 19 N 0.36 0.67 -0.62 2.58 5.85 -0.93 -1.93 115.31 121.29 3i8x h LEU 19 Ca 0.16 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3i8x h LEU 19 Cb 0.09 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3i8x h LEU 19 CO -0.12 0.70 0.37 0.15 -0.34 0.00 0.00 178.44 179.20 3i8x h PHE 20 N 0.60 0.70 -0.39 1.25 3.57 -0.84 -0.46 116.94 121.36 3i8x h PHE 20 Ca 0.15 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3i8x h PHE 20 Cb 0.27 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3i8x h PHE 20 CO 0.01 0.39 -0.17 -0.91 -2.23 0.00 0.00 178.31 175.40 3i8x h ASN 21 N 0.73 0.74 -0.26 0.41 2.35 -1.07 -2.20 115.58 116.28 3i8x h ASN 21 Ca 0.25 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3i8x h ASN 21 Cb 0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3i8x h ASN 21 CO -0.11 0.92 -0.16 1.56 -1.65 0.00 0.00 177.43 177.98 3i8x h GLN 22 N 0.66 0.70 -0.01 0.81 4.20 -0.91 0.39 115.11 120.94 3i8x h GLN 22 Ca 0.10 -0.24 -0.21 0.00 0.06 0.00 0.00 58.65 58.36 3i8x h GLN 22 Cb 0.66 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3i8x h GLN 22 CO 0.05 0.82 -0.88 -0.07 -0.67 0.00 0.00 178.83 178.08 3i8x h LEU 23 N 0.62 0.43 0.00 1.46 3.38 -0.90 -3.36 115.31 116.95 3i8x h LEU 23 Ca 0.10 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3i8x h LEU 23 Cb 0.62 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3i8x h LEU 23 CO 0.04 1.12 -1.88 0.35 0.09 0.00 0.00 178.44 178.16 3i8x n THR 24 N -3.74 0.27 -1.41 0.22 -2.24 -0.84 -4.57 114.28 101.97 3i8x n THR 24 Ca -0.05 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3i8x n THR 24 Cb 0.80 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.62 2.95 0.53 3.38 0.00 0.13 -1.43 105.19 112.37 3i8x n GLY 25 Ca -0.09 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 2.25 1.58 -3.40 1.61 3.41 -1.26 -4.39 113.62 113.41 3i8x n SER 26 Ca 0.00 -1.76 -0.39 0.00 -0.26 0.00 0.00 58.87 56.46 3i8x n SER 26 Cb 0.00 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.29 4.22 -4.03 4.33 1.74 -0.51 -4.91 116.66 117.79 3i8x n ARG 27 Ca 0.15 -2.92 -0.09 0.00 -0.77 0.00 0.00 57.85 54.22 3i8x n ARG 27 Cb 0.30 -2.70 -0.09 0.00 -1.02 0.00 0.00 32.46 28.95 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 0.24 0.88 0.06 5.56 -2.07 -1.26 -0.84 119.66 122.23 3i8x s GLN 28 Ca 0.61 -1.22 0.02 0.00 -1.82 0.00 0.00 55.36 52.96 3i8x s GLN 28 Cb 0.18 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.36 3i8x s GLN 28 CO -0.08 -0.26 -0.08 0.50 -1.32 0.00 0.00 175.29 174.05 3i8x s ARG 29 N -3.96 0.63 -0.20 9.60 3.00 0.29 -4.98 118.95 123.33 3i8x s ARG 29 Ca 0.14 -0.91 -0.02 0.00 -1.00 0.00 0.00 55.73 53.93 3i8x s ARG 29 Cb 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 34.95 34.69 3i8x s ARG 29 CO -0.05 0.04 -0.09 0.08 0.00 0.00 0.00 175.30 175.29 3i8x s VAL 30 N -1.91 3.06 0.00 7.11 1.01 -1.26 -2.32 120.40 126.08 3i8x s VAL 30 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3i8x s VAL 30 Cb -0.06 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3i8x s VAL 30 CO -0.01 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3i8x n GLY 31 N 4.58 5.89 3.13 4.51 0.00 0.57 -4.97 105.19 118.88 3i8x n GLY 31 Ca -0.19 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 1.00 0.16 0.43 1.61 2.20 -1.26 -1.40 114.94 117.69 3i8x s ASN 32 Ca 0.00 -0.52 -0.23 0.00 -0.94 0.00 0.00 52.86 51.16 3i8x s ASN 32 Cb 0.00 0.24 -0.08 0.00 -2.00 0.00 0.00 41.25 39.41 3i8x s ASN 32 CO 0.00 -0.52 1.11 0.26 -2.94 0.00 0.00 177.10 175.01 3i8x s TRP 33 N -2.66 3.06 -0.16 1.54 0.52 0.22 -4.62 118.94 116.84 3i8x s TRP 33 Ca -0.04 1.58 -0.31 0.00 0.02 0.00 0.00 56.10 57.35 3i8x s TRP 33 Cb -0.01 -3.26 -0.09 0.00 -1.15 0.00 0.00 33.47 28.96 3i8x s TRP 33 CO -0.05 -1.09 2.07 0.00 0.02 0.00 0.00 176.95 177.90 3i8x n ALA 34 N -0.28 1.36 -1.98 0.98 0.00 -1.26 -2.15 120.51 117.19 3i8x n ALA 34 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3i8x n ALA 34 Cb 0.49 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 5.28 0.47 3.53 0.00 0.00 -1.26 -5.04 105.19 108.16 3i8x n GLY 35 Ca 0.28 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.08 0.00 0.33 1.61 -7.23 -0.91 -5.02 120.40 107.10 3i8x s VAL 36 Ca 0.00 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 3i8x s VAL 36 Cb 0.00 -2.27 0.18 0.00 0.56 0.00 0.00 36.38 34.84 3i8x s VAL 36 CO 0.00 0.00 1.89 0.74 -0.31 0.00 0.00 175.10 177.42 3i8x h THR 37 N 2.30 1.19 -2.80 5.32 2.02 -1.97 -3.42 112.91 115.56 3i8x h THR 37 Ca -0.28 -0.70 -0.52 0.00 0.77 0.00 0.00 66.41 65.68 3i8x h THR 37 Cb 1.25 0.76 0.06 0.00 -1.74 0.00 0.00 68.15 68.48 3i8x h THR 37 CO 0.38 0.25 0.97 -0.69 0.37 0.00 0.00 175.52 176.81 3i8x s VAL 38 N -5.15 2.11 0.10 3.16 1.01 -1.26 -4.82 120.40 115.55 3i8x s VAL 38 Ca -0.08 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3i8x s VAL 38 Cb 0.16 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3i8x s VAL 38 CO 0.77 0.01 1.18 -0.70 0.00 0.00 0.00 175.10 176.36 3i8x s GLU 39 N 0.90 4.47 -0.38 2.72 2.12 -1.26 -0.61 118.70 126.66 3i8x s GLU 39 Ca 0.72 1.78 -0.03 0.00 0.36 0.00 0.00 54.97 57.80 3i8x s GLU 39 Cb -0.49 -3.32 0.09 0.00 0.26 0.00 0.00 34.13 30.68 3i8x s GLU 39 CO 0.34 -0.17 0.15 0.50 -0.54 0.00 0.00 175.26 175.54 3i8x s ARG 40 N 0.61 2.10 -0.02 4.30 3.52 -0.49 -4.71 118.95 124.26 3i8x s ARG 40 Ca 0.56 -1.67 -0.24 0.00 -0.13 0.00 0.00 55.73 54.25 3i8x s ARG 40 Cb -0.30 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 3i8x s ARG 40 CO 0.31 -0.95 0.73 0.15 -0.81 0.00 0.00 175.30 174.73 3i8x s LYS 41 N 1.17 4.45 0.11 5.12 1.02 -1.26 -0.32 119.74 130.03 3i8x s LYS 41 Ca 0.05 0.96 0.07 0.00 0.02 0.00 0.00 55.97 57.06 3i8x s LYS 41 Cb -0.22 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 3i8x s LYS 41 CO -0.03 0.15 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.16 3i8x s GLU 42 N 0.47 1.04 0.34 1.68 2.02 -0.98 -0.78 118.70 122.48 3i8x s GLU 42 Ca 0.38 -1.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 3i8x s GLU 42 Cb -0.19 -1.13 0.01 0.00 0.10 0.00 0.00 34.13 32.92 3i8x s GLU 42 CO 0.20 0.25 0.51 0.20 0.02 0.00 0.00 175.26 176.44 3i8x s GLY 43 N -2.08 1.24 0.09 -1.39 0.00 -0.21 -0.54 107.32 104.42 3i8x s GLY 43 Ca 0.06 -1.35 0.08 0.00 0.00 0.00 0.00 44.72 43.51 3i8x s GLY 43 CO 0.04 -0.87 -0.22 1.20 0.00 0.00 0.00 173.10 173.24 3i8x s GLN 44 N -3.08 1.27 0.22 2.90 -1.52 -0.02 -0.73 119.66 118.70 3i8x s GLN 44 Ca 0.28 -1.13 -0.22 0.00 -1.95 0.00 0.00 55.36 52.34 3i8x s GLN 44 Cb -0.01 -1.52 0.04 0.00 -0.22 0.00 0.00 33.01 31.30 3i8x s GLN 44 CO 0.18 0.37 0.70 -0.59 -0.25 0.00 0.00 175.29 175.69 3i8x s PHE 45 N -1.03 -0.31 0.12 0.91 -0.71 -0.76 -4.35 117.98 111.85 3i8x s PHE 45 Ca 0.08 -0.04 0.09 0.00 -1.04 0.00 0.00 56.93 56.02 3i8x s PHE 45 Cb -0.10 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 3i8x s PHE 45 CO 0.04 -1.05 -0.20 -1.12 -1.34 0.00 0.00 175.22 171.55 3i8x s SER 46 N -2.85 3.77 0.22 1.98 0.01 -1.26 -0.27 113.70 115.31 3i8x s SER 46 Ca 0.07 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.74 3i8x s SER 46 Cb -0.04 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.72 3i8x s SER 46 CO -0.01 0.17 0.08 0.35 0.41 0.00 0.00 173.24 174.25 3i8x n THR 47 N 0.78 0.00 -0.19 1.44 -2.24 -0.30 -4.99 114.28 108.77 3i8x n THR 47 Ca -0.16 -0.97 -0.00 0.00 -2.27 0.00 0.00 64.05 60.65 3i8x n THR 47 Cb 0.53 -0.03 0.23 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.86 1.20 0.00 4.28 2.02 -2.00 -3.31 112.91 115.95 3i8x h THR 48 Ca -0.16 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3i8x h THR 48 Cb 0.54 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3i8x h THR 48 CO 0.26 0.21 -0.65 0.47 0.37 0.00 0.00 175.52 176.19 3i8x n ASP 49 N -4.39 1.08 -4.04 4.18 8.00 -1.26 -5.06 116.55 115.07 3i8x n ASP 49 Ca 0.07 -0.51 -0.15 0.00 0.71 0.00 0.00 54.79 54.90 3i8x n ASP 49 Cb 0.08 1.10 -0.13 0.00 -0.02 0.00 0.00 41.12 42.15 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 -1.99 0.71 -0.28 1.24 3.76 -1.25 -4.57 115.29 112.90 3i8x s HIS 50 Ca 0.02 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 54.49 3i8x s HIS 50 Cb 0.06 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 3i8x s HIS 50 CO 0.34 -0.03 0.20 -1.14 -0.85 0.00 0.00 174.74 173.26 3i8x s GLN 51 N -0.98 3.93 -0.19 1.40 2.00 -1.01 -1.15 119.66 123.67 3i8x s GLN 51 Ca -0.03 -0.31 -0.05 0.00 -2.00 0.00 0.00 55.36 52.96 3i8x s GLN 51 Cb -0.07 -3.67 -0.03 0.00 0.80 0.00 0.00 33.01 30.05 3i8x s GLN 51 CO 0.00 -0.20 -0.01 0.08 -0.50 0.00 0.00 175.29 174.67 3i8x s VAL 52 N 1.78 4.00 -0.34 1.34 1.01 0.63 -1.14 120.40 127.66 3i8x s VAL 52 Ca 0.07 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 3i8x s VAL 52 Cb -0.16 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3i8x s VAL 52 CO 0.11 0.45 0.50 -0.89 0.00 0.00 0.00 175.10 175.27 3i8x s THR 53 N 0.76 5.03 -0.28 3.92 2.01 0.16 -1.82 115.64 125.43 3i8x s THR 53 Ca -0.00 0.35 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 3i8x s THR 53 Cb -0.14 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 3i8x s THR 53 CO 0.02 -0.19 0.22 -0.22 -0.69 0.00 0.00 174.62 173.76 3i8x s LEU 54 N 2.36 4.03 -0.27 4.42 2.96 0.09 -0.43 118.68 131.84 3i8x s LEU 54 Ca 0.18 0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 3i8x s LEU 54 Cb -0.16 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 3i8x s LEU 54 CO 0.13 -0.06 0.09 -0.69 -1.32 0.00 0.00 176.35 174.49 3i8x s VAL 55 N 1.76 4.30 -0.37 1.68 1.01 0.77 -1.05 120.40 128.51 3i8x s VAL 55 Ca 0.08 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 3i8x s VAL 55 Cb -0.16 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.15 3i8x s VAL 55 CO 0.10 0.24 1.00 -0.62 0.00 0.00 0.00 175.10 175.82 3i8x s ASP 56 N 1.59 6.74 0.24 3.32 2.15 0.04 -0.78 116.67 129.98 3i8x s ASP 56 Ca 0.05 0.70 -0.04 0.00 0.43 0.00 0.00 52.55 53.69 3i8x s ASP 56 Cb -0.16 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 3i8x s ASP 56 CO 0.04 -0.92 0.49 -0.76 -0.17 0.00 0.00 175.17 173.85 3i8x s LEU 57 N 3.66 4.13 0.53 -1.34 1.43 -0.55 -4.40 118.68 122.15 3i8x s LEU 57 Ca 0.42 0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 53.94 3i8x s LEU 57 Cb -0.11 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 3i8x s LEU 57 CO 0.19 -0.12 1.18 -2.65 0.23 0.00 0.00 176.35 175.19 3i8x n PRO 58 N -0.67 1.44 -2.06 1.29 -0.02 -1.26 -4.79 135.00 128.92 3i8x n PRO 58 Ca -0.02 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3i8x n PRO 58 Cb 0.53 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3i8x n PRO 58 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i8x s GLY 59 N -0.94 1.72 -0.07 -1.23 0.00 -1.26 -4.70 107.32 100.84 3i8x s GLY 59 Ca 0.70 1.11 -0.22 0.00 0.00 0.00 0.00 44.72 46.31 3i8x s GLY 59 CO 0.51 2.65 0.51 -1.08 0.00 0.00 0.00 173.10 175.69 3i8x s THR 60 N 2.15 0.02 -0.36 0.90 -1.32 -0.42 -4.55 115.64 112.05 3i8x s THR 60 Ca 0.69 -0.18 0.23 0.00 -1.21 0.00 0.00 61.69 61.22 3i8x s THR 60 Cb -0.37 -0.80 0.16 0.00 -1.51 0.00 0.00 72.50 69.97 3i8x s THR 60 CO 0.30 -0.10 1.33 1.88 -2.21 0.00 0.00 174.62 175.82 3i8x h TYR 61 N 3.81 0.00 -2.54 9.09 0.05 -1.94 -2.98 116.97 122.47 3i8x h TYR 61 Ca -0.28 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 3i8x h TYR 61 Cb 1.16 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.75 3i8x h TYR 61 CO 0.44 0.00 0.24 0.45 -1.05 0.00 0.00 178.16 178.23 3i8x s SER 62 N -5.64 -0.58 0.07 3.88 0.15 -1.26 -3.41 113.70 106.90 3i8x s SER 62 Ca 0.03 0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.21 3i8x s SER 62 Cb 0.08 0.55 0.46 0.00 -1.71 0.00 0.00 66.02 65.40 3i8x s SER 62 CO 0.73 -0.79 1.39 0.18 1.20 0.00 0.00 173.24 175.95 3i8x n LEU 63 N 0.13 0.58 -4.18 3.45 4.77 -1.26 -4.73 117.00 115.76 3i8x n LEU 63 Ca -0.17 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 3i8x n LEU 63 Cb 0.62 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 3i8x n LEU 63 CO 0.16 0.02 -0.04 0.42 -1.33 0.00 0.00 177.39 176.62 3i8x s THR 64 N -3.09 0.00 -0.01 -5.08 -4.23 -1.26 -4.49 115.64 97.48 3i8x s THR 64 Ca 0.09 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3i8x s THR 64 Cb 0.15 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3i8x s THR 64 CO 0.70 0.00 -0.03 -0.89 -0.54 0.00 0.00 174.62 173.86 3i8x s THR 65 N -3.52 0.28 -0.18 3.99 2.01 -1.26 -5.04 115.64 111.92 3i8x s THR 65 Ca 0.36 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 3i8x s THR 65 Cb 0.02 -0.26 -0.13 0.00 0.01 0.00 0.00 72.50 72.14 3i8x s THR 65 CO 0.20 0.09 0.09 0.40 -0.69 0.00 0.00 174.62 174.71 3i8x h ILE 66 N 5.25 0.59 -0.23 1.82 1.08 -1.95 -3.41 117.51 120.66 3i8x h ILE 66 Ca -0.29 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 3i8x h ILE 66 Cb 1.19 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 3i8x h ILE 66 CO 0.50 0.20 0.00 -1.20 -0.69 0.00 0.00 178.15 176.96 3i8x n SER 67 N -4.51 3.14 -1.09 1.72 7.64 -1.26 -4.53 113.62 114.73 3i8x n SER 67 Ca -0.22 -1.95 -0.01 0.00 1.01 0.00 0.00 58.87 57.71 3i8x n SER 67 Cb 0.51 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3i8x n SER 67 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i8x n SER 68 N 1.33 -0.09 -4.79 6.43 3.41 -1.26 -5.17 113.62 113.47 3i8x n SER 68 Ca 0.16 -1.08 -0.35 0.00 -0.26 0.00 0.00 58.87 57.34 3i8x n SER 68 Cb 0.57 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 3i8x n SER 68 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i8x s GLN 69 N -2.02 3.91 -0.19 4.33 0.74 -1.26 -4.76 119.66 120.41 3i8x s GLN 69 Ca 0.01 1.39 -0.11 0.00 0.05 0.00 0.00 55.36 56.71 3i8x s GLN 69 Cb -0.00 -2.21 -0.05 0.00 1.10 0.00 0.00 33.01 31.85 3i8x s GLN 69 CO 0.01 -0.34 0.16 -0.08 -0.55 0.00 0.00 175.29 174.49 3i8x s THR 70 N -1.90 5.39 0.89 -0.34 -1.32 -1.26 -4.86 115.64 112.24 3i8x s THR 70 Ca 0.65 0.26 -0.12 0.00 -1.21 0.00 0.00 61.69 61.26 3i8x s THR 70 Cb -0.18 -3.50 0.13 0.00 -1.51 0.00 0.00 72.50 67.44 3i8x s THR 70 CO 0.22 0.43 1.12 -0.94 -2.21 0.00 0.00 174.62 173.23 3i8x s SER 71 N 0.40 3.63 0.16 8.08 1.04 -1.26 -4.88 113.70 120.87 3i8x s SER 71 Ca 0.10 1.11 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 3i8x s SER 71 Cb -0.11 -1.74 0.02 0.00 0.10 0.00 0.00 66.02 64.29 3i8x s SER 71 CO -0.01 -2.49 1.58 0.25 0.98 0.00 0.00 173.24 173.55 3i8x h LEU 72 N -1.45 0.97 -0.74 2.42 5.85 -1.98 -1.81 115.31 118.56 3i8x h LEU 72 Ca -0.50 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 57.89 3i8x h LEU 72 Cb 1.31 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3i8x h LEU 72 CO 0.60 1.09 0.48 0.44 -0.34 0.00 0.00 178.44 180.71 3i8x h ASP 73 N 0.83 0.81 -0.36 1.25 5.19 -1.94 0.24 116.42 122.44 3i8x h ASP 73 Ca 0.13 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3i8x h ASP 73 Cb 0.64 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 3i8x h ASP 73 CO 0.04 0.57 0.21 -0.33 -3.12 0.00 0.00 179.24 176.61 3i8x h GLU 74 N 0.95 0.50 -0.55 3.56 5.08 -1.82 0.10 114.58 122.40 3i8x h GLU 74 Ca 0.29 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3i8x h GLU 74 Cb -0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3i8x h GLU 74 CO -0.09 0.39 0.16 1.96 -1.00 0.00 0.00 179.01 180.43 3i8x h GLN 75 N 0.46 0.87 0.05 2.33 4.20 -0.94 0.46 115.11 122.55 3i8x h GLN 75 Ca 0.13 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3i8x h GLN 75 Cb 0.03 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3i8x h GLN 75 CO -0.02 0.79 -0.03 0.82 -0.67 0.00 0.00 178.83 179.73 3i8x h ILE 76 N 0.78 1.00 -0.41 2.54 2.04 -0.49 -1.25 117.51 121.72 3i8x h ILE 76 Ca 0.18 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3i8x h ILE 76 Cb 0.30 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3i8x h ILE 76 CO -0.00 0.04 0.24 0.00 0.00 0.00 0.00 178.15 178.43 3i8x h ALA 77 N 0.80 0.52 -0.24 1.87 0.00 -0.65 -2.04 119.26 119.51 3i8x h ALA 77 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3i8x h ALA 77 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i8x h ALA 77 CO 0.01 0.02 0.02 0.00 0.00 0.00 0.00 179.25 179.30 3i8x h HIS 79 N 0.20 1.10 -0.21 0.00 6.17 -1.16 -2.02 115.15 119.22 3i8x h HIS 79 Ca 0.07 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 3i8x h HIS 79 Cb 0.37 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 3i8x h HIS 79 CO 0.03 0.77 0.10 -0.92 0.71 0.00 0.00 177.93 178.62 3i8x h TYR 80 N 1.10 0.30 -0.54 5.26 3.20 -1.27 -0.97 116.97 124.05 3i8x h TYR 80 Ca 0.28 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 3i8x h TYR 80 Cb 0.05 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 3i8x h TYR 80 CO 0.00 0.30 0.32 0.82 -1.64 0.00 0.00 178.16 177.96 3i8x h ILE 81 N 0.21 1.16 0.00 1.81 1.08 -1.18 -2.32 117.51 118.28 3i8x h ILE 81 Ca 0.07 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3i8x h ILE 81 Cb 0.11 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 3i8x h ILE 81 CO -0.01 0.17 0.00 0.18 -0.69 0.00 0.00 178.15 177.80 3i8x n LEU 82 N -4.66 0.73 0.17 1.44 4.77 -0.78 -3.18 117.00 115.48 3i8x n LEU 82 Ca 0.03 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.64 3i8x n LEU 82 Cb 0.06 -0.39 0.46 0.00 -2.33 0.00 0.00 43.42 41.22 3i8x n LEU 82 CO 0.36 -0.25 0.92 0.77 -1.33 0.00 0.00 177.39 177.86 3i8x h SER 83 N 0.00 0.13 0.00 -1.43 4.64 -0.58 -3.47 113.55 112.84 3i8x h SER 83 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3i8x h SER 83 Cb 0.64 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3i8x h SER 83 CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 3i8x n GLY 84 N -1.01 0.61 0.33 -0.77 0.00 -1.19 -4.95 105.19 98.20 3i8x n GLY 84 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3i8x n GLY 84 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3i8x h ASP 85 N 0.00 0.64 -3.53 1.61 3.58 -1.87 -3.42 116.42 113.43 3i8x h ASP 85 Ca 0.00 0.09 -0.53 0.00 0.42 0.00 0.00 57.03 57.01 3i8x h ASP 85 Cb 0.02 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3i8x h ASP 85 CO 0.00 0.27 0.19 0.00 -2.88 0.00 0.00 179.24 176.82 3i8x s ALA 86 N -5.94 3.44 0.19 -0.78 0.00 -1.26 -4.80 121.76 112.61 3i8x s ALA 86 Ca -0.12 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.25 3i8x s ALA 86 Cb 0.23 -2.97 0.08 0.00 0.00 0.00 0.00 23.12 20.45 3i8x s ALA 86 CO 0.79 0.28 1.44 -0.44 0.00 0.00 0.00 175.76 177.82 3i8x h ASP 87 N 4.39 0.24 -5.01 0.00 3.32 -0.48 -3.48 116.42 115.40 3i8x h ASP 87 Ca -0.47 -0.18 0.06 0.00 0.02 0.00 0.00 57.03 56.46 3i8x h ASP 87 Cb 1.21 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.62 3i8x h ASP 87 CO 0.66 0.93 0.24 -1.48 -1.72 0.00 0.00 179.24 177.87 3i8x s LEU 88 N -7.57 -0.32 -0.02 1.55 2.34 -1.17 -4.60 118.68 108.90 3i8x s LEU 88 Ca -0.03 -0.48 0.08 0.00 0.06 0.00 0.00 54.13 53.76 3i8x s LEU 88 Cb 0.11 2.68 -0.02 0.00 -0.56 0.00 0.00 46.19 48.39 3i8x s LEU 88 CO 0.82 -1.25 -0.25 -0.76 -1.06 0.00 0.00 176.35 173.84 3i8x s LEU 89 N -2.89 2.05 -0.32 1.48 1.43 0.33 -2.04 118.68 118.73 3i8x s LEU 89 Ca 0.09 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3i8x s LEU 89 Cb -0.05 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3i8x s LEU 89 CO 0.03 0.31 0.17 -0.63 0.23 0.00 0.00 176.35 176.45 3i8x s ILE 90 N -0.60 4.69 -0.42 -0.59 1.01 -0.24 -0.80 121.20 124.25 3i8x s ILE 90 Ca 0.10 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 3i8x s ILE 90 Cb -0.10 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 39.01 3i8x s ILE 90 CO -0.01 0.05 0.31 0.21 0.00 0.00 0.00 174.94 175.50 3i8x s ASN 91 N 1.63 6.05 -0.16 3.58 3.04 0.57 -1.67 114.94 127.98 3i8x s ASN 91 Ca 0.05 -1.06 -0.26 0.00 0.04 0.00 0.00 52.86 51.63 3i8x s ASN 91 Cb -0.17 -2.14 -0.01 0.00 -1.54 0.00 0.00 41.25 37.38 3i8x s ASN 91 CO 0.07 -0.50 0.86 -0.69 -3.04 0.00 0.00 177.10 173.80 3i8x s VAL 92 N 1.64 4.87 -0.10 -5.21 1.01 0.35 -0.52 120.40 122.44 3i8x s VAL 92 Ca 0.04 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.76 3i8x s VAL 92 Cb -0.21 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3i8x s VAL 92 CO 0.08 0.03 -0.20 -0.69 0.00 0.00 0.00 175.10 174.32 3i8x s VAL 93 N 2.09 1.79 -0.47 2.92 1.01 0.57 -4.23 120.40 124.08 3i8x s VAL 93 Ca 0.40 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 3i8x s VAL 93 Cb -0.17 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.67 3i8x s VAL 93 CO 0.13 0.50 1.07 -0.62 0.00 0.00 0.00 175.10 176.18 3i8x s ASP 94 N 0.56 6.59 0.63 3.32 2.15 -1.26 0.19 116.67 128.84 3i8x s ASP 94 Ca -0.15 0.35 0.40 0.00 0.43 0.00 0.00 52.55 53.58 3i8x s ASP 94 Cb -0.17 -2.52 2.19 0.00 -0.30 0.00 0.00 42.92 42.13 3i8x s ASP 94 CO 0.05 -1.18 2.23 0.00 -0.17 0.00 0.00 175.17 176.10 3i8x h ALA 95 N 9.18 1.04 -0.01 3.66 0.00 -1.11 -2.44 119.26 129.58 3i8x h ALA 95 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3i8x h ALA 95 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i8x h ALA 95 CO 1.09 -0.04 -0.20 -1.13 0.00 0.00 0.00 179.25 178.97 3i8x n SER 96 N -2.95 0.88 -2.94 0.00 3.41 -1.26 -4.12 113.62 106.63 3i8x n SER 96 Ca -0.03 -0.82 -0.14 0.00 -0.26 0.00 0.00 58.87 57.63 3i8x n SER 96 Cb 0.10 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.71 0.80 -0.05 4.04 3.02 -0.92 -4.97 115.26 116.47 3i8x n ASN 97 Ca 0.13 -2.91 -0.12 0.00 -0.03 0.00 0.00 54.58 51.65 3i8x n ASN 97 Cb 0.33 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 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 2.96 0.30 -0.44 3.41 5.85 -1.71 -2.10 115.31 123.58 3i8x h LEU 98 Ca -0.00 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.41 3i8x h LEU 98 Cb 1.07 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 3i8x h LEU 98 CO 0.46 0.62 0.07 -0.08 -0.34 0.00 0.00 178.44 179.17 3i8x h GLU 99 N -0.02 0.19 -0.26 1.25 4.81 -1.93 -0.91 114.58 117.71 3i8x h GLU 99 Ca 0.04 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3i8x h GLU 99 Cb 0.49 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3i8x h GLU 99 CO 0.02 0.13 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.08 3i8x h ARG 100 N 0.20 0.50 0.00 1.92 2.43 -1.96 -3.18 114.38 114.29 3i8x h ARG 100 Ca 0.22 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3i8x h ARG 100 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3i8x h ARG 100 CO -0.30 0.72 -0.30 -0.91 -1.51 0.00 0.00 179.97 177.67 3i8x h ASN 101 N 0.44 0.00 1.04 -3.80 2.35 -0.61 -3.26 115.58 111.74 3i8x h ASN 101 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3i8x h ASN 101 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3i8x h ASN 101 CO 0.05 0.30 0.00 0.18 -1.65 0.00 0.00 177.43 176.31 3i8x n LEU 102 N -3.22 0.47 -0.10 1.61 4.77 -0.43 -3.53 117.00 116.58 3i8x n LEU 102 Ca 0.02 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 3i8x n LEU 102 Cb 0.60 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3i8x n LEU 102 CO 0.37 -0.24 0.88 0.22 -1.33 0.00 0.00 177.39 177.29 3i8x h TYR 103 N 0.00 0.47 -0.56 -1.77 3.20 -1.66 -1.40 116.97 115.25 3i8x h TYR 103 Ca 0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 3i8x h TYR 103 Cb 0.52 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3i8x h TYR 103 CO 0.00 0.46 0.17 1.25 -1.64 0.00 0.00 178.16 178.40 3i8x h LEU 104 N 0.34 0.83 -0.72 2.82 5.85 -1.60 -3.16 115.31 119.67 3i8x h LEU 104 Ca 0.10 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3i8x h LEU 104 Cb 0.20 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3i8x h LEU 104 CO -0.01 0.82 0.37 0.74 -0.34 0.00 0.00 178.44 180.03 3i8x h THR 105 N 0.79 0.87 -0.79 1.05 2.02 -1.55 -2.19 112.91 113.11 3i8x h THR 105 Ca 0.18 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3i8x h THR 105 Cb 0.30 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 3i8x h THR 105 CO -0.00 0.12 0.49 0.25 0.37 0.00 0.00 175.52 176.74 3i8x h LEU 106 N 0.63 0.94 0.12 2.58 5.85 -1.29 -1.09 115.31 123.06 3i8x h LEU 106 Ca 0.35 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3i8x h LEU 106 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3i8x h LEU 106 CO -0.26 0.72 -0.21 1.56 -0.34 0.00 0.00 178.44 179.91 3i8x h GLN 107 N 1.08 -0.39 -0.99 1.25 4.20 -1.37 0.27 115.11 119.17 3i8x h GLN 107 Ca 0.29 0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.07 3i8x h GLN 107 Cb -0.06 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 3i8x h GLN 107 CO -0.06 -0.26 0.65 -0.07 -0.67 0.00 0.00 178.83 178.42 3i8x h LEU 108 N -0.40 1.06 0.02 1.46 3.38 -1.15 -0.85 115.31 118.82 3i8x h LEU 108 Ca 0.02 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 3i8x h LEU 108 Cb 0.42 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i8x h LEU 108 CO -0.11 0.71 -1.14 -0.07 0.09 0.00 0.00 178.44 177.91 3i8x h LEU 109 N 1.22 0.48 -1.36 1.67 3.38 -0.88 -2.20 115.31 117.61 3i8x h LEU 109 Ca 0.41 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3i8x h LEU 109 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3i8x h LEU 109 CO -0.14 1.32 -0.32 -0.33 0.09 0.00 0.00 178.44 179.06 3i8x h GLU 110 N 0.13 0.00 -0.00 1.13 5.08 -0.28 -2.34 114.58 118.30 3i8x h GLU 110 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i8x h GLU 110 Cb 1.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.08 3i8x h GLU 110 CO 0.19 0.32 -0.01 1.28 -1.00 0.00 0.00 179.01 179.79 3i8x n LEU 111 N -4.06 0.06 -0.13 1.33 4.77 -0.34 -4.72 117.00 113.92 3i8x n LEU 111 Ca -0.02 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 3i8x n LEU 111 Cb 0.37 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3i8x n LEU 111 CO 0.37 0.01 -0.02 0.61 -1.33 0.00 0.00 177.39 177.04 3i8x n GLY 112 N 1.18 0.52 3.70 -0.72 0.00 -0.88 -4.49 105.19 104.50 3i8x n GLY 112 Ca 0.18 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.94 4.10 0.03 -0.61 -1.09 -0.84 -4.93 121.20 115.92 3i8x s ILE 113 Ca 0.00 1.46 -0.36 0.00 -2.23 0.00 0.00 60.65 59.53 3i8x s ILE 113 Cb 0.00 -3.94 -0.15 0.00 -1.58 0.00 0.00 42.46 36.79 3i8x s ILE 113 CO 0.00 0.03 1.58 -2.65 -1.23 0.00 0.00 174.94 172.68 3i8x n PRO 114 N 4.83 1.71 -4.04 2.79 -0.02 -1.26 -4.73 135.00 134.29 3i8x n PRO 114 Ca 0.11 0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 62.06 3i8x n PRO 114 Cb 0.46 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.13 1.82 -0.17 0.00 1.01 0.02 -4.09 121.20 119.92 3i8x s ILE 116 Ca -0.01 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.55 3i8x s ILE 116 Cb -0.04 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 3i8x s ILE 116 CO -0.00 0.51 0.66 -0.69 0.00 0.00 0.00 174.94 175.41 3i8x s VAL 117 N 0.54 5.01 -0.36 2.92 1.01 -0.48 -0.32 120.40 128.73 3i8x s VAL 117 Ca -0.15 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 3i8x s VAL 117 Cb -0.17 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3i8x s VAL 117 CO 0.05 0.13 0.23 0.00 0.00 0.00 0.00 175.10 175.51 3i8x s ALA 118 N 1.73 3.41 -0.40 5.51 0.00 0.33 -0.37 121.76 131.96 3i8x s ALA 118 Ca 0.31 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 3i8x s ALA 118 Cb -0.16 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.32 3i8x s ALA 118 CO 0.12 -1.17 0.55 -1.17 0.00 0.00 0.00 175.76 174.09 3i8x s LEU 119 N 1.66 4.53 0.53 0.00 0.20 0.12 -0.31 118.68 125.40 3i8x s LEU 119 Ca 0.05 -0.30 0.05 0.00 0.69 0.00 0.00 54.13 54.61 3i8x s LEU 119 Cb -0.18 -2.60 0.03 0.00 -0.43 0.00 0.00 46.19 43.01 3i8x s LEU 119 CO 0.09 -0.62 0.34 0.21 -0.29 0.00 0.00 176.35 176.07 3i8x s ASN 120 N 1.87 4.55 -1.54 3.68 3.84 0.13 -0.22 114.94 127.25 3i8x s ASN 120 Ca 0.19 -1.30 -0.03 0.00 0.21 0.00 0.00 52.86 51.93 3i8x s ASN 120 Cb -0.15 0.39 0.00 0.00 -0.55 0.00 0.00 41.25 40.94 3i8x s ASN 120 CO 0.16 -1.04 0.38 0.23 -2.79 0.00 0.00 177.10 174.03 3i8x n MET 121 N -1.67 -3.58 -0.14 0.43 2.81 -1.26 -0.61 117.12 113.10 3i8x n MET 121 Ca -0.04 0.89 -0.06 0.00 -1.81 0.00 0.00 57.70 56.68 3i8x n MET 121 Cb 0.65 -5.58 0.12 0.00 -0.71 0.00 0.00 33.22 27.69 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 -0.86 0.85 -1.09 4.03 3.38 -1.87 -1.57 115.31 118.18 3i8x h LEU 122 Ca -0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 3i8x h LEU 122 Cb 1.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3i8x h LEU 122 CO 0.54 0.92 0.36 -2.24 0.09 0.00 0.00 178.44 178.11 3i8x h ASP 123 N 0.82 0.89 -0.24 -0.43 3.04 -1.95 -1.03 116.42 117.52 3i8x h ASP 123 Ca 0.15 -0.09 -0.04 0.00 -3.24 0.00 0.00 57.03 53.82 3i8x h ASP 123 Cb 0.49 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.55 3i8x h ASP 123 CO 0.02 0.74 -0.00 0.40 -2.04 0.00 0.00 179.24 178.37 3i8x h ILE 124 N 1.00 1.26 -0.52 4.15 2.04 -1.69 -1.45 117.51 122.29 3i8x h ILE 124 Ca 0.25 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3i8x h ILE 124 Cb 0.07 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3i8x h ILE 124 CO -0.04 0.28 0.30 0.00 0.00 0.00 0.00 178.15 178.69 3i8x h ALA 125 N 0.80 1.55 0.14 1.87 0.00 -1.32 -2.36 119.26 119.95 3i8x h ALA 125 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i8x h ALA 125 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i8x h ALA 125 CO 0.01 0.38 -0.07 1.49 0.00 0.00 0.00 179.25 181.07 3i8x h GLU 126 N 0.71 -0.18 -0.99 0.00 4.81 -0.81 0.52 114.58 118.64 3i8x h GLU 126 Ca 0.19 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.62 3i8x h GLU 126 Cb -0.01 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 3i8x h GLU 126 CO -0.03 0.11 0.61 0.87 -0.73 0.00 0.00 179.01 179.84 3i8x h LYS 127 N -0.47 0.68 -0.49 1.92 1.57 -1.10 0.35 116.57 119.03 3i8x h LYS 127 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i8x h LYS 127 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3i8x h LYS 127 CO 0.03 0.45 0.00 1.04 -0.57 0.00 0.00 179.45 180.40 3i8x n GLN 128 N -4.71 1.54 -3.30 3.15 6.02 -0.90 -4.87 117.38 114.30 3i8x n GLN 128 Ca 0.23 -0.58 -0.24 0.00 -0.01 0.00 0.00 57.00 56.40 3i8x n GLN 128 Cb 0.60 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 30.51 3i8x n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3i8x n ASN 129 N 0.02 -4.56 -4.65 1.08 3.02 0.12 -4.95 115.26 105.35 3i8x n ASN 129 Ca 0.05 -0.39 -0.38 0.00 -0.03 0.00 0.00 54.58 53.83 3i8x n ASN 129 Cb 0.27 -3.72 -0.08 0.00 -0.61 0.00 0.00 39.78 35.63 3i8x n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i8x s ILE 130 N -3.04 5.20 -0.04 2.41 1.01 0.18 -4.90 121.20 122.02 3i8x s ILE 130 Ca 0.39 0.63 0.05 0.00 0.00 0.00 0.00 60.65 61.73 3i8x s ILE 130 Cb -0.20 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3i8x s ILE 130 CO 0.48 0.23 -0.19 0.00 0.00 0.00 0.00 174.94 175.46 3i8x s ARG 131 N 1.55 1.86 -0.12 2.79 1.70 -1.26 -4.03 118.95 121.43 3i8x s ARG 131 Ca 0.17 -0.69 0.01 0.00 -0.47 0.00 0.00 55.73 54.75 3i8x s ARG 131 Cb -0.15 -1.66 0.02 0.00 -0.57 0.00 0.00 34.95 32.59 3i8x s ARG 131 CO 0.08 0.32 -0.16 0.42 -1.08 0.00 0.00 175.30 174.88 3i8x s ILE 132 N -0.15 1.62 -0.64 4.99 1.01 -1.26 -0.00 121.20 126.77 3i8x s ILE 132 Ca -0.00 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.67 3i8x s ILE 132 Cb -0.11 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.91 3i8x s ILE 132 CO 0.02 0.46 1.28 -0.70 0.00 0.00 0.00 174.94 176.00 3i8x s GLU 133 N 1.08 3.33 0.18 2.79 2.12 -0.15 -4.90 118.70 123.15 3i8x s GLU 133 Ca -0.04 0.11 -0.12 0.00 0.36 0.00 0.00 54.97 55.29 3i8x s GLU 133 Cb -0.14 -4.11 0.09 0.00 0.26 0.00 0.00 34.13 30.23 3i8x s GLU 133 CO -0.04 -1.93 1.76 0.82 -0.54 0.00 0.00 175.26 175.32 3i8x h ILE 134 N 6.17 1.22 -0.37 -3.70 5.03 -1.96 -2.21 117.51 121.69 3i8x h ILE 134 Ca -0.26 -0.63 -0.12 0.00 -0.12 0.00 0.00 64.86 63.72 3i8x h ILE 134 Cb 1.06 0.50 -0.01 0.00 -3.03 0.00 0.00 36.82 35.34 3i8x h ILE 134 CO 1.22 0.26 -0.26 0.44 -0.68 0.00 0.00 178.15 179.13 3i8x h ASP 135 N 0.85 0.79 -0.21 1.72 3.32 -1.93 0.34 116.42 121.30 3i8x h ASP 135 Ca 0.21 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3i8x h ASP 135 Cb 0.14 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3i8x h ASP 135 CO -0.02 1.01 0.05 0.00 -1.72 0.00 0.00 179.24 178.55 3i8x h ALA 136 N 1.04 0.22 -0.10 3.45 0.00 -1.93 0.14 119.26 122.08 3i8x h ALA 136 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i8x h ALA 136 Cb 0.78 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i8x h ALA 136 CO 0.06 -0.38 0.04 1.25 0.00 0.00 0.00 179.25 180.22 3i8x h LEU 137 N 0.13 0.15 -0.55 0.00 5.85 -1.25 -1.72 115.31 117.93 3i8x h LEU 137 Ca 0.09 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.72 3i8x h LEU 137 Cb 0.08 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 3i8x h LEU 137 CO -0.12 0.30 0.11 -1.28 -0.34 0.00 0.00 178.44 177.11 3i8x h SER 138 N -0.01 -0.00 -0.48 1.25 0.87 -0.81 0.22 113.55 114.59 3i8x h SER 138 Ca 0.03 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3i8x h SER 138 Cb 0.20 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3i8x h SER 138 CO -0.00 0.02 0.26 0.00 -0.53 0.00 0.00 176.83 176.58 3i8x h ALA 139 N 1.43 0.62 -0.01 6.23 0.00 -0.57 0.25 119.26 127.22 3i8x h ALA 139 Ca 0.28 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3i8x h ALA 139 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3i8x h ALA 139 CO -0.36 -0.07 -0.64 0.00 0.00 0.00 0.00 179.25 178.18 3i8x h ARG 140 N 0.52 0.02 0.00 0.00 3.08 -0.84 -3.22 114.38 113.94 3i8x h ARG 140 Ca 0.20 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 60.00 3i8x h ARG 140 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3i8x h ARG 140 CO -0.12 0.65 -1.28 -0.07 -1.07 0.00 0.00 179.97 178.07 3i8x h LEU 141 N 0.01 0.01 0.53 3.04 3.38 -0.76 -3.46 115.31 118.07 3i8x h LEU 141 Ca -0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3i8x h LEU 141 Cb 1.13 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3i8x h LEU 141 CO 0.08 1.01 -0.13 0.61 0.09 0.00 0.00 178.44 180.10 3i8x n GLY 142 N 1.44 0.57 3.18 0.83 0.00 0.87 -4.83 105.19 107.24 3i8x n GLY 142 Ca -0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.94 3.30 -0.19 0.00 0.02 -1.26 -4.51 135.00 128.42 3i8x s PRO 144 Ca 0.12 1.61 -0.00 0.00 0.02 0.00 0.00 61.00 62.75 3i8x s PRO 144 Cb 0.06 -2.00 0.05 0.00 0.02 0.00 0.00 34.50 32.63 3i8x s PRO 144 CO -0.06 -0.89 -0.05 0.08 -0.33 0.00 0.00 177.00 175.75 3i8x s VAL 145 N -1.80 1.18 -0.22 3.83 1.01 -1.26 -1.39 120.40 121.75 3i8x s VAL 145 Ca 0.73 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3i8x s VAL 145 Cb -0.24 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3i8x s VAL 145 CO 0.28 0.04 -0.04 -0.63 0.00 0.00 0.00 175.10 174.76 3i8x s ILE 146 N 1.59 3.43 -0.02 2.22 -1.09 0.50 -4.97 121.20 122.85 3i8x s ILE 146 Ca -0.01 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 57.63 3i8x s ILE 146 Cb -0.16 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3i8x s ILE 146 CO -0.07 0.42 1.30 -2.16 -1.23 0.00 0.00 174.94 173.21 3i8x s PRO 147 N 1.41 4.32 -1.34 2.79 0.05 -1.26 0.12 135.00 141.08 3i8x s PRO 147 Ca 0.05 1.83 -0.14 0.00 0.05 0.00 0.00 61.00 62.79 3i8x s PRO 147 Cb -0.14 -3.56 0.10 0.00 0.05 0.00 0.00 34.50 30.95 3i8x s PRO 147 CO -0.02 -0.51 1.91 1.28 0.05 0.00 0.00 177.00 179.70 3i8x n LEU 148 N 5.27 6.14 -4.67 -3.56 4.77 0.69 -4.43 117.00 121.21 3i8x n LEU 148 Ca 0.12 -4.28 -0.45 0.00 -0.03 0.00 0.00 56.01 51.37 3i8x n LEU 148 Cb 0.45 -1.62 -0.04 0.00 -2.33 0.00 0.00 43.42 39.87 3i8x n LEU 148 CO 0.57 0.92 1.56 0.52 -1.33 0.00 0.00 177.39 179.63 3i8x n VAL 149 N 4.83 0.66 -0.12 4.08 0.31 -1.26 -4.75 118.33 122.07 3i8x n VAL 149 Ca 0.46 -0.13 -0.12 0.00 -0.01 0.00 0.00 64.34 64.53 3i8x n VAL 149 Cb 0.40 -2.10 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 3i8x n VAL 149 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3i8x h SER 150 N 10.09 0.82 -1.27 4.52 4.64 -1.97 -1.03 113.55 129.34 3i8x h SER 150 Ca -0.49 -0.42 -0.67 0.00 -0.47 0.00 0.00 61.79 59.75 3i8x h SER 150 Cb 1.26 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3i8x h SER 150 CO 0.95 1.05 1.35 0.41 -0.87 0.00 0.00 176.83 179.72 3i8x n THR 151 N -4.26 0.24 -3.69 2.95 -1.04 -1.26 -2.44 114.28 104.78 3i8x n THR 151 Ca -0.02 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.05 61.50 3i8x n THR 151 Cb 0.43 -1.70 0.06 0.00 -1.82 0.00 0.00 70.33 67.30 3i8x n THR 151 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i8x n ARG 152 N 7.88 -6.78 -4.02 -2.82 5.12 -1.26 -2.71 116.66 112.07 3i8x n ARG 152 Ca 0.38 0.74 -0.33 0.00 -1.93 0.00 0.00 57.85 56.71 3i8x n ARG 152 Cb 0.24 -5.70 -0.04 0.00 -1.16 0.00 0.00 32.46 25.80 3i8x n ARG 152 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i8x n GLY 153 N -1.77 -0.44 0.24 -0.13 0.00 -1.02 -4.86 105.19 97.21 3i8x n GLY 153 Ca -0.05 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3i8x n GLY 153 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i8x h ARG 154 N -0.97 0.81 -0.94 1.61 3.08 -1.50 -2.64 114.38 113.84 3i8x h ARG 154 Ca -0.50 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.07 3i8x h ARG 154 Cb 1.32 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.37 3i8x h ARG 154 CO 0.70 1.11 0.60 0.78 -1.07 0.00 0.00 179.97 182.09 3i8x h GLY 155 N 0.82 1.34 1.01 0.04 0.00 -1.39 -1.55 103.07 103.34 3i8x h GLY 155 Ca 0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3i8x h GLY 155 CO 0.11 0.51 0.52 -2.22 0.00 0.00 0.00 176.54 175.46 3i8x h ILE 156 N 1.28 1.24 -0.40 2.60 1.08 -1.77 -0.66 117.51 120.88 3i8x h ILE 156 Ca 0.34 -0.52 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 3i8x h ILE 156 Cb -0.11 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.67 3i8x h ILE 156 CO -0.07 0.25 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.20 3i8x h GLU 157 N 1.18 0.78 -0.08 2.37 4.39 -1.10 -1.80 114.58 120.33 3i8x h GLU 157 Ca 0.31 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3i8x h GLU 157 Cb -0.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3i8x h GLU 157 CO -0.06 0.92 -0.14 0.00 -1.16 0.00 0.00 179.01 178.58 3i8x h ALA 158 N 0.84 1.63 -0.27 3.43 0.00 -1.14 -2.18 119.26 121.57 3i8x h ALA 158 Ca 0.10 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3i8x h ALA 158 Cb 0.64 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i8x h ALA 158 CO 0.04 0.27 -0.36 1.25 0.00 0.00 0.00 179.25 180.46 3i8x h LEU 159 N 0.11 0.78 -0.69 0.00 5.85 -0.85 -1.32 115.31 119.20 3i8x h LEU 159 Ca 0.02 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3i8x h LEU 159 Cb 0.32 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3i8x h LEU 159 CO 0.02 1.13 0.39 0.11 -0.34 0.00 0.00 178.44 179.75 3i8x h LYS 160 N 0.45 0.96 -0.55 1.25 1.57 -1.12 -1.39 116.57 117.75 3i8x h LYS 160 Ca 0.03 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3i8x h LYS 160 Cb 0.95 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3i8x h LYS 160 CO 0.08 0.70 0.35 1.25 -0.57 0.00 0.00 179.45 181.26 3i8x h LEU 161 N 0.95 0.64 -0.42 2.94 5.85 -1.33 -2.30 115.31 121.65 3i8x h LEU 161 Ca 0.25 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 3i8x h LEU 161 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3i8x h LEU 161 CO -0.04 0.48 -0.30 0.00 -0.34 0.00 0.00 178.44 178.23 3i8x h ALA 162 N 1.63 0.60 -0.90 1.25 0.00 -0.37 -1.86 119.26 119.61 3i8x h ALA 162 Ca 0.20 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i8x h ALA 162 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3i8x h ALA 162 CO -0.04 0.65 0.59 0.82 0.00 0.00 0.00 179.25 181.26 3i8x h ILE 163 N 0.77 1.24 0.00 0.00 2.04 -1.02 0.17 117.51 120.70 3i8x h ILE 163 Ca 0.08 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3i8x h ILE 163 Cb 0.89 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3i8x h ILE 163 CO 0.08 0.23 -0.44 0.44 0.00 0.00 0.00 178.15 178.46 3i8x h ASP 164 N 1.23 0.00 0.23 1.72 3.45 -1.17 -2.85 116.42 119.03 3i8x h ASP 164 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 3i8x h ASP 164 Cb -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 3i8x h ASP 164 CO -0.07 0.44 -0.50 0.54 -1.57 0.00 0.00 179.24 178.09 3i8x n ARG 165 N -3.66 0.50 -1.81 3.56 1.74 -0.72 -4.98 116.66 111.28 3i8x n ARG 165 Ca -0.01 -0.34 -0.41 0.00 -0.77 0.00 0.00 57.85 56.31 3i8x n ARG 165 Cb 0.53 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 3i8x n ARG 165 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3i8x s TYR 166 N -2.74 2.78 0.00 -1.55 5.04 0.00 -4.93 117.35 115.96 3i8x s TYR 166 Ca 0.16 0.84 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 3i8x s TYR 166 Cb 0.18 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.46 3i8x s TYR 166 CO 0.64 -3.42 0.00 1.63 -1.34 0.00 0.00 175.55 173.07 3i8x n LYS 167 N 2.08 0.00 -3.53 4.97 4.76 -1.26 -5.05 118.16 120.13 3i8x n LYS 167 Ca 0.07 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.43 3i8x n LYS 167 Cb 0.38 -0.03 -0.03 0.00 -1.84 0.00 0.00 35.03 33.51 3i8x n LYS 167 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i8x s ALA 168 N -2.26 -1.88 0.50 7.82 0.00 -1.26 -5.10 121.76 119.57 3i8x s ALA 168 Ca 0.00 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 3i8x s ALA 168 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.14 3i8x s ALA 168 CO 0.00 -0.58 1.30 -0.80 0.00 0.00 0.00 175.76 175.68 3i8x s ASN 169 N -2.10 5.67 0.10 0.00 0.01 -1.26 -4.97 114.94 112.40 3i8x s ASN 169 Ca 0.04 2.64 -0.31 0.00 -0.71 0.00 0.00 52.86 54.52 3i8x s ASN 169 Cb -0.01 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.95 3i8x s ASN 169 CO -0.06 -1.28 1.33 -1.61 -1.51 0.00 0.00 177.10 173.97 3i8x s GLU 170 N -2.74 4.35 -1.32 -0.60 0.41 0.23 -4.92 118.70 114.10 3i8x s GLU 170 Ca 0.67 1.99 -0.17 0.00 -0.41 0.00 0.00 54.97 57.05 3i8x s GLU 170 Cb -0.37 -3.27 0.05 0.00 -1.78 0.00 0.00 34.13 28.76 3i8x s GLU 170 CO 0.45 -0.38 1.86 -1.71 -0.49 0.00 0.00 175.26 174.99 3i8x n ASN 171 N 3.87 4.58 -4.78 -0.19 5.15 -1.26 -4.65 115.26 117.98 3i8x n ASN 171 Ca 0.10 -2.89 -0.29 0.00 -0.60 0.00 0.00 54.58 50.90 3i8x n ASN 171 Cb 0.43 -1.72 -0.06 0.00 -0.53 0.00 0.00 39.78 37.90 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 4.38 4.49 -0.04 3.44 -7.23 -1.26 -5.09 120.40 119.09 3i8x s VAL 172 Ca 0.53 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 3i8x s VAL 172 Cb 0.06 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 3i8x s VAL 172 CO 0.05 0.06 1.12 -0.70 -0.31 0.00 0.00 175.10 175.32 3i8x s GLU 173 N -2.57 4.42 -0.03 4.82 2.12 -1.26 -4.94 118.70 121.26 3i8x s GLU 173 Ca 0.29 1.58 -0.03 0.00 0.36 0.00 0.00 54.97 57.18 3i8x s GLU 173 Cb -0.12 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 3i8x s GLU 173 CO 0.22 -0.31 -0.05 1.28 -0.54 0.00 0.00 175.26 175.86 3i8x n LEU 174 N 4.69 0.34 -4.85 2.70 4.77 -1.26 -4.98 117.00 118.40 3i8x n LEU 174 Ca 0.09 0.16 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 3i8x n LEU 174 Cb 0.48 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 3i8x n LEU 174 CO 0.54 -0.47 -0.17 -0.69 -1.33 0.00 0.00 177.39 175.27 3i8x s VAL 175 N -1.29 5.49 -0.77 4.08 1.01 -1.26 -4.86 120.40 122.78 3i8x s VAL 175 Ca -0.04 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 3i8x s VAL 175 Cb 0.01 -3.42 0.20 0.00 0.00 0.00 0.00 36.38 33.17 3i8x s VAL 175 CO 0.06 0.59 0.73 -2.28 0.00 0.00 0.00 175.10 174.20 3i8x s HIS 176 N -0.79 3.63 0.34 5.22 2.46 -1.26 -5.05 115.29 119.85 3i8x s HIS 176 Ca 0.14 -1.82 -0.17 0.00 0.47 0.00 0.00 55.06 53.68 3i8x s HIS 176 Cb -0.12 -3.84 -0.09 0.00 -0.13 0.00 0.00 32.58 28.40 3i8x s HIS 176 CO 0.03 -1.02 0.78 0.71 -2.47 0.00 0.00 174.74 172.78 3i8x s TYR 177 N 0.56 3.38 0.34 3.88 1.51 -1.26 -4.90 117.35 120.87 3i8x s TYR 177 Ca 0.16 1.32 -0.28 0.00 -1.01 0.00 0.00 57.07 57.25 3i8x s TYR 177 Cb -0.14 -2.61 -0.12 0.00 -0.11 0.00 0.00 41.96 38.98 3i8x s TYR 177 CO -0.06 0.06 1.39 0.00 -1.11 0.00 0.00 175.55 175.83 3i8x n ALA 178 N -0.36 1.76 -0.30 3.71 0.00 -1.26 -4.89 120.51 119.17 3i8x n ALA 178 Ca 0.04 0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.85 3i8x n ALA 178 Cb 0.53 -2.33 0.14 0.00 0.00 0.00 0.00 19.45 17.80 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 2.97 0.88 -0.96 0.00 5.75 -2.00 -2.01 115.11 119.74 3i8x h GLN 179 Ca -0.48 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.07 3i8x h GLN 179 Cb 1.26 -0.20 -0.08 0.00 1.07 0.00 0.00 27.48 29.54 3i8x h GLN 179 CO 0.65 0.58 0.60 -1.35 -2.65 0.00 0.00 178.83 176.66 3i8x h PRO 180 N 0.90 0.96 -0.52 -2.39 0.11 -1.99 -0.70 132.00 128.37 3i8x h PRO 180 Ca 0.37 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.48 3i8x h PRO 180 Cb 0.21 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 3i8x h PRO 180 CO -0.19 0.64 0.24 -0.07 -0.21 0.00 0.00 178.00 178.41 3i8x h LEU 181 N 0.99 0.32 -0.10 2.35 3.38 -1.74 -1.68 115.31 118.83 3i8x h LEU 181 Ca 0.45 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 3i8x h LEU 181 Cb 0.37 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i8x h LEU 181 CO -0.24 0.22 0.02 -0.07 0.09 0.00 0.00 178.44 178.46 3i8x h LEU 182 N 0.47 0.16 -0.39 1.67 3.38 -1.23 -1.42 115.31 117.93 3i8x h LEU 182 Ca 0.24 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3i8x h LEU 182 Cb 0.19 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3i8x h LEU 182 CO -0.19 0.37 -0.10 0.78 0.09 0.00 0.00 178.44 179.39 3i8x h ASN 183 N -0.06 -0.36 -0.06 -0.43 2.35 -1.03 -1.58 115.58 114.41 3i8x h ASN 183 Ca 0.03 0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3i8x h ASN 183 Cb 0.27 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3i8x h ASN 183 CO 0.00 -0.13 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.02 3i8x h GLU 184 N 0.00 0.53 -0.27 0.81 4.39 -1.28 -1.37 114.58 117.39 3i8x h GLU 184 Ca 0.19 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3i8x h GLU 184 Cb 0.29 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3i8x h GLU 184 CO -0.41 0.77 -0.21 0.00 -1.16 0.00 0.00 179.01 178.01 3i8x h ALA 185 N 1.22 1.14 -0.06 3.43 0.00 -0.72 -2.25 119.26 122.02 3i8x h ALA 185 Ca 0.06 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3i8x h ALA 185 Cb 0.76 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i8x h ALA 185 CO 0.06 0.54 -0.56 0.22 0.00 0.00 0.00 179.25 179.51 3i8x h ASP 186 N 0.44 0.59 -0.40 0.00 3.58 -1.18 -0.13 116.42 119.33 3i8x h ASP 186 Ca 0.07 -0.69 0.01 0.00 0.42 0.00 0.00 57.03 56.84 3i8x h ASP 186 Cb 0.61 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3i8x h ASP 186 CO 0.04 1.20 0.27 0.28 -2.88 0.00 0.00 179.24 178.15 3i8x h SER 187 N 0.04 0.43 -0.31 2.28 0.02 -1.21 0.25 113.55 115.06 3i8x h SER 187 Ca -0.05 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 3i8x h SER 187 Cb 1.23 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3i8x h SER 187 CO 0.11 0.31 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.69 3i8x h LEU 188 N 0.51 0.90 -0.60 5.07 3.38 -1.40 -3.26 115.31 119.91 3i8x h LEU 188 Ca 0.15 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3i8x h LEU 188 Cb -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3i8x h LEU 188 CO -0.03 1.16 0.36 0.00 0.09 0.00 0.00 178.44 180.02 3i8x h ALA 189 N 0.89 0.78 -0.47 1.53 0.00 1.00 -2.99 119.26 119.99 3i8x h ALA 189 Ca 0.07 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3i8x h ALA 189 Cb 0.92 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3i8x h ALA 189 CO 0.09 0.09 0.57 0.87 0.00 0.00 0.00 179.25 180.87 3i8x h LYS 190 N 0.71 0.00 -0.13 0.00 1.57 -0.66 -1.69 116.57 116.37 3i8x h LYS 190 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3i8x h LYS 190 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i8x h LYS 190 CO -0.11 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.10 3i8x n VAL 191 N -3.53 1.29 -1.82 0.50 0.24 -1.13 -5.02 118.33 108.85 3i8x n VAL 191 Ca 0.09 -1.31 -0.31 0.00 -2.04 0.00 0.00 64.34 60.77 3i8x n VAL 191 Cb 0.76 0.29 0.02 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.51 3.45 -0.37 7.34 -1.94 -0.64 -4.26 119.30 121.36 3i8x s MET 192 Ca 0.17 0.82 -0.43 0.00 -1.71 0.00 0.00 55.69 54.54 3i8x s MET 192 Cb 0.12 -2.06 -0.17 0.00 2.01 0.00 0.00 34.83 34.73 3i8x s MET 192 CO 0.06 -0.69 1.69 -2.30 -0.01 0.00 0.00 175.02 173.77 3i8x n PRO 193 N -2.78 0.69 0.27 2.03 -0.02 -1.26 -4.83 135.00 129.10 3i8x n PRO 193 Ca 0.06 0.25 0.18 0.00 -2.02 0.00 0.00 63.50 61.98 3i8x n PRO 193 Cb 0.54 -1.86 0.86 0.00 -0.02 0.00 0.00 33.50 33.02 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 6.36 0.00 0.11 2.55 4.64 -1.96 -2.62 113.55 122.63 3i8x h SER 194 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3i8x h SER 194 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3i8x h SER 194 CO 0.97 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.03 3i8x n ASP 195 N -2.90 0.00 -4.74 4.97 5.75 -1.26 -4.63 116.55 113.74 3i8x n ASP 195 Ca -0.01 -0.47 -0.36 0.00 -0.01 0.00 0.00 54.79 53.94 3i8x n ASP 195 Cb 0.18 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 3i8x n ASP 195 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i8x s ILE 196 N -2.17 5.31 0.66 2.12 1.01 -0.99 -5.11 121.20 122.04 3i8x s ILE 196 Ca 0.28 0.51 -0.15 0.00 0.00 0.00 0.00 60.65 61.29 3i8x s ILE 196 Cb 0.14 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3i8x s ILE 196 CO 0.27 0.41 1.13 -2.16 0.00 0.00 0.00 174.94 174.59 3i8x s PRO 197 N 0.30 2.72 0.18 2.79 0.04 -1.26 -4.78 135.00 134.99 3i8x s PRO 197 Ca 0.16 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 3i8x s PRO 197 Cb -0.13 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.61 3i8x s PRO 197 CO 0.04 -1.33 1.64 1.25 0.04 0.00 0.00 177.00 178.64 3i8x h LEU 198 N 0.09 -0.54 -0.79 -3.56 5.85 -1.99 -1.22 115.31 113.15 3i8x h LEU 198 Ca -0.47 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.53 3i8x h LEU 198 Cb 1.26 0.33 -0.09 0.00 0.37 0.00 0.00 40.66 42.53 3i8x h LEU 198 CO 0.53 -0.19 0.37 0.50 -0.34 0.00 0.00 178.44 179.32 3i8x h LYS 199 N -0.04 0.54 -0.02 1.25 3.64 -1.92 0.38 116.57 120.40 3i8x h LYS 199 Ca 0.22 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.38 3i8x h LYS 199 Cb 0.39 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3i8x h LYS 199 CO -0.50 0.36 -0.80 1.96 -2.27 0.00 0.00 179.45 178.20 3i8x h GLN 200 N 0.56 0.24 -0.46 1.90 4.20 -1.56 -2.51 115.11 117.47 3i8x h GLN 200 Ca 0.42 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 3i8x h GLN 200 Cb 0.59 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3i8x h GLN 200 CO -0.36 0.92 -0.14 0.00 -0.67 0.00 0.00 178.83 178.58 3i8x h ARG 201 N 0.15 0.91 -0.64 1.46 3.08 -0.40 0.63 114.38 119.57 3i8x h ARG 201 Ca -0.04 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.67 3i8x h ARG 201 Cb 1.40 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 3i8x h ARG 201 CO 0.13 1.01 0.42 0.00 -1.07 0.00 0.00 179.97 180.46 3i8x h ARG 202 N 0.75 0.79 -0.11 0.04 3.08 -0.95 0.14 114.38 118.12 3i8x h ARG 202 Ca 0.11 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3i8x h ARG 202 Cb 0.69 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3i8x h ARG 202 CO 0.05 0.52 -0.24 2.35 -1.07 0.00 0.00 179.97 181.59 3i8x h TRP 203 N 0.81 0.45 -0.82 3.04 7.01 -1.16 -2.14 115.95 123.16 3i8x h TRP 203 Ca 0.24 -0.17 0.06 0.00 2.11 0.00 0.00 58.89 61.14 3i8x h TRP 203 Cb -0.02 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 26.90 3i8x h TRP 203 CO -0.00 0.85 0.50 -0.07 -2.79 0.00 0.00 178.44 176.93 3i8x h LEU 204 N -0.07 0.78 -0.01 0.65 3.38 -0.69 0.53 115.31 119.88 3i8x h LEU 204 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3i8x h LEU 204 Cb 0.83 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3i8x h LEU 204 CO 0.05 0.50 -0.25 1.23 0.09 0.00 0.00 178.44 180.06 3i8x h GLY 205 N 0.91 -0.37 0.37 0.83 0.00 -0.62 -0.86 103.07 103.32 3i8x h GLY 205 Ca 0.36 0.30 0.14 0.00 0.00 0.00 0.00 47.33 48.12 3i8x h GLY 205 CO -0.17 -0.21 0.59 1.41 0.00 0.00 0.00 176.54 178.16 3i8x h LEU 206 N -0.38 0.83 -0.61 3.11 3.38 -1.00 -1.23 115.31 119.40 3i8x h LEU 206 Ca 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i8x h LEU 206 Cb 0.47 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3i8x h LEU 206 CO -0.23 0.40 0.34 1.56 0.09 0.00 0.00 178.44 180.60 3i8x h GLN 207 N 0.88 0.84 -0.06 1.13 1.08 -0.40 -1.78 115.11 116.79 3i8x h GLN 207 Ca 0.50 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.61 3i8x h GLN 207 Cb 0.59 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3i8x h GLN 207 CO -0.30 0.63 0.03 0.52 -0.95 0.00 0.00 178.83 178.76 3i8x h MET 208 N 0.82 0.09 -0.56 1.46 2.86 -0.56 -0.03 114.93 119.01 3i8x h MET 208 Ca 0.21 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 3i8x h MET 208 Cb 0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3i8x h MET 208 CO -0.04 0.15 0.37 -0.07 1.06 0.00 0.00 176.91 178.39 3i8x h LEU 209 N 0.00 0.50 -0.01 1.22 3.38 -1.07 -1.71 115.31 117.63 3i8x h LEU 209 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i8x h LEU 209 Cb 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i8x h LEU 209 CO -0.00 0.34 -0.07 1.21 0.09 0.00 0.00 178.44 180.01 3i8x n GLU 210 N -4.47 0.05 0.00 1.13 2.13 -0.69 -4.24 120.64 114.55 3i8x n GLU 210 Ca 0.07 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3i8x n GLU 210 Cb 0.20 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 1.48 1.24 3.59 8.31 0.00 -0.64 -4.91 105.19 114.26 3i8x n GLY 211 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 6.10 0.04 1.61 3.68 -0.08 -4.78 116.67 121.25 3i8x s ASP 212 Ca 0.00 0.76 -0.14 0.00 2.13 0.00 0.00 52.55 55.29 3i8x s ASP 212 Cb 0.00 -2.54 -0.34 0.00 -1.45 0.00 0.00 42.92 38.60 3i8x s ASP 212 CO 0.00 -1.64 1.04 0.40 0.13 0.00 0.00 175.17 175.10 3i8x h ILE 213 N 6.56 1.31 0.00 4.11 5.03 -1.83 -3.32 117.51 129.37 3i8x h ILE 213 Ca -0.28 -2.70 -0.02 0.00 -0.12 0.00 0.00 64.86 61.73 3i8x h ILE 213 Cb 1.12 2.97 -0.00 0.00 -3.03 0.00 0.00 36.82 37.88 3i8x h ILE 213 CO 1.11 0.81 -0.12 1.88 -0.68 0.00 0.00 178.15 181.15 3i8x h TYR 214 N 0.16 0.00 0.00 1.37 -1.99 -1.89 -1.73 116.97 112.89 3i8x h TYR 214 Ca -0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.50 3i8x h TYR 214 Cb 2.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.84 3i8x h TYR 214 CO 0.12 0.12 0.00 0.43 -0.00 0.00 0.00 178.16 178.83 3i8x n SER 215 N -3.70 0.00 0.11 3.88 7.64 -1.25 -3.02 113.62 117.28 3i8x n SER 215 Ca -0.02 0.43 -0.04 0.00 1.01 0.00 0.00 58.87 60.25 3i8x n SER 215 Cb 0.23 -0.47 0.10 0.00 -1.01 0.00 0.00 64.21 63.06 3i8x n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3i8x h ARG 216 N 0.00 0.08 -0.87 1.43 3.08 -1.46 -3.08 114.38 113.55 3i8x h ARG 216 Ca 0.00 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3i8x h ARG 216 Cb 0.34 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3i8x h ARG 216 CO 0.00 0.74 0.57 0.00 -1.07 0.00 0.00 179.97 180.22 3i8x h ALA 217 N 1.24 1.45 0.00 0.04 0.00 -1.69 -1.58 119.26 118.72 3i8x h ALA 217 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i8x h ALA 217 Cb 1.23 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3i8x h ALA 217 CO 0.10 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.47 3i8x n TYR 218 N -4.44 0.72 1.04 0.00 4.02 -1.19 -4.19 117.16 113.12 3i8x n TYR 218 Ca 0.11 0.22 0.11 0.00 -0.01 0.00 0.00 57.90 58.34 3i8x n TYR 218 Cb 0.11 -0.86 0.08 0.00 -0.02 0.00 0.00 39.34 38.64 3i8x n TYR 218 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i8x n ALA 219 N -1.72 3.90 -0.81 -0.72 0.00 -0.60 -4.69 120.51 115.86 3i8x n ALA 219 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3i8x n ALA 219 Cb 0.37 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.45 1.43 0.16 0.00 0.00 -1.19 -2.61 105.19 104.43 3i8x n GLY 220 Ca 0.07 0.44 0.12 0.00 0.00 0.00 0.00 46.02 46.66 3i8x n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i8x h GLU 221 N 0.00 0.00 0.00 1.61 5.08 -1.91 -3.27 114.58 116.08 3i8x h GLU 221 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3i8x h GLU 221 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i8x h GLU 221 CO 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 177.98 3i8x h ALA 222 N 2.17 1.16 -0.70 3.43 0.00 -1.68 -2.87 119.26 120.77 3i8x h ALA 222 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3i8x h ALA 222 Cb 0.92 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3i8x h ALA 222 CO 0.00 0.04 0.26 0.77 0.00 0.00 0.00 179.25 180.32 3i8x h SER 223 N 0.00 0.96 0.55 0.00 0.02 -1.79 -1.63 113.55 111.66 3i8x h SER 223 Ca -0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3i8x h SER 223 Cb 0.18 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3i8x h SER 223 CO 0.00 0.87 0.00 0.00 -1.14 0.00 0.00 176.83 176.57 3i8x n GLN 224 N -4.28 0.12 -0.14 3.45 10.64 -1.08 -2.66 117.38 123.42 3i8x n GLN 224 Ca 0.06 0.40 0.10 0.00 -1.83 0.00 0.00 57.00 55.73 3i8x n GLN 224 Cb 0.19 -1.75 0.17 0.00 -0.86 0.00 0.00 30.24 27.99 3i8x n GLN 224 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3i8x n HIS 225 N -1.98 0.36 -0.05 2.61 8.25 -0.63 -4.59 115.22 119.20 3i8x n HIS 225 Ca 0.02 -0.22 -0.14 0.00 -0.26 0.00 0.00 57.72 57.11 3i8x n HIS 225 Cb 0.18 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 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 3.72 0.45 -0.62 2.41 5.85 -1.35 -3.14 115.31 122.64 3i8x h LEU 226 Ca 0.00 -0.57 -0.05 0.00 0.84 0.00 0.00 57.88 58.10 3i8x h LEU 226 Cb 0.86 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3i8x h LEU 226 CO 0.00 0.94 0.17 0.44 -0.34 0.00 0.00 178.44 179.65 3i8x h ASP 227 N -0.01 0.92 -0.98 1.25 3.32 -1.81 0.20 116.42 119.30 3i8x h ASP 227 Ca 0.00 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.84 3i8x h ASP 227 Cb 0.87 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 3i8x h ASP 227 CO 0.06 0.90 0.65 0.00 -1.72 0.00 0.00 179.24 179.13 3i8x h ALA 228 N 1.05 1.26 -0.49 3.45 0.00 -1.88 0.73 119.26 123.38 3i8x h ALA 228 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3i8x h ALA 228 Cb 0.32 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3i8x h ALA 228 CO -0.00 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.80 3i8x h ALA 229 N 1.37 0.95 -0.28 0.00 0.00 -1.35 -2.62 119.26 117.33 3i8x h ALA 229 Ca 0.37 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3i8x h ALA 229 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i8x h ALA 229 CO -0.09 0.62 -0.47 -0.07 0.00 0.00 0.00 179.25 179.25 3i8x h LEU 230 N 0.80 0.79 -0.40 0.00 3.38 -0.61 -2.53 115.31 116.74 3i8x h LEU 230 Ca 0.14 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3i8x h LEU 230 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3i8x h LEU 230 CO 0.03 1.13 0.23 0.00 0.09 0.00 0.00 178.44 179.92 3i8x h ALA 231 N 0.89 0.52 -0.01 1.53 0.00 -0.79 -1.80 119.26 119.60 3i8x h ALA 231 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i8x h ALA 231 Cb 1.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3i8x h ALA 231 CO 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.26 3i8x h ARG 232 N 0.52 -0.20 -0.49 0.00 3.08 -1.44 -2.61 114.38 113.24 3i8x h ARG 232 Ca 0.14 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3i8x h ARG 232 Cb 0.04 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3i8x h ARG 232 CO -0.02 -0.13 0.33 -0.07 -1.07 0.00 0.00 179.97 179.00 3i8x h LEU 233 N -0.21 0.56 -0.96 3.04 3.38 -1.26 -0.79 115.31 119.07 3i8x h LEU 233 Ca 0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3i8x h LEU 233 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3i8x h LEU 233 CO -0.14 0.40 -0.20 0.03 0.09 0.00 0.00 178.44 178.63 3i8x h ARG 234 N 0.66 0.00 0.00 1.13 3.08 -1.10 0.18 114.38 118.33 3i8x h ARG 234 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3i8x h ARG 234 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3i8x h ARG 234 CO -0.04 0.20 -0.18 0.09 -1.07 0.00 0.00 179.97 178.97 3i8x n ASN 235 N -3.31 0.55 -0.08 7.04 3.02 -0.35 -4.20 115.26 117.93 3i8x n ASN 235 Ca 0.01 0.37 -0.05 0.00 -0.03 0.00 0.00 54.58 54.88 3i8x n ASN 235 Cb 0.45 -0.41 -0.16 0.00 -0.61 0.00 0.00 39.78 39.05 3i8x n ASN 235 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i8x n GLU 236 N -1.95 0.71 -3.67 3.52 1.02 -0.73 -5.03 120.64 114.51 3i8x n GLU 236 Ca 0.05 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3i8x n GLU 236 Cb 0.40 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 3i8x n GLU 236 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i8x s MET 237 N -2.70 1.27 -0.10 3.49 0.23 0.56 -5.09 119.30 116.96 3i8x s MET 237 Ca -0.09 -0.77 -0.23 0.00 -1.03 0.00 0.00 55.69 53.57 3i8x s MET 237 Cb 0.08 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.86 3i8x s MET 237 CO 0.84 -0.53 0.69 0.16 -2.03 0.00 0.00 175.02 174.15 3i8x s ASP 238 N -2.84 6.92 -0.77 -1.18 1.47 -1.26 -4.06 116.67 114.96 3i8x s ASP 238 Ca 0.06 1.12 -0.00 0.00 1.18 0.00 0.00 52.55 54.91 3i8x s ASP 238 Cb -0.00 -2.40 -0.00 0.00 -0.34 0.00 0.00 42.92 40.18 3i8x s ASP 238 CO -0.07 -0.16 0.68 -0.67 0.68 0.00 0.00 175.17 175.63 3i8x n ASP 239 N 4.11 -7.15 -0.33 2.11 -0.08 -1.26 -4.75 116.55 109.20 3i8x n ASP 239 Ca -0.01 -0.28 0.18 0.00 -1.51 0.00 0.00 54.79 53.17 3i8x n ASP 239 Cb 0.51 -4.53 0.38 0.00 2.34 0.00 0.00 41.12 39.82 3i8x n ASP 239 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i8x h PRO 240 N 0.26 0.48 -0.81 -0.67 0.13 -1.86 -2.12 132.00 127.42 3i8x h PRO 240 Ca -0.15 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3i8x h PRO 240 Cb 1.09 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 3i8x h PRO 240 CO 0.32 0.32 0.50 0.00 -0.23 0.00 0.00 178.00 178.91 3i8x h ALA 241 N 1.75 1.04 -0.11 -0.56 0.00 -1.91 -2.42 119.26 117.04 3i8x h ALA 241 Ca 0.64 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.35 3i8x h ALA 241 Cb 1.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3i8x h ALA 241 CO -0.51 0.49 -0.47 1.25 0.00 0.00 0.00 179.25 180.01 3i8x h LEU 242 N 1.11 0.29 -0.88 0.00 5.85 -1.75 -2.17 115.31 117.77 3i8x h LEU 242 Ca 0.29 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3i8x h LEU 242 Cb -0.06 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3i8x h LEU 242 CO -0.06 0.72 0.55 0.45 -0.34 0.00 0.00 178.44 179.76 3i8x h HIS 243 N 0.22 1.14 -0.37 1.25 3.86 -1.10 0.07 115.15 120.22 3i8x h HIS 243 Ca 0.01 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3i8x h HIS 243 Cb 0.91 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 3i8x h HIS 243 CO 0.02 0.75 0.13 0.82 0.86 0.00 0.00 177.93 180.51 3i8x h ILE 244 N 1.20 1.20 -0.43 2.45 2.04 -1.12 -0.42 117.51 122.43 3i8x h ILE 244 Ca 0.32 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3i8x h ILE 244 Cb -0.08 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3i8x h ILE 244 CO -0.06 0.23 -0.05 0.00 0.00 0.00 0.00 178.15 178.26 3i8x h ALA 245 N 0.98 0.59 -0.51 1.87 0.00 -1.21 -2.67 119.26 118.31 3i8x h ALA 245 Ca 0.12 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3i8x h ALA 245 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i8x h ALA 245 CO -0.01 0.42 -0.11 -0.44 0.00 0.00 0.00 179.25 179.11 3i8x h ASP 246 N 0.63 0.94 -0.81 0.00 5.19 -0.93 -0.72 116.42 120.72 3i8x h ASP 246 Ca 0.12 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.18 3i8x h ASP 246 Cb 0.56 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 3i8x h ASP 246 CO 0.03 1.06 0.36 0.00 -3.12 0.00 0.00 179.24 177.58 3i8x h ALA 247 N 1.02 1.11 0.11 3.45 0.00 -0.99 0.23 119.26 124.19 3i8x h ALA 247 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i8x h ALA 247 Cb 0.65 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i8x h ALA 247 CO 0.05 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.90 3i8x h ARG 248 N 1.17 -0.14 -0.60 0.00 3.08 -1.37 -1.54 114.38 114.98 3i8x h ARG 248 Ca 0.28 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.46 3i8x h ARG 248 Cb 0.16 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.14 3i8x h ARG 248 CO -0.03 0.21 0.02 -0.92 -1.07 0.00 0.00 179.97 178.18 3i8x h TYR 249 N -0.51 0.00 -0.32 3.04 3.20 -1.04 -1.65 116.97 119.69 3i8x h TYR 249 Ca -0.02 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3i8x h TYR 249 Cb 0.42 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 3i8x h TYR 249 CO 0.04 -0.14 0.08 0.37 -1.64 0.00 0.00 178.16 176.88 3i8x h GLN 250 N 0.14 0.20 -0.27 1.82 4.15 -0.48 -0.34 115.11 120.33 3i8x h GLN 250 Ca 0.31 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.74 3i8x h GLN 250 Cb 0.50 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3i8x h GLN 250 CO -0.49 0.13 0.13 0.00 -1.93 0.00 0.00 178.83 176.67 3i8x h ILE 252 N 0.28 1.27 -0.73 0.00 2.04 -1.10 -1.31 117.51 117.96 3i8x h ILE 252 Ca 0.11 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.43 3i8x h ILE 252 Cb 0.04 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3i8x h ILE 252 CO -0.08 0.50 0.23 0.00 0.00 0.00 0.00 178.15 178.80 3i8x h ALA 253 N 0.81 1.03 -0.65 1.87 0.00 -0.92 -1.80 119.26 119.60 3i8x h ALA 253 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3i8x h ALA 253 Cb 0.90 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3i8x h ALA 253 CO 0.08 0.65 0.28 0.00 0.00 0.00 0.00 179.25 180.27 3i8x h ALA 254 N 1.17 1.27 0.00 0.00 0.00 -0.76 0.46 119.26 121.40 3i8x h ALA 254 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i8x h ALA 254 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i8x h ALA 254 CO -0.01 0.55 -0.00 0.82 0.00 0.00 0.00 179.25 180.61 3i8x h ILE 255 N 0.93 1.21 -0.80 0.00 2.04 -0.99 -2.56 117.51 117.33 3i8x h ILE 255 Ca 0.22 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3i8x h ILE 255 Cb 0.14 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3i8x h ILE 255 CO -0.02 0.16 0.36 0.00 0.00 0.00 0.00 178.15 178.65 3i8x h ASP 257 N 1.15 0.01 0.21 0.00 -0.00 -0.94 -1.43 116.42 115.42 3i8x h ASP 257 Ca 0.27 0.08 -0.29 0.00 -0.00 0.00 0.00 57.03 57.08 3i8x h ASP 257 Cb 0.15 0.10 0.03 0.00 -0.00 0.00 0.00 39.33 39.60 3i8x h ASP 257 CO -0.03 0.04 -1.24 0.58 -0.00 0.00 0.00 179.24 178.59 3i8x h VAL 258 N 0.23 1.31 0.00 2.25 2.07 -1.01 -3.37 116.25 117.73 3i8x h VAL 258 Ca 0.22 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3i8x h VAL 258 Cb 0.27 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3i8x h VAL 258 CO -0.28 0.77 -1.39 1.33 0.02 0.00 0.00 177.57 178.02 3i8x n VAL 259 N -3.75 0.06 -5.04 2.57 0.24 0.33 -4.95 118.33 107.78 3i8x n VAL 259 Ca -0.13 -0.27 -0.32 0.00 -2.04 0.00 0.00 64.34 61.59 3i8x n VAL 259 Cb 0.99 0.39 -0.14 0.00 -1.47 0.00 0.00 33.84 33.60 3i8x n VAL 259 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i8x s SER 260 N -3.87 3.65 0.00 -1.34 0.15 -0.54 -0.98 113.70 110.77 3i8x s SER 260 Ca 0.01 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 3i8x s SER 260 Cb 0.15 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 3i8x s SER 260 CO 0.87 0.33 0.00 -3.20 1.20 0.00 0.00 173.24 172.44