#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2y s ASN 2 N 0.00 1.12 -0.62 6.12 4.22 -1.26 -5.10 114.94 119.42 1c2y s ASN 2 Ca 0.00 -0.79 -0.26 0.00 -2.14 0.00 0.00 52.86 49.67 1c2y s ASN 2 Cb 0.00 0.73 -0.05 0.00 1.28 0.00 0.00 41.25 43.22 1c2y s ASN 2 CO 0.00 -0.35 2.08 -1.61 -2.04 0.00 0.00 177.10 175.18 1c2y s GLU 3 N 2.25 2.38 -0.84 3.55 2.02 -1.26 -4.89 118.70 121.90 1c2y s GLU 3 Ca 0.11 0.76 -0.20 0.00 0.02 0.00 0.00 54.97 55.65 1c2y s GLU 3 Cb -0.13 -4.55 0.10 0.00 0.10 0.00 0.00 34.13 29.65 1c2y s GLU 3 CO -0.26 -3.08 1.10 -0.51 0.02 0.00 0.00 175.26 172.52 1c2y s LEU 4 N 10.54 4.70 0.18 1.80 1.43 -1.26 -4.99 118.68 131.08 1c2y s LEU 4 Ca 0.79 -1.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1c2y s LEU 4 Cb -0.13 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1c2y s LEU 4 CO 0.19 -1.23 -0.03 -0.70 0.23 0.00 0.00 176.35 174.81 1c2y s GLU 5 N 3.34 2.29 1.03 1.70 2.12 -1.26 -5.05 118.70 122.87 1c2y s GLU 5 Ca 0.30 -1.16 -0.16 0.00 0.36 0.00 0.00 54.97 54.31 1c2y s GLU 5 Cb -0.09 -2.29 0.21 0.00 0.26 0.00 0.00 34.13 32.22 1c2y s GLU 5 CO -0.03 0.45 1.18 0.20 -0.54 0.00 0.00 175.26 176.52 1c2y s GLY 6 N -2.90 1.63 -0.12 -1.50 0.00 -1.26 -4.78 107.32 98.40 1c2y s GLY 6 Ca 0.27 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.16 1c2y s GLY 6 CO 0.17 -0.12 -0.21 -0.19 0.00 0.00 0.00 173.10 172.75 1c2y s TYR 7 N -3.33 2.50 -0.47 1.90 2.02 -1.26 -4.88 117.35 113.82 1c2y s TYR 7 Ca 0.69 -1.16 0.23 0.00 -0.37 0.00 0.00 57.07 56.46 1c2y s TYR 7 Cb -0.10 -1.70 0.17 0.00 -0.40 0.00 0.00 41.96 39.93 1c2y s TYR 7 CO 0.54 -0.52 1.18 -0.24 -1.57 0.00 0.00 175.55 174.94 1c2y h VAL 8 N 5.81 0.00 0.05 0.71 3.04 -1.93 -3.36 116.25 120.57 1c2y h VAL 8 Ca -0.28 -0.71 -0.25 0.00 -1.01 0.00 0.00 66.70 64.45 1c2y h VAL 8 Cb 1.20 1.23 0.01 0.00 -2.01 0.00 0.00 31.29 31.72 1c2y h VAL 8 CO 0.51 0.00 -1.07 0.74 -1.01 0.00 0.00 177.57 176.75 1c2y h THR 9 N 0.00 1.40 -0.35 3.17 2.02 -1.94 -3.34 112.91 113.86 1c2y h THR 9 Ca 0.00 -2.58 -0.26 0.00 0.77 0.00 0.00 66.41 64.34 1c2y h THR 9 Cb 0.85 2.59 -0.10 0.00 -1.74 0.00 0.00 68.15 69.75 1c2y h THR 9 CO 0.00 0.77 -0.02 2.29 0.37 0.00 0.00 175.52 178.93 1c2y n LYS 10 N -3.71 1.93 0.00 6.66 2.85 -1.26 -4.73 118.16 119.90 1c2y n LYS 10 Ca -0.09 -1.28 0.00 0.00 -1.05 0.00 0.00 58.31 55.90 1c2y n LYS 10 Cb 0.91 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 1c2y n LYS 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c2y n ALA 11 N 1.64 0.00 0.00 0.58 0.00 -1.26 -4.42 120.51 117.05 1c2y n ALA 11 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1c2y n ALA 11 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1c2y n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c2y n GLN 12 N -0.41 0.00 0.30 0.00 0.00 -1.25 0.12 117.38 116.14 1c2y n GLN 12 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.00 57.18 1c2y n GLN 12 Cb 0.00 0.00 0.93 0.00 0.00 0.00 0.00 30.24 31.17 1c2y n GLN 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1c2y h SER 13 N 0.00 0.00 -3.72 2.61 4.64 -1.88 -3.15 113.55 112.05 1c2y h SER 13 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1c2y h SER 13 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1c2y h SER 13 CO 0.00 0.04 0.20 -0.36 -0.87 0.00 0.00 176.83 175.83 1c2y s PHE 14 N -4.13 3.26 -0.13 4.77 0.40 0.12 -5.06 117.98 117.20 1c2y s PHE 14 Ca -0.03 0.68 0.02 0.00 -0.60 0.00 0.00 56.93 56.99 1c2y s PHE 14 Cb 0.13 -2.77 0.01 0.00 0.51 0.00 0.00 43.02 40.90 1c2y s PHE 14 CO 0.51 -0.86 -0.18 0.50 0.70 0.00 0.00 175.22 175.89 1c2y s ARG 15 N -5.02 2.62 0.31 0.44 6.06 -1.26 -4.62 118.95 117.48 1c2y s ARG 15 Ca 0.54 -0.70 0.06 0.00 -2.50 0.00 0.00 55.73 53.13 1c2y s ARG 15 Cb -0.11 -2.19 -0.06 0.00 0.06 0.00 0.00 34.95 32.65 1c2y s ARG 15 CO 0.46 -0.07 -0.01 -0.06 -2.50 0.00 0.00 175.30 173.11 1c2y s PHE 16 N 0.99 2.01 -0.05 5.12 0.08 -1.26 0.19 117.98 125.06 1c2y s PHE 16 Ca -0.05 -0.78 -0.03 0.00 0.12 0.00 0.00 56.93 56.19 1c2y s PHE 16 Cb -0.15 -1.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1c2y s PHE 16 CO -0.03 0.21 0.12 0.00 -0.10 0.00 0.00 175.22 175.41 1c2y s ALA 17 N -3.08 -0.24 -0.08 5.36 0.00 -1.03 -2.95 121.76 119.74 1c2y s ALA 17 Ca 0.32 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.70 1c2y s ALA 17 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1c2y s ALA 17 CO 0.14 -0.09 -0.03 0.42 0.00 0.00 0.00 175.76 176.19 1c2y s ILE 18 N 0.48 4.01 -0.12 0.00 1.09 0.10 -0.56 121.20 126.20 1c2y s ILE 18 Ca -0.03 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.15 1c2y s ILE 18 Cb -0.05 -2.66 0.02 0.00 -1.06 0.00 0.00 42.46 38.71 1c2y s ILE 18 CO -0.02 0.60 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.62 1c2y s VAL 19 N -0.85 1.31 0.01 2.92 1.01 0.23 0.63 120.40 125.65 1c2y s VAL 19 Ca 0.13 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1c2y s VAL 19 Cb -0.11 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1c2y s VAL 19 CO 0.02 0.41 -0.18 0.68 0.00 0.00 0.00 175.10 176.03 1c2y s VAL 20 N 1.47 1.41 0.05 2.92 -7.23 0.33 -0.10 120.40 119.25 1c2y s VAL 20 Ca 0.02 -0.93 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 1c2y s VAL 20 Cb -0.13 -1.21 -0.06 0.00 0.56 0.00 0.00 36.38 35.54 1c2y s VAL 20 CO -0.08 0.26 0.58 0.00 -0.31 0.00 0.00 175.10 175.55 1c2y s ALA 21 N -0.61 3.56 0.24 1.32 0.00 -0.92 -0.73 121.76 124.63 1c2y s ALA 21 Ca 0.06 0.03 0.15 0.00 0.00 0.00 0.00 51.96 52.21 1c2y s ALA 21 Cb -0.08 -2.66 0.61 0.00 0.00 0.00 0.00 23.12 20.99 1c2y s ALA 21 CO 0.00 0.34 1.72 -0.09 0.00 0.00 0.00 175.76 177.73 1c2y h ARG 22 N 4.81 0.00 -6.57 0.00 2.43 0.68 -3.44 114.38 112.29 1c2y h ARG 22 Ca -0.48 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.10 1c2y h ARG 22 Cb 1.21 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.84 1c2y h ARG 22 CO 0.65 0.45 0.59 0.34 -1.51 0.00 0.00 179.97 180.48 1c2y n PHE 23 N -3.71 2.10 -2.75 2.20 -0.00 -0.28 -0.61 117.46 114.42 1c2y n PHE 23 Ca -0.01 0.45 -0.20 0.00 -0.00 0.00 0.00 57.45 57.70 1c2y n PHE 23 Cb 0.52 -2.45 0.02 0.00 -0.00 0.00 0.00 39.48 37.57 1c2y n PHE 23 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1c2y n ASN 24 N 2.10 -5.59 -0.33 -2.13 3.02 -1.26 -4.56 115.26 106.51 1c2y n ASN 24 Ca 0.12 -0.18 0.22 0.00 -0.03 0.00 0.00 54.58 54.71 1c2y n ASN 24 Cb 0.31 -4.49 0.42 0.00 -0.61 0.00 0.00 39.78 35.41 1c2y n ASN 24 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1c2y h GLU 25 N -0.84 0.01 -1.31 3.52 4.81 -1.14 0.31 114.58 119.93 1c2y h GLU 25 Ca -0.47 -0.00 0.39 0.00 -0.13 0.00 0.00 59.36 59.15 1c2y h GLU 25 Cb 1.33 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.61 1c2y h GLU 25 CO 0.51 0.01 0.89 0.35 -0.73 0.00 0.00 179.01 180.04 1c2y h PHE 26 N 0.01 0.35 0.00 0.92 3.04 -1.89 0.23 116.94 119.61 1c2y h PHE 26 Ca 0.71 0.01 -0.37 0.00 3.98 0.00 0.00 57.97 62.30 1c2y h PHE 26 Cb 1.66 -0.09 -0.06 0.00 2.56 0.00 0.00 35.95 40.02 1c2y h PHE 26 CO -0.29 -0.06 -2.19 0.28 -2.02 0.00 0.00 178.31 174.04 1c2y n VAL 27 N -4.44 1.52 -0.19 1.41 0.31 0.99 -4.39 118.33 113.54 1c2y n VAL 27 Ca 0.32 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1c2y n VAL 27 Cb 1.33 -1.98 0.10 0.00 -0.91 0.00 0.00 33.84 32.38 1c2y n VAL 27 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1c2y h THR 28 N -1.00 0.58 -0.41 2.52 1.35 -0.54 0.20 112.91 115.60 1c2y h THR 28 Ca -0.56 -0.06 0.07 0.00 -0.55 0.00 0.00 66.41 65.31 1c2y h THR 28 Cb 1.48 0.39 -0.09 0.00 -1.73 0.00 0.00 68.15 68.20 1c2y h THR 28 CO -0.34 0.03 -0.43 -0.09 -0.25 0.00 0.00 175.52 174.44 1c2y h ARG 29 N 0.17 -0.31 -0.11 4.72 9.65 -0.81 0.45 114.38 128.14 1c2y h ARG 29 Ca 0.31 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.25 1c2y h ARG 29 Cb 0.48 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.07 1c2y h ARG 29 CO -0.45 -0.21 -0.27 0.00 2.80 0.00 0.00 179.97 181.84 1c2y h ARG 30 N -0.32 -0.33 -0.60 0.20 2.47 -1.40 0.20 114.38 114.59 1c2y h ARG 30 Ca 0.14 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 58.99 1c2y h ARG 30 Cb 0.58 0.08 -0.12 0.00 -1.65 0.00 0.00 29.97 28.86 1c2y h ARG 30 CO -0.58 -0.22 -0.28 1.25 0.56 0.00 0.00 179.97 180.70 1c2y h LEU 31 N -0.35 -0.99 0.51 3.04 5.85 0.18 0.15 115.31 123.71 1c2y h LEU 31 Ca 0.09 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1c2y h LEU 31 Cb 0.49 0.52 0.01 0.00 0.37 0.00 0.00 40.66 42.04 1c2y h LEU 31 CO -0.31 -0.28 -0.25 -0.03 -0.34 0.00 0.00 178.44 177.24 1c2y h MET 32 N -0.12 -0.66 -1.05 1.25 4.05 0.84 -1.34 114.93 117.90 1c2y h MET 32 Ca 0.26 0.05 0.30 0.00 -0.28 0.00 0.00 59.70 60.02 1c2y h MET 32 Cb 0.53 0.15 -0.13 0.00 -0.80 0.00 0.00 31.60 31.36 1c2y h MET 32 CO -0.67 -0.41 0.63 0.93 0.23 0.00 0.00 176.91 177.62 1c2y h GLU 33 N -0.75 0.38 0.40 0.39 5.08 0.04 0.19 114.58 120.31 1c2y h GLU 33 Ca -0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1c2y h GLU 33 Cb 0.55 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1c2y h GLU 33 CO 0.12 0.25 -0.19 0.78 -1.00 0.00 0.00 179.01 178.96 1c2y h GLY 34 N 0.39 -0.56 0.36 -3.84 0.00 0.30 0.38 103.07 100.10 1c2y h GLY 34 Ca 0.68 0.21 0.06 0.00 0.00 0.00 0.00 47.33 48.28 1c2y h GLY 34 CO -0.47 -0.20 -0.10 0.00 0.00 0.00 0.00 176.54 175.77 1c2y h ALA 35 N -0.14 0.16 0.04 3.60 0.00 0.26 -0.35 119.26 122.83 1c2y h ALA 35 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1c2y h ALA 35 Cb 0.49 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1c2y h ALA 35 CO 0.09 -0.49 -0.33 1.25 0.00 0.00 0.00 179.25 179.77 1c2y h LEU 36 N -0.03 -1.02 -0.66 0.00 5.85 -0.65 -1.41 115.31 117.38 1c2y h LEU 36 Ca 0.15 0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1c2y h LEU 36 Cb 0.26 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 41.55 1c2y h LEU 36 CO -0.32 -0.34 -0.41 -0.78 -0.34 0.00 0.00 178.44 176.25 1c2y h ASP 37 N -0.45 -1.44 -0.86 1.25 1.82 -0.46 0.19 116.42 116.48 1c2y h ASP 37 Ca 0.00 0.25 0.21 0.00 -0.39 0.00 0.00 57.03 57.10 1c2y h ASP 37 Cb 0.47 0.68 -0.12 0.00 0.68 0.00 0.00 39.33 41.03 1c2y h ASP 37 CO -0.20 -0.32 0.32 0.74 -1.61 0.00 0.00 179.24 178.18 1c2y h THR 38 N -0.17 0.47 0.32 2.25 2.02 -0.41 0.31 112.91 117.70 1c2y h THR 38 Ca 0.22 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1c2y h THR 38 Cb 0.56 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1c2y h THR 38 CO -0.74 0.06 -0.45 -0.26 0.37 0.00 0.00 175.52 174.50 1c2y h PHE 39 N 0.35 -1.26 -0.31 3.16 0.04 0.43 0.29 116.94 119.65 1c2y h PHE 39 Ca 0.52 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.35 1c2y h PHE 39 Cb 0.98 0.51 -0.04 0.00 2.20 0.00 0.00 35.95 39.60 1c2y h PHE 39 CO -0.18 -0.59 0.08 0.87 -0.60 0.00 0.00 178.31 177.89 1c2y h LYS 40 N -0.82 0.19 -0.99 1.51 1.79 -0.84 0.21 116.57 117.62 1c2y h LYS 40 Ca -0.02 -0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.69 1c2y h LYS 40 Cb 0.77 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.30 1c2y h LYS 40 CO -0.14 0.13 0.67 -0.22 -1.08 0.00 0.00 179.45 178.81 1c2y h LYS 41 N 0.20 0.26 -1.32 3.15 3.64 0.21 0.62 116.57 123.33 1c2y h LYS 41 Ca 0.14 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.92 1c2y h LYS 41 Cb 0.14 -0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 31.66 1c2y h LYS 41 CO -0.17 0.17 0.75 0.66 -2.27 0.00 0.00 179.45 178.59 1c2y n TYR 42 N -4.46 2.67 -0.34 1.91 4.02 0.96 -4.88 117.16 117.04 1c2y n TYR 42 Ca 0.22 -2.61 0.00 0.00 -0.01 0.00 0.00 57.90 55.50 1c2y n TYR 42 Cb 0.89 -1.29 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 1c2y n TYR 42 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1c2y n SER 43 N -0.44 -1.21 -4.77 7.72 3.41 0.22 -4.19 113.62 114.37 1c2y n SER 43 Ca 0.53 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.74 1c2y n SER 43 Cb 0.58 -1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.00 1c2y n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1c2y s VAL 44 N -0.48 3.06 -0.27 -3.33 0.11 -0.98 -3.83 120.40 114.68 1c2y s VAL 44 Ca 0.00 1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 60.06 1c2y s VAL 44 Cb 0.00 -3.64 0.16 0.00 -1.53 0.00 0.00 36.38 31.37 1c2y s VAL 44 CO 0.00 0.21 0.49 0.21 -3.33 0.00 0.00 175.10 172.68 1c2y s ASN 45 N -0.77 -0.55 0.00 3.54 3.84 -1.19 -4.37 114.94 115.44 1c2y s ASN 45 Ca 0.49 0.57 0.00 0.00 0.21 0.00 0.00 52.86 54.14 1c2y s ASN 45 Cb -0.35 1.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.98 1c2y s ASN 45 CO 0.46 -0.28 0.73 1.21 -2.79 0.00 0.00 177.10 176.42 1c2y n GLU 46 N 5.40 0.00 -4.10 0.43 2.13 -1.26 -4.82 120.64 118.41 1c2y n GLU 46 Ca -0.03 -0.68 -0.29 0.00 0.66 0.00 0.00 57.16 56.82 1c2y n GLU 46 Cb 0.50 0.44 -0.08 0.00 0.27 0.00 0.00 31.44 32.58 1c2y n GLU 46 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1c2y n ASP 47 N 0.00 0.48 0.00 4.31 2.03 -1.26 -4.72 116.55 117.39 1c2y n ASP 47 Ca -0.19 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 53.98 1c2y n ASP 47 Cb 0.57 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1c2y n ASP 47 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1c2y n ILE 48 N -4.21 0.00 -2.69 5.18 -0.00 -1.26 -4.89 119.36 111.49 1c2y n ILE 48 Ca -0.28 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.06 1c2y n ILE 48 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.21 1c2y n ILE 48 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1c2y s ASP 49 N 0.00 7.41 -0.21 7.28 1.11 -1.15 -4.89 116.67 126.22 1c2y s ASP 49 Ca 0.00 1.77 -0.01 0.00 0.18 0.00 0.00 52.55 54.49 1c2y s ASP 49 Cb 0.00 -2.58 0.01 0.00 1.07 0.00 0.00 42.92 41.42 1c2y s ASP 49 CO 0.00 -0.17 -0.10 0.68 1.18 0.00 0.00 175.17 176.75 1c2y s VAL 50 N 0.43 2.76 -0.24 -1.27 -7.23 -1.26 0.03 120.40 113.64 1c2y s VAL 50 Ca 0.50 -0.80 -0.07 0.00 -1.81 0.00 0.00 61.98 59.80 1c2y s VAL 50 Cb -0.23 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1c2y s VAL 50 CO 0.29 0.41 0.07 -0.69 -0.31 0.00 0.00 175.10 174.87 1c2y s VAL 51 N 1.37 4.40 -0.12 1.32 1.01 0.20 -4.96 120.40 123.63 1c2y s VAL 51 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.69 1c2y s VAL 51 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1c2y s VAL 51 CO -0.07 0.36 0.50 0.26 0.00 0.00 0.00 175.10 176.15 1c2y s TRP 52 N 1.38 3.51 0.05 5.22 0.52 -1.26 -0.51 118.94 127.85 1c2y s TRP 52 Ca 0.05 0.91 0.06 0.00 0.02 0.00 0.00 56.10 57.15 1c2y s TRP 52 Cb -0.15 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.57 1c2y s TRP 52 CO 0.04 0.15 -0.18 0.14 0.02 0.00 0.00 176.95 177.12 1c2y s VAL 53 N 0.68 1.42 0.10 4.03 -7.23 0.10 -4.95 120.40 114.56 1c2y s VAL 53 Ca 0.27 -1.17 -0.22 0.00 -1.81 0.00 0.00 61.98 59.05 1c2y s VAL 53 Cb -0.15 -1.27 -0.11 0.00 0.56 0.00 0.00 36.38 35.40 1c2y s VAL 53 CO 0.11 0.07 1.75 1.55 -0.31 0.00 0.00 175.10 178.27 1c2y h PRO 54 N 4.76 0.10 -5.39 4.82 0.13 -1.94 0.18 132.00 134.66 1c2y h PRO 54 Ca -0.41 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.31 1c2y h PRO 54 Cb 1.17 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 1c2y h PRO 54 CO 0.43 0.06 -0.74 0.20 -0.23 0.00 0.00 178.00 177.73 1c2y s GLY 55 N -2.28 1.23 0.46 1.56 0.00 -1.26 -1.12 107.32 105.91 1c2y s GLY 55 Ca -0.13 -1.51 0.21 0.00 0.00 0.00 0.00 44.72 43.28 1c2y s GLY 55 CO 0.67 -1.60 1.91 0.00 0.00 0.00 0.00 173.10 174.08 1c2y h ALA 56 N 2.89 2.34 -0.65 3.20 0.00 -1.92 0.11 119.26 125.22 1c2y h ALA 56 Ca -0.38 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.64 1c2y h ALA 56 Cb 1.20 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1c2y h ALA 56 CO 0.59 -0.57 0.22 -0.92 0.00 0.00 0.00 179.25 178.58 1c2y h TYR 57 N 0.27 0.38 -0.81 0.00 5.03 -1.93 -1.27 116.97 118.64 1c2y h TYR 57 Ca 0.39 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.86 1c2y h TYR 57 Cb 1.13 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 39.29 1c2y h TYR 57 CO -0.00 0.05 0.53 0.93 -1.32 0.00 0.00 178.16 178.35 1c2y h GLU 58 N 0.38 0.60 -0.80 1.82 3.07 -1.19 -3.05 114.58 115.40 1c2y h GLU 58 Ca 0.34 -0.04 0.16 0.00 -0.50 0.00 0.00 59.36 59.32 1c2y h GLU 58 Cb 0.48 -0.13 -0.15 0.00 -0.84 0.00 0.00 28.75 28.10 1c2y h GLU 58 CO -0.36 0.40 -0.20 1.28 -1.40 0.00 0.00 179.01 178.72 1c2y n LEU 59 N -4.52 -0.30 0.00 1.33 4.77 -0.48 -2.54 117.00 115.27 1c2y n LEU 59 Ca 0.15 1.37 0.00 0.00 -0.03 0.00 0.00 56.01 57.50 1c2y n LEU 59 Cb 0.43 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1c2y n LEU 59 CO 0.31 -1.32 0.30 0.61 -1.33 0.00 0.00 177.39 175.97 1c2y n GLY 60 N -1.50 -3.56 0.26 -0.72 0.00 -1.15 -0.33 105.19 98.19 1c2y n GLY 60 Ca 0.13 0.73 -0.01 0.00 0.00 0.00 0.00 46.02 46.86 1c2y n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1c2y h VAL 61 N 0.00 0.96 -0.30 1.61 -1.51 -1.76 0.12 116.25 115.38 1c2y h VAL 61 Ca 0.00 -0.23 0.06 0.00 -1.23 0.00 0.00 66.70 65.30 1c2y h VAL 61 Cb 0.00 0.22 -0.06 0.00 -2.13 0.00 0.00 31.29 29.32 1c2y h VAL 61 CO 0.00 0.12 -0.10 0.74 -1.23 0.00 0.00 177.57 177.10 1c2y h THR 62 N 0.68 0.64 0.31 7.19 2.02 -1.17 0.27 112.91 122.85 1c2y h THR 62 Ca 0.30 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 1c2y h THR 62 Cb 0.20 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1c2y h THR 62 CO -0.19 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.55 1c2y h ALA 63 N 1.23 -0.42 -0.71 6.16 0.00 -0.07 -1.82 119.26 123.63 1c2y h ALA 63 Ca 0.15 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1c2y h ALA 63 Cb 0.27 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1c2y h ALA 63 CO -0.33 -0.70 -0.35 0.94 0.00 0.00 0.00 179.25 178.81 1c2y n GLN 64 N -5.24 -0.24 0.00 0.00 -0.06 0.37 0.37 117.38 112.58 1c2y n GLN 64 Ca -0.10 1.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.97 1c2y n GLN 64 Cb 0.20 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 1c2y n GLN 64 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1c2y n ALA 65 N -3.55 -0.36 -0.32 1.69 0.00 0.81 -1.16 120.51 117.62 1c2y n ALA 65 Ca 0.04 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.79 1c2y n ALA 65 Cb 0.23 0.07 0.57 0.00 0.00 0.00 0.00 19.45 20.32 1c2y n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1c2y h LEU 66 N 0.00 0.36 0.28 0.00 3.38 -0.26 0.58 115.31 119.65 1c2y h LEU 66 Ca 0.00 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1c2y h LEU 66 Cb 0.00 0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1c2y h LEU 66 CO 0.00 -0.38 -0.13 1.23 0.09 0.00 0.00 178.44 179.25 1c2y h GLY 67 N 0.07 -0.39 2.00 0.83 0.00 0.18 -2.81 103.07 102.94 1c2y h GLY 67 Ca 0.83 0.14 0.00 0.00 0.00 0.00 0.00 47.33 48.30 1c2y h GLY 67 CO -0.73 -0.14 0.00 0.50 0.00 0.00 0.00 176.54 176.17 1c2y h LYS 68 N -0.59 0.00 0.00 4.80 1.57 0.16 -1.20 116.57 121.31 1c2y h LYS 68 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1c2y h LYS 68 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1c2y h LYS 68 CO 0.06 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.81 1c2y n SER 69 N -3.08 0.00 0.00 0.86 3.41 -0.12 -4.79 113.62 109.90 1c2y n SER 69 Ca -0.01 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1c2y n SER 69 Cb 0.17 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1c2y n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2y n GLY 70 N -0.40 0.00 0.12 5.00 0.00 -0.45 -4.75 105.19 104.71 1c2y n GLY 70 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1c2y n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c2y h LYS 71 N 0.00 0.18 -6.21 1.61 1.57 -1.81 -3.46 116.57 108.46 1c2y h LYS 71 Ca 0.00 -0.20 -0.54 0.00 -1.87 0.00 0.00 60.65 58.04 1c2y h LYS 71 Cb 0.49 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 1c2y h LYS 71 CO 0.00 0.94 -0.60 0.71 -0.57 0.00 0.00 179.45 179.93 1c2y s TYR 72 N -3.22 2.87 -0.13 -1.35 1.51 -1.26 -4.80 117.35 110.97 1c2y s TYR 72 Ca -0.03 -0.17 0.19 0.00 -1.01 0.00 0.00 57.07 56.05 1c2y s TYR 72 Cb 0.10 -1.29 -0.19 0.00 -0.11 0.00 0.00 41.96 40.47 1c2y s TYR 72 CO 0.82 0.58 0.62 0.72 -1.11 0.00 0.00 175.55 177.18 1c2y n HIS 73 N -0.93 0.55 -3.63 2.71 8.25 0.13 -4.94 115.22 117.36 1c2y n HIS 73 Ca -0.07 0.18 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 1c2y n HIS 73 Cb 0.58 -0.91 -0.07 0.00 1.12 0.00 0.00 29.99 30.71 1c2y n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c2y s ALA 74 N -3.04 -1.79 -0.07 -1.41 0.00 -1.25 -4.21 121.76 109.99 1c2y s ALA 74 Ca -0.05 2.04 0.05 0.00 0.00 0.00 0.00 51.96 54.00 1c2y s ALA 74 Cb 0.10 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1c2y s ALA 74 CO 0.84 -0.34 -0.23 0.96 0.00 0.00 0.00 175.76 176.99 1c2y s ILE 75 N 0.44 1.94 -0.15 0.00 -0.00 -0.36 -2.46 121.20 120.59 1c2y s ILE 75 Ca -0.00 -0.99 -0.03 0.00 -0.00 0.00 0.00 60.65 59.63 1c2y s ILE 75 Cb -0.05 -1.65 -0.02 0.00 -0.00 0.00 0.00 42.46 40.73 1c2y s ILE 75 CO -0.00 0.54 -0.06 0.54 -0.00 0.00 0.00 174.94 175.95 1c2y s VAL 76 N 0.02 3.68 -0.16 8.37 0.11 0.28 -0.34 120.40 132.35 1c2y s VAL 76 Ca -0.08 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1c2y s VAL 76 Cb -0.15 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.08 1c2y s VAL 76 CO 0.05 0.50 -0.03 0.00 -3.33 0.00 0.00 175.10 172.28 1c2y s LEU 78 N 0.49 2.35 -0.06 0.00 1.02 0.85 0.03 118.68 123.36 1c2y s LEU 78 Ca -0.03 -0.58 -0.32 0.00 0.02 0.00 0.00 54.13 53.22 1c2y s LEU 78 Cb -0.14 -1.35 0.14 0.00 0.02 0.00 0.00 46.19 44.85 1c2y s LEU 78 CO 0.03 0.23 1.37 -0.83 0.02 0.00 0.00 176.35 177.17 1c2y s GLY 79 N -1.54 -0.46 -0.17 -3.19 0.00 -1.03 -2.17 107.32 98.75 1c2y s GLY 79 Ca 0.13 0.83 -0.07 0.00 0.00 0.00 0.00 44.72 45.61 1c2y s GLY 79 CO 0.04 0.26 0.37 0.00 0.00 0.00 0.00 173.10 173.78 1c2y s ALA 80 N -2.20 -0.96 -0.29 3.20 0.00 -1.26 -0.31 121.76 119.94 1c2y s ALA 80 Ca 0.15 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.48 1c2y s ALA 80 Cb 0.06 -1.09 0.09 0.00 0.00 0.00 0.00 23.12 22.18 1c2y s ALA 80 CO -0.05 -0.54 0.03 0.54 0.00 0.00 0.00 175.76 175.73 1c2y s VAL 81 N 2.11 1.55 0.09 0.00 0.11 0.28 -4.72 120.40 119.83 1c2y s VAL 81 Ca -0.04 -1.63 -0.25 0.00 -2.93 0.00 0.00 61.98 57.13 1c2y s VAL 81 Cb -0.11 -2.03 -0.06 0.00 -1.53 0.00 0.00 36.38 32.65 1c2y s VAL 81 CO -0.12 -0.44 0.76 0.68 -3.33 0.00 0.00 175.10 172.65 1c2y s VAL 82 N 1.31 4.61 -1.07 2.04 -7.23 -1.26 -3.89 120.40 114.90 1c2y s VAL 82 Ca 0.04 1.64 -0.24 0.00 -1.81 0.00 0.00 61.98 61.61 1c2y s VAL 82 Cb -0.18 -4.11 -0.10 0.00 0.56 0.00 0.00 36.38 32.54 1c2y s VAL 82 CO -0.13 0.43 2.00 -0.75 -0.31 0.00 0.00 175.10 176.34 1c2y s LYS 83 N -0.48 2.22 -0.03 4.82 2.20 0.38 -4.72 119.74 124.13 1c2y s LYS 83 Ca 0.37 -0.72 -0.16 0.00 -0.36 0.00 0.00 55.97 55.10 1c2y s LYS 83 Cb -0.21 -5.12 -0.09 0.00 -1.51 0.00 0.00 37.83 30.90 1c2y s LYS 83 CO 0.24 -4.13 0.66 0.78 -0.36 0.00 0.00 175.35 172.54 1c2y h GLY 84 N 18.90 -0.59 0.00 5.54 0.00 -1.91 -3.42 103.07 121.59 1c2y h GLY 84 Ca 0.14 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1c2y h GLY 84 CO 1.17 -0.21 0.00 1.22 0.00 0.00 0.00 176.54 178.72 1c2y n ASP 85 N -5.01 0.00 -3.94 0.19 8.00 -1.26 -5.11 116.55 109.42 1c2y n ASP 85 Ca -0.07 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.13 1c2y n ASP 85 Cb 0.22 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.55 1c2y n ASP 85 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c2y s THR 86 N 0.22 1.67 -0.92 -3.53 -4.23 -1.26 -4.91 115.64 102.68 1c2y s THR 86 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1c2y s THR 86 Cb 0.00 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.38 1c2y s THR 86 CO 0.00 0.00 1.22 -1.54 -0.54 0.00 0.00 174.62 173.76 1c2y n SER 87 N -4.62 0.07 -0.32 3.99 3.41 -1.26 -1.78 113.62 113.10 1c2y n SER 87 Ca 0.12 0.53 0.18 0.00 -0.26 0.00 0.00 58.87 59.44 1c2y n SER 87 Cb 0.59 -0.54 0.39 0.00 -0.26 0.00 0.00 64.21 64.39 1c2y n SER 87 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1c2y h HIS 88 N 0.00 0.70 -0.22 7.33 6.17 -1.99 1.18 115.15 128.32 1c2y h HIS 88 Ca 0.00 0.04 0.02 0.00 0.71 0.00 0.00 60.37 61.15 1c2y h HIS 88 Cb 0.09 -0.16 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 1c2y h HIS 88 CO 0.00 -0.16 -0.26 -0.92 0.71 0.00 0.00 177.93 177.30 1c2y h TYR 89 N 0.31 -0.79 -0.38 5.26 3.20 -1.71 0.38 116.97 123.24 1c2y h TYR 89 Ca 0.65 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.60 1c2y h TYR 89 Cb 1.38 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.95 1c2y h TYR 89 CO -0.12 -0.22 -0.52 -0.44 -1.64 0.00 0.00 178.16 175.23 1c2y h ASP 90 N -0.16 -1.74 -0.58 -2.11 3.32 0.11 0.19 116.42 115.46 1c2y h ASP 90 Ca 0.04 0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.37 1c2y h ASP 90 Cb 0.26 0.71 -0.07 0.00 0.22 0.00 0.00 39.33 40.45 1c2y h ASP 90 CO -0.29 -0.38 -0.34 0.00 -1.72 0.00 0.00 179.24 176.51 1c2y n ALA 91 N -3.05 -0.37 0.27 3.45 0.00 -0.01 0.38 120.51 121.18 1c2y n ALA 91 Ca -0.03 0.49 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 1c2y n ALA 91 Cb 0.32 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 1c2y n ALA 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c2y h VAL 92 N 0.00 0.00 -0.93 0.00 2.07 -0.10 -1.25 116.25 116.05 1c2y h VAL 92 Ca 0.09 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.86 1c2y h VAL 92 Cb 0.24 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.84 1c2y h VAL 92 CO -0.54 0.00 0.05 0.58 0.02 0.00 0.00 177.57 177.68 1c2y h VAL 93 N -0.89 0.12 0.66 2.57 2.07 0.10 0.73 116.25 121.61 1c2y h VAL 93 Ca -0.06 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1c2y h VAL 93 Cb 0.76 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1c2y h VAL 93 CO -0.03 0.01 -0.32 0.78 0.02 0.00 0.00 177.57 178.03 1c2y h ASN 94 N 0.05 -0.75 -0.58 0.57 2.35 0.34 -0.15 115.58 117.42 1c2y h ASN 94 Ca 0.56 -0.01 0.12 0.00 -0.55 0.00 0.00 56.30 56.42 1c2y h ASN 94 Cb 1.12 0.19 -0.10 0.00 0.05 0.00 0.00 38.32 39.59 1c2y h ASN 94 CO -0.84 -0.40 0.00 0.28 -1.65 0.00 0.00 177.43 174.83 1c2y h SER 95 N -1.13 -0.25 0.14 5.81 0.02 0.23 0.67 113.55 119.03 1c2y h SER 95 Ca -0.09 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1c2y h SER 95 Cb 0.71 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1c2y h SER 95 CO 0.15 -0.10 -0.23 0.00 -1.14 0.00 0.00 176.83 175.51 1c2y h ALA 96 N 1.52 -0.84 -0.19 3.77 0.00 0.44 0.57 119.26 124.52 1c2y h ALA 96 Ca 0.30 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1c2y h ALA 96 Cb 0.47 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1c2y h ALA 96 CO -0.49 -0.88 -0.53 1.03 0.00 0.00 0.00 179.25 178.38 1c2y h SER 97 N -0.39 -1.70 -0.57 0.00 0.87 0.14 -1.10 113.55 110.79 1c2y h SER 97 Ca -0.02 0.21 0.12 0.00 -1.23 0.00 0.00 61.79 60.87 1c2y h SER 97 Cb 0.36 0.68 -0.10 0.00 -0.44 0.00 0.00 62.40 62.90 1c2y h SER 97 CO -0.07 -0.46 -0.02 -1.28 -0.53 0.00 0.00 176.83 174.47 1c2y h SER 98 N -0.53 -0.28 0.17 6.23 0.87 0.46 -0.81 113.55 119.65 1c2y h SER 98 Ca 0.05 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1c2y h SER 98 Cb 0.66 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 1c2y h SER 98 CO -0.47 -0.11 -0.49 1.23 -0.53 0.00 0.00 176.83 176.46 1c2y h GLY 99 N 0.10 -1.18 0.32 5.77 0.00 0.13 0.20 103.07 108.42 1c2y h GLY 99 Ca 0.29 0.63 0.17 0.00 0.00 0.00 0.00 47.33 48.42 1c2y h GLY 99 CO -0.50 -0.30 0.61 -2.08 0.00 0.00 0.00 176.54 174.27 1c2y h VAL 100 N -0.74 0.78 0.26 4.60 2.07 -0.89 0.26 116.25 122.59 1c2y h VAL 100 Ca -0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1c2y h VAL 100 Cb 0.72 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1c2y h VAL 100 CO -0.23 0.14 -0.12 0.25 0.02 0.00 0.00 177.57 177.62 1c2y h LEU 101 N 0.75 -0.29 -0.93 2.57 5.85 -0.05 -1.82 115.31 121.38 1c2y h LEU 101 Ca 0.52 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.45 1c2y h LEU 101 Cb 0.81 0.08 -0.17 0.00 0.37 0.00 0.00 40.66 41.75 1c2y h LEU 101 CO -0.28 -0.20 -0.13 0.28 -0.34 0.00 0.00 178.44 177.77 1c2y h SER 102 N -0.37 -0.69 0.06 1.25 0.02 0.21 0.18 113.55 114.21 1c2y h SER 102 Ca -0.04 0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1c2y h SER 102 Cb 0.27 0.52 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 1c2y h SER 102 CO 0.06 -0.31 -0.42 0.00 -1.14 0.00 0.00 176.83 175.03 1c2y h ALA 103 N 1.92 -0.89 -0.59 3.77 0.00 -0.43 0.39 119.26 123.43 1c2y h ALA 103 Ca 0.49 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.43 1c2y h ALA 103 Cb 0.85 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 19.35 1c2y h ALA 103 CO -0.91 -1.00 -0.16 0.78 0.00 0.00 0.00 179.25 177.96 1c2y h GLY 104 N -0.57 0.39 0.93 0.00 0.00 0.20 0.34 103.07 104.37 1c2y h GLY 104 Ca -0.00 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1c2y h GLY 104 CO -0.24 -0.23 -0.26 1.41 0.00 0.00 0.00 176.54 177.21 1c2y h LEU 105 N -0.01 -0.63 -0.77 3.11 -0.00 -0.39 0.41 115.31 117.03 1c2y h LEU 105 Ca 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1c2y h LEU 105 Cb 0.44 0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.23 1c2y h LEU 105 CO -0.61 -0.39 0.48 0.78 -0.00 0.00 0.00 178.44 178.70 1c2y h ASN 106 N -0.82 0.91 1.77 -0.43 2.35 0.36 -2.09 115.58 117.65 1c2y h ASN 106 Ca -0.08 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1c2y h ASN 106 Cb 0.60 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1c2y h ASN 106 CO 0.12 0.69 -0.15 0.77 -1.65 0.00 0.00 177.43 177.21 1c2y h SER 107 N 1.05 0.00 -0.18 5.81 4.64 -0.30 -3.46 113.55 121.12 1c2y h SER 107 Ca 0.28 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.52 1c2y h SER 107 Cb -0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1c2y h SER 107 CO -0.06 0.15 -0.07 0.61 -0.87 0.00 0.00 176.83 176.60 1c2y n GLY 108 N 1.05 0.59 3.35 -0.77 0.00 0.14 -4.84 105.19 104.71 1c2y n GLY 108 Ca 0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1c2y n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c2y s VAL 109 N -1.83 2.78 0.05 1.61 1.01 -1.01 -5.02 120.40 118.00 1c2y s VAL 109 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1c2y s VAL 109 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 1c2y s VAL 109 CO 0.00 0.55 1.91 -2.65 0.00 0.00 0.00 175.10 174.91 1c2y n PRO 110 N 3.27 2.73 -4.05 2.72 -0.02 -1.26 -4.09 135.00 134.30 1c2y n PRO 110 Ca -0.18 1.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.97 1c2y n PRO 110 Cb 0.53 -2.91 -0.15 0.00 -0.02 0.00 0.00 33.50 30.94 1c2y n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1c2y s VAL 112 N 1.20 4.83 -1.19 0.00 1.01 0.54 -4.85 120.40 121.94 1c2y s VAL 112 Ca -0.04 1.95 -0.18 0.00 0.00 0.00 0.00 61.98 63.72 1c2y s VAL 112 Cb -0.18 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.03 1c2y s VAL 112 CO -0.07 0.05 1.54 0.12 0.00 0.00 0.00 175.10 176.75 1c2y s PHE 113 N 1.76 2.98 -0.91 5.22 5.36 -1.26 -0.44 117.98 130.68 1c2y s PHE 113 Ca 0.47 -1.62 -0.00 0.00 -0.96 0.00 0.00 56.93 54.82 1c2y s PHE 113 Cb -0.19 -4.57 0.33 0.00 -0.34 0.00 0.00 43.02 38.26 1c2y s PHE 113 CO 0.19 -1.68 1.76 0.41 -1.46 0.00 0.00 175.22 174.44 1c2y n GLY 114 N 5.29 5.92 3.16 13.12 0.00 0.10 -4.95 105.19 127.84 1c2y n GLY 114 Ca 0.40 -2.58 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 1c2y n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c2y s VAL 115 N -4.60 1.76 0.26 1.61 0.11 -1.25 -2.47 120.40 115.82 1c2y s VAL 115 Ca 0.44 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 1c2y s VAL 115 Cb 0.27 -1.54 -0.09 0.00 -1.53 0.00 0.00 36.38 33.50 1c2y s VAL 115 CO -0.21 0.49 1.03 -0.76 -3.33 0.00 0.00 175.10 172.33 1c2y s LEU 116 N 0.40 4.59 -0.32 2.54 1.43 0.57 -4.92 118.68 122.98 1c2y s LEU 116 Ca -0.16 2.14 0.17 0.00 -1.03 0.00 0.00 54.13 55.25 1c2y s LEU 116 Cb -0.17 -3.63 0.47 0.00 0.03 0.00 0.00 46.19 42.89 1c2y s LEU 116 CO 0.07 -0.02 1.02 0.35 0.23 0.00 0.00 176.35 177.99 1c2y n THR 117 N 1.30 1.28 -2.09 5.49 -2.24 -1.26 -0.55 114.28 116.21 1c2y n THR 117 Ca -0.01 -3.28 -0.27 0.00 -2.27 0.00 0.00 64.05 58.21 1c2y n THR 117 Cb 0.46 0.52 0.09 0.00 -2.10 0.00 0.00 70.33 69.31 1c2y n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c2y n ASP 119 N -3.16 0.00 -4.88 0.00 8.00 -1.26 -1.81 116.55 113.44 1c2y n ASP 119 Ca 0.09 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.69 1c2y n ASP 119 Cb 0.60 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 1c2y n ASP 119 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1c2y s ASN 120 N -2.62 6.58 0.21 -2.24 2.20 -1.26 -0.47 114.94 117.34 1c2y s ASN 120 Ca 0.00 0.96 -0.13 0.00 -0.94 0.00 0.00 52.86 52.76 1c2y s ASN 120 Cb 0.00 -2.25 0.26 0.00 -2.00 0.00 0.00 41.25 37.26 1c2y s ASN 120 CO 0.00 -0.19 1.63 -0.03 -2.94 0.00 0.00 177.10 175.58 1c2y h MET 121 N 2.02 0.03 -0.55 3.55 1.85 -1.94 -2.13 114.93 117.76 1c2y h MET 121 Ca -0.47 -0.00 0.11 0.00 -0.61 0.00 0.00 59.70 58.73 1c2y h MET 121 Cb 1.18 -0.01 -0.10 0.00 0.43 0.00 0.00 31.60 33.11 1c2y h MET 121 CO 0.67 0.02 -0.04 0.22 -0.40 0.00 0.00 176.91 177.38 1c2y h ASP 122 N 0.03 -0.32 -0.66 1.39 1.82 -1.99 0.27 116.42 116.96 1c2y h ASP 122 Ca 0.31 0.14 0.11 0.00 -0.39 0.00 0.00 57.03 57.20 1c2y h ASP 122 Cb 0.49 0.27 -0.08 0.00 0.68 0.00 0.00 39.33 40.69 1c2y h ASP 122 CO -0.62 -0.12 0.26 1.56 -1.61 0.00 0.00 179.24 178.70 1c2y h GLN 123 N 0.08 0.42 0.34 0.28 4.20 -1.79 -1.29 115.11 117.34 1c2y h GLN 123 Ca 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1c2y h GLN 123 Cb 0.44 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1c2y h GLN 123 CO -0.50 0.28 -0.32 0.00 -0.67 0.00 0.00 178.83 177.62 1c2y h ALA 124 N 1.46 -0.69 -1.07 3.87 0.00 -0.97 -0.67 119.26 121.19 1c2y h ALA 124 Ca 0.34 -0.11 0.37 0.00 0.00 0.00 0.00 54.91 55.51 1c2y h ALA 124 Cb 0.45 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 1c2y h ALA 124 CO -0.33 -0.92 0.63 0.82 0.00 0.00 0.00 179.25 179.45 1c2y h ILE 125 N -0.68 0.20 -0.11 0.00 1.08 0.02 1.34 117.51 119.36 1c2y h ILE 125 Ca -0.02 -0.07 -0.12 0.00 -0.39 0.00 0.00 64.86 64.26 1c2y h ILE 125 Cb 0.61 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1c2y h ILE 125 CO -0.05 0.04 -0.48 0.78 -0.69 0.00 0.00 178.15 177.75 1c2y h ASN 126 N 0.20 0.29 1.68 1.72 2.35 -0.43 -2.13 115.58 119.26 1c2y h ASN 126 Ca 0.78 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.39 1c2y h ASN 126 Cb 2.01 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1c2y h ASN 126 CO -0.59 0.72 0.00 0.03 -1.65 0.00 0.00 177.43 175.94 1c2y h ARG 127 N 0.22 0.00 -2.14 0.81 2.47 0.23 0.09 114.38 116.07 1c2y h ARG 127 Ca 0.01 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.05 1c2y h ARG 127 Cb 0.92 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.02 1c2y h ARG 127 CO 0.08 0.00 1.05 0.00 0.56 0.00 0.00 179.97 181.65 1c2y n ALA 128 N -2.04 6.47 -0.46 0.04 0.00 -0.13 -0.08 120.51 124.31 1c2y n ALA 128 Ca 0.03 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1c2y n ALA 128 Cb 0.46 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1c2y n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2y n GLY 129 N 0.34 0.88 0.00 0.00 0.00 0.33 -4.84 105.19 101.90 1c2y n GLY 129 Ca 0.52 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1c2y n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c2y n GLY 130 N -2.12 2.09 0.00 -0.02 0.00 -0.03 -4.86 105.19 100.26 1c2y n GLY 130 Ca 0.00 -1.98 0.09 0.00 0.00 0.00 0.00 46.02 44.13 1c2y n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1c2y n LYS 131 N 0.00 0.54 -0.24 1.61 2.85 -1.25 -1.19 118.16 120.48 1c2y n LYS 131 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1c2y n LYS 131 Cb 0.00 -1.49 0.23 0.00 -0.65 0.00 0.00 35.03 33.11 1c2y n LYS 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c2y n ALA 132 N -0.99 2.35 0.00 0.58 0.00 -0.88 -5.06 120.51 116.51 1c2y n ALA 132 Ca 0.13 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1c2y n ALA 132 Cb 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1c2y n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2y n GLY 133 N 1.26 -1.06 2.60 0.00 0.00 -0.33 -4.67 105.19 102.99 1c2y n GLY 133 Ca 0.18 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 1c2y n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c2y s ASN 134 N -4.00 2.76 0.24 1.61 3.84 -1.14 0.12 114.94 118.37 1c2y s ASN 134 Ca 0.00 -0.89 -0.05 0.00 0.21 0.00 0.00 52.86 52.12 1c2y s ASN 134 Cb 0.00 -0.19 0.37 0.00 -0.55 0.00 0.00 41.25 40.88 1c2y s ASN 134 CO 0.00 -0.39 1.81 0.50 -2.79 0.00 0.00 177.10 176.22 1c2y h LYS 135 N 8.40 0.74 -0.24 0.43 3.64 -0.80 -1.68 116.57 127.05 1c2y h LYS 135 Ca -0.17 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1c2y h LYS 135 Cb 1.08 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 1c2y h LYS 135 CO 0.36 0.49 -0.44 0.78 -2.27 0.00 0.00 179.45 178.37 1c2y h GLY 136 N 0.76 -1.21 0.28 5.01 0.00 -1.81 0.46 103.07 106.57 1c2y h GLY 136 Ca 0.38 0.72 0.06 0.00 0.00 0.00 0.00 47.33 48.49 1c2y h GLY 136 CO -0.24 -0.26 -0.17 0.00 0.00 0.00 0.00 176.54 175.87 1c2y h ALA 137 N -0.40 0.00 -0.60 3.60 0.00 -1.61 -1.10 119.26 119.16 1c2y h ALA 137 Ca 0.04 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1c2y h ALA 137 Cb 0.49 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1c2y h ALA 137 CO -0.42 -0.58 0.10 0.93 0.00 0.00 0.00 179.25 179.27 1c2y h GLU 138 N -0.16 0.21 -0.43 0.00 5.08 -0.32 0.15 114.58 119.11 1c2y h GLU 138 Ca 0.14 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1c2y h GLU 138 Cb 0.36 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1c2y h GLU 138 CO -0.34 0.14 0.19 0.77 -1.00 0.00 0.00 179.01 178.78 1c2y h SER 139 N 0.22 0.26 0.40 1.42 0.02 0.10 0.83 113.55 116.80 1c2y h SER 139 Ca 0.32 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1c2y h SER 139 Cb 0.48 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1c2y h SER 139 CO -0.43 0.19 -0.41 0.00 -1.14 0.00 0.00 176.83 175.04 1c2y h ALA 140 N 1.25 -0.88 -0.73 3.77 0.00 0.13 0.23 119.26 123.03 1c2y h ALA 140 Ca 0.19 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.13 1c2y h ALA 140 Cb 0.13 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 1c2y h ALA 140 CO -0.16 -1.04 0.06 1.25 0.00 0.00 0.00 179.25 179.37 1c2y h LEU 141 N -0.83 -0.22 -0.41 0.00 7.12 -0.73 0.29 115.31 120.54 1c2y h LEU 141 Ca -0.03 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1c2y h LEU 141 Cb 0.74 0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 41.13 1c2y h LEU 141 CO -0.07 -0.13 0.26 0.74 -0.13 0.00 0.00 178.44 179.12 1c2y h THR 142 N 0.15 1.12 -0.46 1.05 2.02 0.14 -1.29 112.91 115.65 1c2y h THR 142 Ca 0.40 -0.24 0.09 0.00 0.77 0.00 0.00 66.41 67.44 1c2y h THR 142 Cb 0.70 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 67.56 1c2y h THR 142 CO -0.60 0.12 -0.21 0.00 0.37 0.00 0.00 175.52 175.20 1c2y h ALA 143 N 1.13 0.13 0.08 6.16 0.00 0.28 0.29 119.26 127.34 1c2y h ALA 143 Ca 0.15 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1c2y h ALA 143 Cb -0.04 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1c2y h ALA 143 CO -0.03 -0.56 -0.26 0.82 0.00 0.00 0.00 179.25 179.23 1c2y h ILE 144 N -0.11 0.00 -0.80 0.00 2.04 -0.63 0.13 117.51 118.13 1c2y h ILE 144 Ca 0.22 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.27 1c2y h ILE 144 Cb 0.45 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.41 1c2y h ILE 144 CO -0.53 0.00 0.20 -0.08 0.00 0.00 0.00 178.15 177.74 1c2y h GLU 145 N -0.38 0.24 -0.10 2.37 4.81 -0.12 0.52 114.58 121.92 1c2y h GLU 145 Ca -0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1c2y h GLU 145 Cb 0.37 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1c2y h GLU 145 CO -0.13 0.16 0.04 0.52 -0.73 0.00 0.00 179.01 178.87 1c2y h MET 146 N 0.25 0.15 0.22 1.92 2.86 0.14 0.23 114.93 120.70 1c2y h MET 146 Ca 0.47 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1c2y h MET 146 Cb 0.87 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1c2y h MET 146 CO -0.58 0.26 -0.42 0.00 1.06 0.00 0.00 176.91 177.23 1c2y h ALA 147 N 0.88 -0.98 -0.69 6.32 0.00 0.63 -0.34 119.26 125.09 1c2y h ALA 147 Ca 0.03 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1c2y h ALA 147 Cb 0.16 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 1c2y h ALA 147 CO -0.00 -1.05 -0.10 1.03 0.00 0.00 0.00 179.25 179.13 1c2y h SER 148 N -0.69 -0.50 -0.64 0.00 0.87 -0.85 0.40 113.55 112.13 1c2y h SER 148 Ca -0.02 0.19 0.13 0.00 -1.23 0.00 0.00 61.79 60.86 1c2y h SER 148 Cb 0.65 0.38 -0.09 0.00 -0.44 0.00 0.00 62.40 62.90 1c2y h SER 148 CO -0.16 -0.20 0.14 0.25 -0.53 0.00 0.00 176.83 176.33 1c2y h LEU 149 N 0.04 0.01 -1.89 2.23 5.85 0.39 0.47 115.31 122.41 1c2y h LEU 149 Ca 0.35 0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.25 1c2y h LEU 149 Cb 0.57 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1c2y h LEU 149 CO -0.67 -0.00 0.20 -0.26 -0.34 0.00 0.00 178.44 177.38 1c2y h PHE 150 N 0.27 0.13 -2.78 1.25 -1.00 0.15 0.30 116.94 115.26 1c2y h PHE 150 Ca 0.34 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.44 1c2y h PHE 150 Cb 0.53 -0.04 -0.37 0.00 3.61 0.00 0.00 35.95 39.68 1c2y h PHE 150 CO -0.25 0.07 -0.10 0.39 -1.61 0.00 0.00 178.31 176.81 1c2y n GLU 151 N -4.48 2.99 0.00 1.51 4.71 0.15 -0.55 120.64 124.98 1c2y n GLU 151 Ca 0.03 -4.57 0.00 0.00 -0.01 0.00 0.00 57.16 52.61 1c2y n GLU 151 Cb 0.27 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.33 1c2y n GLU 151 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1c2y n HIS 152 N 1.49 0.00 -0.12 -0.32 -0.00 -1.17 -4.90 115.22 110.21 1c2y n HIS 152 Ca 0.26 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.77 1c2y n HIS 152 Cb 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.29 1c2y n HIS 152 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1c2y n HIS 153 N 0.00 0.13 0.00 1.57 1.44 0.09 -4.93 115.22 113.52 1c2y n HIS 153 Ca 0.00 0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 1c2y n HIS 153 Cb 0.00 -0.82 0.00 0.00 0.12 0.00 0.00 29.99 29.29 1c2y n HIS 153 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1c2y n LEU 154 N -4.36 0.00 -0.52 2.39 7.94 0.29 -5.05 117.00 117.70 1c2y n LEU 154 Ca -0.36 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.60 1c2y n LEU 154 Cb 0.71 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.71 1c2y n LEU 154 CO 0.11 0.00 0.45 2.29 -1.11 0.00 0.00 177.39 179.13