#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6x h ILE 3 N 0.00 0.00 -3.64 -0.18 3.07 -2.13 -3.42 117.51 111.22 2r6x h ILE 3 Ca 0.00 -0.65 -0.65 0.00 1.55 0.00 0.00 64.86 65.11 2r6x h ILE 3 Cb 0.00 1.63 -0.16 0.00 -0.27 0.00 0.00 36.82 38.03 2r6x h ILE 3 CO 0.00 0.00 -0.15 -0.72 -1.05 0.00 0.00 178.15 176.23 2r6x s TYR 4 N -3.17 3.20 -0.01 0.16 -0.85 -1.26 -4.94 117.35 110.49 2r6x s TYR 4 Ca 0.09 0.14 0.10 0.00 -0.52 0.00 0.00 57.07 56.87 2r6x s TYR 4 Cb 0.10 -2.79 -0.23 0.00 0.38 0.00 0.00 41.96 39.42 2r6x s TYR 4 CO 0.61 -0.46 0.81 1.79 -1.52 0.00 0.00 175.55 176.77 2r6x h THR 5 N 5.56 1.05 0.00 -3.49 1.35 -2.06 -3.48 112.91 111.85 2r6x h THR 5 Ca -0.29 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 2r6x h THR 5 Cb 1.14 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 2r6x h THR 5 CO 0.73 0.63 0.00 0.29 -0.25 0.00 0.00 175.52 176.92 2r6x n LYS 6 N -3.15 0.00 0.25 4.72 5.02 -1.26 -4.89 118.16 118.84 2r6x n LYS 6 Ca -0.13 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.32 2r6x n LYS 6 Cb 1.03 -2.27 0.88 0.00 -0.02 0.00 0.00 35.03 34.64 2r6x n LYS 6 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2r6x h ASN 7 N 0.00 0.00 0.11 4.39 2.35 -1.93 -2.36 115.58 118.14 2r6x h ASN 7 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2r6x h ASN 7 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2r6x h ASN 7 CO 0.00 0.00 -0.78 0.61 -1.65 0.00 0.00 177.43 175.61 2r6x n GLY 8 N -1.07 -0.88 0.33 2.83 0.00 -1.25 -4.55 105.19 100.60 2r6x n GLY 8 Ca -0.02 -0.55 0.20 0.00 0.00 0.00 0.00 46.02 45.65 2r6x n GLY 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2r6x h ASP 9 N 0.42 0.00 -0.66 1.61 3.32 -1.70 0.55 116.42 119.96 2r6x h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2r6x h ASP 9 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2r6x h ASP 9 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 2r6x n LYS 10 N -3.25 2.94 -0.31 3.56 5.02 -1.26 -4.95 118.16 119.91 2r6x n LYS 10 Ca -0.02 -2.54 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 2r6x n LYS 10 Cb 0.16 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2r6x n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2r6x n GLY 11 N 1.41 0.82 3.56 0.72 0.00 0.18 -5.06 105.19 106.83 2r6x n GLY 11 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 2r6x n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r6x s GLN 12 N -0.69 2.02 0.25 1.61 -0.21 -1.25 -1.64 119.66 119.75 2r6x s GLN 12 Ca 0.00 -1.47 -0.16 0.00 0.02 0.00 0.00 55.36 53.75 2r6x s GLN 12 Cb 0.00 -2.04 0.01 0.00 1.00 0.00 0.00 33.01 31.97 2r6x s GLN 12 CO 0.00 0.38 0.56 -0.08 -2.12 0.00 0.00 175.29 174.03 2r6x s THR 13 N -2.13 0.00 0.22 -0.19 -1.32 0.04 -3.96 115.64 108.31 2r6x s THR 13 Ca 0.28 -1.20 0.05 0.00 -1.21 0.00 0.00 61.69 59.61 2r6x s THR 13 Cb -0.07 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 2r6x s THR 13 CO 0.17 -0.02 0.29 0.00 -2.21 0.00 0.00 174.62 172.85 2r6x s ARG 14 N -3.97 3.27 0.00 7.08 3.03 -1.26 -0.47 118.95 126.63 2r6x s ARG 14 Ca 0.17 -0.82 0.00 0.00 2.03 0.00 0.00 55.73 57.12 2r6x s ARG 14 Cb -0.02 -2.80 0.00 0.00 -1.03 0.00 0.00 34.95 31.09 2r6x s ARG 14 CO 0.07 0.44 0.00 0.44 -1.13 0.00 0.00 175.30 175.12 2r6x n ILE 15 N -1.14 0.00 -2.62 4.99 -5.35 -1.16 -4.90 119.36 109.19 2r6x n ILE 15 Ca -0.08 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.97 2r6x n ILE 15 Cb 0.57 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.44 2r6x n ILE 15 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2r6x s ILE 16 N 0.68 4.62 0.00 7.28 1.01 -0.87 -4.68 121.20 129.24 2r6x s ILE 16 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.58 2r6x s ILE 16 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2r6x s ILE 16 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.45 2r6x n GLY 17 N 3.29 0.04 0.08 6.18 0.00 -1.26 -4.50 105.19 109.03 2r6x n GLY 17 Ca 0.11 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 2r6x n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2r6x n LYS 18 N 0.48 1.26 -1.65 1.61 4.81 -1.26 -4.95 118.16 118.46 2r6x n LYS 18 Ca 0.00 0.01 -0.50 0.00 -0.87 0.00 0.00 58.31 56.94 2r6x n LYS 18 Cb 0.00 -1.42 -0.05 0.00 0.02 0.00 0.00 35.03 33.58 2r6x n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2r6x n GLN 19 N -2.66 1.60 -3.02 1.64 6.02 -1.26 -4.87 117.38 114.84 2r6x n GLN 19 Ca -0.28 0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 56.89 2r6x n GLN 19 Cb 1.01 -2.30 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 2r6x n GLN 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2r6x s ILE 20 N 1.60 4.95 0.12 5.09 -1.09 -1.26 -2.98 121.20 127.61 2r6x s ILE 20 Ca 0.86 1.36 0.10 0.00 -2.23 0.00 0.00 60.65 60.74 2r6x s ILE 20 Cb -0.85 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 2r6x s ILE 20 CO 0.48 0.04 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.23 2r6x s LEU 21 N 2.23 2.31 0.52 2.97 1.43 0.38 -4.94 118.68 123.59 2r6x s LEU 21 Ca 0.32 -0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 2r6x s LEU 21 Cb -0.16 -1.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 2r6x s LEU 21 CO 0.10 0.12 1.34 -0.31 0.23 0.00 0.00 176.35 177.83 2r6x s TYR 22 N -1.14 2.38 0.40 0.29 2.02 -1.26 -0.78 117.35 119.26 2r6x s TYR 22 Ca 0.10 1.38 0.29 0.00 -0.37 0.00 0.00 57.07 58.48 2r6x s TYR 22 Cb -0.10 -3.77 1.52 0.00 -0.40 0.00 0.00 41.96 39.22 2r6x s TYR 22 CO 0.05 -2.74 2.09 0.87 -1.57 0.00 0.00 175.55 174.25 2r6x h LYS 23 N 1.64 0.00 -0.01 -0.62 1.57 -1.65 -1.53 116.57 115.97 2r6x h LYS 23 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2r6x h LYS 23 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2r6x h LYS 23 CO 0.58 0.10 -0.08 0.27 -0.57 0.00 0.00 179.45 179.75 2r6x n ASN 24 N -3.54 0.64 -4.58 0.86 6.94 -1.26 -4.28 115.26 110.04 2r6x n ASN 24 Ca -0.02 -0.86 -0.50 0.00 -0.02 0.00 0.00 54.58 53.18 2r6x n ASN 24 Cb 0.23 -0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 2r6x n ASN 24 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2r6x n ASP 25 N -0.71 1.44 -0.32 0.53 -0.08 -0.58 -4.74 116.55 112.09 2r6x n ASP 25 Ca 0.17 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.77 2r6x n ASP 25 Cb 0.27 -1.20 0.39 0.00 2.34 0.00 0.00 41.12 42.92 2r6x n ASP 25 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2r6x h PRO 26 N 3.86 0.26 -0.61 -0.67 0.11 -1.91 0.16 132.00 133.20 2r6x h PRO 26 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2r6x h PRO 26 Cb 1.34 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2r6x h PRO 26 CO 0.73 0.17 0.00 -0.09 -0.21 0.00 0.00 178.00 178.61 2r6x h ARG 27 N 0.26 1.08 -0.48 1.05 2.43 -1.93 -1.45 114.38 115.34 2r6x h ARG 27 Ca 0.66 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2r6x h ARG 27 Cb 1.43 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 2r6x h ARG 27 CO -0.64 1.05 0.03 0.28 -1.51 0.00 0.00 179.97 179.18 2r6x h VAL 28 N 0.98 1.24 -0.37 0.20 2.07 -1.30 -2.15 116.25 116.92 2r6x h VAL 28 Ca 0.17 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 2r6x h VAL 28 Cb 0.56 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2r6x h VAL 28 CO 0.03 0.34 -0.14 0.00 0.02 0.00 0.00 177.57 177.82 2r6x h ALA 29 N 1.29 0.52 -0.20 1.67 0.00 -0.99 -0.19 119.26 121.36 2r6x h ALA 29 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2r6x h ALA 29 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2r6x h ALA 29 CO 0.01 0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.78 2r6x h ALA 30 N 0.81 0.26 -0.63 0.00 0.00 -1.18 0.40 119.26 118.93 2r6x h ALA 30 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2r6x h ALA 30 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2r6x h ALA 30 CO 0.05 -0.16 0.41 -0.92 0.00 0.00 0.00 179.25 178.63 2r6x h TYR 31 N 0.19 0.77 -0.59 0.00 3.20 -1.39 -1.94 116.97 117.20 2r6x h TYR 31 Ca 0.07 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.99 2r6x h TYR 31 Cb 0.15 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 2r6x h TYR 31 CO -0.02 0.47 0.35 0.78 -1.64 0.00 0.00 178.16 178.10 2r6x h GLY 32 N 0.82 0.85 1.40 1.82 0.00 -0.47 -1.53 103.07 105.96 2r6x h GLY 32 Ca 0.24 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 2r6x h GLY 32 CO -0.07 0.21 -0.46 0.83 0.00 0.00 0.00 176.54 177.05 2r6x h GLU 33 N 0.68 0.65 -0.47 4.80 4.39 0.01 -0.80 114.58 123.84 2r6x h GLU 33 Ca 0.25 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 2r6x h GLU 33 Cb 0.06 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2r6x h GLU 33 CO -0.12 0.97 0.06 0.28 -1.16 0.00 0.00 179.01 179.04 2r6x h VAL 34 N 0.52 1.22 -0.08 3.13 2.07 -1.30 -0.69 116.25 121.11 2r6x h VAL 34 Ca 0.03 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 2r6x h VAL 34 Cb 1.00 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2r6x h VAL 34 CO 0.09 0.31 -0.53 0.78 0.02 0.00 0.00 177.57 178.24 2r6x h ASN 35 N 0.71 0.26 -0.36 0.57 2.35 -0.81 -2.21 115.58 116.08 2r6x h ASN 35 Ca 0.15 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2r6x h ASN 35 Cb 0.34 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2r6x h ASN 35 CO 0.01 0.74 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.44 2r6x h GLU 36 N 0.18 0.63 -0.60 0.81 4.81 -0.90 -1.95 114.58 117.57 2r6x h GLU 36 Ca 0.00 -0.20 0.12 0.00 -0.13 0.00 0.00 59.36 59.15 2r6x h GLU 36 Cb 0.99 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.22 2r6x h GLU 36 CO 0.08 0.75 0.09 1.25 -0.73 0.00 0.00 179.01 180.45 2r6x h LEU 37 N 0.45 -0.08 0.12 1.64 5.85 -1.00 -1.25 115.31 121.05 2r6x h LEU 37 Ca 0.10 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2r6x h LEU 37 Cb 0.46 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2r6x h LEU 37 CO 0.02 -0.03 -0.11 -1.13 -0.34 0.00 0.00 178.44 176.85 2r6x h ASN 38 N 0.21 -0.28 -0.66 1.25 -0.00 -1.22 0.11 115.58 115.00 2r6x h ASN 38 Ca 0.32 0.03 0.12 0.00 -0.00 0.00 0.00 56.30 56.76 2r6x h ASN 38 Cb 0.49 0.10 -0.12 0.00 -0.00 0.00 0.00 38.32 38.78 2r6x h ASN 38 CO -0.44 -0.17 -0.30 0.28 -0.00 0.00 0.00 177.43 176.80 2r6x h SER 39 N -0.25 -1.07 -0.86 1.15 0.02 -1.08 -0.61 113.55 110.86 2r6x h SER 39 Ca 0.00 0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2r6x h SER 39 Cb 0.23 0.56 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 2r6x h SER 39 CO -0.02 -0.29 0.57 -0.25 -1.14 0.00 0.00 176.83 175.70 2r6x h TRP 40 N -0.11 1.08 -0.56 3.45 2.91 -0.77 0.69 115.95 122.63 2r6x h TRP 40 Ca 0.27 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.35 2r6x h TRP 40 Cb 0.55 -0.36 -0.04 0.00 -0.51 0.00 0.00 29.16 28.80 2r6x h TRP 40 CO -0.64 0.68 0.33 0.28 -1.03 0.00 0.00 178.44 178.05 2r6x h VAL 41 N 1.16 1.04 -0.62 2.65 2.07 -0.13 0.44 116.25 122.86 2r6x h VAL 41 Ca 0.31 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2r6x h VAL 41 Cb -0.13 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 2r6x h VAL 41 CO -0.07 0.12 0.36 1.23 0.02 0.00 0.00 177.57 179.23 2r6x h GLY 42 N 0.64 0.89 0.94 2.17 0.00 -0.63 0.36 103.07 107.44 2r6x h GLY 42 Ca 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2r6x h GLY 42 CO -0.11 0.20 0.00 -1.82 0.00 0.00 0.00 176.54 174.81 2r6x h TYR 43 N 0.70 0.00 -0.74 5.60 3.20 -0.05 -1.75 116.97 123.94 2r6x h TYR 43 Ca 0.26 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.22 2r6x h TYR 43 Cb 0.08 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.28 2r6x h TYR 43 CO -0.06 0.06 0.39 1.15 -1.64 0.00 0.00 178.16 178.06 2r6x h THR 44 N -0.05 0.87 -0.22 1.81 2.02 0.36 -1.48 112.91 116.22 2r6x h THR 44 Ca 0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2r6x h THR 44 Cb 0.06 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2r6x h THR 44 CO -0.00 0.12 0.05 0.50 0.37 0.00 0.00 175.52 176.56 2r6x h LYS 45 N 0.66 0.31 0.00 6.66 3.64 0.03 -1.80 116.57 126.07 2r6x h LYS 45 Ca 0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2r6x h LYS 45 Cb 0.36 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2r6x h LYS 45 CO -0.26 0.30 0.00 -1.13 -2.27 0.00 0.00 179.45 176.09 2r6x n SER 46 N -4.40 0.62 -0.25 4.20 3.41 -0.56 -2.83 113.62 113.80 2r6x n SER 46 Ca 0.00 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 2r6x n SER 46 Cb 0.15 -0.78 0.31 0.00 -0.26 0.00 0.00 64.21 63.63 2r6x n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2r6x n LEU 47 N -2.17 1.10 -4.77 1.04 4.77 -0.68 -4.91 117.00 111.39 2r6x n LEU 47 Ca 0.03 -0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 2r6x n LEU 47 Cb 0.25 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2r6x n LEU 47 CO 0.20 0.21 1.14 -0.38 -1.33 0.00 0.00 177.39 177.24 2r6x n ILE 48 N -0.67 1.87 -4.03 -0.08 5.41 -1.13 -4.78 119.36 115.95 2r6x n ILE 48 Ca 0.11 -0.47 -0.02 0.00 1.00 0.00 0.00 62.75 63.37 2r6x n ILE 48 Cb 0.36 -1.96 -0.01 0.00 -0.71 0.00 0.00 39.64 37.32 2r6x n ILE 48 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2r6x n ASN 49 N 0.69 0.75 0.15 4.38 0.23 -1.26 -4.97 115.26 115.22 2r6x n ASN 49 Ca 0.02 -1.16 0.17 0.00 -0.53 0.00 0.00 54.58 53.08 2r6x n ASN 49 Cb 0.38 0.09 0.75 0.00 -2.08 0.00 0.00 39.78 38.92 2r6x n ASN 49 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2r6x h SER 50 N 0.13 0.00 1.62 0.53 4.64 -2.00 -0.41 113.55 118.06 2r6x h SER 50 Ca -0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2r6x h SER 50 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2r6x h SER 50 CO 0.04 0.00 -0.39 0.45 -0.87 0.00 0.00 176.83 176.06 2r6x h HIS 51 N 0.00 0.00 -0.03 4.77 3.86 -1.96 -3.35 115.15 118.44 2r6x h HIS 51 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2r6x h HIS 51 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2r6x h HIS 51 CO 0.00 0.17 0.00 0.25 0.86 0.00 0.00 177.93 179.21 2r6x n THR 52 N -3.05 0.54 -0.48 2.45 -2.24 -0.63 -4.76 114.28 106.10 2r6x n THR 52 Ca 0.02 -0.77 0.40 0.00 -2.27 0.00 0.00 64.05 61.44 2r6x n THR 52 Cb 0.61 0.75 0.72 0.00 -2.10 0.00 0.00 70.33 70.31 2r6x n THR 52 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2r6x h GLN 53 N 0.33 0.06 -0.05 -0.78 5.75 -1.26 -1.51 115.11 117.65 2r6x h GLN 53 Ca 0.00 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2r6x h GLN 53 Cb 0.32 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 2r6x h GLN 53 CO 0.00 0.04 0.03 -0.39 -2.65 0.00 0.00 178.83 175.87 2r6x h VAL 54 N 0.06 0.95 0.00 2.39 -1.51 -1.89 -2.57 116.25 113.69 2r6x h VAL 54 Ca 0.76 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.23 2r6x h VAL 54 Cb 2.77 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 2r6x h VAL 54 CO -0.16 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.36 2r6x n LEU 55 N -4.49 0.00 0.01 4.19 4.77 -0.57 -4.20 117.00 116.71 2r6x n LEU 55 Ca -0.02 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 2r6x n LEU 55 Cb 0.14 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.68 2r6x n LEU 55 CO 0.34 -0.10 0.71 -1.28 -1.33 0.00 0.00 177.39 175.73 2r6x h SER 56 N 0.00 -0.01 -0.47 -1.43 0.87 -1.63 -2.89 113.55 107.98 2r6x h SER 56 Ca 0.00 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 2r6x h SER 56 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 2r6x h SER 56 CO 0.00 0.30 0.13 0.78 -0.53 0.00 0.00 176.83 177.52 2r6x h ASN 57 N -0.33 0.70 -0.62 6.23 2.35 -1.81 -1.46 115.58 120.64 2r6x h ASN 57 Ca -0.00 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.48 2r6x h ASN 57 Cb 0.32 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2r6x h ASN 57 CO 0.00 0.73 0.20 1.05 -1.65 0.00 0.00 177.43 177.76 2r6x h GLU 58 N 0.63 0.96 -0.54 0.81 4.11 -1.82 0.34 114.58 119.06 2r6x h GLU 58 Ca 0.15 -0.20 0.03 0.00 0.07 0.00 0.00 59.36 59.41 2r6x h GLU 58 Cb 0.29 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2r6x h GLU 58 CO -0.00 0.85 0.31 -0.07 0.07 0.00 0.00 179.01 180.17 2r6x h LEU 59 N 0.88 0.49 -0.35 3.06 3.38 -1.41 0.67 115.31 122.03 2r6x h LEU 59 Ca 0.20 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2r6x h LEU 59 Cb 0.29 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2r6x h LEU 59 CO -0.01 0.34 0.21 -0.08 0.09 0.00 0.00 178.44 178.99 2r6x h GLU 60 N 0.61 0.42 -0.51 1.13 4.57 -0.62 -1.64 114.58 118.54 2r6x h GLU 60 Ca 0.23 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.43 2r6x h GLU 60 Cb 0.07 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 2r6x h GLU 60 CO -0.12 0.28 0.26 1.49 -1.18 0.00 0.00 179.01 179.74 2r6x h GLU 61 N 0.43 0.50 -0.67 1.92 4.57 0.21 -2.46 114.58 119.08 2r6x h GLU 61 Ca 0.14 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.40 2r6x h GLU 61 Cb -0.01 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.39 2r6x h GLU 61 CO -0.06 0.33 0.25 0.82 -1.18 0.00 0.00 179.01 179.18 2r6x h ILE 62 N 0.51 0.72 -0.94 2.32 2.04 0.86 -1.93 117.51 121.09 2r6x h ILE 62 Ca 0.23 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 66.05 2r6x h ILE 62 Cb 0.13 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 2r6x h ILE 62 CO -0.16 0.08 0.57 1.56 0.00 0.00 0.00 178.15 180.21 2r6x h GLN 63 N 0.42 0.90 -0.26 2.37 4.20 -0.85 -0.51 115.11 121.39 2r6x h GLN 63 Ca 0.35 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.01 2r6x h GLN 63 Cb 0.47 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2r6x h GLN 63 CO -0.35 0.59 0.16 1.96 -0.67 0.00 0.00 178.83 180.52 2r6x h GLN 64 N 0.92 0.31 -0.82 1.46 1.08 -1.18 -2.45 115.11 114.43 2r6x h GLN 64 Ca 0.46 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.60 2r6x h GLN 64 Cb 0.44 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 2r6x h GLN 64 CO -0.26 0.21 0.37 -0.07 -0.95 0.00 0.00 178.83 178.12 2r6x h LEU 65 N 0.32 1.10 -1.12 1.46 3.38 -0.73 -2.41 115.31 117.32 2r6x h LEU 65 Ca 0.10 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2r6x h LEU 65 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2r6x h LEU 65 CO -0.04 0.95 -0.15 -0.07 0.09 0.00 0.00 178.44 179.22 2r6x h LEU 66 N 1.18 0.42 -0.72 1.67 3.38 -1.04 -1.17 115.31 119.04 2r6x h LEU 66 Ca 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2r6x h LEU 66 Cb 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2r6x h LEU 66 CO -0.03 0.60 0.39 0.15 0.09 0.00 0.00 178.44 179.64 2r6x h PHE 67 N 0.40 0.99 -0.51 1.13 3.57 -0.94 0.17 116.94 121.75 2r6x h PHE 67 Ca 0.07 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2r6x h PHE 67 Cb 0.51 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2r6x h PHE 67 CO 0.01 0.71 0.14 -0.44 -2.23 0.00 0.00 178.31 176.50 2r6x h ASP 68 N 0.99 0.76 -0.70 0.41 3.32 -1.19 -1.57 116.42 118.44 2r6x h ASP 68 Ca 0.25 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2r6x h ASP 68 Cb 0.05 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 2r6x h ASP 68 CO -0.04 0.78 0.43 0.00 -1.72 0.00 0.00 179.24 178.70 2r6x h GLY 70 N 0.83 1.16 0.96 0.00 0.00 -0.70 -1.67 103.07 103.65 2r6x h GLY 70 Ca 0.29 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2r6x h GLY 70 CO -0.13 0.58 0.19 0.84 0.00 0.00 0.00 176.54 178.02 2r6x h HIS 71 N 1.05 0.49 -0.12 5.60 6.17 -0.77 -1.99 115.15 125.57 2r6x h HIS 71 Ca 0.25 -0.01 -0.13 0.00 0.71 0.00 0.00 60.37 61.19 2r6x h HIS 71 Cb 0.17 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 2r6x h HIS 71 CO 0.01 0.39 -0.49 -0.44 0.71 0.00 0.00 177.93 178.11 2r6x h ASP 72 N 0.44 0.35 0.22 3.26 5.19 -1.23 -2.64 116.42 122.01 2r6x h ASP 72 Ca 0.12 -0.17 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 2r6x h ASP 72 Cb 0.07 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2r6x h ASP 72 CO -0.02 0.78 -0.25 -0.07 -3.12 0.00 0.00 179.24 176.56 2r6x h LEU 73 N 0.26 0.06 -0.00 1.55 3.38 -1.07 -2.38 115.31 117.10 2r6x h LEU 73 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r6x h LEU 73 Cb 0.96 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2r6x h LEU 73 CO 0.08 0.31 -0.00 0.00 0.09 0.00 0.00 178.44 178.92 2r6x n ALA 74 N -2.49 2.49 -2.99 1.53 0.00 -0.77 -4.76 120.51 113.52 2r6x n ALA 74 Ca -0.02 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 2r6x n ALA 74 Cb 0.32 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 2r6x n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2r6x s THR 75 N -2.55 4.34 0.38 0.00 2.01 -0.90 -2.04 115.64 116.87 2r6x s THR 75 Ca 0.29 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 2r6x s THR 75 Cb 0.20 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 69.36 2r6x s THR 75 CO 0.46 0.03 1.34 -2.84 -0.69 0.00 0.00 174.62 172.92 2r6x s PRO 76 N 1.56 4.10 0.50 4.92 0.02 -1.26 -4.89 135.00 139.94 2r6x s PRO 76 Ca 0.03 2.26 0.28 0.00 0.02 0.00 0.00 61.00 63.60 2r6x s PRO 76 Cb -0.17 -2.89 1.21 0.00 0.02 0.00 0.00 34.50 32.67 2r6x s PRO 76 CO 0.05 -0.42 1.94 0.00 -0.33 0.00 0.00 177.00 178.24 2r6x h ALA 77 N 2.94 1.07 0.00 -1.55 0.00 -1.94 -2.62 119.26 117.16 2r6x h ALA 77 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2r6x h ALA 77 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2r6x h ALA 77 CO 0.64 0.17 -0.72 -0.44 0.00 0.00 0.00 179.25 178.89 2r6x h ASP 78 N 0.00 0.00 -2.40 0.00 3.32 -1.91 -3.47 116.42 111.96 2r6x h ASP 78 Ca -0.00 -0.12 -0.59 0.00 0.02 0.00 0.00 57.03 56.33 2r6x h ASP 78 Cb 0.57 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.19 2r6x h ASP 78 CO 0.02 0.06 0.68 -0.67 -1.72 0.00 0.00 179.24 177.61 2r6x n ASP 79 N -2.38 2.81 0.06 6.45 -0.08 -0.99 -4.92 116.55 117.50 2r6x n ASP 79 Ca 0.02 1.11 -0.00 0.00 -1.51 0.00 0.00 54.79 54.41 2r6x n ASP 79 Cb 0.48 -1.41 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 2r6x n ASP 79 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2r6x h GLU 80 N 5.02 0.00 -0.01 -0.67 -0.00 -1.91 -3.36 114.58 113.66 2r6x h GLU 80 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2r6x h GLU 80 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 2r6x h GLU 80 CO 0.82 0.40 -0.74 0.54 -0.00 0.00 0.00 179.01 180.02 2r6x n ARG 81 N -3.01 0.45 -4.02 1.06 3.00 -1.26 -5.21 116.66 107.67 2r6x n ARG 81 Ca -0.06 -0.36 -0.22 0.00 -0.01 0.00 0.00 57.85 57.20 2r6x n ARG 81 Cb 0.83 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.74 2r6x n ARG 81 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2r6x n HIS 82 N -0.96 0.19 -3.73 -1.55 8.25 -1.26 -5.12 115.22 111.04 2r6x n HIS 82 Ca 0.06 -2.17 -0.37 0.00 -0.26 0.00 0.00 57.72 54.98 2r6x n HIS 82 Cb 0.38 -0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.34 2r6x n HIS 82 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2r6x s PHE 84 N -2.80 3.13 -0.53 4.41 0.08 -1.26 -4.80 117.98 116.22 2r6x s PHE 84 Ca 0.16 -0.68 0.18 0.00 0.12 0.00 0.00 56.93 56.71 2r6x s PHE 84 Cb 0.01 -2.28 -0.23 0.00 -0.57 0.00 0.00 43.02 39.95 2r6x s PHE 84 CO 0.11 -0.47 0.63 0.36 -0.10 0.00 0.00 175.22 175.75 2r6x n LYS 85 N 4.92 0.83 -3.12 0.44 2.85 -1.26 -4.97 118.16 117.85 2r6x n LYS 85 Ca -0.15 -0.07 -0.40 0.00 -1.05 0.00 0.00 58.31 56.64 2r6x n LYS 85 Cb 0.49 -1.39 -0.06 0.00 -0.65 0.00 0.00 35.03 33.42 2r6x n LYS 85 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 2r6x s PHE 86 N -2.94 3.35 -0.12 5.58 5.36 -1.26 -5.06 117.98 122.89 2r6x s PHE 86 Ca 0.01 0.89 0.01 0.00 -0.96 0.00 0.00 56.93 56.89 2r6x s PHE 86 Cb 0.13 -2.81 -0.01 0.00 -0.34 0.00 0.00 43.02 40.00 2r6x s PHE 86 CO 0.76 -0.21 -0.17 0.15 -1.46 0.00 0.00 175.22 174.28 2r6x s LYS 87 N 2.07 3.26 0.38 10.12 1.02 -1.26 -4.82 119.74 130.50 2r6x s LYS 87 Ca 0.28 -0.76 0.20 0.00 0.02 0.00 0.00 55.97 55.71 2r6x s LYS 87 Cb -0.16 -2.51 0.28 0.00 -0.52 0.00 0.00 37.83 34.93 2r6x s LYS 87 CO 0.10 0.20 1.56 -0.56 -0.92 0.00 0.00 175.35 175.73 2r6x h GLN 88 N 6.73 0.00 0.36 1.68 -0.00 -1.97 -3.41 115.11 118.49 2r6x h GLN 88 Ca -0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2r6x h GLN 88 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.68 2r6x h GLN 88 CO 0.52 0.22 -0.34 0.93 -0.00 0.00 0.00 178.83 180.16 2r6x h GLU 89 N 0.00 -0.69 0.02 0.06 3.07 -1.96 0.32 114.58 115.39 2r6x h GLU 89 Ca -0.00 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2r6x h GLU 89 Cb 1.13 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2r6x h GLU 89 CO 0.03 -0.46 -0.01 1.96 -1.40 0.00 0.00 179.01 179.12 2r6x h GLN 90 N -0.72 -0.03 -0.56 2.33 7.50 -2.00 -2.24 115.11 119.39 2r6x h GLN 90 Ca -0.02 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.22 2r6x h GLN 90 Cb 0.65 0.01 -0.07 0.00 0.05 0.00 0.00 27.48 28.11 2r6x h GLN 90 CO -0.05 0.37 0.16 -1.35 -1.50 0.00 0.00 178.83 176.46 2r6x h PRO 91 N -0.44 0.30 -0.31 1.46 0.11 -1.77 -1.66 132.00 129.68 2r6x h PRO 91 Ca -0.00 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.94 2r6x h PRO 91 Cb 0.42 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2r6x h PRO 91 CO 0.01 0.20 -0.41 1.15 -0.21 0.00 0.00 178.00 178.74 2r6x h THR 92 N 0.31 1.29 -0.57 -1.15 2.02 -0.95 -1.13 112.91 112.73 2r6x h THR 92 Ca 0.28 -1.59 -0.08 0.00 0.77 0.00 0.00 66.41 65.79 2r6x h THR 92 Cb 0.37 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2r6x h THR 92 CO -0.33 0.52 0.04 0.58 0.37 0.00 0.00 175.52 176.70 2r6x h VAL 93 N 0.63 1.25 -0.69 3.16 2.07 -1.24 0.16 116.25 121.59 2r6x h VAL 93 Ca 0.05 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 2r6x h VAL 93 Cb 0.97 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2r6x h VAL 93 CO 0.09 0.38 0.26 -0.25 0.02 0.00 0.00 177.57 178.06 2r6x h TRP 94 N 0.88 1.06 -0.55 1.57 7.01 -1.11 0.78 115.95 125.59 2r6x h TRP 94 Ca 0.17 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 2r6x h TRP 94 Cb 0.46 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2r6x h TRP 94 CO 0.03 0.83 0.17 -0.07 -2.79 0.00 0.00 178.44 176.61 2r6x h LEU 95 N 0.98 0.80 -1.13 0.65 3.38 -0.69 -2.94 115.31 116.37 2r6x h LEU 95 Ca 0.23 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2r6x h LEU 95 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2r6x h LEU 95 CO -0.02 0.80 -0.02 -0.33 0.09 0.00 0.00 178.44 178.96 2r6x h GLU 96 N 0.77 0.58 -0.22 1.13 5.08 0.24 -0.13 114.58 122.03 2r6x h GLU 96 Ca 0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2r6x h GLU 96 Cb 0.28 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2r6x h GLU 96 CO -0.01 0.62 0.11 0.93 -1.00 0.00 0.00 179.01 179.67 2r6x h GLU 97 N 0.55 0.32 -0.52 2.33 4.39 -0.81 -2.20 114.58 118.65 2r6x h GLU 97 Ca 0.11 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2r6x h GLU 97 Cb 0.39 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2r6x h GLU 97 CO 0.02 0.33 -0.07 0.87 -1.16 0.00 0.00 179.01 178.99 2r6x h LYS 98 N 0.23 0.93 -0.30 2.33 1.57 -1.29 0.46 116.57 120.51 2r6x h LYS 98 Ca 0.08 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2r6x h LYS 98 Cb 0.12 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2r6x h LYS 98 CO -0.01 0.97 0.06 0.82 -0.57 0.00 0.00 179.45 180.72 2r6x h ILE 99 N 0.84 0.86 -0.51 1.86 2.04 -0.93 0.02 117.51 121.70 2r6x h ILE 99 Ca 0.14 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 2r6x h ILE 99 Cb 0.60 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2r6x h ILE 99 CO 0.04 0.03 -0.04 0.44 0.00 0.00 0.00 178.15 178.62 2r6x h ASP 100 N 0.17 0.92 0.42 1.72 3.32 -1.20 0.37 116.42 122.14 2r6x h ASP 100 Ca 0.14 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 2r6x h ASP 100 Cb 0.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2r6x h ASP 100 CO -0.18 1.03 -0.37 -1.13 -1.72 0.00 0.00 179.24 176.87 2r6x h ASN 101 N 0.79 -0.99 0.54 6.45 -0.73 -0.69 -2.37 115.58 118.59 2r6x h ASN 101 Ca 0.14 0.08 -0.10 0.00 1.87 0.00 0.00 56.30 58.28 2r6x h ASN 101 Cb 0.58 0.32 -0.01 0.00 0.27 0.00 0.00 38.32 39.48 2r6x h ASN 101 CO 0.03 -0.53 -0.50 1.88 -0.37 0.00 0.00 177.43 177.95 2r6x h TYR 102 N -0.79 0.00 -0.39 0.67 0.05 -0.98 -2.78 116.97 112.75 2r6x h TYR 102 Ca -0.04 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 2r6x h TYR 102 Cb 0.70 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 2r6x h TYR 102 CO -0.19 0.50 -0.19 1.15 -1.05 0.00 0.00 178.16 178.38 2r6x h THR 103 N 0.00 1.27 0.00 -2.88 2.02 -0.78 -2.98 112.91 109.56 2r6x h THR 103 Ca -0.00 -1.27 -0.23 0.00 0.77 0.00 0.00 66.41 65.68 2r6x h THR 103 Cb 0.90 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 2r6x h THR 103 CO 0.06 0.42 -1.16 0.06 0.37 0.00 0.00 175.52 175.28 2r6x h GLN 104 N 0.65 0.00 -0.60 6.66 -0.00 -1.20 -3.34 115.11 117.29 2r6x h GLN 104 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.71 2r6x h GLN 104 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.13 2r6x h GLN 104 CO 0.05 0.88 0.21 0.28 -0.00 0.00 0.00 178.83 180.25 2r6x h VAL 105 N 0.00 1.24 -3.72 1.86 2.07 -1.47 -3.45 116.25 112.78 2r6x h VAL 105 Ca -0.07 -0.78 -0.49 0.00 0.82 0.00 0.00 66.70 66.18 2r6x h VAL 105 Cb 1.82 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 2r6x h VAL 105 CO 0.12 0.30 0.13 0.68 0.02 0.00 0.00 177.57 178.81 2r6x s VAL 106 N -5.47 4.61 0.00 2.57 -7.23 -1.13 -5.13 120.40 108.63 2r6x s VAL 106 Ca -0.13 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.15 2r6x s VAL 106 Cb 0.13 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.38 2r6x s VAL 106 CO 0.80 -0.09 0.00 -2.65 -0.31 0.00 0.00 175.10 172.86 2r6x n PRO 107 N -0.08 0.00 -0.62 4.82 -0.02 -1.26 -4.98 135.00 132.86 2r6x n PRO 107 Ca 0.02 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.53 2r6x n PRO 107 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.99 2r6x n PRO 107 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2r6x n LYS 111 N 0.00 -0.43 -2.25 -0.52 0.00 -1.26 -5.11 118.16 108.59 2r6x n LYS 111 Ca 0.00 0.35 -0.36 0.00 0.00 0.00 0.00 58.31 58.30 2r6x n LYS 111 Cb 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 35.03 34.08 2r6x n LYS 111 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2r6x s PHE 112 N -4.73 2.80 -0.17 5.64 0.08 -1.26 -4.89 117.98 115.45 2r6x s PHE 112 Ca 0.00 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 2r6x s PHE 112 Cb 0.00 -3.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.05 2r6x s PHE 112 CO 0.00 -1.56 0.35 0.42 -0.10 0.00 0.00 175.22 174.33 2r6x s ILE 113 N -1.61 5.26 0.08 0.64 1.01 -1.26 -0.69 121.20 124.62 2r6x s ILE 113 Ca 0.67 0.64 -0.13 0.00 0.00 0.00 0.00 60.65 61.82 2r6x s ILE 113 Cb -0.27 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 2r6x s ILE 113 CO 0.32 0.33 0.46 -0.76 0.00 0.00 0.00 174.94 175.30 2r6x s LEU 114 N 0.80 4.39 0.07 2.97 1.43 0.91 -4.86 118.68 124.39 2r6x s LEU 114 Ca 0.18 0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 53.93 2r6x s LEU 114 Cb -0.14 -2.95 -0.08 0.00 0.03 0.00 0.00 46.19 43.05 2r6x s LEU 114 CO 0.06 0.20 1.53 -2.16 0.23 0.00 0.00 176.35 176.21 2r6x s PRO 115 N -1.64 4.24 0.00 1.29 0.04 -1.26 -4.14 135.00 133.54 2r6x s PRO 115 Ca 0.32 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2r6x s PRO 115 Cb -0.15 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2r6x s PRO 115 CO 0.17 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2r6x n GLY 116 N 3.78 -0.99 0.00 0.56 0.00 -1.26 -5.01 105.19 102.26 2r6x n GLY 116 Ca 0.14 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2r6x n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r6x n GLY 117 N -1.32 0.51 3.77 -0.02 0.00 -1.26 -4.39 105.19 102.48 2r6x n GLY 117 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2r6x n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r6x s THR 118 N 0.00 2.96 0.19 2.61 -4.23 -1.26 -4.77 115.64 111.13 2r6x s THR 118 Ca 0.00 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.70 2r6x s THR 118 Cb 0.00 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.98 2r6x s THR 118 CO 0.00 -0.41 1.82 -0.61 -0.54 0.00 0.00 174.62 174.89 2r6x h GLN 119 N -1.25 0.67 -0.54 3.99 4.15 -1.98 0.15 115.11 120.30 2r6x h GLN 119 Ca -0.48 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 2r6x h GLN 119 Cb 1.27 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 2r6x h GLN 119 CO 0.57 0.44 0.29 1.25 -1.93 0.00 0.00 178.83 179.45 2r6x h LEU 120 N 0.69 0.68 0.03 -2.39 5.85 -1.93 -0.74 115.31 117.50 2r6x h LEU 120 Ca 0.23 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2r6x h LEU 120 Cb 0.02 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2r6x h LEU 120 CO -0.10 0.58 -0.06 0.00 -0.34 0.00 0.00 178.44 178.52 2r6x h ALA 121 N 1.13 -0.09 -0.43 1.25 0.00 -1.76 -0.43 119.26 118.94 2r6x h ALA 121 Ca 0.19 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2r6x h ALA 121 Cb 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2r6x h ALA 121 CO -0.03 -0.56 0.07 0.77 0.00 0.00 0.00 179.25 179.49 2r6x h SER 122 N -0.12 -0.03 -0.42 0.00 0.02 -0.92 0.87 113.55 112.96 2r6x h SER 122 Ca 0.02 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2r6x h SER 122 Cb 0.14 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2r6x h SER 122 CO -0.04 0.02 0.28 0.00 -1.14 0.00 0.00 176.83 175.94 2r6x h ALA 123 N 1.34 1.77 -0.00 3.77 0.00 -0.87 0.14 119.26 125.40 2r6x h ALA 123 Ca 0.21 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2r6x h ALA 123 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2r6x h ALA 123 CO -0.29 0.20 -0.83 -0.07 0.00 0.00 0.00 179.25 178.26 2r6x h LEU 124 N 0.51 0.18 -0.81 0.00 3.38 -0.35 -0.33 115.31 117.89 2r6x h LEU 124 Ca 0.16 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2r6x h LEU 124 Cb 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2r6x h LEU 124 CO -0.04 0.93 -0.06 0.45 0.09 0.00 0.00 178.44 179.81 2r6x h HIS 125 N 0.08 0.91 -0.36 1.13 3.86 0.06 -1.81 115.15 119.02 2r6x h HIS 125 Ca -0.03 -0.15 -0.10 0.00 -1.16 0.00 0.00 60.37 58.93 2r6x h HIS 125 Cb 1.44 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.66 2r6x h HIS 125 CO 0.02 0.86 -0.19 0.28 0.86 0.00 0.00 177.93 179.76 2r6x h VAL 126 N 0.76 1.26 -0.60 2.45 2.07 -0.50 -2.81 116.25 118.89 2r6x h VAL 126 Ca 0.14 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.43 2r6x h VAL 126 Cb 0.55 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2r6x h VAL 126 CO 0.03 0.41 0.38 0.00 0.02 0.00 0.00 177.57 178.42 2r6x h ALA 127 N 1.19 0.76 -0.36 1.67 0.00 -0.83 -1.51 119.26 120.18 2r6x h ALA 127 Ca 0.09 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2r6x h ALA 127 Cb 0.66 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2r6x h ALA 127 CO 0.05 0.14 0.03 -0.09 0.00 0.00 0.00 179.25 179.39 2r6x h ARG 128 N 0.76 0.14 -0.07 0.00 2.43 -1.08 0.60 114.38 117.17 2r6x h ARG 128 Ca 0.23 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.25 2r6x h ARG 128 Cb -0.04 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2r6x h ARG 128 CO -0.07 0.09 -0.59 1.79 -1.51 0.00 0.00 179.97 179.67 2r6x h THR 129 N 0.14 1.38 -0.29 0.20 1.35 -1.33 -2.07 112.91 112.29 2r6x h THR 129 Ca 0.18 -1.96 -0.17 0.00 -0.55 0.00 0.00 66.41 63.90 2r6x h THR 129 Cb 0.23 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2r6x h THR 129 CO -0.26 0.58 -0.50 0.40 -0.25 0.00 0.00 175.52 175.49 2r6x h ILE 130 N 0.17 1.28 -0.53 6.82 2.04 -0.85 -0.23 117.51 126.22 2r6x h ILE 130 Ca -0.00 -1.68 0.09 0.00 1.00 0.00 0.00 64.86 64.27 2r6x h ILE 130 Cb 1.09 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.72 2r6x h ILE 130 CO 0.09 0.55 0.12 0.74 0.00 0.00 0.00 178.15 179.65 2r6x h THR 131 N 0.63 0.70 -0.70 -0.27 2.02 -0.76 0.30 112.91 114.84 2r6x h THR 131 Ca 0.02 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 2r6x h THR 131 Cb 1.10 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2r6x h THR 131 CO 0.11 0.05 0.18 0.03 0.37 0.00 0.00 175.52 176.26 2r6x h ARG 132 N 0.25 1.10 -0.15 6.66 3.08 -1.16 0.56 114.38 124.73 2r6x h ARG 132 Ca 0.27 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2r6x h ARG 132 Cb 0.37 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2r6x h ARG 132 CO -0.34 0.96 0.07 -0.09 -1.07 0.00 0.00 179.97 179.49 2r6x h ARG 133 N 1.05 0.14 -0.67 0.04 2.43 -0.33 -1.75 114.38 115.29 2r6x h ARG 133 Ca 0.22 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 2r6x h ARG 133 Cb 0.34 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2r6x h ARG 133 CO -0.00 0.09 0.35 0.00 -1.51 0.00 0.00 179.97 178.90 2r6x h ALA 134 N 1.08 0.90 -0.50 2.80 0.00 -0.75 -2.61 119.26 120.18 2r6x h ALA 134 Ca 0.06 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2r6x h ALA 134 Cb 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2r6x h ALA 134 CO -0.05 -0.01 0.20 1.49 0.00 0.00 0.00 179.25 180.88 2r6x h GLU 135 N 0.63 0.38 -0.95 0.00 4.81 -0.45 0.19 114.58 119.18 2r6x h GLU 135 Ca 0.31 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 2r6x h GLU 135 Cb 0.26 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 2r6x h GLU 135 CO -0.22 0.25 0.63 0.00 -0.73 0.00 0.00 179.01 178.94 2r6x h ARG 136 N 0.39 1.25 -0.18 1.92 3.08 -1.17 -1.01 114.38 118.65 2r6x h ARG 136 Ca 0.24 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 2r6x h ARG 136 Cb 0.24 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2r6x h ARG 136 CO -0.23 0.83 -0.34 0.37 -1.07 0.00 0.00 179.97 179.52 2r6x h GLN 137 N 1.29 0.38 -0.48 0.04 5.75 -1.00 -1.00 115.11 120.09 2r6x h GLN 137 Ca 0.35 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 2r6x h GLN 137 Cb -0.14 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 2r6x h GLN 137 CO -0.08 0.68 -0.13 0.82 -2.65 0.00 0.00 178.83 177.47 2r6x h ILE 138 N 0.33 1.27 -0.41 2.39 2.04 -0.04 -2.21 117.51 120.87 2r6x h ILE 138 Ca 0.04 -1.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 2r6x h ILE 138 Cb 0.76 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2r6x h ILE 138 CO 0.06 0.43 0.04 0.58 0.00 0.00 0.00 178.15 179.26 2r6x h VAL 139 N 0.81 1.25 -0.59 1.67 2.07 -1.09 -1.77 116.25 118.59 2r6x h VAL 139 Ca 0.13 -0.93 0.09 0.00 0.82 0.00 0.00 66.70 66.80 2r6x h VAL 139 Cb 0.66 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 2r6x h VAL 139 CO 0.05 0.32 0.22 -0.61 0.02 0.00 0.00 177.57 177.57 2r6x h GLN 140 N 0.54 0.39 -0.29 1.57 5.75 -1.06 -0.87 115.11 121.13 2r6x h GLN 140 Ca 0.12 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2r6x h GLN 140 Cb 0.42 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2r6x h GLN 140 CO 0.01 0.26 0.12 1.25 -2.65 0.00 0.00 178.83 177.82 2r6x h LEU 141 N 0.40 0.17 -1.60 -2.39 5.85 -1.29 -3.02 115.31 113.43 2r6x h LEU 141 Ca 0.30 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.18 2r6x h LEU 141 Cb 0.36 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2r6x h LEU 141 CO -0.30 0.13 0.49 -0.03 -0.34 0.00 0.00 178.44 178.39 2r6x h MET 142 N 0.27 0.39 0.00 1.25 4.05 -0.37 0.20 114.93 120.71 2r6x h MET 142 Ca 0.12 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2r6x h MET 142 Cb 0.06 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2r6x h MET 142 CO -0.10 0.26 0.00 0.00 0.23 0.00 0.00 176.91 177.30 2r6x h ARG 143 N 0.40 0.00 0.00 0.39 3.08 -1.07 -3.29 114.38 113.90 2r6x h ARG 143 Ca 0.35 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.11 2r6x h ARG 143 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 2r6x h ARG 143 CO -0.11 0.00 -2.10 0.39 -1.07 0.00 0.00 179.97 177.08 2r6x n GLU 144 N -2.61 1.00 -4.20 0.04 1.02 0.03 -5.06 120.64 110.85 2r6x n GLU 144 Ca 0.04 0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 2r6x n GLU 144 Cb 0.40 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.31 2r6x n GLU 144 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2r6x s GLU 145 N -2.39 0.90 0.15 3.49 0.41 0.48 -5.12 118.70 116.63 2r6x s GLU 145 Ca -0.17 -1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 52.91 2r6x s GLU 145 Cb 0.06 -0.67 -0.07 0.00 -1.78 0.00 0.00 34.13 31.66 2r6x s GLU 145 CO 0.55 0.12 1.23 -0.65 -0.49 0.00 0.00 175.26 176.01 2r6x s GLN 146 N -2.71 4.45 0.35 1.61 1.11 -1.26 -4.14 119.66 119.07 2r6x s GLN 146 Ca 0.06 1.88 0.04 0.00 0.01 0.00 0.00 55.36 57.36 2r6x s GLN 146 Cb -0.04 -3.26 -0.06 0.00 -1.01 0.00 0.00 33.01 28.63 2r6x s GLN 146 CO 0.01 -0.18 0.05 0.96 0.01 0.00 0.00 175.29 176.14 2r6x s ILE 147 N 0.35 1.35 -0.56 1.08 -4.36 -1.26 -4.13 121.20 113.67 2r6x s ILE 147 Ca 0.56 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.67 2r6x s ILE 147 Cb -0.33 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.59 2r6x s ILE 147 CO 0.34 0.00 1.40 0.21 0.24 0.00 0.00 174.94 177.14 2r6x s ASN 148 N -3.55 6.14 0.57 4.36 2.47 -1.26 -4.88 114.94 118.79 2r6x s ASN 148 Ca 0.35 0.28 0.28 0.00 0.42 0.00 0.00 52.86 54.19 2r6x s ASN 148 Cb 0.09 -2.55 1.70 0.00 -1.45 0.00 0.00 41.25 39.04 2r6x s ASN 148 CO 0.16 -1.70 2.20 1.56 -3.72 0.00 0.00 177.10 175.60 2r6x h GLN 149 N 10.99 0.00 -0.90 0.43 1.08 -1.98 -2.11 115.11 122.61 2r6x h GLN 149 Ca -0.27 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.98 2r6x h GLN 149 Cb 1.09 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.47 2r6x h GLN 149 CO 1.18 0.04 0.59 -0.44 -0.95 0.00 0.00 178.83 179.24 2r6x h ASP 150 N 0.00 0.95 -0.29 1.46 5.19 -1.89 -1.89 116.42 119.94 2r6x h ASP 150 Ca -0.00 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2r6x h ASP 150 Cb 0.09 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 2r6x h ASP 150 CO 0.00 0.64 0.13 0.58 -3.12 0.00 0.00 179.24 177.47 2r6x h VAL 151 N 1.10 0.96 -0.73 -1.35 2.07 -1.70 -1.38 116.25 115.23 2r6x h VAL 151 Ca 0.37 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 2r6x h VAL 151 Cb 0.07 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2r6x h VAL 151 CO -0.12 0.05 0.42 0.25 0.02 0.00 0.00 177.57 178.19 2r6x h LEU 152 N 0.27 0.89 -0.01 2.57 5.85 -1.50 0.42 115.31 123.82 2r6x h LEU 152 Ca 0.13 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2r6x h LEU 152 Cb 0.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2r6x h LEU 152 CO -0.11 0.72 -0.04 0.40 -0.34 0.00 0.00 178.44 179.07 2r6x h ILE 153 N 1.00 0.90 0.48 4.05 2.04 -1.21 -1.58 117.51 123.19 2r6x h ILE 153 Ca 0.26 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.10 2r6x h ILE 153 Cb 0.00 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2r6x h ILE 153 CO -0.04 0.00 -0.23 0.15 0.00 0.00 0.00 178.15 178.02 2r6x h PHE 154 N -0.06 -0.61 -0.71 1.37 3.57 -0.91 -2.47 116.94 117.12 2r6x h PHE 154 Ca 0.02 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.64 2r6x h PHE 154 Cb 0.09 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.94 2r6x h PHE 154 CO -0.11 -0.38 0.25 0.82 -2.23 0.00 0.00 178.31 176.66 2r6x h ILE 155 N -0.65 0.65 -0.26 1.41 1.08 -0.90 0.11 117.51 118.94 2r6x h ILE 155 Ca -0.07 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2r6x h ILE 155 Cb 0.50 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2r6x h ILE 155 CO 0.10 0.07 0.11 -1.13 -0.69 0.00 0.00 178.15 176.61 2r6x h ASN 156 N 0.39 0.13 0.17 1.72 -1.24 -1.21 -2.38 115.58 113.16 2r6x h ASN 156 Ca 0.39 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.34 2r6x h ASN 156 Cb 0.58 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2r6x h ASN 156 CO -0.41 0.11 -0.31 -0.09 -1.29 0.00 0.00 177.43 175.45 2r6x h ARG 157 N 0.23 0.22 -0.80 6.67 9.65 -0.83 -3.23 114.38 126.30 2r6x h ARG 157 Ca 0.11 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 2r6x h ARG 157 Cb 0.07 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 2r6x h ARG 157 CO -0.10 0.51 0.39 1.25 2.80 0.00 0.00 179.97 184.81 2r6x h LEU 158 N 0.19 1.03 -1.47 3.80 5.85 -0.30 -0.47 115.31 123.94 2r6x h LEU 158 Ca 0.03 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 2r6x h LEU 158 Cb 0.64 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2r6x h LEU 158 CO 0.05 0.87 -0.27 0.77 -0.34 0.00 0.00 178.44 179.51 2r6x h SER 159 N 1.13 0.00 -0.26 1.25 4.64 -1.53 -1.28 113.55 117.50 2r6x h SER 159 Ca 0.28 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2r6x h SER 159 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2r6x h SER 159 CO -0.04 0.27 -0.26 0.44 -0.87 0.00 0.00 176.83 176.38 2r6x h ASP 160 N 0.00 0.67 -0.57 4.97 3.32 -1.30 -1.81 116.42 121.69 2r6x h ASP 160 Ca -0.00 -0.47 0.12 0.00 0.02 0.00 0.00 57.03 56.69 2r6x h ASP 160 Cb 0.52 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 39.77 2r6x h ASP 160 CO 0.03 1.01 -0.12 0.22 -1.72 0.00 0.00 179.24 178.66 2r6x h TYR 161 N 0.35 -0.26 -0.38 4.55 3.20 -0.64 -1.17 116.97 122.62 2r6x h TYR 161 Ca 0.04 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2r6x h TYR 161 Cb 0.82 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 2r6x h TYR 161 CO 0.07 -0.23 -0.16 0.74 -1.64 0.00 0.00 178.16 176.94 2r6x h PHE 162 N 0.02 0.77 0.08 -3.82 0.04 -0.98 0.34 116.94 113.39 2r6x h PHE 162 Ca 0.28 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.92 2r6x h PHE 162 Cb 0.43 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 2r6x h PHE 162 CO -0.45 0.81 -0.17 0.35 -0.60 0.00 0.00 178.31 178.25 2r6x h PHE 163 N 0.63 -0.45 0.48 -0.55 3.57 -1.14 0.38 116.94 119.86 2r6x h PHE 163 Ca 0.10 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2r6x h PHE 163 Cb 0.63 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2r6x h PHE 163 CO 0.03 -0.26 -0.24 0.00 -2.23 0.00 0.00 178.31 175.61 2r6x h ALA 164 N 0.53 -0.67 -0.92 2.41 0.00 -0.33 -2.20 119.26 118.08 2r6x h ALA 164 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2r6x h ALA 164 Cb 0.35 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2r6x h ALA 164 CO -0.11 -0.88 0.58 0.00 0.00 0.00 0.00 179.25 178.84 2r6x h ALA 165 N -0.15 1.30 -0.45 0.00 0.00 -0.42 -2.05 119.26 117.49 2r6x h ALA 165 Ca -0.06 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2r6x h ALA 165 Cb 0.52 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2r6x h ALA 165 CO 0.10 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.75 2r6x h ALA 166 N 1.45 0.50 -0.65 0.00 0.00 -0.70 0.51 119.26 120.37 2r6x h ALA 166 Ca 0.42 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 2r6x h ALA 166 Cb 0.25 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2r6x h ALA 166 CO -0.20 -0.30 0.12 0.00 0.00 0.00 0.00 179.25 178.87 2r6x h ARG 167 N 0.24 1.06 -0.34 0.00 3.08 -0.99 -1.67 114.38 115.75 2r6x h ARG 167 Ca 0.22 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2r6x h ARG 167 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2r6x h ARG 167 CO -0.28 0.96 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.59 2r6x h TYR 168 N 1.00 0.73 -0.72 3.04 3.20 -0.95 -0.25 116.97 123.01 2r6x h TYR 168 Ca 0.20 -0.15 0.10 0.00 3.14 0.00 0.00 58.73 62.02 2r6x h TYR 168 Cb 0.41 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 2r6x h TYR 168 CO 0.03 0.81 0.35 0.00 -1.64 0.00 0.00 178.16 177.71 2r6x h ALA 169 N 0.81 1.01 -0.49 1.82 0.00 0.37 0.31 119.26 123.09 2r6x h ALA 169 Ca 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2r6x h ALA 169 Cb 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2r6x h ALA 169 CO 0.03 -0.08 0.27 -0.91 0.00 0.00 0.00 179.25 178.57 2r6x h ASN 170 N 0.58 0.60 -0.51 0.00 2.35 -0.90 -2.96 115.58 114.74 2r6x h ASN 170 Ca 0.36 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2r6x h ASN 170 Cb 0.42 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2r6x h ASN 170 CO -0.29 0.51 0.31 0.22 -1.65 0.00 0.00 177.43 176.53 2r6x h TYR 171 N 0.65 0.67 -0.58 1.19 3.20 -0.08 0.69 116.97 122.71 2r6x h TYR 171 Ca 0.17 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.21 2r6x h TYR 171 Cb 0.04 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2r6x h TYR 171 CO -0.02 0.46 0.42 -0.07 -1.64 0.00 0.00 178.16 177.31 2r6x h LEU 172 N 0.69 0.00 -3.35 2.82 3.38 -0.27 -1.63 115.31 116.95 2r6x h LEU 172 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2r6x h LEU 172 Cb -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2r6x h LEU 172 CO -0.04 0.00 0.02 -0.62 0.09 0.00 0.00 178.44 177.89 2r6x n GLU 173 N -4.35 2.58 -3.50 1.13 1.02 -1.04 -4.91 120.64 111.56 2r6x n GLU 173 Ca 0.11 -2.98 -0.24 0.00 -0.02 0.00 0.00 57.16 54.03 2r6x n GLU 173 Cb 0.66 -1.87 0.07 0.00 -0.02 0.00 0.00 31.44 30.27 2r6x n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2r6x n GLN 174 N -0.72 -7.40 -4.63 3.49 6.02 -0.61 -4.98 117.38 108.54 2r6x n GLN 174 Ca 0.28 0.84 -0.33 0.00 -0.01 0.00 0.00 57.00 57.78 2r6x n GLN 174 Cb 1.00 -5.87 -0.14 0.00 1.02 0.00 0.00 30.24 26.25 2r6x n GLN 174 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2r6x s GLN 175 N -6.21 3.36 0.45 -1.09 2.00 0.21 -5.02 119.66 113.35 2r6x s GLN 175 Ca 0.54 -0.69 -0.23 0.00 -2.00 0.00 0.00 55.36 52.98 2r6x s GLN 175 Cb -0.24 -2.68 -0.08 0.00 0.80 0.00 0.00 33.01 30.82 2r6x s GLN 175 CO 0.67 0.13 1.16 -2.14 -0.50 0.00 0.00 175.29 174.61 2r6x s PRO 176 N 0.56 3.82 0.33 1.67 0.02 -1.26 -3.98 135.00 136.16 2r6x s PRO 176 Ca -0.08 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 2r6x s PRO 176 Cb -0.16 -2.46 -0.10 0.00 0.02 0.00 0.00 34.50 31.80 2r6x s PRO 176 CO 0.03 -0.50 1.35 -0.51 -0.33 0.00 0.00 177.00 177.05 2r6x s ASP 177 N -1.33 6.69 0.09 2.53 1.01 -1.26 -4.88 116.67 119.51 2r6x s ASP 177 Ca 0.62 2.74 -0.31 0.00 0.71 0.00 0.00 52.55 56.32 2r6x s ASP 177 Cb -0.29 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 40.93 2r6x s ASP 177 CO 0.35 -0.61 1.34 0.00 0.21 0.00 0.00 175.17 176.46 2r6x s MET 178 N -1.63 4.35 0.01 8.23 0.00 -1.26 -4.97 119.30 124.02 2r6x s MET 178 Ca 0.51 1.98 0.04 0.00 0.00 0.00 0.00 55.69 58.22 2r6x s MET 178 Cb -0.41 -3.32 -0.03 0.00 0.00 0.00 0.00 34.83 31.07 2r6x s MET 178 CO 0.53 -0.41 -0.10 -0.51 0.00 0.00 0.00 175.02 174.54 2r6x s LEU 179 N 1.26 3.01 -0.04 0.18 1.43 -1.26 -0.06 118.68 123.19 2r6x s LEU 179 Ca 0.63 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 2r6x s LEU 179 Cb -0.34 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 2r6x s LEU 179 CO 0.29 0.28 1.64 -0.47 0.23 0.00 0.00 176.35 178.33 2r6x s TYR 180 N -0.96 2.04 -2.17 0.29 5.04 0.13 -4.78 117.35 116.95 2r6x s TYR 180 Ca 0.16 0.23 0.31 0.00 -2.44 0.00 0.00 57.07 55.32 2r6x s TYR 180 Cb -0.11 -3.91 1.62 0.00 0.35 0.00 0.00 41.96 39.91 2r6x s TYR 180 CO 0.06 -3.80 2.06 2.89 -1.34 0.00 0.00 175.55 175.43