#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6x s TYR 4 N 0.00 3.32 -0.31 4.28 -0.85 -1.26 -4.93 117.35 117.61 2r6x s TYR 4 Ca 0.00 0.71 0.19 0.00 -0.52 0.00 0.00 57.07 57.46 2r6x s TYR 4 Cb 0.00 -2.70 -0.27 0.00 0.38 0.00 0.00 41.96 39.37 2r6x s TYR 4 CO 0.00 -0.19 0.55 0.25 -1.52 0.00 0.00 175.55 174.64 2r6x n THR 5 N 4.86 0.00 -0.91 -3.49 -2.24 -1.26 -4.99 114.28 106.24 2r6x n THR 5 Ca -0.04 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2r6x n THR 5 Cb 0.50 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2r6x n THR 5 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2r6x n LYS 6 N -1.95 -0.48 0.22 -0.78 5.02 -1.26 -4.92 118.16 114.02 2r6x n LYS 6 Ca -0.01 0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.49 2r6x n LYS 6 Cb 0.44 -3.63 0.47 0.00 -0.02 0.00 0.00 35.03 32.30 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 -0.21 4.39 2.35 -1.94 -3.04 115.58 117.13 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 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2r6x h ASN 7 CO 0.00 0.25 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 2r6x n GLY 8 N 0.00 0.57 0.26 2.83 0.00 -1.25 -4.44 105.19 103.15 2r6x n GLY 8 Ca -0.00 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 2.65 0.00 -0.69 1.61 5.19 -1.79 -1.16 116.42 122.23 2r6x h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2r6x h ASP 9 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2r6x h ASP 9 CO 0.00 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.41 2r6x n LYS 10 N -2.83 2.92 -0.36 3.56 5.02 -1.26 -4.96 118.16 120.24 2r6x n LYS 10 Ca -0.00 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.63 2r6x n LYS 10 Cb 0.19 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.45 0.72 3.84 0.72 0.00 -0.44 -5.05 105.19 106.44 2r6x n GLY 11 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.64 2.75 0.25 1.61 -0.21 -1.26 -0.67 119.66 121.50 2r6x s GLN 12 Ca 0.00 -1.25 -0.21 0.00 0.02 0.00 0.00 55.36 53.91 2r6x s GLN 12 Cb 0.00 -2.48 0.04 0.00 1.00 0.00 0.00 33.01 31.57 2r6x s GLN 12 CO 0.00 0.17 0.83 -0.08 -2.12 0.00 0.00 175.29 174.09 2r6x s THR 13 N -2.27 0.00 0.33 -0.19 -1.32 0.42 -3.90 115.64 108.71 2r6x s THR 13 Ca 0.39 -0.86 0.08 0.00 -1.21 0.00 0.00 61.69 60.08 2r6x s THR 13 Cb -0.06 -2.22 -0.03 0.00 -1.51 0.00 0.00 72.50 68.68 2r6x s THR 13 CO 0.26 0.00 0.26 -0.13 -2.21 0.00 0.00 174.62 172.80 2r6x s ARG 14 N -3.31 2.69 0.38 7.08 1.81 -1.26 -0.08 118.95 126.26 2r6x s ARG 14 Ca 0.13 -1.31 0.04 0.00 -1.72 0.00 0.00 55.73 52.87 2r6x s ARG 14 Cb -0.04 -2.44 -0.03 0.00 -0.45 0.00 0.00 34.95 31.99 2r6x s ARG 14 CO 0.06 0.13 0.13 0.96 -0.68 0.00 0.00 175.30 175.90 2r6x s ILE 15 N -2.31 0.59 -1.93 1.52 -4.36 -1.26 -4.90 121.20 108.55 2r6x s ILE 15 Ca 0.40 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 2r6x s ILE 15 Cb -0.05 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.24 2r6x s ILE 15 CO 0.26 0.00 0.00 -0.38 0.24 0.00 0.00 174.94 175.06 2r6x n ILE 16 N -0.83 0.00 -0.62 8.37 2.08 -0.45 -5.02 119.36 122.89 2r6x n ILE 16 Ca -0.04 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.25 2r6x n ILE 16 Cb 0.65 -0.49 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 2r6x n ILE 16 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 2r6x n GLN 19 N -0.46 0.00 -3.13 0.38 0.00 -1.26 -4.68 117.38 108.23 2r6x n GLN 19 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.61 2r6x n GLN 19 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 30.24 29.38 2r6x n GLN 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2r6x s ILE 20 N -1.63 5.06 0.16 1.69 -1.09 -1.26 -4.59 121.20 119.54 2r6x s ILE 20 Ca 0.01 1.30 0.08 0.00 -2.23 0.00 0.00 60.65 59.81 2r6x s ILE 20 Cb 0.00 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2r6x s ILE 20 CO 0.03 0.29 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.11 2r6x s LEU 21 N 0.61 2.46 0.42 2.97 1.43 0.89 -4.94 118.68 122.52 2r6x s LEU 21 Ca 0.34 -0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 2r6x s LEU 21 Cb -0.17 -0.73 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 2r6x s LEU 21 CO 0.16 -0.09 1.08 -0.31 0.23 0.00 0.00 176.35 177.42 2r6x s TYR 22 N -2.30 3.13 0.45 0.29 2.02 -1.26 -0.44 117.35 119.25 2r6x s TYR 22 Ca 0.16 1.61 0.31 0.00 -0.37 0.00 0.00 57.07 58.77 2r6x s TYR 22 Cb -0.04 -3.20 1.66 0.00 -0.40 0.00 0.00 41.96 39.99 2r6x s TYR 22 CO 0.06 -0.90 2.14 0.87 -1.57 0.00 0.00 175.55 176.15 2r6x h LYS 23 N 2.28 0.00 -0.04 -0.62 1.57 -1.23 -1.09 116.57 117.44 2r6x h LYS 23 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2r6x h LYS 23 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2r6x h LYS 23 CO 0.61 0.07 0.00 0.27 -0.57 0.00 0.00 179.45 179.83 2r6x n ASN 24 N -3.53 0.83 -4.73 0.86 6.94 -1.26 -4.40 115.26 109.97 2r6x n ASN 24 Ca -0.02 -1.38 -0.42 0.00 -0.02 0.00 0.00 54.58 52.74 2r6x n ASN 24 Cb 0.19 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.58 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 -0.31 3.57 0.08 0.53 -0.08 -0.42 -4.78 116.55 115.14 2r6x n ASP 25 Ca 0.19 1.16 0.19 0.00 -1.51 0.00 0.00 54.79 54.82 2r6x n ASP 25 Cb 0.23 -1.56 0.74 0.00 2.34 0.00 0.00 41.12 42.86 2r6x n ASP 25 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2r6x h PRO 26 N 4.26 0.00 -0.13 -0.67 0.13 -1.91 0.27 132.00 133.96 2r6x h PRO 26 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2r6x h PRO 26 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 2r6x h PRO 26 CO 0.75 0.00 -0.66 -0.09 -0.23 0.00 0.00 178.00 177.77 2r6x h ARG 27 N 0.00 0.68 -0.65 0.86 2.43 -1.93 0.16 114.38 115.92 2r6x h ARG 27 Ca 0.19 -0.55 -0.08 0.00 -0.81 0.00 0.00 59.98 58.73 2r6x h ARG 27 Cb 0.84 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 2r6x h ARG 27 CO -0.00 1.17 0.11 0.28 -1.51 0.00 0.00 179.97 180.02 2r6x h VAL 28 N 0.35 1.26 -0.41 0.20 2.07 -1.34 -1.97 116.25 116.41 2r6x h VAL 28 Ca -0.05 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.31 2r6x h VAL 28 Cb 1.30 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2r6x h VAL 28 CO 0.14 0.38 -0.34 0.00 0.02 0.00 0.00 177.57 177.76 2r6x h ALA 29 N 1.11 0.60 -0.49 1.67 0.00 -0.97 0.11 119.26 121.28 2r6x h ALA 29 Ca 0.20 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2r6x h ALA 29 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2r6x h ALA 29 CO 0.01 0.68 0.08 0.00 0.00 0.00 0.00 179.25 180.02 2r6x h ALA 30 N 0.80 1.22 0.12 0.00 0.00 -0.90 0.02 119.26 120.51 2r6x h ALA 30 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2r6x h ALA 30 Cb 0.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2r6x h ALA 30 CO 0.09 0.53 -0.06 -0.92 0.00 0.00 0.00 179.25 178.89 2r6x h TYR 31 N 0.74 -0.14 -0.95 0.00 3.20 -1.15 -2.62 116.97 116.04 2r6x h TYR 31 Ca 0.16 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.11 2r6x h TYR 31 Cb 0.33 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 2r6x h TYR 31 CO 0.02 0.23 0.61 0.78 -1.64 0.00 0.00 178.16 178.16 2r6x h GLY 32 N -0.54 1.44 0.98 1.82 0.00 -0.58 -1.30 103.07 104.89 2r6x h GLY 32 Ca -0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 2r6x h GLY 32 CO 0.03 0.24 -0.04 0.83 0.00 0.00 0.00 176.54 177.60 2r6x h GLU 33 N 1.01 0.80 -0.44 4.80 4.39 -0.98 0.22 114.58 124.38 2r6x h GLU 33 Ca 0.44 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 2r6x h GLU 33 Cb 0.34 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2r6x h GLU 33 CO -0.19 0.88 0.08 0.28 -1.16 0.00 0.00 179.01 178.90 2r6x h VAL 34 N 0.63 1.24 -0.86 3.13 2.07 -1.21 -1.06 116.25 120.19 2r6x h VAL 34 Ca 0.12 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2r6x h VAL 34 Cb 0.55 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 2r6x h VAL 34 CO 0.03 0.31 0.56 -1.13 0.02 0.00 0.00 177.57 177.36 2r6x h ASN 35 N 0.59 0.96 -0.56 0.57 -1.24 -0.95 -0.01 115.58 114.92 2r6x h ASN 35 Ca 0.13 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 2r6x h ASN 35 Cb 0.37 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 2r6x h ASN 35 CO 0.01 0.67 0.21 -0.08 -1.29 0.00 0.00 177.43 176.95 2r6x h GLU 36 N 1.12 0.89 0.04 6.67 4.81 -0.36 -1.54 114.58 126.21 2r6x h GLU 36 Ca 0.33 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2r6x h GLU 36 Cb -0.06 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 2r6x h GLU 36 CO -0.10 0.76 -0.03 1.25 -0.73 0.00 0.00 179.01 180.16 2r6x h LEU 37 N 0.87 -0.07 -0.25 1.64 5.85 -0.41 -2.72 115.31 120.22 2r6x h LEU 37 Ca 0.20 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.99 2r6x h LEU 37 Cb 0.22 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 2r6x h LEU 37 CO -0.01 -0.05 -0.23 -1.13 -0.34 0.00 0.00 178.44 176.68 2r6x h ASN 38 N -0.07 -0.73 -0.85 1.25 -0.00 -0.54 0.20 115.58 114.84 2r6x h ASN 38 Ca 0.00 0.14 0.19 0.00 -0.00 0.00 0.00 56.30 56.62 2r6x h ASN 38 Cb 0.06 0.35 -0.16 0.00 -0.00 0.00 0.00 38.32 38.57 2r6x h ASN 38 CO -0.00 -0.26 -0.15 -1.20 -0.00 0.00 0.00 177.43 175.81 2r6x n SER 39 N -5.37 -0.25 0.06 1.15 7.64 -0.62 -1.05 113.62 115.17 2r6x n SER 39 Ca -0.01 1.46 -0.11 0.00 1.01 0.00 0.00 58.87 61.23 2r6x n SER 39 Cb 0.28 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2r6x n SER 39 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2r6x h TRP 40 N 0.00 0.56 -0.51 1.43 2.91 -0.31 -0.23 115.95 119.80 2r6x h TRP 40 Ca 0.44 -0.27 -0.08 0.00 1.13 0.00 0.00 58.89 60.11 2r6x h TRP 40 Cb 0.74 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.30 2r6x h TRP 40 CO -0.60 1.05 0.00 0.28 -1.03 0.00 0.00 178.44 178.15 2r6x h VAL 41 N 0.25 1.26 -0.56 2.65 2.07 -0.66 0.44 116.25 121.71 2r6x h VAL 41 Ca -0.05 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.47 2r6x h VAL 41 Cb 1.41 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 2r6x h VAL 41 CO 0.14 0.38 0.19 1.23 0.02 0.00 0.00 177.57 179.53 2r6x h GLY 42 N 0.76 0.75 1.26 2.17 0.00 -0.87 0.57 103.07 107.71 2r6x h GLY 42 Ca 0.14 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 2r6x h GLY 42 CO 0.03 -0.02 -0.39 -1.82 0.00 0.00 0.00 176.54 174.33 2r6x h TYR 43 N 0.36 0.97 -0.43 5.60 3.20 -0.45 -2.90 116.97 123.32 2r6x h TYR 43 Ca 0.28 -0.29 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2r6x h TYR 43 Cb 0.34 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2r6x h TYR 43 CO -0.18 1.07 0.27 1.15 -1.64 0.00 0.00 178.16 178.83 2r6x h THR 44 N 0.66 1.08 -0.42 1.81 2.02 0.23 -2.91 112.91 115.38 2r6x h THR 44 Ca 0.05 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2r6x h THR 44 Cb 0.96 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2r6x h THR 44 CO 0.09 0.10 0.23 0.50 0.37 0.00 0.00 175.52 176.81 2r6x h LYS 45 N 0.55 0.57 0.00 6.66 3.64 -0.76 -1.78 116.57 125.46 2r6x h LYS 45 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2r6x h LYS 45 Cb -0.03 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2r6x h LYS 45 CO -0.06 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.21 2r6x h SER 46 N 0.58 0.00 0.34 4.20 4.64 -1.31 -2.70 113.55 119.30 2r6x h SER 46 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2r6x h SER 46 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2r6x h SER 46 CO -0.03 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 176.06 2r6x n LEU 47 N -2.54 0.28 -4.74 5.97 4.77 -0.67 -4.92 117.00 115.16 2r6x n LEU 47 Ca 0.00 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 2r6x n LEU 47 Cb 0.18 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2r6x n LEU 47 CO 0.19 0.05 1.06 -0.63 -1.33 0.00 0.00 177.39 176.73 2r6x s ILE 48 N -2.40 2.99 0.38 -0.08 1.01 -1.02 -4.75 121.20 117.33 2r6x s ILE 48 Ca 0.33 0.79 0.02 0.00 0.00 0.00 0.00 60.65 61.79 2r6x s ILE 48 Cb 0.20 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 39.19 2r6x s ILE 48 CO 0.45 0.11 0.19 -0.46 0.00 0.00 0.00 174.94 175.22 2r6x n ASN 49 N 2.82 2.52 -0.09 3.58 0.23 -1.26 -4.94 115.26 118.11 2r6x n ASN 49 Ca 0.08 -2.44 0.06 0.00 -0.53 0.00 0.00 54.58 51.74 2r6x n ASN 49 Cb 0.41 0.07 0.39 0.00 -2.08 0.00 0.00 39.78 38.58 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 0.61 0.56 -0.71 0.53 4.64 -2.00 -0.65 113.55 116.54 2r6x h SER 50 Ca -0.27 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2r6x h SER 50 Cb 0.91 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 2r6x h SER 50 CO 0.43 0.38 0.45 0.45 -0.87 0.00 0.00 176.83 177.67 2r6x h HIS 51 N 0.65 0.92 -0.28 4.77 3.86 -1.96 -3.27 115.15 119.83 2r6x h HIS 51 Ca 0.23 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2r6x h HIS 51 Cb 0.12 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.29 2r6x h HIS 51 CO -0.00 0.60 0.00 0.25 0.86 0.00 0.00 177.93 179.64 2r6x n THR 52 N -4.41 0.63 -0.17 2.45 -2.24 -0.48 -4.51 114.28 105.55 2r6x n THR 52 Ca 0.07 -0.81 0.26 0.00 -2.27 0.00 0.00 64.05 61.30 2r6x n THR 52 Cb 0.05 0.79 0.68 0.00 -2.10 0.00 0.00 70.33 69.76 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 2.62 0.08 0.00 -0.78 5.75 -1.23 -1.49 115.11 120.06 2r6x h GLN 53 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2r6x h GLN 53 Cb 0.71 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.25 2r6x h GLN 53 CO 0.00 0.05 0.00 -0.39 -2.65 0.00 0.00 178.83 175.84 2r6x h VAL 54 N 0.08 0.00 0.00 2.39 -1.51 -1.85 -2.40 116.25 112.96 2r6x h VAL 54 Ca 0.41 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 2r6x h VAL 54 Cb 1.52 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2r6x h VAL 54 CO -0.04 0.00 -0.97 0.18 -1.23 0.00 0.00 177.57 175.51 2r6x n LEU 55 N -2.34 0.62 -0.07 4.19 4.77 -0.56 -4.54 117.00 119.07 2r6x n LEU 55 Ca -0.01 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 2r6x n LEU 55 Cb 0.04 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2r6x n LEU 55 CO 0.11 0.06 0.82 -1.28 -1.33 0.00 0.00 177.39 175.76 2r6x h SER 56 N 0.00 -0.23 -0.53 -1.43 0.87 -1.57 -2.64 113.55 108.03 2r6x h SER 56 Ca 0.00 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 2r6x h SER 56 Cb 0.70 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 2r6x h SER 56 CO 0.00 -0.08 -0.15 -1.13 -0.53 0.00 0.00 176.83 174.94 2r6x h ASN 57 N 0.01 1.04 1.04 6.23 -0.73 -1.80 -1.85 115.58 119.52 2r6x h ASN 57 Ca 0.13 -0.37 -0.07 0.00 1.87 0.00 0.00 56.30 57.86 2r6x h ASN 57 Cb 0.20 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 2r6x h ASN 57 CO -0.27 1.17 -0.35 1.05 -0.37 0.00 0.00 177.43 178.66 2r6x h GLU 58 N 0.91 0.00 -0.31 6.67 4.11 -1.84 -2.33 114.58 121.78 2r6x h GLU 58 Ca 0.13 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.46 2r6x h GLU 58 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2r6x h GLU 58 CO 0.06 0.35 -0.18 -0.07 0.07 0.00 0.00 179.01 179.23 2r6x h LEU 59 N 0.00 0.70 -1.16 3.06 3.38 -1.03 -0.91 115.31 119.35 2r6x h LEU 59 Ca -0.00 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2r6x h LEU 59 Cb 0.96 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2r6x h LEU 59 CO 0.05 0.97 0.11 1.05 0.09 0.00 0.00 178.44 180.71 2r6x h GLU 60 N 0.43 0.70 0.13 1.13 4.11 -1.28 -2.41 114.58 117.39 2r6x h GLU 60 Ca 0.06 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2r6x h GLU 60 Cb 0.72 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2r6x h GLU 60 CO 0.05 0.64 -0.06 1.49 0.07 0.00 0.00 179.01 181.20 2r6x h GLU 61 N 0.68 -0.16 -0.82 1.06 4.57 -1.28 -2.29 114.58 116.34 2r6x h GLU 61 Ca 0.15 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.54 2r6x h GLU 61 Cb 0.26 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 28.76 2r6x h GLU 61 CO -0.00 -0.00 0.20 0.82 -1.18 0.00 0.00 179.01 178.85 2r6x h ILE 62 N -0.29 0.41 -0.58 2.32 2.04 -1.06 0.32 117.51 120.67 2r6x h ILE 62 Ca -0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2r6x h ILE 62 Cb 0.23 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2r6x h ILE 62 CO 0.03 0.04 0.37 1.56 0.00 0.00 0.00 178.15 180.16 2r6x h GLN 63 N 0.24 0.73 -0.17 2.37 4.20 -1.18 0.29 115.11 121.59 2r6x h GLN 63 Ca 0.49 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.17 2r6x h GLN 63 Cb 0.91 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2r6x h GLN 63 CO -0.59 0.49 0.04 1.96 -0.67 0.00 0.00 178.83 180.05 2r6x h GLN 64 N 0.76 0.11 -0.73 1.46 1.08 -0.61 -0.51 115.11 116.66 2r6x h GLN 64 Ca 0.22 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.43 2r6x h GLN 64 Cb -0.06 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 2r6x h GLN 64 CO -0.06 0.07 0.48 -0.07 -0.95 0.00 0.00 178.83 178.30 2r6x h LEU 65 N 0.11 0.79 -0.81 1.46 3.38 -0.54 -2.27 115.31 117.42 2r6x h LEU 65 Ca 0.07 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2r6x h LEU 65 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2r6x h LEU 65 CO -0.10 0.56 -0.39 -0.07 0.09 0.00 0.00 178.44 178.54 2r6x h LEU 66 N 0.93 0.45 -0.39 1.67 3.38 -0.12 -1.54 115.31 119.67 2r6x h LEU 66 Ca 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2r6x h LEU 66 Cb -0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2r6x h LEU 66 CO -0.07 0.79 0.26 0.15 0.09 0.00 0.00 178.44 179.66 2r6x h PHE 67 N 0.36 0.49 -0.70 1.13 3.57 -0.52 -0.67 116.94 120.60 2r6x h PHE 67 Ca 0.03 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2r6x h PHE 67 Cb 0.84 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2r6x h PHE 67 CO 0.03 0.31 0.16 -0.44 -2.23 0.00 0.00 178.31 176.14 2r6x h ASP 68 N 0.53 1.06 -0.38 0.41 3.32 -1.32 -2.33 116.42 117.71 2r6x h ASP 68 Ca 0.14 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.01 2r6x h ASP 68 Cb -0.06 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.16 2r6x h ASP 68 CO -0.03 1.02 0.11 0.00 -1.72 0.00 0.00 179.24 178.62 2r6x h GLY 70 N 0.25 -0.09 0.04 0.00 0.00 -0.97 -1.87 103.07 100.44 2r6x h GLY 70 Ca 0.18 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.75 2r6x h GLY 70 CO -0.20 -0.15 -0.28 0.84 0.00 0.00 0.00 176.54 176.74 2r6x h HIS 71 N -0.19 -0.76 -0.63 5.60 6.17 -1.01 -1.77 115.15 122.56 2r6x h HIS 71 Ca 0.09 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 2r6x h HIS 71 Cb 0.32 0.38 -0.03 0.00 2.52 0.00 0.00 27.41 30.60 2r6x h HIS 71 CO -0.26 -0.35 0.30 -0.44 0.71 0.00 0.00 177.93 177.89 2r6x h ASP 72 N -0.28 0.80 0.39 3.26 5.19 -1.08 -1.27 116.42 123.42 2r6x h ASP 72 Ca 0.14 -0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 2r6x h ASP 72 Cb 0.50 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 2r6x h ASP 72 CO -0.43 0.68 -0.33 -0.07 -3.12 0.00 0.00 179.24 175.97 2r6x h LEU 73 N 0.88 0.00 -0.38 1.55 -0.00 -0.85 -1.40 115.31 115.12 2r6x h LEU 73 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 2r6x h LEU 73 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2r6x h LEU 73 CO -0.03 0.33 -0.01 0.00 -0.00 0.00 0.00 178.44 178.73 2r6x n ALA 74 N -2.44 2.65 -2.80 1.53 0.00 -0.53 -4.78 120.51 114.14 2r6x n ALA 74 Ca -0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2r6x n ALA 74 Cb 0.38 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.04 4.66 0.04 0.00 2.01 -0.53 -1.34 115.64 118.44 2r6x s THR 75 Ca 0.43 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2r6x s THR 75 Cb 0.21 -3.63 -0.18 0.00 0.01 0.00 0.00 72.50 68.92 2r6x s THR 75 CO 0.37 -0.28 1.42 -0.65 -0.69 0.00 0.00 174.62 174.79 2r6x h PRO 76 N 8.47 -0.81 0.00 4.92 0.11 -1.83 -3.48 132.00 139.38 2r6x h PRO 76 Ca -0.25 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2r6x h PRO 76 Cb 1.10 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2r6x h PRO 76 CO 0.69 -0.50 0.00 -2.13 -0.21 0.00 0.00 178.00 175.85 2r6x n ARG 81 N -5.40 0.00 -3.63 1.05 0.00 -1.26 -5.00 116.66 102.42 2r6x n ARG 81 Ca -0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.44 2r6x n ARG 81 Cb 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.66 2r6x n ARG 81 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2r6x s HIS 82 N 0.00 0.68 0.44 -0.14 4.02 -1.26 -5.15 115.29 113.88 2r6x s HIS 82 Ca 0.00 -0.89 0.07 0.00 1.02 0.00 0.00 55.06 55.25 2r6x s HIS 82 Cb 0.00 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.58 30.51 2r6x s HIS 82 CO 0.00 -0.72 0.21 -1.54 1.02 0.00 0.00 174.74 173.71 2r6x s SER 83 N 1.98 4.46 0.02 1.40 1.04 -1.26 -5.05 113.70 116.28 2r6x s SER 83 Ca 0.05 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.04 2r6x s SER 83 Cb -0.16 -0.26 -0.06 0.00 0.10 0.00 0.00 66.02 65.63 2r6x s SER 83 CO -0.23 -0.66 1.39 -0.36 0.98 0.00 0.00 173.24 174.37 2r6x s PHE 84 N -2.64 2.94 -0.11 5.02 0.08 -1.26 -4.94 117.98 117.07 2r6x s PHE 84 Ca 0.37 0.86 0.22 0.00 0.12 0.00 0.00 56.93 58.50 2r6x s PHE 84 Cb 0.02 -3.66 -0.22 0.00 -0.57 0.00 0.00 43.02 38.60 2r6x s PHE 84 CO 0.21 -2.39 0.66 0.36 -0.10 0.00 0.00 175.22 173.96 2r6x n LYS 85 N 5.08 0.64 -3.14 0.44 2.85 -1.26 -4.91 118.16 117.87 2r6x n LYS 85 Ca 0.13 -0.07 -0.40 0.00 -1.05 0.00 0.00 58.31 56.92 2r6x n LYS 85 Cb 0.44 -1.63 -0.07 0.00 -0.65 0.00 0.00 35.03 33.12 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 -3.39 3.28 -0.08 5.58 5.36 -1.26 -5.05 117.98 122.41 2r6x s PHE 86 Ca -0.05 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 56.71 2r6x s PHE 86 Cb 0.12 -2.81 -0.03 0.00 -0.34 0.00 0.00 43.02 39.96 2r6x s PHE 86 CO 0.86 -0.31 -0.11 0.15 -1.46 0.00 0.00 175.22 174.35 2r6x s LYS 87 N 2.45 2.82 0.07 10.12 3.01 -1.26 -4.81 119.74 132.14 2r6x s LYS 87 Ca 0.25 -0.64 0.22 0.00 -1.01 0.00 0.00 55.97 54.80 2r6x s LYS 87 Cb -0.16 -2.53 -0.11 0.00 -1.01 0.00 0.00 37.83 34.03 2r6x s LYS 87 CO 0.09 0.54 0.84 0.00 0.51 0.00 0.00 175.35 177.32 2r6x n GLN 88 N 2.59 0.50 0.35 1.68 -0.00 -1.26 -4.64 117.38 116.61 2r6x n GLN 88 Ca -0.18 -0.03 -0.19 0.00 -0.00 0.00 0.00 57.00 56.61 2r6x n GLN 88 Cb 0.53 -1.64 -0.10 0.00 -0.00 0.00 0.00 30.24 29.03 2r6x n GLN 88 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2r6x h GLU 89 N 0.00 -1.03 -0.21 2.61 4.39 -1.97 -1.82 114.58 116.55 2r6x h GLU 89 Ca 0.00 0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 2r6x h GLU 89 Cb 0.90 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2r6x h GLU 89 CO 0.00 -0.69 -0.05 -0.56 -1.16 0.00 0.00 179.01 176.55 2r6x h GLN 90 N -1.07 0.41 -0.88 2.33 -0.00 -2.00 -2.12 115.11 111.79 2r6x h GLN 90 Ca -0.08 -0.16 0.06 0.00 -0.00 0.00 0.00 58.65 58.47 2r6x h GLN 90 Cb 0.89 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.48 28.28 2r6x h GLN 90 CO 0.02 0.65 0.55 -1.35 -0.00 0.00 0.00 178.83 178.70 2r6x h PRO 91 N 0.13 0.98 -0.10 0.06 0.11 -1.82 -0.81 132.00 130.56 2r6x h PRO 91 Ca 0.05 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 2r6x h PRO 91 Cb 0.50 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.40 2r6x h PRO 91 CO 0.02 0.65 -0.84 1.15 -0.21 0.00 0.00 178.00 178.76 2r6x h THR 92 N 1.01 1.30 -0.74 -1.15 2.02 -1.34 -1.61 112.91 112.39 2r6x h THR 92 Ca 0.38 -2.09 0.04 0.00 0.77 0.00 0.00 66.41 65.51 2r6x h THR 92 Cb 0.15 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 2r6x h THR 92 CO -0.17 0.65 0.45 1.62 0.37 0.00 0.00 175.52 178.45 2r6x h VAL 93 N 0.45 1.05 -0.83 3.16 3.04 -1.25 -1.18 116.25 120.69 2r6x h VAL 93 Ca -0.07 -0.29 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 2r6x h VAL 93 Cb 1.47 0.12 -0.04 0.00 -2.01 0.00 0.00 31.29 30.83 2r6x h VAL 93 CO 0.17 0.16 0.44 -0.25 -1.01 0.00 0.00 177.57 177.07 2r6x h TRP 94 N 0.86 1.15 -0.44 3.17 7.01 -0.93 -1.51 115.95 125.27 2r6x h TRP 94 Ca 0.31 -0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.17 2r6x h TRP 94 Cb 0.09 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 2r6x h TRP 94 CO -0.05 0.81 -0.16 -0.07 -2.79 0.00 0.00 178.44 176.18 2r6x h LEU 95 N 1.17 0.85 -0.66 0.65 3.38 -0.81 -2.97 115.31 116.93 2r6x h LEU 95 Ca 0.29 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2r6x h LEU 95 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2r6x h LEU 95 CO -0.04 1.01 0.24 -0.33 0.09 0.00 0.00 178.44 179.41 2r6x h GLU 96 N 0.75 1.00 -0.64 1.13 5.08 -0.59 0.11 114.58 121.42 2r6x h GLU 96 Ca 0.11 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2r6x h GLU 96 Cb 0.68 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2r6x h GLU 96 CO 0.05 0.86 0.15 0.93 -1.00 0.00 0.00 179.01 180.00 2r6x h GLU 97 N 0.94 1.03 -0.26 2.33 3.07 -1.29 -0.12 114.58 120.28 2r6x h GLU 97 Ca 0.22 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 2r6x h GLU 97 Cb 0.25 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2r6x h GLU 97 CO -0.01 0.93 -0.03 0.87 -1.40 0.00 0.00 179.01 179.37 2r6x h LYS 98 N 0.95 0.47 -0.42 2.33 1.57 -1.36 -1.15 116.57 118.97 2r6x h LYS 98 Ca 0.20 -0.17 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 2r6x h LYS 98 Cb 0.37 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 2r6x h LYS 98 CO 0.00 0.67 -0.05 0.82 -0.57 0.00 0.00 179.45 180.33 2r6x h ILE 99 N 0.23 0.63 0.31 1.86 2.04 -0.53 0.23 117.51 122.28 2r6x h ILE 99 Ca 0.07 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2r6x h ILE 99 Cb 0.48 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2r6x h ILE 99 CO 0.02 0.01 -0.15 0.44 0.00 0.00 0.00 178.15 178.47 2r6x h ASP 100 N 0.06 -0.35 -0.36 1.72 3.32 -0.92 0.26 116.42 120.14 2r6x h ASP 100 Ca 0.20 -0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.21 2r6x h ASP 100 Cb 0.31 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 2r6x h ASP 100 CO -0.38 -0.09 -0.01 -1.13 -1.72 0.00 0.00 179.24 175.90 2r6x h ASN 101 N -0.60 -0.16 -0.47 6.45 -1.24 -1.10 0.77 115.58 119.22 2r6x h ASN 101 Ca -0.04 0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 2r6x h ASN 101 Cb 0.44 0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 2r6x h ASN 101 CO 0.07 -0.05 0.12 1.88 -1.29 0.00 0.00 177.43 178.16 2r6x h TYR 102 N 0.09 0.78 -0.99 0.67 0.05 -0.45 -2.16 116.97 114.95 2r6x h TYR 102 Ca 0.18 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.90 2r6x h TYR 102 Cb 0.25 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.71 2r6x h TYR 102 CO -0.26 0.71 0.65 1.15 -1.05 0.00 0.00 178.16 179.36 2r6x h THR 103 N 0.63 1.19 -0.16 -2.88 2.02 -0.14 -2.95 112.91 110.62 2r6x h THR 103 Ca 0.15 -0.44 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 2r6x h THR 103 Cb 0.32 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2r6x h THR 103 CO 0.00 0.23 -0.43 1.56 0.37 0.00 0.00 175.52 177.26 2r6x h GLN 104 N 1.28 0.37 0.00 6.66 7.50 -0.59 -3.28 115.11 127.05 2r6x h GLN 104 Ca 0.39 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 59.33 2r6x h GLN 104 Cb -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.50 2r6x h GLN 104 CO -0.12 0.73 -0.53 0.28 -1.50 0.00 0.00 178.83 177.70 2r6x h VAL 105 N 0.30 0.11 -3.41 -0.54 2.07 -1.27 -3.47 116.25 110.04 2r6x h VAL 105 Ca 0.02 -1.17 -0.49 0.00 0.82 0.00 0.00 66.70 65.88 2r6x h VAL 105 Cb 0.88 1.84 0.02 0.00 -1.52 0.00 0.00 31.29 32.51 2r6x h VAL 105 CO 0.07 0.06 0.02 0.68 0.02 0.00 0.00 177.57 178.43 2r6x s VAL 106 N -3.23 4.94 0.38 2.57 -7.23 -1.12 -5.03 120.40 111.67 2r6x s VAL 106 Ca 0.03 0.15 -0.28 0.00 -1.81 0.00 0.00 61.98 60.08 2r6x s VAL 106 Cb 0.07 -3.82 -0.11 0.00 0.56 0.00 0.00 36.38 33.09 2r6x s VAL 106 CO 0.73 -0.65 1.48 -2.84 -0.31 0.00 0.00 175.10 173.51 2r6x s PRO 107 N -4.29 4.11 -0.00 4.82 0.02 -1.26 -4.95 135.00 133.44 2r6x s PRO 107 Ca 0.46 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.73 2r6x s PRO 107 Cb -0.10 -2.96 -0.06 0.00 0.02 0.00 0.00 34.50 31.40 2r6x s PRO 107 CO 0.38 -0.52 1.42 0.00 -0.33 0.00 0.00 177.00 177.95 2r6x s ALA 108 N -1.12 3.59 0.10 -1.55 0.00 -1.26 -5.04 121.76 116.48 2r6x s ALA 108 Ca 0.53 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2r6x s ALA 108 Cb -0.46 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 2r6x s ALA 108 CO 0.63 -0.96 0.07 0.14 0.00 0.00 0.00 175.76 175.63 2r6x s VAL 109 N 2.52 4.35 0.00 0.00 -7.23 -1.26 -5.04 120.40 113.75 2r6x s VAL 109 Ca 0.65 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2r6x s VAL 109 Cb -0.32 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.50 2r6x s VAL 109 CO 0.27 0.06 0.00 2.29 -0.31 0.00 0.00 175.10 177.41 2r6x n LYS 110 N 0.29 0.00 -3.27 4.82 -0.00 -1.26 -5.05 118.16 113.69 2r6x n LYS 110 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.01 2r6x n LYS 110 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.58 2r6x n LYS 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2r6x n LYS 111 N 0.06 0.72 -2.16 -1.58 4.76 -1.26 -5.09 118.16 113.61 2r6x n LYS 111 Ca 0.00 -2.96 -0.41 0.00 -2.87 0.00 0.00 58.31 52.08 2r6x n LYS 111 Cb 0.00 0.13 -0.02 0.00 -1.84 0.00 0.00 35.03 33.29 2r6x n LYS 111 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2r6x s PHE 112 N -2.35 3.12 -0.16 2.13 0.08 -1.26 -4.89 117.98 114.66 2r6x s PHE 112 Ca 0.38 1.43 -0.20 0.00 0.12 0.00 0.00 56.93 58.66 2r6x s PHE 112 Cb -0.03 -3.63 -0.03 0.00 -0.57 0.00 0.00 43.02 38.75 2r6x s PHE 112 CO 0.24 -1.73 0.56 0.42 -0.10 0.00 0.00 175.22 174.61 2r6x s ILE 113 N -1.04 5.10 0.17 0.64 1.01 -1.26 -0.76 121.20 125.06 2r6x s ILE 113 Ca 0.49 1.07 -0.12 0.00 0.00 0.00 0.00 60.65 62.09 2r6x s ILE 113 Cb -0.39 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 2r6x s ILE 113 CO 0.50 0.21 0.53 -0.76 0.00 0.00 0.00 174.94 175.43 2r6x s LEU 114 N 1.32 4.28 0.09 2.97 1.43 -0.41 -4.92 118.68 123.44 2r6x s LEU 114 Ca 0.27 0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 54.06 2r6x s LEU 114 Cb -0.16 -3.38 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 2r6x s LEU 114 CO 0.11 0.05 1.45 -2.16 0.23 0.00 0.00 176.35 176.03 2r6x s PRO 115 N -2.25 4.28 0.00 1.29 0.04 -1.26 -4.28 135.00 132.81 2r6x s PRO 115 Ca 0.41 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2r6x s PRO 115 Cb -0.14 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2r6x s PRO 115 CO 0.20 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2r6x n GLY 116 N 3.64 -0.95 0.00 0.56 0.00 -1.26 -4.99 105.19 102.18 2r6x n GLY 116 Ca 0.13 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.15 0.33 3.66 -0.02 0.00 -1.26 -4.43 105.19 102.32 2r6x n GLY 117 Ca 0.00 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 2.43 0.16 2.61 -4.23 -1.26 -4.78 115.64 110.57 2r6x s THR 118 Ca 0.00 0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.49 2r6x s THR 118 Cb 0.00 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.46 2r6x s THR 118 CO 0.00 -0.18 1.74 -0.61 -0.54 0.00 0.00 174.62 175.03 2r6x h GLN 119 N -1.83 0.23 -0.32 3.99 4.15 -1.97 -1.71 115.11 117.64 2r6x h GLN 119 Ca -0.50 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 2r6x h GLN 119 Cb 1.29 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 2r6x h GLN 119 CO 0.50 0.15 0.16 1.25 -1.93 0.00 0.00 178.83 178.96 2r6x h LEU 120 N 0.24 0.42 -0.75 -2.39 5.85 -1.92 -1.54 115.31 115.22 2r6x h LEU 120 Ca 0.17 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.91 2r6x h LEU 120 Cb 0.18 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 2r6x h LEU 120 CO -0.21 0.43 0.32 0.00 -0.34 0.00 0.00 178.44 178.64 2r6x h ALA 121 N 1.01 1.06 -0.60 1.25 0.00 -1.78 -0.13 119.26 120.08 2r6x h ALA 121 Ca 0.11 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2r6x h ALA 121 Cb 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2r6x h ALA 121 CO -0.01 -0.18 0.23 0.77 0.00 0.00 0.00 179.25 180.06 2r6x h SER 122 N 0.48 0.83 -0.58 0.00 0.02 -0.96 -1.13 113.55 112.20 2r6x h SER 122 Ca 0.41 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2r6x h SER 122 Cb 0.59 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2r6x h SER 122 CO -0.38 0.78 0.10 0.00 -1.14 0.00 0.00 176.83 176.19 2r6x h ALA 123 N 1.08 0.77 -0.22 3.77 0.00 -0.71 -0.81 119.26 123.14 2r6x h ALA 123 Ca 0.20 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2r6x h ALA 123 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2r6x h ALA 123 CO -0.01 0.52 -0.21 -0.07 0.00 0.00 0.00 179.25 179.47 2r6x h LEU 124 N 0.86 0.39 -0.62 0.00 3.38 -0.77 0.40 115.31 118.95 2r6x h LEU 124 Ca 0.18 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2r6x h LEU 124 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2r6x h LEU 124 CO 0.01 0.61 -0.22 0.45 0.09 0.00 0.00 178.44 179.38 2r6x h HIS 125 N 0.36 0.97 -0.82 1.13 3.86 -0.98 -1.06 115.15 118.61 2r6x h HIS 125 Ca 0.06 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 2r6x h HIS 125 Cb 0.57 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 2r6x h HIS 125 CO 0.02 0.99 0.39 0.28 0.86 0.00 0.00 177.93 180.46 2r6x h VAL 126 N 0.74 1.25 -0.42 2.45 2.07 -0.49 -2.75 116.25 119.10 2r6x h VAL 126 Ca 0.10 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2r6x h VAL 126 Cb 0.75 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2r6x h VAL 126 CO 0.06 0.31 0.23 0.00 0.02 0.00 0.00 177.57 178.19 2r6x h ALA 127 N 1.25 1.61 -0.38 1.67 0.00 0.19 -1.68 119.26 121.92 2r6x h ALA 127 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2r6x h ALA 127 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2r6x h ALA 127 CO -0.03 0.33 0.15 -0.09 0.00 0.00 0.00 179.25 179.61 2r6x h ARG 128 N 0.59 0.57 -0.02 0.00 2.43 -0.91 -1.40 114.38 115.64 2r6x h ARG 128 Ca 0.15 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 2r6x h ARG 128 Cb 0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2r6x h ARG 128 CO -0.02 0.54 -0.80 1.79 -1.51 0.00 0.00 179.97 179.97 2r6x h THR 129 N 0.47 1.46 -0.38 0.20 1.35 -1.35 -1.92 112.91 112.75 2r6x h THR 129 Ca 0.13 -2.44 -0.14 0.00 -0.55 0.00 0.00 66.41 63.40 2r6x h THR 129 Cb 0.19 2.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 2r6x h THR 129 CO -0.01 0.71 -0.33 0.40 -0.25 0.00 0.00 175.52 176.04 2r6x h ILE 130 N 0.13 1.28 -0.64 6.82 2.04 -1.33 -0.73 117.51 125.08 2r6x h ILE 130 Ca -0.03 -1.50 0.05 0.00 1.00 0.00 0.00 64.86 64.37 2r6x h ILE 130 Cb 1.40 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 2r6x h ILE 130 CO 0.12 0.50 0.36 0.74 0.00 0.00 0.00 178.15 179.88 2r6x h THR 131 N 0.71 1.00 0.00 -0.27 2.02 -1.13 -0.45 112.91 114.80 2r6x h THR 131 Ca 0.07 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 2r6x h THR 131 Cb 0.90 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2r6x h THR 131 CO 0.08 0.13 -0.43 0.03 0.37 0.00 0.00 175.52 175.69 2r6x h ARG 132 N 0.69 0.00 -0.31 6.66 3.08 -1.12 0.41 114.38 123.80 2r6x h ARG 132 Ca 0.28 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 2r6x h ARG 132 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2r6x h ARG 132 CO -0.15 0.43 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.88 2r6x h ARG 133 N 0.00 0.69 -0.68 0.04 2.43 -0.72 -2.10 114.38 114.04 2r6x h ARG 133 Ca -0.00 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 2r6x h ARG 133 Cb 1.01 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 2r6x h ARG 133 CO 0.06 0.93 0.19 0.00 -1.51 0.00 0.00 179.97 179.63 2r6x h ALA 134 N 0.74 0.89 -0.58 2.80 0.00 -0.74 -2.88 119.26 119.49 2r6x h ALA 134 Ca 0.06 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.84 2r6x h ALA 134 Cb 0.76 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2r6x h ALA 134 CO 0.06 0.59 0.17 1.49 0.00 0.00 0.00 179.25 181.55 2r6x h GLU 135 N 1.00 0.31 -0.72 0.00 4.81 -0.87 0.22 114.58 119.32 2r6x h GLU 135 Ca 0.22 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2r6x h GLU 135 Cb 0.33 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2r6x h GLU 135 CO -0.00 0.20 0.48 0.00 -0.73 0.00 0.00 179.01 178.96 2r6x h ARG 136 N 0.32 0.94 0.00 1.92 3.08 -1.17 -0.86 114.38 118.60 2r6x h ARG 136 Ca 0.30 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.10 2r6x h ARG 136 Cb 0.40 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2r6x h ARG 136 CO -0.34 0.62 -0.91 0.37 -1.07 0.00 0.00 179.97 178.64 2r6x h GLN 137 N 0.96 0.01 -0.59 0.04 5.75 -1.07 -0.38 115.11 119.84 2r6x h GLN 137 Ca 0.27 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.68 2r6x h GLN 137 Cb -0.09 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 2r6x h GLN 137 CO -0.06 0.91 0.06 0.82 -2.65 0.00 0.00 178.83 177.92 2r6x h ILE 138 N 0.00 1.26 -0.63 2.39 2.04 -0.07 -2.26 117.51 120.24 2r6x h ILE 138 Ca -0.01 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 2r6x h ILE 138 Cb 1.61 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2r6x h ILE 138 CO 0.12 0.38 0.13 0.58 0.00 0.00 0.00 178.15 179.36 2r6x h VAL 139 N 0.89 1.26 -0.97 1.67 2.07 -1.04 -0.32 116.25 119.81 2r6x h VAL 139 Ca 0.18 -0.96 0.16 0.00 0.82 0.00 0.00 66.70 66.89 2r6x h VAL 139 Cb 0.47 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 2r6x h VAL 139 CO 0.02 0.36 0.61 -0.61 0.02 0.00 0.00 177.57 177.97 2r6x h GLN 140 N 0.94 0.77 -0.06 1.57 5.75 -0.91 -1.89 115.11 121.28 2r6x h GLN 140 Ca 0.20 -0.05 -0.19 0.00 -0.15 0.00 0.00 58.65 58.46 2r6x h GLN 140 Cb 0.39 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.77 2r6x h GLN 140 CO 0.01 0.51 -0.69 1.25 -2.65 0.00 0.00 178.83 177.25 2r6x h LEU 141 N 0.79 0.71 -1.17 -2.39 5.85 -1.02 -3.31 115.31 114.77 2r6x h LEU 141 Ca 0.51 -0.70 0.11 0.00 0.84 0.00 0.00 57.88 58.65 2r6x h LEU 141 Cb 0.75 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2r6x h LEU 141 CO -0.29 1.30 0.59 -0.03 -0.34 0.00 0.00 178.44 179.68 2r6x h MET 142 N 0.18 0.85 0.00 1.25 4.05 -0.50 -0.76 114.93 120.00 2r6x h MET 142 Ca -0.07 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2r6x h MET 142 Cb 1.36 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2r6x h MET 142 CO 0.14 0.56 0.00 0.54 0.23 0.00 0.00 176.91 178.38 2r6x n ARG 143 N -4.55 0.70 0.00 0.39 1.74 -0.77 -3.31 116.66 110.87 2r6x n ARG 143 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2r6x n ARG 143 Cb 0.35 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 2r6x n ARG 143 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2r6x n GLU 144 N -0.65 3.11 -3.92 5.56 1.02 -0.42 -5.10 120.64 120.25 2r6x n GLU 144 Ca 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 2r6x n GLU 144 Cb 0.02 -0.66 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.88 0.72 -0.11 3.49 0.41 -0.47 -5.12 118.70 116.73 2r6x s GLU 145 Ca 0.00 -0.92 -0.29 0.00 -0.41 0.00 0.00 54.97 53.34 2r6x s GLU 145 Cb 0.00 0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 32.60 2r6x s GLU 145 CO 0.00 -0.20 1.49 1.14 -0.49 0.00 0.00 175.26 177.20 2r6x s GLN 146 N -3.42 4.18 0.40 1.61 -2.07 -1.26 -4.37 119.66 114.73 2r6x s GLN 146 Ca 0.02 1.93 0.07 0.00 -1.82 0.00 0.00 55.36 55.56 2r6x s GLN 146 Cb 0.03 -3.90 -0.06 0.00 -1.09 0.00 0.00 33.01 28.00 2r6x s GLN 146 CO -0.08 -0.82 0.13 0.96 -1.32 0.00 0.00 175.29 174.16 2r6x s ILE 147 N 3.89 2.30 -0.55 3.63 -4.36 -1.26 -4.97 121.20 119.88 2r6x s ILE 147 Ca 0.65 -1.78 -0.28 0.00 -0.26 0.00 0.00 60.65 58.98 2r6x s ILE 147 Cb -0.28 -2.98 0.02 0.00 1.25 0.00 0.00 42.46 40.47 2r6x s ILE 147 CO 0.23 -0.02 1.34 0.21 0.24 0.00 0.00 174.94 176.94 2r6x s ASN 148 N -3.85 6.25 0.31 4.36 3.84 -1.26 -4.86 114.94 119.73 2r6x s ASN 148 Ca 0.39 0.28 0.25 0.00 0.21 0.00 0.00 52.86 54.00 2r6x s ASN 148 Cb 0.04 -2.55 1.07 0.00 -0.55 0.00 0.00 41.25 39.27 2r6x s ASN 148 CO 0.21 -1.61 1.75 1.56 -2.79 0.00 0.00 177.10 176.23 2r6x h GLN 149 N 10.54 0.00 0.00 0.43 1.08 -1.98 -1.95 115.11 123.23 2r6x h GLN 149 Ca -0.26 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.89 2r6x h GLN 149 Cb 1.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 2r6x h GLN 149 CO 1.17 0.00 -0.22 -0.44 -0.95 0.00 0.00 178.83 178.39 2r6x h ASP 150 N 0.00 0.00 -0.27 1.46 5.19 -1.89 -2.73 116.42 118.19 2r6x h ASP 150 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2r6x h ASP 150 Cb 0.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2r6x h ASP 150 CO 0.00 0.22 -0.06 0.58 -3.12 0.00 0.00 179.24 176.86 2r6x h VAL 151 N 0.00 1.28 -0.72 -1.35 2.07 -1.66 -2.77 116.25 113.10 2r6x h VAL 151 Ca -0.00 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 2r6x h VAL 151 Cb 0.39 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2r6x h VAL 151 CO 0.03 0.34 0.22 0.25 0.02 0.00 0.00 177.57 178.42 2r6x h LEU 152 N 0.26 1.04 0.35 2.57 5.85 -1.65 -1.37 115.31 122.36 2r6x h LEU 152 Ca 0.07 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2r6x h LEU 152 Cb 0.53 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2r6x h LEU 152 CO 0.03 0.97 -0.25 0.40 -0.34 0.00 0.00 178.44 179.25 2r6x h ILE 153 N 1.07 0.48 -0.13 4.05 2.04 -1.46 -0.67 117.51 122.88 2r6x h ILE 153 Ca 0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.12 2r6x h ILE 153 Cb 0.31 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2r6x h ILE 153 CO -0.01 0.00 -0.05 0.15 0.00 0.00 0.00 178.15 178.24 2r6x h PHE 154 N -0.59 -0.11 -0.14 1.37 3.57 -1.37 -1.55 116.94 118.11 2r6x h PHE 154 Ca -0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2r6x h PHE 154 Cb 0.50 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2r6x h PHE 154 CO -0.12 -0.08 -0.04 0.82 -2.23 0.00 0.00 178.31 176.67 2r6x h ILE 155 N -0.03 1.12 -0.02 1.41 1.08 -1.21 0.51 117.51 120.36 2r6x h ILE 155 Ca 0.07 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2r6x h ILE 155 Cb 0.13 1.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2r6x h ILE 155 CO -0.15 0.15 -0.00 -1.13 -0.69 0.00 0.00 178.15 176.33 2r6x h ASN 156 N 0.20 0.05 0.44 1.72 -1.24 -0.65 -3.06 115.58 113.04 2r6x h ASN 156 Ca 0.05 -0.35 -0.04 0.00 0.71 0.00 0.00 56.30 56.67 2r6x h ASN 156 Cb 0.20 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 2r6x h ASN 156 CO 0.01 0.38 -0.20 -0.09 -1.29 0.00 0.00 177.43 176.24 2r6x h ARG 157 N -0.29 0.00 -0.76 6.67 9.65 -0.48 -3.21 114.38 125.96 2r6x h ARG 157 Ca 0.01 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 2r6x h ARG 157 Cb 0.36 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 2r6x h ARG 157 CO 0.00 0.20 0.33 1.25 2.80 0.00 0.00 179.97 184.55 2r6x h LEU 158 N 0.00 1.01 -0.58 3.80 5.85 0.10 -0.09 115.31 125.40 2r6x h LEU 158 Ca -0.00 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 2r6x h LEU 158 Cb 0.47 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2r6x h LEU 158 CO 0.03 0.88 -0.50 0.77 -0.34 0.00 0.00 178.44 179.27 2r6x h SER 159 N 1.09 0.60 -0.88 1.25 4.64 -1.58 -1.18 113.55 117.49 2r6x h SER 159 Ca 0.26 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2r6x h SER 159 Cb 0.16 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 2r6x h SER 159 CO -0.03 0.99 0.47 0.44 -0.87 0.00 0.00 176.83 177.84 2r6x h ASP 160 N 0.43 1.10 -0.42 4.97 3.32 -1.60 -1.44 116.42 122.78 2r6x h ASP 160 Ca 0.02 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.04 2r6x h ASP 160 Cb 1.02 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 2r6x h ASP 160 CO 0.09 0.89 0.06 0.22 -1.72 0.00 0.00 179.24 178.78 2r6x h TYR 161 N 1.23 0.08 -0.21 4.55 3.20 -0.46 -1.68 116.97 123.68 2r6x h TYR 161 Ca 0.31 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.11 2r6x h TYR 161 Cb 0.04 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2r6x h TYR 161 CO 0.01 -0.02 -0.28 0.74 -1.64 0.00 0.00 178.16 176.96 2r6x h PHE 162 N 0.18 0.45 0.36 -3.82 0.04 -0.79 0.25 116.94 113.61 2r6x h PHE 162 Ca 0.21 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2r6x h PHE 162 Cb 0.27 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2r6x h PHE 162 CO -0.23 0.65 -0.17 0.35 -0.60 0.00 0.00 178.31 178.31 2r6x h PHE 163 N 0.35 -0.45 -0.42 -0.55 3.57 -1.11 0.16 116.94 118.49 2r6x h PHE 163 Ca 0.05 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2r6x h PHE 163 Cb 0.68 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 2r6x h PHE 163 CO 0.02 -0.19 -0.02 0.00 -2.23 0.00 0.00 178.31 175.88 2r6x h ALA 164 N -0.04 0.37 -0.42 2.41 0.00 -0.98 -2.45 119.26 118.15 2r6x h ALA 164 Ca -0.05 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2r6x h ALA 164 Cb 0.46 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2r6x h ALA 164 CO 0.08 -0.40 -0.08 0.00 0.00 0.00 0.00 179.25 178.85 2r6x h ALA 165 N 1.38 1.09 -0.33 0.00 0.00 -0.40 -1.85 119.26 119.15 2r6x h ALA 165 Ca 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2r6x h ALA 165 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2r6x h ALA 165 CO -0.36 0.57 0.14 0.00 0.00 0.00 0.00 179.25 179.60 2r6x h ALA 166 N 1.25 0.43 -0.64 0.00 0.00 -0.63 0.53 119.26 120.20 2r6x h ALA 166 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2r6x h ALA 166 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2r6x h ALA 166 CO 0.03 0.01 0.22 0.00 0.00 0.00 0.00 179.25 179.51 2r6x h ARG 167 N 0.39 0.98 -0.58 0.00 3.08 -1.33 -1.86 114.38 115.07 2r6x h ARG 167 Ca 0.11 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2r6x h ARG 167 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2r6x h ARG 167 CO -0.01 0.85 0.28 -0.92 -1.07 0.00 0.00 179.97 179.11 2r6x h TYR 168 N 0.92 0.82 -0.18 3.04 3.20 -0.94 -0.89 116.97 122.94 2r6x h TYR 168 Ca 0.21 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2r6x h TYR 168 Cb 0.27 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2r6x h TYR 168 CO 0.02 0.63 0.07 0.00 -1.64 0.00 0.00 178.16 177.24 2r6x h ALA 169 N 1.12 1.79 -0.21 1.82 0.00 0.35 0.74 119.26 124.87 2r6x h ALA 169 Ca 0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2r6x h ALA 169 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2r6x h ALA 169 CO -0.03 0.17 -0.25 -0.91 0.00 0.00 0.00 179.25 178.23 2r6x h ASN 170 N 0.25 0.58 -0.69 0.00 2.35 -0.79 -3.20 115.58 114.08 2r6x h ASN 170 Ca 0.06 -0.50 0.03 0.00 -0.55 0.00 0.00 56.30 55.35 2r6x h ASN 170 Cb 0.05 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2r6x h ASN 170 CO -0.01 0.96 0.43 0.22 -1.65 0.00 0.00 177.43 177.38 2r6x h TYR 171 N 0.22 0.80 -0.53 1.19 3.20 -0.60 0.21 116.97 121.45 2r6x h TYR 171 Ca 0.03 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.07 2r6x h TYR 171 Cb 0.82 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2r6x h TYR 171 CO 0.08 0.45 0.41 -0.07 -1.64 0.00 0.00 178.16 177.39 2r6x h LEU 172 N 0.83 0.00 -3.22 2.82 3.38 -0.87 -1.56 115.31 116.69 2r6x h LEU 172 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2r6x h LEU 172 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2r6x h LEU 172 CO -0.12 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.79 2r6x n GLU 173 N -4.21 2.74 -3.91 1.13 1.02 -1.04 -4.92 120.64 111.45 2r6x n GLU 173 Ca 0.10 -2.80 -0.28 0.00 -0.02 0.00 0.00 57.16 54.16 2r6x n GLU 173 Cb 0.63 -1.80 0.01 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 -0.60 -4.72 -3.70 3.49 3.00 -0.59 -4.98 117.38 109.28 2r6x n GLN 174 Ca 0.20 0.54 -0.37 0.00 -0.01 0.00 0.00 57.00 57.37 2r6x n GLN 174 Cb 0.85 -5.21 -0.12 0.00 0.00 0.00 0.00 30.24 25.76 2r6x n GLN 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2r6x s GLN 175 N -6.48 3.53 0.38 -1.09 2.00 0.69 -5.01 119.66 113.67 2r6x s GLN 175 Ca 0.40 -0.57 -0.27 0.00 -2.00 0.00 0.00 55.36 52.92 2r6x s GLN 175 Cb -0.20 -3.44 -0.09 0.00 0.80 0.00 0.00 33.01 30.07 2r6x s GLN 175 CO 0.85 -0.29 1.26 -1.25 -0.50 0.00 0.00 175.29 175.36 2r6x s PRO 176 N 1.62 4.14 0.28 1.67 0.04 -1.26 -3.99 135.00 137.50 2r6x s PRO 176 Ca 0.06 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2r6x s PRO 176 Cb -0.16 -2.85 -0.13 0.00 0.04 0.00 0.00 34.50 31.40 2r6x s PRO 176 CO 0.05 -0.32 1.37 -0.25 0.04 0.00 0.00 177.00 177.88 2r6x n ASP 177 N 0.37 2.77 -4.73 6.66 8.00 -1.26 -4.90 116.55 123.46 2r6x n ASP 177 Ca 0.02 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.27 2r6x n ASP 177 Cb 0.44 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 2r6x n ASP 177 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2r6x s MET 178 N -0.92 4.22 0.18 -1.24 -1.94 -1.26 -4.98 119.30 113.35 2r6x s MET 178 Ca 0.64 2.38 0.11 0.00 -1.71 0.00 0.00 55.69 57.11 2r6x s MET 178 Cb -0.62 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 2r6x s MET 178 CO 0.54 -0.55 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.28 2r6x s LEU 179 N 0.32 2.53 -0.28 -0.03 1.43 -1.26 -1.29 118.68 120.10 2r6x s LEU 179 Ca 0.65 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 2r6x s LEU 179 Cb -0.44 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2r6x s LEU 179 CO 0.38 0.13 1.42 -0.47 0.23 0.00 0.00 176.35 178.04 2r6x s TYR 180 N -1.55 2.47 -2.29 0.29 5.04 0.06 -4.81 117.35 116.56 2r6x s TYR 180 Ca 0.20 0.75 0.30 0.00 -2.44 0.00 0.00 57.07 55.88 2r6x s TYR 180 Cb -0.09 -3.96 1.42 0.00 0.35 0.00 0.00 41.96 39.68 2r6x s TYR 180 CO 0.10 -2.14 1.95 2.89 -1.34 0.00 0.00 175.55 177.01