#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6t s TYR 4 N 0.00 3.13 -0.11 4.28 -0.85 -1.26 -4.92 117.35 117.62 2r6t s TYR 4 Ca 0.00 0.40 -0.03 0.00 -0.52 0.00 0.00 57.07 56.92 2r6t s TYR 4 Cb 0.00 -3.25 -0.25 0.00 0.38 0.00 0.00 41.96 38.84 2r6t s TYR 4 CO 0.00 -0.68 0.39 0.25 -1.52 0.00 0.00 175.55 173.99 2r6t n THR 5 N 5.68 1.74 -0.34 -3.49 -2.24 -1.26 -5.00 114.28 109.37 2r6t n THR 5 Ca 0.00 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2r6t n THR 5 Cb 0.48 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 2r6t n THR 5 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2r6t n LYS 6 N -3.40 0.00 0.26 -0.78 5.02 -1.26 -4.95 118.16 113.05 2r6t n LYS 6 Ca -0.30 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.17 2r6t n LYS 6 Cb 1.05 -0.99 0.88 0.00 -0.02 0.00 0.00 35.03 35.95 2r6t n LYS 6 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2r6t h ASN 7 N 0.00 0.00 -0.01 4.39 2.35 -1.94 -2.59 115.58 117.77 2r6t h ASN 7 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2r6t h ASN 7 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2r6t h ASN 7 CO 0.00 0.00 -0.57 0.61 -1.65 0.00 0.00 177.43 175.82 2r6t n GLY 8 N -0.84 -0.16 0.38 2.83 0.00 -1.26 -4.52 105.19 101.61 2r6t n GLY 8 Ca -0.01 -0.63 0.19 0.00 0.00 0.00 0.00 46.02 45.57 2r6t n GLY 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2r6t h ASP 9 N 1.93 0.10 -0.43 1.61 5.19 -1.75 0.83 116.42 123.91 2r6t h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2r6t h ASP 9 Cb 0.70 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.19 2r6t h ASP 9 CO 0.00 0.05 0.00 0.29 -3.12 0.00 0.00 179.24 176.46 2r6t n LYS 10 N -4.41 2.90 -0.81 3.56 4.01 -1.26 -4.93 118.16 117.22 2r6t n LYS 10 Ca 0.10 -1.92 0.00 0.00 -0.51 0.00 0.00 58.31 55.98 2r6t n LYS 10 Cb 0.57 -1.71 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 2r6t n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2r6t n GLY 11 N 0.81 0.51 3.70 0.72 0.00 0.28 -5.06 105.19 106.15 2r6t n GLY 11 Ca 0.17 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2r6t n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r6t s GLN 12 N -1.46 2.10 -0.01 1.61 -0.21 -1.25 -2.09 119.66 118.35 2r6t s GLN 12 Ca 0.00 -2.07 -0.29 0.00 0.02 0.00 0.00 55.36 53.01 2r6t s GLN 12 Cb 0.00 -1.76 0.10 0.00 1.00 0.00 0.00 33.01 32.36 2r6t s GLN 12 CO 0.00 -0.16 0.94 -0.08 -2.12 0.00 0.00 175.29 173.87 2r6t s THR 13 N -2.71 0.00 0.45 -0.19 -1.32 -0.53 -4.10 115.64 107.24 2r6t s THR 13 Ca 0.31 -0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.70 2r6t s THR 13 Cb 0.06 -1.12 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 2r6t s THR 13 CO 0.17 0.00 0.71 -0.13 -2.21 0.00 0.00 174.62 173.16 2r6t s ARG 14 N -3.04 3.34 0.00 7.08 0.52 -1.26 -0.89 118.95 124.69 2r6t s ARG 14 Ca 0.06 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 2r6t s ARG 14 Cb -0.01 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.98 2r6t s ARG 14 CO -0.07 -0.19 0.00 0.44 0.02 0.00 0.00 175.30 175.50 2r6t n ILE 15 N -2.13 0.00 -2.42 1.52 -5.35 -1.26 -4.90 119.36 104.82 2r6t n ILE 15 Ca -0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 2r6t n ILE 15 Cb 0.56 -0.33 -0.02 0.00 -1.74 0.00 0.00 39.64 38.11 2r6t n ILE 15 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2r6t s ILE 16 N 1.10 4.13 0.00 7.28 -1.09 -0.63 -3.51 121.20 128.48 2r6t s ILE 16 Ca 0.00 1.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 2r6t s ILE 16 Cb 0.00 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 2r6t s ILE 16 CO 0.00 -0.51 0.00 0.61 -1.23 0.00 0.00 174.94 173.81 2r6t n GLY 17 N 4.38 1.63 2.66 6.18 0.00 -1.26 -4.46 105.19 114.32 2r6t n GLY 17 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 2r6t n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2r6t n LYS 18 N -0.25 -2.81 -3.37 1.61 0.00 -1.23 -5.14 118.16 106.97 2r6t n LYS 18 Ca 0.00 2.36 0.02 0.00 0.00 0.00 0.00 58.31 60.69 2r6t n LYS 18 Cb 0.00 -5.14 -0.03 0.00 0.00 0.00 0.00 35.03 29.85 2r6t n LYS 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2r6t s ILE 20 N -1.88 -0.58 0.23 3.15 -1.09 -1.26 -4.67 121.20 115.10 2r6t s ILE 20 Ca 0.09 0.00 0.08 0.00 -2.23 0.00 0.00 60.65 58.59 2r6t s ILE 20 Cb -0.03 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.80 2r6t s ILE 20 CO 0.71 0.00 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.54 2r6t s LEU 21 N 2.61 2.53 0.40 2.97 1.43 -0.07 -4.96 118.68 123.59 2r6t s LEU 21 Ca -0.01 -1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 51.80 2r6t s LEU 21 Cb -0.08 -0.68 -0.10 0.00 0.03 0.00 0.00 46.19 45.35 2r6t s LEU 21 CO -0.17 -0.21 0.96 -0.31 0.23 0.00 0.00 176.35 176.85 2r6t s TYR 22 N -2.96 3.40 0.49 0.29 2.02 -1.26 -1.45 117.35 117.88 2r6t s TYR 22 Ca 0.25 1.66 0.36 0.00 -0.37 0.00 0.00 57.07 58.98 2r6t s TYR 22 Cb 0.00 -2.90 1.92 0.00 -0.40 0.00 0.00 41.96 40.58 2r6t s TYR 22 CO 0.09 -0.10 2.22 0.87 -1.57 0.00 0.00 175.55 177.06 2r6t h LYS 23 N 2.31 0.00 -0.00 -0.62 1.57 -1.74 -0.81 116.57 117.26 2r6t h LYS 23 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2r6t h LYS 23 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2r6t h LYS 23 CO 0.62 0.03 -0.09 0.27 -0.57 0.00 0.00 179.45 179.71 2r6t n ASN 24 N -3.33 0.45 -4.50 0.86 6.94 -1.26 -4.37 115.26 110.04 2r6t n ASN 24 Ca -0.02 -0.61 -0.46 0.00 -0.02 0.00 0.00 54.58 53.47 2r6t n ASN 24 Cb 0.15 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.47 2r6t n ASN 24 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2r6t n ASP 25 N -0.93 0.11 -0.34 0.53 -0.08 -0.31 -4.78 116.55 110.75 2r6t n ASP 25 Ca 0.15 1.16 0.15 0.00 -1.51 0.00 0.00 54.79 54.74 2r6t n ASP 25 Cb 0.27 -1.13 0.35 0.00 2.34 0.00 0.00 41.12 42.94 2r6t n ASP 25 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2r6t h PRO 26 N 1.55 0.58 0.58 -0.67 0.11 -1.91 -1.75 132.00 130.49 2r6t h PRO 26 Ca -0.34 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 2r6t h PRO 26 Cb 1.39 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.37 2r6t h PRO 26 CO 0.59 0.38 -0.28 -0.09 -0.21 0.00 0.00 178.00 178.40 2r6t h ARG 27 N 0.60 -0.75 -0.84 1.05 2.43 -1.92 -0.45 114.38 114.50 2r6t h ARG 27 Ca 0.61 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 60.04 2r6t h ARG 27 Cb 1.09 0.17 -0.14 0.00 -0.42 0.00 0.00 29.97 30.67 2r6t h ARG 27 CO -0.46 -0.44 0.17 0.28 -1.51 0.00 0.00 179.97 178.01 2r6t h VAL 28 N -1.09 0.33 -0.49 0.20 2.07 -1.82 0.13 116.25 115.58 2r6t h VAL 28 Ca -0.08 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2r6t h VAL 28 Cb 0.65 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2r6t h VAL 28 CO 0.13 0.03 0.17 0.00 0.02 0.00 0.00 177.57 177.92 2r6t h ALA 29 N 1.75 0.65 -0.31 1.67 0.00 -1.21 0.28 119.26 122.08 2r6t h ALA 29 Ca 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2r6t h ALA 29 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2r6t h ALA 29 CO -0.65 0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.06 2r6t h ALA 30 N 1.02 0.40 -0.63 0.00 0.00 0.27 0.24 119.26 120.57 2r6t h ALA 30 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2r6t h ALA 30 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2r6t h ALA 30 CO -0.01 -0.08 0.19 -0.92 0.00 0.00 0.00 179.25 178.44 2r6t h TYR 31 N 0.38 1.02 -0.22 0.00 3.20 -0.63 -2.41 116.97 118.31 2r6t h TYR 31 Ca 0.11 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 2r6t h TYR 31 Cb 0.06 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 2r6t h TYR 31 CO -0.03 0.84 -0.41 0.78 -1.64 0.00 0.00 178.16 177.69 2r6t h GLY 32 N 0.90 0.57 1.05 1.82 0.00 -0.30 -2.50 103.07 104.61 2r6t h GLY 32 Ca 0.20 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2r6t h GLY 32 CO -0.01 0.52 0.33 -2.09 0.00 0.00 0.00 176.54 175.29 2r6t h GLU 33 N 0.43 1.19 -0.38 4.80 4.57 -0.41 0.08 114.58 124.87 2r6t h GLU 33 Ca 0.04 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 2r6t h GLU 33 Cb 0.91 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 2r6t h GLU 33 CO 0.08 0.96 0.12 0.28 -1.18 0.00 0.00 179.01 179.27 2r6t h VAL 34 N 1.16 1.21 -0.90 0.32 2.07 -1.36 -1.14 116.25 117.61 2r6t h VAL 34 Ca 0.27 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2r6t h VAL 34 Cb 0.21 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2r6t h VAL 34 CO -0.02 0.24 0.60 -0.78 0.02 0.00 0.00 177.57 177.62 2r6t h ASP 35 N 0.47 1.01 -0.91 0.57 3.58 -1.37 0.34 116.42 120.10 2r6t h ASP 35 Ca 0.12 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2r6t h ASP 35 Cb 0.25 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2r6t h ASP 35 CO -0.00 0.71 0.53 -0.08 -2.88 0.00 0.00 179.24 177.52 2r6t h GLU 36 N 1.18 1.25 -0.02 0.28 4.81 -0.68 -2.17 114.58 119.23 2r6t h GLU 36 Ca 0.35 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2r6t h GLU 36 Cb -0.06 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.06 2r6t h GLU 36 CO -0.09 0.89 0.00 1.25 -0.73 0.00 0.00 179.01 180.33 2r6t h LEU 37 N 1.26 0.02 -0.45 1.64 5.85 -0.44 -2.05 115.31 121.14 2r6t h LEU 37 Ca 0.32 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2r6t h LEU 37 Cb -0.03 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 2r6t h LEU 37 CO -0.06 0.23 -0.16 -1.13 -0.34 0.00 0.00 178.44 176.98 2r6t h ASN 38 N -0.18 -0.56 -0.98 1.25 -0.00 -0.95 -0.33 115.58 113.83 2r6t h ASN 38 Ca 0.01 0.15 0.15 0.00 -0.00 0.00 0.00 56.30 56.60 2r6t h ASN 38 Cb 0.21 0.33 -0.09 0.00 -0.00 0.00 0.00 38.32 38.78 2r6t h ASN 38 CO -0.00 -0.19 0.61 0.28 -0.00 0.00 0.00 177.43 178.13 2r6t h SER 39 N -0.06 0.81 0.23 1.15 0.02 -1.36 -1.23 113.55 113.12 2r6t h SER 39 Ca 0.22 0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 61.03 2r6t h SER 39 Cb 0.39 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2r6t h SER 39 CO -0.49 0.39 -0.75 -0.25 -1.14 0.00 0.00 176.83 174.59 2r6t h TRP 40 N 0.85 0.59 -0.47 3.45 2.91 -0.42 -1.14 115.95 121.72 2r6t h TRP 40 Ca 0.51 -0.27 -0.03 0.00 1.13 0.00 0.00 58.89 60.23 2r6t h TRP 40 Cb 0.67 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 2r6t h TRP 40 CO -0.00 1.03 0.18 0.28 -1.03 0.00 0.00 178.44 178.90 2r6t h VAL 41 N 0.29 1.21 -0.31 2.65 2.07 -0.81 0.69 116.25 122.04 2r6t h VAL 41 Ca -0.04 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2r6t h VAL 41 Cb 1.33 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 2r6t h VAL 41 CO 0.13 0.25 0.02 1.23 0.02 0.00 0.00 177.57 179.22 2r6t h GLY 42 N 0.62 0.32 0.94 2.17 0.00 -1.19 0.47 103.07 106.41 2r6t h GLY 42 Ca 0.16 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.52 2r6t h GLY 42 CO -0.01 -0.05 0.53 -1.82 0.00 0.00 0.00 176.54 175.19 2r6t h TYR 43 N 0.12 1.00 -0.71 5.60 3.20 -0.46 -1.86 116.97 123.86 2r6t h TYR 43 Ca 0.15 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2r6t h TYR 43 Cb 0.19 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 2r6t h TYR 43 CO -0.21 0.60 0.19 1.15 -1.64 0.00 0.00 178.16 178.25 2r6t h THR 44 N 1.06 1.26 -0.07 1.81 2.02 0.94 -2.89 112.91 117.04 2r6t h THR 44 Ca 0.31 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 2r6t h THR 44 Cb -0.06 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2r6t h THR 44 CO -0.09 0.36 -0.18 0.50 0.37 0.00 0.00 175.52 176.48 2r6t h LYS 45 N 1.06 0.11 0.00 6.66 3.64 0.61 -2.56 116.57 126.09 2r6t h LYS 45 Ca 0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2r6t h LYS 45 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2r6t h LYS 45 CO -0.00 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 2r6t h SER 46 N 0.10 0.00 0.46 4.20 4.64 -1.14 -2.97 113.55 118.85 2r6t h SER 46 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2r6t h SER 46 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2r6t h SER 46 CO 0.03 0.00 -0.27 0.18 -0.87 0.00 0.00 176.83 175.89 2r6t n LEU 47 N -2.36 0.57 -4.75 5.97 4.77 -0.96 -4.94 117.00 115.30 2r6t n LEU 47 Ca 0.02 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2r6t n LEU 47 Cb 0.23 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2r6t n LEU 47 CO 0.20 0.12 1.16 -0.38 -1.33 0.00 0.00 177.39 177.17 2r6t n ILE 48 N -1.13 1.55 -4.16 -0.08 5.41 -1.12 -4.83 119.36 115.00 2r6t n ILE 48 Ca 0.10 -0.39 -0.07 0.00 1.00 0.00 0.00 62.75 63.39 2r6t n ILE 48 Cb 0.32 -1.93 -0.02 0.00 -0.71 0.00 0.00 39.64 37.31 2r6t n ILE 48 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2r6t n ASN 49 N 1.25 2.02 0.22 4.38 0.23 -1.26 -4.97 115.26 117.12 2r6t n ASN 49 Ca 0.05 -1.50 0.06 0.00 -0.53 0.00 0.00 54.58 52.66 2r6t n ASN 49 Cb 0.38 0.11 0.51 0.00 -2.08 0.00 0.00 39.78 38.70 2r6t n ASN 49 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2r6t h SER 50 N 0.29 0.00 0.43 0.53 4.64 -2.00 -1.59 113.55 115.86 2r6t h SER 50 Ca -0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 2r6t h SER 50 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2r6t h SER 50 CO 0.15 0.20 -0.32 0.45 -0.87 0.00 0.00 176.83 176.43 2r6t h HIS 51 N 0.00 0.00 -0.09 4.77 3.86 -1.97 -3.31 115.15 118.41 2r6t h HIS 51 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2r6t h HIS 51 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2r6t h HIS 51 CO 0.00 0.32 0.00 0.25 0.86 0.00 0.00 177.93 179.36 2r6t n THR 52 N -3.94 1.33 -0.21 2.45 -2.24 -0.69 -4.60 114.28 106.38 2r6t n THR 52 Ca -0.02 -1.38 0.06 0.00 -2.27 0.00 0.00 64.05 60.44 2r6t n THR 52 Cb 0.39 0.26 0.33 0.00 -2.10 0.00 0.00 70.33 69.20 2r6t n THR 52 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2r6t h GLN 53 N 0.54 0.80 0.00 -0.78 5.75 -1.42 -1.05 115.11 118.94 2r6t h GLN 53 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2r6t h GLN 53 Cb 0.75 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.12 2r6t h GLN 53 CO 0.02 0.53 0.45 -0.39 -2.65 0.00 0.00 178.83 176.79 2r6t h VAL 54 N 0.82 0.00 0.00 2.39 -1.51 -1.87 -0.51 116.25 115.57 2r6t h VAL 54 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 2r6t h VAL 54 Cb 0.22 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 2r6t h VAL 54 CO -0.11 0.00 -0.92 0.18 -1.23 0.00 0.00 177.57 175.49 2r6t n LEU 55 N -2.60 0.64 0.03 4.19 4.77 -0.40 -4.49 117.00 119.14 2r6t n LEU 55 Ca -0.01 -0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 2r6t n LEU 55 Cb 0.48 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2r6t n LEU 55 CO 0.09 0.08 0.79 -1.28 -1.33 0.00 0.00 177.39 175.75 2r6t h SER 56 N 0.00 -0.31 -0.57 -1.43 0.87 -1.21 -2.92 113.55 107.98 2r6t h SER 56 Ca 0.00 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2r6t h SER 56 Cb 0.66 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 2r6t h SER 56 CO 0.00 -0.15 0.24 -1.13 -0.53 0.00 0.00 176.83 175.26 2r6t h ASN 57 N -0.16 0.77 0.47 6.23 -1.24 -1.79 -2.27 115.58 117.59 2r6t h ASN 57 Ca 0.05 -0.16 -0.09 0.00 0.71 0.00 0.00 56.30 56.81 2r6t h ASN 57 Cb 0.23 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2r6t h ASN 57 CO -0.14 0.72 -0.44 1.05 -1.29 0.00 0.00 177.43 177.33 2r6t h GLU 58 N 0.78 0.00 -0.23 6.67 4.11 -1.82 -1.72 114.58 122.36 2r6t h GLU 58 Ca 0.19 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.47 2r6t h GLU 58 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2r6t h GLU 58 CO -0.02 0.44 -0.47 -0.07 0.07 0.00 0.00 179.01 178.97 2r6t h LEU 59 N 0.00 0.65 -0.18 3.06 3.38 -1.27 -0.67 115.31 120.28 2r6t h LEU 59 Ca -0.00 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2r6t h LEU 59 Cb 0.80 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2r6t h LEU 59 CO 0.06 1.02 0.09 -0.08 0.09 0.00 0.00 178.44 179.62 2r6t h GLU 60 N 0.48 0.19 -0.11 1.13 4.22 -1.22 -1.24 114.58 118.03 2r6t h GLU 60 Ca 0.03 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.48 2r6t h GLU 60 Cb 1.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2r6t h GLU 60 CO 0.09 0.13 -0.05 1.49 -2.18 0.00 0.00 179.01 178.49 2r6t h GLU 61 N 0.20 -0.04 -0.75 1.92 4.57 -1.17 -2.04 114.58 117.26 2r6t h GLU 61 Ca 0.07 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.41 2r6t h GLU 61 Cb 0.01 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.51 2r6t h GLU 61 CO -0.05 -0.03 0.25 0.82 -1.18 0.00 0.00 179.01 178.83 2r6t h ILE 62 N -0.04 0.59 -0.62 2.32 2.04 -0.91 0.94 117.51 121.84 2r6t h ILE 62 Ca 0.06 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.88 2r6t h ILE 62 Cb 0.14 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 2r6t h ILE 62 CO -0.14 0.07 0.28 1.56 0.00 0.00 0.00 178.15 179.92 2r6t h GLN 63 N 0.36 0.49 -0.21 2.37 4.20 -0.78 0.36 115.11 121.90 2r6t h GLN 63 Ca 0.42 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2r6t h GLN 63 Cb 0.68 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2r6t h GLN 63 CO -0.45 0.33 0.14 1.96 -0.67 0.00 0.00 178.83 180.13 2r6t h GLN 64 N 0.51 0.28 -0.67 1.46 1.08 -0.21 -1.95 115.11 115.62 2r6t h GLN 64 Ca 0.30 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 2r6t h GLN 64 Cb 0.30 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 2r6t h GLN 64 CO -0.25 0.18 0.30 -0.07 -0.95 0.00 0.00 178.83 178.04 2r6t h LEU 65 N 0.28 0.89 -1.60 1.46 3.38 -0.40 -2.33 115.31 117.00 2r6t h LEU 65 Ca 0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2r6t h LEU 65 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2r6t h LEU 65 CO -0.02 0.79 0.24 -0.07 0.09 0.00 0.00 178.44 179.47 2r6t h LEU 66 N 0.93 0.44 -0.41 1.67 3.38 -0.17 -0.76 115.31 120.40 2r6t h LEU 66 Ca 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2r6t h LEU 66 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2r6t h LEU 66 CO -0.02 0.33 0.20 0.15 0.09 0.00 0.00 178.44 179.18 2r6t h PHE 67 N 0.51 0.58 -0.15 1.13 3.57 -0.82 0.13 116.94 121.90 2r6t h PHE 67 Ca 0.14 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2r6t h PHE 67 Cb -0.04 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2r6t h PHE 67 CO 0.00 0.48 0.08 -0.44 -2.23 0.00 0.00 178.31 176.21 2r6t h ASP 68 N 0.52 0.19 -0.44 0.41 3.32 -1.11 -1.02 116.42 118.29 2r6t h ASP 68 Ca 0.14 -0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.19 2r6t h ASP 68 Cb 0.12 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 2r6t h ASP 68 CO -0.02 0.22 -0.12 0.00 -1.72 0.00 0.00 179.24 177.60 2r6t h GLY 70 N -0.02 -0.32 -0.23 0.00 0.00 -0.39 -1.60 103.07 100.52 2r6t h GLY 70 Ca 0.21 0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.92 2r6t h GLY 70 CO -0.46 -0.19 -0.17 0.84 0.00 0.00 0.00 176.54 176.55 2r6t h HIS 71 N -0.35 -0.39 0.00 5.60 6.17 -0.89 -1.93 115.15 123.37 2r6t h HIS 71 Ca 0.06 0.06 -0.06 0.00 0.71 0.00 0.00 60.37 61.13 2r6t h HIS 71 Cb 0.42 0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.60 2r6t h HIS 71 CO -0.25 -0.28 -0.29 -0.44 0.71 0.00 0.00 177.93 177.38 2r6t h ASP 72 N -0.02 0.00 0.71 3.26 5.19 -0.61 -2.09 116.42 122.86 2r6t h ASP 72 Ca 0.28 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.54 2r6t h ASP 72 Cb 0.46 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 2r6t h ASP 72 CO -0.63 0.29 -0.71 -0.07 -3.12 0.00 0.00 179.24 175.00 2r6t h LEU 73 N 0.00 0.00 -0.06 1.55 3.38 -0.56 -2.73 115.31 116.89 2r6t h LEU 73 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2r6t h LEU 73 Cb 0.57 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2r6t h LEU 73 CO 0.04 0.72 -0.00 0.00 0.09 0.00 0.00 178.44 179.28 2r6t n ALA 74 N -2.41 2.66 -2.82 1.53 0.00 -0.81 -4.77 120.51 113.89 2r6t n ALA 74 Ca -0.01 -0.21 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 2r6t n ALA 74 Cb 0.70 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.54 2r6t n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2r6t s THR 75 N -2.09 4.74 0.55 0.00 2.01 -1.03 -1.60 115.64 118.23 2r6t s THR 75 Ca 0.44 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 2r6t s THR 75 Cb 0.22 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 2r6t s THR 75 CO 0.38 0.12 1.16 -2.84 -0.69 0.00 0.00 174.62 172.75 2r6t s PRO 76 N 1.65 3.26 0.49 4.92 0.02 -1.26 -4.93 135.00 139.15 2r6t s PRO 76 Ca 0.05 1.70 0.28 0.00 0.02 0.00 0.00 61.00 63.05 2r6t s PRO 76 Cb -0.17 -2.01 1.01 0.00 0.02 0.00 0.00 34.50 33.36 2r6t s PRO 76 CO 0.07 -0.95 1.85 0.00 -0.33 0.00 0.00 177.00 177.65 2r6t h ALA 77 N 1.16 0.99 -1.75 -1.55 0.00 -1.96 -3.42 119.26 112.74 2r6t h ALA 77 Ca -0.50 -0.08 -0.48 0.00 0.00 0.00 0.00 54.91 53.84 2r6t h ALA 77 Cb 1.27 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.68 2r6t h ALA 77 CO 0.57 0.12 -1.07 -0.40 0.00 0.00 0.00 179.25 178.46 2r6t n ASP 78 N -3.20 0.14 0.14 0.00 5.75 -1.26 -4.97 116.55 113.16 2r6t n ASP 78 Ca 0.01 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 2r6t n ASP 78 Cb 0.40 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2r6t n ASP 78 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2r6t n HIS 82 N 0.81 0.00 0.00 2.11 -0.00 -1.26 -5.24 115.22 111.63 2r6t n HIS 82 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 2r6t n HIS 82 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 2r6t n HIS 82 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2r6t n SER 83 N -1.37 -0.63 -4.67 0.41 2.88 -1.26 -4.99 113.62 103.99 2r6t n SER 83 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2r6t n SER 83 Cb 0.44 0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 64.40 2r6t n SER 83 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2r6t s PHE 84 N -1.35 2.44 -0.21 0.66 0.08 -1.26 -4.95 117.98 113.39 2r6t s PHE 84 Ca 0.00 0.56 0.22 0.00 0.12 0.00 0.00 56.93 57.83 2r6t s PHE 84 Cb 0.00 -3.75 -0.03 0.00 -0.57 0.00 0.00 43.02 38.67 2r6t s PHE 84 CO 0.00 -2.96 1.00 0.36 -0.10 0.00 0.00 175.22 173.52 2r6t n LYS 85 N 6.47 0.61 -3.43 0.44 2.85 -1.26 -4.95 118.16 118.89 2r6t n LYS 85 Ca 0.15 0.14 -0.37 0.00 -1.05 0.00 0.00 58.31 57.18 2r6t n LYS 85 Cb 0.43 -1.82 -0.07 0.00 -0.65 0.00 0.00 35.03 32.92 2r6t n LYS 85 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 2r6t s PHE 86 N -3.29 3.45 -0.09 5.58 5.36 -1.26 -5.07 117.98 122.66 2r6t s PHE 86 Ca -0.01 0.69 0.03 0.00 -0.96 0.00 0.00 56.93 56.68 2r6t s PHE 86 Cb 0.09 -2.45 0.01 0.00 -0.34 0.00 0.00 43.02 40.33 2r6t s PHE 86 CO 0.79 0.15 -0.18 0.15 -1.46 0.00 0.00 175.22 174.68 2r6t s LYS 87 N 0.73 2.37 0.22 10.12 3.01 -1.26 -4.86 119.74 130.08 2r6t s LYS 87 Ca 0.20 -0.64 0.17 0.00 -1.01 0.00 0.00 55.97 54.70 2r6t s LYS 87 Cb -0.14 -1.89 0.02 0.00 -1.01 0.00 0.00 37.83 34.81 2r6t s LYS 87 CO 0.07 0.06 1.21 -0.56 0.51 0.00 0.00 175.35 176.65 2r6t h GLN 88 N 6.98 0.00 0.00 1.68 -0.00 -1.98 -3.41 115.11 118.38 2r6t h GLN 88 Ca -0.26 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.40 2r6t h GLN 88 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.65 2r6t h GLN 88 CO 0.48 0.31 -0.32 0.93 -0.00 0.00 0.00 178.83 180.23 2r6t h GLU 89 N 0.00 -0.39 0.56 0.06 4.39 -1.97 0.12 114.58 117.35 2r6t h GLU 89 Ca -0.05 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2r6t h GLU 89 Cb 1.36 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 30.10 2r6t h GLU 89 CO 0.04 -0.26 -0.27 -0.56 -1.16 0.00 0.00 179.01 176.81 2r6t h GLN 90 N -0.40 -0.72 -0.74 2.33 -0.00 -2.00 -2.13 115.11 111.44 2r6t h GLN 90 Ca 0.01 0.05 0.13 0.00 -0.00 0.00 0.00 58.65 58.84 2r6t h GLN 90 Cb 0.43 0.16 -0.14 0.00 -0.00 0.00 0.00 27.48 27.94 2r6t h GLN 90 CO -0.21 -0.46 -0.30 -1.35 -0.00 0.00 0.00 178.83 176.52 2r6t h PRO 91 N -0.81 -0.07 -0.26 0.06 0.11 -1.77 -1.77 132.00 127.49 2r6t h PRO 91 Ca -0.08 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 2r6t h PRO 91 Cb 0.60 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 2r6t h PRO 91 CO 0.13 -0.05 -0.21 1.15 -0.21 0.00 0.00 178.00 178.81 2r6t h THR 92 N -0.07 1.31 -0.46 -1.15 2.02 -0.73 -2.15 112.91 111.67 2r6t h THR 92 Ca 0.31 -1.35 0.09 0.00 0.77 0.00 0.00 66.41 66.23 2r6t h THR 92 Cb 0.57 1.61 -0.09 0.00 -1.74 0.00 0.00 68.15 68.50 2r6t h THR 92 CO -0.79 0.42 -0.16 1.62 0.37 0.00 0.00 175.52 176.99 2r6t h VAL 93 N 0.32 0.46 -0.92 3.16 3.04 -1.22 0.12 116.25 121.20 2r6t h VAL 93 Ca 0.05 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.83 2r6t h VAL 93 Cb 0.75 0.46 -0.07 0.00 -2.01 0.00 0.00 31.29 30.42 2r6t h VAL 93 CO 0.05 0.00 0.59 -0.25 -1.01 0.00 0.00 177.57 176.96 2r6t h TRP 94 N -0.05 1.02 -0.28 3.17 7.01 -1.02 0.25 115.95 126.04 2r6t h TRP 94 Ca 0.22 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.12 2r6t h TRP 94 Cb 0.40 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2r6t h TRP 94 CO -0.43 0.47 -0.36 -0.07 -2.79 0.00 0.00 178.44 175.26 2r6t h LEU 95 N 0.95 0.80 -0.90 0.65 3.38 -0.69 -3.12 115.31 116.37 2r6t h LEU 95 Ca 0.43 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2r6t h LEU 95 Cb 0.37 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2r6t h LEU 95 CO -0.19 1.14 0.29 -0.33 0.09 0.00 0.00 178.44 179.44 2r6t h GLU 96 N 0.48 1.08 -0.84 1.13 5.08 0.28 -0.18 114.58 121.61 2r6t h GLU 96 Ca 0.03 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2r6t h GLU 96 Cb 0.94 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2r6t h GLU 96 CO 0.08 0.88 0.43 0.93 -1.00 0.00 0.00 179.01 180.34 2r6t h GLU 97 N 1.06 1.18 -0.05 2.33 5.08 -1.05 -1.59 114.58 121.54 2r6t h GLU 97 Ca 0.24 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 2r6t h GLU 97 Cb 0.21 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2r6t h GLU 97 CO -0.02 0.89 -0.86 0.87 -1.00 0.00 0.00 179.01 178.89 2r6t h LYS 98 N 1.18 0.52 -0.78 2.33 1.57 -1.40 -1.78 116.57 118.21 2r6t h LYS 98 Ca 0.29 -0.48 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2r6t h LYS 98 Cb 0.07 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2r6t h LYS 98 CO -0.04 1.12 0.47 0.82 -0.57 0.00 0.00 179.45 181.24 2r6t h ILE 99 N 0.32 1.02 0.59 1.86 2.04 -0.82 0.83 117.51 123.35 2r6t h ILE 99 Ca -0.07 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2r6t h ILE 99 Cb 1.48 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2r6t h ILE 99 CO 0.16 0.16 -0.28 0.44 0.00 0.00 0.00 178.15 178.62 2r6t h ASP 100 N 0.86 -0.67 -0.46 1.72 3.32 -1.18 -0.68 116.42 119.33 2r6t h ASP 100 Ca 0.34 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.43 2r6t h ASP 100 Cb 0.17 0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 2r6t h ASP 100 CO -0.17 -0.30 0.13 0.78 -1.72 0.00 0.00 179.24 177.96 2r6t h ASN 101 N -1.09 0.10 -0.81 6.45 2.35 -1.29 -2.00 115.58 119.29 2r6t h ASN 101 Ca -0.08 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2r6t h ASN 101 Cb 0.66 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 2r6t h ASN 101 CO 0.13 0.09 0.53 1.88 -1.65 0.00 0.00 177.43 178.41 2r6t h TYR 102 N 0.29 1.00 -0.63 1.19 0.05 -0.88 -2.51 116.97 115.48 2r6t h TYR 102 Ca 0.22 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 2r6t h TYR 102 Cb 0.25 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 2r6t h TYR 102 CO -0.18 0.60 0.10 1.15 -1.05 0.00 0.00 178.16 178.78 2r6t h THR 103 N 1.06 1.26 0.00 -2.88 2.02 -0.43 -3.08 112.91 110.86 2r6t h THR 103 Ca 0.31 -1.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.34 2r6t h THR 103 Cb -0.07 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2r6t h THR 103 CO -0.09 0.38 -0.63 0.06 0.37 0.00 0.00 175.52 175.61 2r6t h GLN 104 N 0.98 0.00 0.00 6.66 -0.00 -1.31 -3.31 115.11 118.13 2r6t h GLN 104 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.74 2r6t h GLN 104 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.89 2r6t h GLN 104 CO 0.01 0.63 -0.49 0.28 -0.00 0.00 0.00 178.83 179.27 2r6t h VAL 105 N 0.00 0.92 -3.24 1.86 2.07 -1.41 -3.46 116.25 112.98 2r6t h VAL 105 Ca -0.01 -2.05 -0.48 0.00 0.82 0.00 0.00 66.70 64.99 2r6t h VAL 105 Cb 1.44 2.28 0.03 0.00 -1.52 0.00 0.00 31.29 33.52 2r6t h VAL 105 CO 0.08 0.48 0.01 0.68 0.02 0.00 0.00 177.57 178.84 2r6t s VAL 106 N -3.17 4.62 0.32 2.57 -7.23 -1.17 -5.04 120.40 111.31 2r6t s VAL 106 Ca 0.02 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 2r6t s VAL 106 Cb 0.09 -3.74 -0.10 0.00 0.56 0.00 0.00 36.38 33.19 2r6t s VAL 106 CO 0.73 -0.63 1.37 -2.84 -0.31 0.00 0.00 175.10 173.42 2r6t s PRO 107 N -4.64 4.29 0.24 4.82 0.02 -1.26 -4.97 135.00 133.50 2r6t s PRO 107 Ca 0.47 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.49 2r6t s PRO 107 Cb -0.10 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.26 2r6t s PRO 107 CO 0.41 -0.31 1.41 0.00 -0.33 0.00 0.00 177.00 178.18 2r6t s ALA 108 N -0.83 3.60 0.07 -1.55 0.00 -1.26 -5.04 121.76 116.75 2r6t s ALA 108 Ca 0.52 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.84 2r6t s ALA 108 Cb -0.42 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 2r6t s ALA 108 CO 0.52 -0.70 -0.21 0.14 0.00 0.00 0.00 175.76 175.52 2r6t s VAL 109 N 0.01 1.70 0.00 0.00 -7.23 -1.26 -5.05 120.40 108.57 2r6t s VAL 109 Ca 0.59 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2r6t s VAL 109 Cb -0.41 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.03 2r6t s VAL 109 CO 0.42 0.09 0.00 2.29 -0.31 0.00 0.00 175.10 177.59 2r6t n LYS 110 N 1.51 0.00 -2.78 4.82 0.00 -1.26 -5.03 118.16 115.42 2r6t n LYS 110 Ca -0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 57.97 2r6t n LYS 110 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.59 2r6t n LYS 110 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2r6t n LYS 111 N 0.00 0.83 -2.12 -1.58 2.85 -1.26 -5.09 118.16 111.80 2r6t n LYS 111 Ca 0.00 -2.29 -0.42 0.00 -1.05 0.00 0.00 58.31 54.55 2r6t n LYS 111 Cb 0.00 0.06 -0.03 0.00 -0.65 0.00 0.00 35.03 34.42 2r6t n LYS 111 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2r6t s PHE 112 N -1.72 3.17 -0.05 5.58 0.08 -1.26 -4.85 117.98 118.93 2r6t s PHE 112 Ca 0.31 1.05 -0.23 0.00 0.12 0.00 0.00 56.93 58.18 2r6t s PHE 112 Cb -0.02 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.67 2r6t s PHE 112 CO 0.20 -2.36 0.68 0.42 -0.10 0.00 0.00 175.22 174.06 2r6t s ILE 113 N 0.39 4.99 0.19 0.64 1.01 -1.26 -0.14 121.20 127.02 2r6t s ILE 113 Ca 0.60 1.42 -0.06 0.00 0.00 0.00 0.00 60.65 62.61 2r6t s ILE 113 Cb -0.39 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 2r6t s ILE 113 CO 0.37 0.29 0.44 -0.76 0.00 0.00 0.00 174.94 175.29 2r6t s LEU 114 N 0.54 4.21 0.04 2.97 1.43 0.38 -4.90 118.68 123.34 2r6t s LEU 114 Ca 0.36 0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 53.84 2r6t s LEU 114 Cb -0.18 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2r6t s LEU 114 CO 0.18 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 2r6t s PRO 115 N -2.84 4.50 0.00 1.29 0.05 -1.26 -4.02 135.00 132.73 2r6t s PRO 115 Ca 0.43 1.59 0.00 0.00 0.05 0.00 0.00 61.00 63.07 2r6t s PRO 115 Cb -0.12 -3.40 0.00 0.00 0.05 0.00 0.00 34.50 31.04 2r6t s PRO 115 CO 0.24 -0.14 0.00 0.41 0.05 0.00 0.00 177.00 177.57 2r6t n GLY 116 N 3.00 1.03 0.00 0.56 0.00 -1.26 -4.97 105.19 103.54 2r6t n GLY 116 Ca 0.07 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2r6t n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r6t n GLY 117 N -1.69 0.40 3.68 -0.02 0.00 -1.26 -4.26 105.19 102.04 2r6t n GLY 117 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 2r6t n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r6t s THR 118 N -0.20 2.53 0.30 2.61 -4.23 -1.26 -4.77 115.64 110.61 2r6t s THR 118 Ca 0.00 0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 2r6t s THR 118 Cb 0.00 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.64 2r6t s THR 118 CO 0.00 -0.23 1.81 -0.61 -0.54 0.00 0.00 174.62 175.05 2r6t h GLN 119 N -1.73 0.84 -0.06 3.99 4.15 -1.98 -1.78 115.11 118.54 2r6t h GLN 119 Ca -0.49 -0.05 -0.23 0.00 0.77 0.00 0.00 58.65 58.65 2r6t h GLN 119 Cb 1.28 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 28.79 2r6t h GLN 119 CO 0.51 0.55 -0.89 1.25 -1.93 0.00 0.00 178.83 178.32 2r6t h LEU 120 N 0.86 0.78 -0.49 -2.39 5.85 -1.92 -2.35 115.31 115.65 2r6t h LEU 120 Ca 0.54 -0.57 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2r6t h LEU 120 Cb 0.72 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2r6t h LEU 120 CO -0.32 1.36 0.32 0.00 -0.34 0.00 0.00 178.44 179.46 2r6t h ALA 121 N 0.60 0.63 -0.36 1.25 0.00 -1.77 -1.93 119.26 117.69 2r6t h ALA 121 Ca -0.08 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2r6t h ALA 121 Cb 1.52 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2r6t h ALA 121 CO 0.17 0.06 0.05 0.77 0.00 0.00 0.00 179.25 180.30 2r6t h SER 122 N 0.66 -0.03 -0.33 0.00 0.02 -1.30 -1.15 113.55 111.41 2r6t h SER 122 Ca 0.18 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2r6t h SER 122 Cb -0.06 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2r6t h SER 122 CO -0.05 0.02 0.10 0.00 -1.14 0.00 0.00 176.83 175.76 2r6t h ALA 123 N 1.28 1.42 -0.08 3.77 0.00 -1.17 -0.86 119.26 123.62 2r6t h ALA 123 Ca 0.17 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2r6t h ALA 123 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2r6t h ALA 123 CO -0.24 0.42 -0.57 -0.07 0.00 0.00 0.00 179.25 178.79 2r6t h LEU 124 N 0.58 0.28 -0.92 0.00 3.38 -1.03 0.23 115.31 117.84 2r6t h LEU 124 Ca 0.14 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2r6t h LEU 124 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2r6t h LEU 124 CO -0.00 0.79 -0.23 0.45 0.09 0.00 0.00 178.44 179.54 2r6t h HIS 125 N 0.19 0.59 -0.34 1.13 3.86 -0.48 0.03 115.15 120.13 2r6t h HIS 125 Ca -0.00 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.00 2r6t h HIS 125 Cb 1.06 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 2r6t h HIS 125 CO 0.02 0.72 -0.13 0.28 0.86 0.00 0.00 177.93 179.68 2r6t h VAL 126 N 0.47 1.28 -0.55 2.45 2.07 -0.88 -2.62 116.25 118.47 2r6t h VAL 126 Ca 0.07 -1.22 0.11 0.00 0.82 0.00 0.00 66.70 66.48 2r6t h VAL 126 Cb 0.66 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 2r6t h VAL 126 CO 0.05 0.40 0.02 0.00 0.02 0.00 0.00 177.57 178.06 2r6t h ALA 127 N 0.79 0.55 -0.61 1.67 0.00 -0.31 0.12 119.26 121.47 2r6t h ALA 127 Ca 0.08 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2r6t h ALA 127 Cb 0.65 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 2r6t h ALA 127 CO 0.04 -0.37 0.03 -0.09 0.00 0.00 0.00 179.25 178.86 2r6t h ARG 128 N 0.14 0.14 0.19 0.00 2.43 -0.91 0.11 114.38 116.48 2r6t h ARG 128 Ca 0.28 -0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 59.13 2r6t h ARG 128 Cb 0.44 -0.03 0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2r6t h ARG 128 CO -0.45 0.09 -1.36 1.79 -1.51 0.00 0.00 179.97 178.53 2r6t h THR 129 N 0.14 1.28 -0.11 0.20 1.35 -0.85 -2.53 112.91 112.40 2r6t h THR 129 Ca 0.32 -2.58 -0.05 0.00 -0.55 0.00 0.00 66.41 63.56 2r6t h THR 129 Cb 0.52 2.86 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 2r6t h THR 129 CO -0.50 0.78 -0.14 0.40 -0.25 0.00 0.00 175.52 175.81 2r6t h ILE 130 N 0.22 1.16 -0.77 6.82 2.04 -0.73 -0.46 117.51 125.79 2r6t h ILE 130 Ca -0.22 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 64.92 2r6t h ILE 130 Cb 2.04 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 39.32 2r6t h ILE 130 CO 0.26 0.22 0.51 0.74 0.00 0.00 0.00 178.15 179.88 2r6t h THR 131 N 0.16 1.20 -0.02 -0.27 2.02 -0.67 -1.14 112.91 114.19 2r6t h THR 131 Ca 0.03 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.67 2r6t h THR 131 Cb 0.35 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2r6t h THR 131 CO 0.02 0.19 -0.78 0.11 0.37 0.00 0.00 175.52 175.43 2r6t h LYS 132 N 1.04 0.19 -0.46 6.66 1.57 -0.93 0.20 116.57 124.85 2r6t h LYS 132 Ca 0.28 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2r6t h LYS 132 Cb -0.12 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2r6t h LYS 132 CO -0.06 0.88 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.48 2r6t h ARG 133 N 0.12 0.90 -0.40 3.15 2.43 -1.07 -0.01 114.38 119.51 2r6t h ARG 133 Ca -0.03 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.75 2r6t h ARG 133 Cb 1.37 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2r6t h ARG 133 CO 0.12 1.00 0.09 0.00 -1.51 0.00 0.00 179.97 179.68 2r6t h ALA 134 N 0.87 1.42 -0.34 2.80 0.00 -1.03 -2.90 119.26 120.09 2r6t h ALA 134 Ca 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2r6t h ALA 134 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2r6t h ALA 134 CO 0.05 0.42 0.03 1.49 0.00 0.00 0.00 179.25 181.24 2r6t h GLU 135 N 0.58 0.58 -0.82 0.00 4.81 -0.19 -0.52 114.58 119.01 2r6t h GLU 135 Ca 0.13 -0.17 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2r6t h GLU 135 Cb 0.23 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 2r6t h GLU 135 CO -0.00 0.68 0.44 0.00 -0.73 0.00 0.00 179.01 179.40 2r6t h ARG 136 N 0.39 0.67 0.01 1.92 3.08 -0.89 -1.12 114.38 118.44 2r6t h ARG 136 Ca 0.10 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 2r6t h ARG 136 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2r6t h ARG 136 CO 0.01 0.44 -0.92 0.37 -1.07 0.00 0.00 179.97 178.81 2r6t h GLN 137 N 0.69 0.11 -0.72 0.04 5.75 -1.33 -1.22 115.11 118.44 2r6t h GLN 137 Ca 0.42 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.80 2r6t h GLN 137 Cb 0.51 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 2r6t h GLN 137 CO -0.31 0.95 0.47 0.82 -2.65 0.00 0.00 178.83 178.11 2r6t h ILE 138 N 0.05 1.18 -0.49 2.39 2.04 -0.56 -2.43 117.51 119.69 2r6t h ILE 138 Ca -0.04 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2r6t h ILE 138 Cb 1.58 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2r6t h ILE 138 CO 0.13 0.18 0.21 0.58 0.00 0.00 0.00 178.15 179.24 2r6t h VAL 139 N 0.96 1.21 -0.95 1.67 2.07 -1.01 0.31 116.25 120.50 2r6t h VAL 139 Ca 0.26 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.26 2r6t h VAL 139 Cb -0.10 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 2r6t h VAL 139 CO -0.06 0.24 0.61 -0.61 0.02 0.00 0.00 177.57 177.76 2r6t h GLN 140 N 0.66 0.90 -0.11 1.57 -0.00 -1.07 -0.96 115.11 116.10 2r6t h GLN 140 Ca 0.17 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.69 2r6t h GLN 140 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.46 2r6t h GLN 140 CO -0.02 0.60 -0.21 1.25 0.00 0.00 0.00 178.83 180.45 2r6t h LEU 141 N 0.93 0.38 -0.98 -2.39 5.85 -1.16 -3.21 115.31 114.74 2r6t h LEU 141 Ca 0.45 -0.55 0.26 0.00 0.84 0.00 0.00 57.88 58.89 2r6t h LEU 141 Cb 0.46 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.25 2r6t h LEU 141 CO -0.21 0.86 0.54 -0.03 -0.34 0.00 0.00 178.44 179.25 2r6t h MET 142 N -0.08 0.44 0.00 1.25 4.05 0.15 0.15 114.93 120.88 2r6t h MET 142 Ca 0.01 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2r6t h MET 142 Cb 0.79 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2r6t h MET 142 CO 0.05 0.29 0.00 0.54 0.23 0.00 0.00 176.91 178.02 2r6t n ARG 143 N -4.98 0.58 0.00 0.39 1.74 -0.47 -3.28 116.66 110.64 2r6t n ARG 143 Ca 0.27 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2r6t n ARG 143 Cb 0.80 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 2r6t n ARG 143 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2r6t n GLU 144 N -1.15 2.73 -4.06 5.56 1.02 0.13 -5.10 120.64 119.77 2r6t n GLU 144 Ca 0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2r6t n GLU 144 Cb 0.15 -0.96 -0.09 0.00 -0.02 0.00 0.00 31.44 30.52 2r6t n GLU 144 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2r6t s GLU 145 N -1.89 0.76 -0.20 3.49 2.02 0.28 -5.12 118.70 118.03 2r6t s GLU 145 Ca 0.00 -1.23 -0.23 0.00 0.02 0.00 0.00 54.97 53.53 2r6t s GLU 145 Cb 0.00 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.46 2r6t s GLU 145 CO 0.00 -0.19 0.71 1.14 0.02 0.00 0.00 175.26 176.94 2r6t s GLN 146 N -3.95 4.23 0.53 1.61 -2.07 -1.26 -4.18 119.66 114.58 2r6t s GLN 146 Ca 0.12 0.77 0.08 0.00 -1.82 0.00 0.00 55.36 54.51 2r6t s GLN 146 Cb 0.07 -3.59 0.05 0.00 -1.09 0.00 0.00 33.01 28.45 2r6t s GLN 146 CO -0.07 -0.30 0.58 0.96 -1.32 0.00 0.00 175.29 175.14 2r6t s ILE 147 N 2.11 2.08 -0.81 3.63 -4.36 -1.26 -4.36 121.20 118.23 2r6t s ILE 147 Ca 0.32 -1.23 -0.26 0.00 -0.26 0.00 0.00 60.65 59.23 2r6t s ILE 147 Cb -0.16 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.28 2r6t s ILE 147 CO 0.11 0.00 1.38 0.21 0.24 0.00 0.00 174.94 176.88 2r6t s ASN 148 N -4.44 6.16 0.61 4.36 2.47 -1.26 -4.87 114.94 117.97 2r6t s ASN 148 Ca 0.49 -0.66 0.36 0.00 0.42 0.00 0.00 52.86 53.48 2r6t s ASN 148 Cb -0.04 -2.56 1.96 0.00 -1.45 0.00 0.00 41.25 39.16 2r6t s ASN 148 CO 0.31 -1.82 2.10 1.56 -3.72 0.00 0.00 177.10 175.53 2r6t h GLN 149 N 10.35 0.00 -0.37 0.43 1.08 -1.97 -0.22 115.11 124.41 2r6t h GLN 149 Ca -0.15 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2r6t h GLN 149 Cb 1.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.46 2r6t h GLN 149 CO 1.31 0.00 0.00 -0.44 -0.95 0.00 0.00 178.83 178.75 2r6t h ASP 150 N 0.00 0.55 -0.33 1.46 5.19 -1.90 -3.06 116.42 118.33 2r6t h ASP 150 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2r6t h ASP 150 Cb 0.23 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 2r6t h ASP 150 CO 0.00 0.62 0.21 0.58 -3.12 0.00 0.00 179.24 177.53 2r6t h VAL 151 N 0.56 1.10 -0.48 -1.35 2.07 -1.36 -1.95 116.25 114.83 2r6t h VAL 151 Ca 0.12 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2r6t h VAL 151 Cb 0.35 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2r6t h VAL 151 CO 0.01 0.09 0.25 0.25 0.02 0.00 0.00 177.57 178.20 2r6t h LEU 152 N 0.44 0.58 -0.05 2.57 5.85 -1.67 0.17 115.31 123.20 2r6t h LEU 152 Ca 0.12 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2r6t h LEU 152 Cb -0.03 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2r6t h LEU 152 CO -0.02 0.48 -0.02 0.40 -0.34 0.00 0.00 178.44 178.94 2r6t h ILE 153 N 0.66 1.31 -0.36 4.05 2.04 -1.40 0.46 117.51 124.28 2r6t h ILE 153 Ca 0.17 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2r6t h ILE 153 Cb 0.03 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2r6t h ILE 153 CO -0.03 0.26 0.20 0.15 0.00 0.00 0.00 178.15 178.73 2r6t h PHE 154 N -0.28 0.50 0.00 1.37 3.57 -1.17 0.20 116.94 121.12 2r6t h PHE 154 Ca 0.01 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2r6t h PHE 154 Cb 0.43 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2r6t h PHE 154 CO 0.06 0.39 -0.39 0.82 -2.23 0.00 0.00 178.31 176.96 2r6t h ILE 155 N 0.46 1.23 -0.02 1.41 1.08 -0.68 0.38 117.51 121.37 2r6t h ILE 155 Ca 0.13 -1.37 -0.02 0.00 -0.39 0.00 0.00 64.86 63.21 2r6t h ILE 155 Cb 0.06 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 2r6t h ILE 155 CO -0.02 0.39 -0.06 -1.13 -0.69 0.00 0.00 178.15 176.64 2r6t h ASN 156 N 0.00 0.09 0.10 1.72 -1.24 -0.62 -3.19 115.58 112.43 2r6t h ASN 156 Ca -0.00 -0.59 -0.02 0.00 0.71 0.00 0.00 56.30 56.40 2r6t h ASN 156 Cb 0.72 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 2r6t h ASN 156 CO 0.05 0.67 -0.08 -0.09 -1.29 0.00 0.00 177.43 176.69 2r6t h ARG 157 N -0.48 0.00 -0.89 6.67 9.65 -0.70 -3.18 114.38 125.44 2r6t h ARG 157 Ca -0.00 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 2r6t h ARG 157 Cb 0.66 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.18 2r6t h ARG 157 CO 0.01 0.08 0.58 1.25 2.80 0.00 0.00 179.97 184.69 2r6t h LEU 158 N 0.00 0.96 -1.17 3.80 5.85 -0.23 -1.92 115.31 122.60 2r6t h LEU 158 Ca -0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2r6t h LEU 158 Cb 0.15 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2r6t h LEU 158 CO 0.01 0.66 -0.36 0.77 -0.34 0.00 0.00 178.44 179.18 2r6t h SER 159 N 1.12 0.00 -0.39 1.25 4.64 -1.60 -2.01 113.55 116.56 2r6t h SER 159 Ca 0.36 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 2r6t h SER 159 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2r6t h SER 159 CO -0.12 0.36 -0.16 0.44 -0.87 0.00 0.00 176.83 176.48 2r6t h ASP 160 N 0.00 0.82 -0.62 4.97 5.19 -1.62 -2.35 116.42 122.81 2r6t h ASP 160 Ca -0.00 -0.39 0.12 0.00 -0.62 0.00 0.00 57.03 56.13 2r6t h ASP 160 Cb 0.76 -0.23 -0.09 0.00 0.18 0.00 0.00 39.33 39.95 2r6t h ASP 160 CO 0.05 1.03 0.15 0.22 -3.12 0.00 0.00 179.24 177.57 2r6t h TYR 161 N 0.61 0.24 -0.19 4.55 3.20 -0.67 -0.85 116.97 123.86 2r6t h TYR 161 Ca 0.09 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 2r6t h TYR 161 Cb 0.71 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2r6t h TYR 161 CO 0.06 -0.02 -0.48 0.74 -1.64 0.00 0.00 178.16 176.81 2r6t h PHE 162 N 0.28 0.60 0.76 -3.82 0.04 -1.35 0.33 116.94 113.78 2r6t h PHE 162 Ca 0.33 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 2r6t h PHE 162 Cb 0.49 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.53 2r6t h PHE 162 CO -0.24 0.88 -0.36 0.35 -0.60 0.00 0.00 178.31 178.34 2r6t h PHE 163 N 0.39 -0.94 -0.41 -0.55 3.57 -0.95 0.35 116.94 118.40 2r6t h PHE 163 Ca 0.02 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2r6t h PHE 163 Cb 0.99 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.98 2r6t h PHE 163 CO 0.04 -0.58 0.04 0.00 -2.23 0.00 0.00 178.31 175.58 2r6t h ALA 164 N -0.84 0.40 -0.11 2.41 0.00 -1.04 -2.06 119.26 118.02 2r6t h ALA 164 Ca -0.10 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2r6t h ALA 164 Cb 0.79 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2r6t h ALA 164 CO 0.17 -0.36 -0.49 0.00 0.00 0.00 0.00 179.25 178.57 2r6t h ALA 165 N 1.33 0.96 -0.21 0.00 0.00 -0.24 -1.56 119.26 119.54 2r6t h ALA 165 Ca 0.20 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2r6t h ALA 165 Cb 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2r6t h ALA 165 CO -0.30 0.65 -0.17 0.00 0.00 0.00 0.00 179.25 179.43 2r6t h ALA 166 N 1.25 -0.04 -0.40 0.00 0.00 0.14 0.14 119.26 120.36 2r6t h ALA 166 Ca 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2r6t h ALA 166 Cb 0.95 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2r6t h ALA 166 CO 0.08 -0.60 0.06 0.00 0.00 0.00 0.00 179.25 178.79 2r6t h ARG 167 N -0.18 0.60 -0.52 0.00 3.08 -1.01 -2.26 114.38 114.10 2r6t h ARG 167 Ca 0.12 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2r6t h ARG 167 Cb 0.36 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2r6t h ARG 167 CO -0.31 0.58 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.24 2r6t h TYR 168 N 0.58 0.94 -0.66 3.04 3.20 -0.93 -2.27 116.97 120.88 2r6t h TYR 168 Ca 0.13 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2r6t h TYR 168 Cb 0.27 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2r6t h TYR 168 CO 0.01 0.86 0.13 0.00 -1.64 0.00 0.00 178.16 177.52 2r6t h ALA 169 N 1.18 0.99 0.01 1.82 0.00 -0.41 0.20 119.26 123.06 2r6t h ALA 169 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2r6t h ALA 169 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2r6t h ALA 169 CO 0.02 0.65 -0.01 -0.91 0.00 0.00 0.00 179.25 179.00 2r6t h ASN 170 N 1.00 -0.01 -0.76 0.00 2.35 -1.42 -3.15 115.58 113.59 2r6t h ASN 170 Ca 0.20 -0.15 0.17 0.00 -0.55 0.00 0.00 56.30 55.97 2r6t h ASN 170 Cb 0.39 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.66 2r6t h ASN 170 CO 0.01 0.14 0.20 0.22 -1.65 0.00 0.00 177.43 176.34 2r6t h TYR 171 N -0.17 0.31 0.00 1.19 3.20 -1.21 -0.80 116.97 119.48 2r6t h TYR 171 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2r6t h TYR 171 Cb 0.16 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2r6t h TYR 171 CO -0.02 -0.09 0.00 1.28 -1.64 0.00 0.00 178.16 177.69 2r6t n LEU 172 N -5.15 0.40 -0.47 2.82 4.77 0.04 -2.78 117.00 116.64 2r6t n LEU 172 Ca 0.15 0.69 0.05 0.00 -0.03 0.00 0.00 56.01 56.87 2r6t n LEU 172 Cb 0.48 -0.73 0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2r6t n LEU 172 CO 0.12 -0.81 0.37 -0.62 -1.33 0.00 0.00 177.39 175.12 2r6t n GLU 173 N -2.04 0.73 -2.93 3.23 1.02 -0.43 -4.85 120.64 115.36 2r6t n GLU 173 Ca -0.01 -2.07 -0.22 0.00 -0.02 0.00 0.00 57.16 54.84 2r6t n GLU 173 Cb 0.03 -0.99 0.02 0.00 -0.02 0.00 0.00 31.44 30.49 2r6t n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2r6t n GLN 174 N -0.66 -4.13 -4.35 3.49 3.00 -1.04 -4.99 117.38 108.70 2r6t n GLN 174 Ca 0.10 0.88 -0.34 0.00 -0.01 0.00 0.00 57.00 57.62 2r6t n GLN 174 Cb 0.73 -5.69 -0.13 0.00 0.00 0.00 0.00 30.24 25.15 2r6t n GLN 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2r6t s GLN 175 N -5.60 3.51 0.42 -1.09 2.00 -0.48 -5.03 119.66 113.39 2r6t s GLN 175 Ca 0.25 -0.59 -0.24 0.00 -2.00 0.00 0.00 55.36 52.78 2r6t s GLN 175 Cb -0.11 -2.88 -0.08 0.00 0.80 0.00 0.00 33.01 30.74 2r6t s GLN 175 CO 0.31 0.10 1.11 -2.14 -0.50 0.00 0.00 175.29 174.17 2r6t s PRO 176 N 0.71 4.02 0.60 1.67 0.02 -1.26 -3.86 135.00 136.90 2r6t s PRO 176 Ca -0.03 1.67 -0.17 0.00 0.02 0.00 0.00 61.00 62.49 2r6t s PRO 176 Cb -0.15 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 31.80 2r6t s PRO 176 CO 0.02 -0.30 1.14 -0.51 -0.33 0.00 0.00 177.00 177.02 2r6t s ASP 177 N -1.39 5.33 -0.27 2.53 1.01 -1.26 -4.84 116.67 117.79 2r6t s ASP 177 Ca 0.59 2.14 -0.29 0.00 0.71 0.00 0.00 52.55 55.70 2r6t s ASP 177 Cb -0.26 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.10 2r6t s ASP 177 CO 0.32 -1.48 1.14 0.00 0.21 0.00 0.00 175.17 175.36 2r6t s MET 178 N -3.64 4.12 0.21 8.23 0.00 -1.26 -4.98 119.30 121.99 2r6t s MET 178 Ca 0.71 1.28 0.05 0.00 0.00 0.00 0.00 55.69 57.73 2r6t s MET 178 Cb -0.24 -3.74 -0.03 0.00 0.00 0.00 0.00 34.83 30.82 2r6t s MET 178 CO 0.34 -0.83 0.24 -0.51 0.00 0.00 0.00 175.02 174.26 2r6t s LEU 179 N 3.63 4.04 -0.21 0.18 1.43 -1.26 0.14 118.68 126.63 2r6t s LEU 179 Ca 0.48 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.30 2r6t s LEU 179 Cb -0.15 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 2r6t s LEU 179 CO 0.14 -0.00 0.74 -0.47 0.23 0.00 0.00 176.35 176.99 2r6t s TYR 180 N -1.93 3.36 -2.53 0.29 5.04 0.80 -4.74 117.35 117.64 2r6t s TYR 180 Ca 0.33 1.06 0.20 0.00 -2.44 0.00 0.00 57.07 56.22 2r6t s TYR 180 Cb -0.09 -2.93 0.16 0.00 0.35 0.00 0.00 41.96 39.45 2r6t s TYR 180 CO 0.26 -0.27 1.14 2.89 -1.34 0.00 0.00 175.55 178.23