#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 1.31 -0.60 6.12 4.22 -1.26 -5.09 114.94 119.64 1c2y s ASN 2 Ca 0.00 -1.09 -0.26 0.00 -2.14 0.00 0.00 52.86 49.37 1c2y s ASN 2 Cb 0.00 0.59 -0.06 0.00 1.28 0.00 0.00 41.25 43.06 1c2y s ASN 2 CO 0.00 -0.33 2.23 -1.61 -2.04 0.00 0.00 177.10 175.36 1c2y s GLU 3 N 1.96 2.19 -0.91 3.55 2.02 -1.26 -4.89 118.70 121.37 1c2y s GLU 3 Ca 0.13 0.95 -0.20 0.00 0.02 0.00 0.00 54.97 55.86 1c2y s GLU 3 Cb -0.14 -4.60 0.11 0.00 0.10 0.00 0.00 34.13 29.60 1c2y s GLU 3 CO -0.19 -3.32 1.17 -0.51 0.02 0.00 0.00 175.26 172.42 1c2y s LEU 4 N 11.64 4.65 0.17 1.80 1.43 -1.26 -4.98 118.68 132.13 1c2y s LEU 4 Ca 0.87 -1.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1c2y s LEU 4 Cb -0.14 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1c2y s LEU 4 CO 0.20 -1.21 0.00 -0.70 0.23 0.00 0.00 176.35 174.88 1c2y s GLU 5 N 3.33 2.42 1.10 1.70 2.12 -1.26 -5.04 118.70 123.06 1c2y s GLU 5 Ca 0.34 -1.09 -0.17 0.00 0.36 0.00 0.00 54.97 54.40 1c2y s GLU 5 Cb -0.06 -2.37 0.24 0.00 0.26 0.00 0.00 34.13 32.21 1c2y s GLU 5 CO -0.07 0.46 1.17 0.20 -0.54 0.00 0.00 175.26 176.49 1c2y s GLY 6 N -2.93 1.64 -0.11 -1.50 0.00 -1.26 -4.78 107.32 98.38 1c2y s GLY 6 Ca 0.27 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1c2y s GLY 6 CO 0.19 -0.15 -0.18 -0.19 0.00 0.00 0.00 173.10 172.77 1c2y s TYR 7 N -3.29 2.17 -0.38 1.90 2.02 -1.26 -4.89 117.35 113.61 1c2y s TYR 7 Ca 0.71 -1.01 0.23 0.00 -0.37 0.00 0.00 57.07 56.63 1c2y s TYR 7 Cb -0.09 -1.52 0.14 0.00 -0.40 0.00 0.00 41.96 40.09 1c2y s TYR 7 CO 0.55 -0.48 1.19 -0.24 -1.57 0.00 0.00 175.55 174.99 1c2y h VAL 8 N 5.90 0.00 0.01 0.71 3.04 -1.93 -3.36 116.25 120.62 1c2y h VAL 8 Ca -0.30 -0.84 -0.24 0.00 -1.01 0.00 0.00 66.70 64.31 1c2y h VAL 8 Cb 1.19 1.41 0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1c2y h VAL 8 CO 0.50 0.00 -1.00 0.74 -1.01 0.00 0.00 177.57 176.80 1c2y h THR 9 N 0.00 1.37 -0.34 3.17 2.02 -1.94 -3.34 112.91 113.85 1c2y h THR 9 Ca 0.00 -2.44 -0.25 0.00 0.77 0.00 0.00 66.41 64.49 1c2y h THR 9 Cb 0.92 2.45 -0.09 0.00 -1.74 0.00 0.00 68.15 69.69 1c2y h THR 9 CO 0.00 0.73 0.01 2.29 0.37 0.00 0.00 175.52 178.92 1c2y n LYS 10 N -3.76 1.86 0.00 6.66 2.85 -1.26 -4.72 118.16 119.80 1c2y n LYS 10 Ca -0.08 -1.22 0.00 0.00 -1.05 0.00 0.00 58.31 55.96 1c2y n LYS 10 Cb 0.86 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 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 1.55 0.00 0.00 0.58 0.00 -1.25 -4.40 120.51 116.99 1c2y n ALA 11 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1c2y n ALA 11 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.34 0.00 0.29 0.00 0.00 -1.25 0.16 117.38 116.24 1c2y n GLN 12 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 57.00 57.17 1c2y n GLN 12 Cb 0.00 0.00 0.88 0.00 0.00 0.00 0.00 30.24 31.12 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 -3.79 2.61 4.64 -1.88 -3.13 113.55 112.00 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 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1c2y h SER 13 CO 0.00 0.05 0.21 -0.36 -0.87 0.00 0.00 176.83 175.86 1c2y s PHE 14 N -4.12 3.37 -0.14 4.77 0.40 0.12 -5.06 117.98 117.32 1c2y s PHE 14 Ca -0.03 0.78 0.02 0.00 -0.60 0.00 0.00 56.93 57.10 1c2y s PHE 14 Cb 0.12 -2.67 0.01 0.00 0.51 0.00 0.00 43.02 40.99 1c2y s PHE 14 CO 0.52 -0.73 -0.20 0.50 0.70 0.00 0.00 175.22 176.02 1c2y s ARG 15 N -4.99 2.80 0.30 0.44 6.06 -1.26 -4.60 118.95 117.69 1c2y s ARG 15 Ca 0.53 -0.77 0.06 0.00 -2.50 0.00 0.00 55.73 53.05 1c2y s ARG 15 Cb -0.11 -2.33 -0.06 0.00 0.06 0.00 0.00 34.95 32.51 1c2y s ARG 15 CO 0.47 -0.09 -0.02 -0.06 -2.50 0.00 0.00 175.30 173.10 1c2y s PHE 16 N 1.02 1.99 -0.05 5.12 0.08 -1.26 0.23 117.98 125.11 1c2y s PHE 16 Ca -0.03 -0.78 -0.03 0.00 0.12 0.00 0.00 56.93 56.21 1c2y s PHE 16 Cb -0.15 -1.21 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 1c2y s PHE 16 CO -0.05 0.20 0.11 0.00 -0.10 0.00 0.00 175.22 175.39 1c2y s ALA 17 N -3.09 -0.25 -0.07 5.36 0.00 -1.04 -2.93 121.76 119.74 1c2y s ALA 17 Ca 0.32 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.68 1c2y s ALA 17 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1c2y s ALA 17 CO 0.13 -0.08 -0.04 0.42 0.00 0.00 0.00 175.76 176.19 1c2y s ILE 18 N 0.41 3.99 -0.14 0.00 1.09 0.80 -0.61 121.20 126.74 1c2y s ILE 18 Ca -0.03 -0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.15 1c2y s ILE 18 Cb -0.04 -2.65 0.02 0.00 -1.06 0.00 0.00 42.46 38.73 1c2y s ILE 18 CO -0.02 0.60 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.61 1c2y s VAL 19 N -0.85 1.42 0.01 2.92 1.01 0.54 0.34 120.40 125.79 1c2y s VAL 19 Ca 0.13 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1c2y s VAL 19 Cb -0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1c2y s VAL 19 CO 0.02 0.43 -0.18 0.68 0.00 0.00 0.00 175.10 176.05 1c2y s VAL 20 N 1.52 1.47 0.05 2.92 -7.23 0.55 -0.14 120.40 119.54 1c2y s VAL 20 Ca 0.04 -0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 59.07 1c2y s VAL 20 Cb -0.13 -1.25 -0.06 0.00 0.56 0.00 0.00 36.38 35.49 1c2y s VAL 20 CO -0.10 0.28 0.56 0.00 -0.31 0.00 0.00 175.10 175.53 1c2y s ALA 21 N -0.62 3.58 0.22 1.32 0.00 -0.92 -0.57 121.76 124.78 1c2y s ALA 21 Ca 0.06 0.01 0.17 0.00 0.00 0.00 0.00 51.96 52.21 1c2y s ALA 21 Cb -0.08 -2.64 0.69 0.00 0.00 0.00 0.00 23.12 21.09 1c2y s ALA 21 CO 0.00 0.36 1.75 -0.09 0.00 0.00 0.00 175.76 177.78 1c2y h ARG 22 N 4.77 0.00 -6.57 0.00 2.43 0.59 -3.44 114.38 112.16 1c2y h ARG 22 Ca -0.49 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.09 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 0.64 0.39 0.61 0.34 -1.51 0.00 0.00 179.97 180.44 1c2y n PHE 23 N -3.64 2.12 -2.71 2.20 -0.00 -0.35 -0.89 117.46 114.19 1c2y n PHE 23 Ca -0.01 0.44 -0.20 0.00 -0.00 0.00 0.00 57.45 57.68 1c2y n PHE 23 Cb 0.50 -2.45 0.02 0.00 -0.00 0.00 0.00 39.48 37.54 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 2.23 -5.61 -0.33 -2.13 3.02 -1.26 -4.56 115.26 106.61 1c2y n ASN 24 Ca 0.12 -0.16 0.22 0.00 -0.03 0.00 0.00 54.58 54.73 1c2y n ASN 24 Cb 0.31 -4.53 0.42 0.00 -0.61 0.00 0.00 39.78 35.37 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 -0.75 0.00 -1.33 3.52 4.81 -1.30 0.40 114.58 119.94 1c2y h GLU 25 Ca -0.47 -0.00 0.40 0.00 -0.13 0.00 0.00 59.36 59.16 1c2y h GLU 25 Cb 1.33 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.62 1c2y h GLU 25 CO 0.52 0.00 0.90 0.35 -0.73 0.00 0.00 179.01 180.05 1c2y h PHE 26 N 0.01 0.35 0.00 0.92 3.04 -1.89 0.22 116.94 119.58 1c2y h PHE 26 Ca 0.71 0.01 -0.45 0.00 3.98 0.00 0.00 57.97 62.22 1c2y h PHE 26 Cb 1.66 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 40.01 1c2y h PHE 26 CO -0.30 -0.06 -2.48 0.28 -2.02 0.00 0.00 178.31 173.73 1c2y n VAL 27 N -4.44 1.53 -0.18 1.41 0.31 0.13 -4.38 118.33 112.71 1c2y n VAL 27 Ca 0.33 -0.36 -0.01 0.00 -0.01 0.00 0.00 64.34 64.29 1c2y n VAL 27 Cb 1.35 -1.90 0.08 0.00 -0.91 0.00 0.00 33.84 32.46 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 0.57 -0.46 2.52 1.35 -0.38 0.17 112.91 115.69 1c2y h THR 28 Ca -0.67 -0.05 0.08 0.00 -0.55 0.00 0.00 66.41 65.22 1c2y h THR 28 Cb 1.59 0.42 -0.10 0.00 -1.73 0.00 0.00 68.15 68.34 1c2y h THR 28 CO -0.41 0.03 -0.40 -0.09 -0.25 0.00 0.00 175.52 174.39 1c2y h ARG 29 N 0.14 -0.27 -0.02 4.72 9.65 -0.86 0.42 114.38 128.16 1c2y h ARG 29 Ca 0.29 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.22 1c2y h ARG 29 Cb 0.44 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.03 1c2y h ARG 29 CO -0.45 -0.18 -0.30 0.00 2.80 0.00 0.00 179.97 181.84 1c2y h ARG 30 N -0.28 -0.41 -0.63 0.20 2.47 -1.39 0.20 114.38 114.54 1c2y h ARG 30 Ca 0.16 0.03 0.11 0.00 -1.26 0.00 0.00 59.98 59.02 1c2y h ARG 30 Cb 0.57 0.09 -0.12 0.00 -1.65 0.00 0.00 29.97 28.86 1c2y h ARG 30 CO -0.60 -0.28 -0.31 1.25 0.56 0.00 0.00 179.97 180.59 1c2y h LEU 31 N -0.43 -1.09 0.53 3.04 5.85 0.16 0.18 115.31 123.56 1c2y h LEU 31 Ca 0.07 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1c2y h LEU 31 Cb 0.53 0.56 0.01 0.00 0.37 0.00 0.00 40.66 42.12 1c2y h LEU 31 CO -0.27 -0.29 -0.26 -0.03 -0.34 0.00 0.00 178.44 177.25 1c2y h MET 32 N -0.13 -0.69 -1.01 1.25 4.05 0.72 -1.34 114.93 117.78 1c2y h MET 32 Ca 0.25 0.05 0.29 0.00 -0.28 0.00 0.00 59.70 60.02 1c2y h MET 32 Cb 0.55 0.16 -0.14 0.00 -0.80 0.00 0.00 31.60 31.37 1c2y h MET 32 CO -0.70 -0.44 0.59 0.93 0.23 0.00 0.00 176.91 177.52 1c2y h GLU 33 N -0.76 0.41 0.40 0.39 5.08 0.08 0.21 114.58 120.40 1c2y h GLU 33 Ca -0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1c2y h GLU 33 Cb 0.57 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1c2y h GLU 33 CO 0.12 0.27 -0.19 0.78 -1.00 0.00 0.00 179.01 178.99 1c2y h GLY 34 N 0.42 -0.56 0.30 -3.84 0.00 0.34 0.18 103.07 99.90 1c2y h GLY 34 Ca 0.70 0.21 0.06 0.00 0.00 0.00 0.00 47.33 48.30 1c2y h GLY 34 CO -0.54 -0.20 -0.12 0.00 0.00 0.00 0.00 176.54 175.68 1c2y h ALA 35 N -0.09 0.14 0.00 3.60 0.00 0.34 -0.15 119.26 123.09 1c2y h ALA 35 Ca -0.05 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1c2y h ALA 35 Cb 0.47 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1c2y h ALA 35 CO 0.09 -0.51 -0.33 1.25 0.00 0.00 0.00 179.25 179.75 1c2y h LEU 36 N -0.06 -1.02 -0.61 0.00 5.85 -0.70 -1.08 115.31 117.69 1c2y h LEU 36 Ca 0.15 0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.08 1c2y h LEU 36 Cb 0.30 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 1c2y h LEU 36 CO -0.35 -0.32 -0.43 -0.78 -0.34 0.00 0.00 178.44 176.23 1c2y h ASP 37 N -0.41 -1.47 -0.85 1.25 1.82 -0.50 0.22 116.42 116.48 1c2y h ASP 37 Ca 0.01 0.25 0.21 0.00 -0.39 0.00 0.00 57.03 57.10 1c2y h ASP 37 Cb 0.44 0.68 -0.13 0.00 0.68 0.00 0.00 39.33 41.01 1c2y h ASP 37 CO -0.22 -0.33 0.28 0.74 -1.61 0.00 0.00 179.24 178.10 1c2y h THR 38 N -0.20 0.43 0.28 2.25 2.02 -0.34 0.30 112.91 117.65 1c2y h THR 38 Ca 0.19 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1c2y h THR 38 Cb 0.56 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1c2y h THR 38 CO -0.71 0.05 -0.42 -0.26 0.37 0.00 0.00 175.52 174.56 1c2y h PHE 39 N 0.30 -1.16 -0.29 3.16 0.04 0.69 0.21 116.94 119.89 1c2y h PHE 39 Ca 0.51 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.35 1c2y h PHE 39 Cb 0.97 0.47 -0.04 0.00 2.20 0.00 0.00 35.95 39.56 1c2y h PHE 39 CO -0.22 -0.55 0.05 0.87 -0.60 0.00 0.00 178.31 177.87 1c2y h LYS 40 N -0.76 0.15 -0.96 1.51 1.79 -0.73 0.24 116.57 117.80 1c2y h LYS 40 Ca -0.01 -0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.70 1c2y h LYS 40 Cb 0.72 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 1c2y h LYS 40 CO -0.15 0.10 0.65 -0.22 -1.08 0.00 0.00 179.45 178.75 1c2y h LYS 41 N 0.15 0.26 -1.28 3.15 3.64 0.08 0.56 116.57 123.14 1c2y h LYS 41 Ca 0.14 -0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.92 1c2y h LYS 41 Cb 0.15 -0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 31.67 1c2y h LYS 41 CO -0.19 0.17 0.75 0.66 -2.27 0.00 0.00 179.45 178.58 1c2y n TYR 42 N -4.45 2.68 -0.33 1.91 4.02 0.80 -4.89 117.16 116.90 1c2y n TYR 42 Ca 0.21 -2.63 0.00 0.00 -0.01 0.00 0.00 57.90 55.47 1c2y n TYR 42 Cb 0.86 -1.30 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 -0.46 -1.08 -4.77 7.72 3.41 0.20 -4.18 113.62 114.46 1c2y n SER 43 Ca 0.53 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 1c2y n SER 43 Cb 0.59 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 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 2.95 -0.27 -3.33 0.11 -1.03 -3.85 120.40 114.49 1c2y s VAL 44 Ca 0.00 0.96 -0.02 0.00 -2.93 0.00 0.00 61.98 59.99 1c2y s VAL 44 Cb 0.00 -3.61 0.16 0.00 -1.53 0.00 0.00 36.38 31.40 1c2y s VAL 44 CO 0.00 0.23 0.48 0.21 -3.33 0.00 0.00 175.10 172.69 1c2y s ASN 45 N -0.60 -0.48 0.00 3.54 3.84 -1.18 -4.39 114.94 115.67 1c2y s ASN 45 Ca 0.48 0.47 0.00 0.00 0.21 0.00 0.00 52.86 54.01 1c2y s ASN 45 Cb -0.37 1.58 0.00 0.00 -0.55 0.00 0.00 41.25 41.90 1c2y s ASN 45 CO 0.49 -0.29 0.76 1.21 -2.79 0.00 0.00 177.10 176.49 1c2y n GLU 46 N 5.39 0.00 -4.06 0.43 2.13 -1.26 -4.83 120.64 118.44 1c2y n GLU 46 Ca -0.02 -0.72 -0.29 0.00 0.66 0.00 0.00 57.16 56.79 1c2y n GLU 46 Cb 0.51 0.45 -0.07 0.00 0.27 0.00 0.00 31.44 32.59 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 0.22 0.00 4.31 2.03 -1.26 -4.71 116.55 117.14 1c2y n ASP 47 Ca -0.20 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.00 1c2y n ASP 47 Cb 0.59 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 -4.15 0.00 -2.72 5.18 -0.00 -1.26 -4.88 119.36 111.53 1c2y n ILE 48 Ca -0.26 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.08 1c2y n ILE 48 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.19 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 -4.90 116.67 126.21 1c2y s ASP 49 Ca 0.00 1.70 -0.02 0.00 0.18 0.00 0.00 52.55 54.41 1c2y s ASP 49 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.42 1c2y s ASP 49 CO 0.00 -0.19 -0.10 0.68 1.18 0.00 0.00 175.17 176.73 1c2y s VAL 50 N 0.68 2.80 -0.23 -1.27 -7.23 -1.26 -0.14 120.40 113.75 1c2y s VAL 50 Ca 0.50 -0.74 -0.07 0.00 -1.81 0.00 0.00 61.98 59.86 1c2y s VAL 50 Cb -0.22 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1c2y s VAL 50 CO 0.28 0.43 0.05 -0.69 -0.31 0.00 0.00 175.10 174.87 1c2y s VAL 51 N 1.38 4.29 -0.14 1.32 1.01 0.15 -4.97 120.40 123.45 1c2y s VAL 51 Ca 0.05 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1c2y s VAL 51 Cb -0.14 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1c2y s VAL 51 CO -0.07 0.38 0.47 0.26 0.00 0.00 0.00 175.10 176.13 1c2y s TRP 52 N 1.29 3.48 0.06 5.22 0.52 -1.26 -0.33 118.94 127.92 1c2y s TRP 52 Ca 0.05 0.83 0.07 0.00 0.02 0.00 0.00 56.10 57.07 1c2y s TRP 52 Cb -0.15 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.59 1c2y s TRP 52 CO 0.03 0.12 -0.19 0.14 0.02 0.00 0.00 176.95 177.07 1c2y s VAL 53 N 0.82 1.52 0.09 4.03 -7.23 0.27 -4.95 120.40 114.94 1c2y s VAL 53 Ca 0.25 -1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.92 1c2y s VAL 53 Cb -0.15 -1.36 -0.15 0.00 0.56 0.00 0.00 36.38 35.29 1c2y s VAL 53 CO 0.10 0.05 1.72 1.55 -0.31 0.00 0.00 175.10 178.20 1c2y h PRO 54 N 4.59 0.01 -5.39 4.82 0.13 -1.94 0.29 132.00 134.52 1c2y h PRO 54 Ca -0.43 -0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.30 1c2y h PRO 54 Cb 1.17 -0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1c2y h PRO 54 CO 0.42 0.03 -0.74 0.20 -0.23 0.00 0.00 178.00 177.68 1c2y s GLY 55 N -2.24 1.22 0.47 1.56 0.00 -1.26 -1.21 107.32 105.86 1c2y s GLY 55 Ca -0.13 -1.50 0.23 0.00 0.00 0.00 0.00 44.72 43.32 1c2y s GLY 55 CO 0.66 -1.59 1.88 0.00 0.00 0.00 0.00 173.10 174.06 1c2y h ALA 56 N 2.92 2.46 -0.61 3.20 0.00 -1.93 0.13 119.26 125.42 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 18.92 1c2y h ALA 56 CO 0.59 -0.72 0.16 -0.92 0.00 0.00 0.00 179.25 178.36 1c2y h TYR 57 N 0.22 0.27 -0.78 0.00 3.20 -1.93 -1.61 116.97 116.34 1c2y h TYR 57 Ca 0.43 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.46 1c2y h TYR 57 Cb 1.35 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.54 1c2y h TYR 57 CO -0.00 0.00 0.51 0.93 -1.64 0.00 0.00 178.16 177.96 1c2y h GLU 58 N 0.30 0.56 -0.81 1.82 3.07 -1.16 -2.99 114.58 115.37 1c2y h GLU 58 Ca 0.32 -0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.30 1c2y h GLU 58 Cb 0.46 -0.13 -0.15 0.00 -0.84 0.00 0.00 28.75 28.10 1c2y h GLU 58 CO -0.38 0.37 -0.23 1.28 -1.40 0.00 0.00 179.01 178.65 1c2y n LEU 59 N -4.50 -0.34 0.00 1.33 4.77 -0.61 -2.48 117.00 115.17 1c2y n LEU 59 Ca 0.14 1.40 0.00 0.00 -0.03 0.00 0.00 56.01 57.52 1c2y n LEU 59 Cb 0.43 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1c2y n LEU 59 CO 0.32 -1.33 0.35 0.61 -1.33 0.00 0.00 177.39 176.02 1c2y n GLY 60 N -1.48 -3.47 0.23 -0.72 0.00 -1.13 -0.19 105.19 98.43 1c2y n GLY 60 Ca 0.12 0.71 -0.04 0.00 0.00 0.00 0.00 46.02 46.81 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 1.02 -0.33 1.61 -1.51 -1.76 0.16 116.25 115.45 1c2y h VAL 61 Ca 0.00 -0.23 0.07 0.00 -1.23 0.00 0.00 66.70 65.31 1c2y h VAL 61 Cb 0.00 0.31 -0.06 0.00 -2.13 0.00 0.00 31.29 29.41 1c2y h VAL 61 CO 0.00 0.12 -0.09 0.74 -1.23 0.00 0.00 177.57 177.11 1c2y h THR 62 N 0.66 0.65 0.35 7.19 2.02 -1.13 0.24 112.91 122.88 1c2y h THR 62 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 1c2y h THR 62 Cb 0.08 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1c2y h THR 62 CO -0.13 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.60 1c2y h ALA 63 N 1.31 -0.47 -0.69 6.16 0.00 -0.00 -1.87 119.26 123.70 1c2y h ALA 63 Ca 0.16 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1c2y h ALA 63 Cb 0.26 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1c2y h ALA 63 CO -0.35 -0.75 -0.33 0.94 0.00 0.00 0.00 179.25 178.76 1c2y n GLN 64 N -5.28 -0.23 0.00 0.00 -0.06 0.52 0.35 117.38 112.69 1c2y n GLN 64 Ca -0.10 1.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.94 1c2y n GLN 64 Cb 0.21 -1.55 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 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 -3.57 -0.39 -0.33 1.69 0.00 0.67 -1.15 120.51 117.44 1c2y n ALA 65 Ca 0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.75 1c2y n ALA 65 Cb 0.23 0.09 0.51 0.00 0.00 0.00 0.00 19.45 20.27 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 0.21 0.28 0.00 3.38 -0.17 0.41 115.31 119.43 1c2y h LEU 66 Ca 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1c2y h LEU 66 Cb 0.00 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1c2y h LEU 66 CO 0.00 -0.36 -0.13 1.23 0.09 0.00 0.00 178.44 179.27 1c2y h GLY 67 N 0.07 -0.39 2.00 0.83 0.00 0.24 -2.74 103.07 103.09 1c2y h GLY 67 Ca 0.77 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 48.25 1c2y h GLY 67 CO -0.76 -0.14 -0.01 0.50 0.00 0.00 0.00 176.54 176.13 1c2y h LYS 68 N -0.58 0.00 0.00 4.80 1.57 0.13 -1.31 116.57 121.18 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 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1c2y h LYS 68 CO 0.06 0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 177.82 1c2y n SER 69 N -3.12 0.00 0.00 0.86 3.41 -0.10 -4.79 113.62 109.89 1c2y n SER 69 Ca -0.02 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1c2y n SER 69 Cb 0.17 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.56 0.00 0.12 5.00 0.00 -0.50 -4.76 105.19 104.50 1c2y n GLY 70 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.17 -6.22 1.61 1.57 -1.81 -3.46 116.57 108.44 1c2y h LYS 71 Ca 0.00 -0.18 -0.54 0.00 -1.87 0.00 0.00 60.65 58.05 1c2y h LYS 71 Cb 0.44 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 1c2y h LYS 71 CO 0.00 0.92 -0.60 0.71 -0.57 0.00 0.00 179.45 179.92 1c2y s TYR 72 N -3.23 2.90 -0.13 -1.35 1.51 -1.26 -4.81 117.35 110.98 1c2y s TYR 72 Ca -0.03 -0.16 0.20 0.00 -1.01 0.00 0.00 57.07 56.07 1c2y s TYR 72 Cb 0.10 -1.32 -0.19 0.00 -0.11 0.00 0.00 41.96 40.45 1c2y s TYR 72 CO 0.82 0.56 0.64 0.72 -1.11 0.00 0.00 175.55 177.18 1c2y n HIS 73 N -0.87 0.53 -3.63 2.71 8.25 0.14 -4.94 115.22 117.41 1c2y n HIS 73 Ca -0.08 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 1c2y n HIS 73 Cb 0.58 -0.88 -0.07 0.00 1.12 0.00 0.00 29.99 30.74 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 -3.11 -1.81 -0.07 -1.41 0.00 -1.25 -4.26 121.76 109.86 1c2y s ALA 74 Ca -0.05 2.01 0.05 0.00 0.00 0.00 0.00 51.96 53.97 1c2y s ALA 74 Cb 0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1c2y s ALA 74 CO 0.84 -0.32 -0.23 0.96 0.00 0.00 0.00 175.76 177.01 1c2y s ILE 75 N 0.36 1.90 -0.15 0.00 -0.00 -0.42 -2.49 121.20 120.41 1c2y s ILE 75 Ca 0.00 -0.97 -0.03 0.00 -0.00 0.00 0.00 60.65 59.66 1c2y s ILE 75 Cb -0.05 -1.63 -0.02 0.00 -0.00 0.00 0.00 42.46 40.76 1c2y s ILE 75 CO -0.00 0.53 -0.06 0.54 -0.00 0.00 0.00 174.94 175.95 1c2y s VAL 76 N 0.04 3.69 -0.18 8.37 0.11 0.22 -0.09 120.40 132.56 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 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 1c2y s VAL 76 CO 0.05 0.50 -0.02 0.00 -3.33 0.00 0.00 175.10 172.29 1c2y s LEU 78 N 0.70 2.37 -0.04 0.00 1.02 0.80 0.50 118.68 124.04 1c2y s LEU 78 Ca -0.01 -0.51 -0.31 0.00 0.02 0.00 0.00 54.13 53.32 1c2y s LEU 78 Cb -0.14 -1.39 0.13 0.00 0.02 0.00 0.00 46.19 44.80 1c2y s LEU 78 CO 0.02 0.26 1.33 -0.83 0.02 0.00 0.00 176.35 177.15 1c2y s GLY 79 N -1.29 -0.44 -0.17 -3.19 0.00 -0.98 -2.17 107.32 99.09 1c2y s GLY 79 Ca 0.13 0.75 -0.07 0.00 0.00 0.00 0.00 44.72 45.53 1c2y s GLY 79 CO 0.03 0.26 0.37 0.00 0.00 0.00 0.00 173.10 173.76 1c2y s ALA 80 N -2.31 -0.96 -0.30 3.20 0.00 -1.26 0.01 121.76 120.15 1c2y s ALA 80 Ca 0.15 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1c2y s ALA 80 Cb 0.06 -1.11 0.09 0.00 0.00 0.00 0.00 23.12 22.15 1c2y s ALA 80 CO -0.05 -0.57 0.02 0.54 0.00 0.00 0.00 175.76 175.71 1c2y s VAL 81 N 2.18 1.69 0.10 0.00 0.11 0.91 -4.71 120.40 120.67 1c2y s VAL 81 Ca -0.04 -1.73 -0.25 0.00 -2.93 0.00 0.00 61.98 57.03 1c2y s VAL 81 Cb -0.11 -2.14 -0.07 0.00 -1.53 0.00 0.00 36.38 32.54 1c2y s VAL 81 CO -0.12 -0.45 0.77 0.68 -3.33 0.00 0.00 175.10 172.66 1c2y s VAL 82 N 1.24 4.58 -1.06 2.04 -7.23 -1.26 -3.91 120.40 114.81 1c2y s VAL 82 Ca 0.05 1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 61.63 1c2y s VAL 82 Cb -0.19 -4.12 -0.11 0.00 0.56 0.00 0.00 36.38 32.52 1c2y s VAL 82 CO -0.12 0.43 2.03 -0.75 -0.31 0.00 0.00 175.10 176.38 1c2y s LYS 83 N -0.53 2.12 -0.04 4.82 2.20 0.20 -4.72 119.74 123.80 1c2y s LYS 83 Ca 0.37 -0.63 -0.13 0.00 -0.36 0.00 0.00 55.97 55.22 1c2y s LYS 83 Cb -0.22 -5.10 -0.07 0.00 -1.51 0.00 0.00 37.83 30.94 1c2y s LYS 83 CO 0.24 -4.24 0.56 0.78 -0.36 0.00 0.00 175.35 172.34 1c2y h GLY 84 N 19.32 -0.49 0.00 5.54 0.00 -1.91 -3.42 103.07 122.11 1c2y h GLY 84 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1c2y h GLY 84 CO 1.15 -0.18 0.00 1.22 0.00 0.00 0.00 176.54 178.73 1c2y n ASP 85 N -4.91 0.00 -3.98 0.19 8.00 -1.26 -5.12 116.55 109.47 1c2y n ASP 85 Ca -0.06 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 1c2y n ASP 85 Cb 0.19 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.18 1.71 -0.96 -3.53 -4.23 -1.26 -4.90 115.64 102.64 1c2y s THR 86 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1c2y s THR 86 Cb 0.00 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.33 1c2y s THR 86 CO 0.00 0.00 1.17 -1.54 -0.54 0.00 0.00 174.62 173.71 1c2y n SER 87 N -4.54 0.03 -0.32 3.99 3.41 -1.26 -1.87 113.62 113.06 1c2y n SER 87 Ca 0.12 0.51 0.20 0.00 -0.26 0.00 0.00 58.87 59.44 1c2y n SER 87 Cb 0.59 -0.52 0.40 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.71 -0.24 7.33 6.17 -1.99 1.29 115.15 128.42 1c2y h HIS 88 Ca 0.00 0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.15 1c2y h HIS 88 Cb 0.08 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 29.81 1c2y h HIS 88 CO 0.00 -0.19 -0.31 -0.92 0.71 0.00 0.00 177.93 177.22 1c2y h TYR 89 N 0.29 -0.96 -0.24 5.26 3.20 -1.73 0.13 116.97 122.92 1c2y h TYR 89 Ca 0.67 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.62 1c2y h TYR 89 Cb 1.45 0.45 -0.07 0.00 1.54 0.00 0.00 36.73 40.11 1c2y h TYR 89 CO -0.11 -0.27 -0.54 -0.44 -1.64 0.00 0.00 178.16 175.16 1c2y h ASP 90 N -0.21 -1.76 -0.55 -2.11 3.32 0.13 0.19 116.42 115.42 1c2y h ASP 90 Ca 0.04 0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.36 1c2y h ASP 90 Cb 0.33 0.70 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 1c2y h ASP 90 CO -0.34 -0.45 -0.32 0.00 -1.72 0.00 0.00 179.24 176.40 1c2y n ALA 91 N -3.03 -0.35 0.27 3.45 0.00 0.06 0.27 120.51 121.18 1c2y n ALA 91 Ca -0.05 0.47 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 1c2y n ALA 91 Cb 0.36 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.95 0.00 2.07 -0.18 -1.21 116.25 115.98 1c2y h VAL 92 Ca 0.09 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.83 1c2y h VAL 92 Cb 0.23 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.82 1c2y h VAL 92 CO -0.52 0.00 -0.11 0.58 0.02 0.00 0.00 177.57 177.54 1c2y h VAL 93 N -0.87 0.06 0.78 2.57 2.07 0.73 0.69 116.25 122.28 1c2y h VAL 93 Ca -0.06 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1c2y h VAL 93 Cb 0.73 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1c2y h VAL 93 CO -0.01 0.00 -0.37 0.78 0.02 0.00 0.00 177.57 177.99 1c2y h ASN 94 N 0.01 -0.89 -0.66 0.57 2.35 0.24 0.10 115.58 117.32 1c2y h ASN 94 Ca 0.51 0.03 0.14 0.00 -0.55 0.00 0.00 56.30 56.43 1c2y h ASN 94 Cb 0.91 0.23 -0.12 0.00 0.05 0.00 0.00 38.32 39.39 1c2y h ASN 94 CO -0.93 -0.57 -0.04 0.28 -1.65 0.00 0.00 177.43 174.52 1c2y h SER 95 N -1.17 -0.37 0.20 5.81 0.02 0.18 0.69 113.55 118.90 1c2y h SER 95 Ca -0.11 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1c2y h SER 95 Cb 0.80 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1c2y h SER 95 CO 0.18 -0.16 -0.29 0.00 -1.14 0.00 0.00 176.83 175.42 1c2y h ALA 96 N 1.62 -0.91 -0.13 3.77 0.00 0.47 0.49 119.26 124.57 1c2y h ALA 96 Ca 0.34 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1c2y h ALA 96 Cb 0.56 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1c2y h ALA 96 CO -0.60 -0.95 -0.54 1.03 0.00 0.00 0.00 179.25 178.19 1c2y h SER 97 N -0.51 -1.72 -0.59 0.00 0.87 0.82 -1.42 113.55 111.00 1c2y h SER 97 Ca -0.02 0.20 0.12 0.00 -1.23 0.00 0.00 61.79 60.86 1c2y h SER 97 Cb 0.46 0.67 -0.10 0.00 -0.44 0.00 0.00 62.40 62.99 1c2y h SER 97 CO -0.09 -0.49 -0.02 -1.28 -0.53 0.00 0.00 176.83 174.43 1c2y h SER 98 N -0.59 -0.30 0.24 6.23 0.87 0.50 -1.01 113.55 119.49 1c2y h SER 98 Ca 0.03 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1c2y h SER 98 Cb 0.68 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.87 1c2y h SER 98 CO -0.43 -0.12 -0.52 1.23 -0.53 0.00 0.00 176.83 176.46 1c2y h GLY 99 N 0.10 -1.20 0.26 5.77 0.00 1.00 0.19 103.07 109.19 1c2y h GLY 99 Ca 0.30 0.63 0.17 0.00 0.00 0.00 0.00 47.33 48.43 1c2y h GLY 99 CO -0.51 -0.30 0.62 -2.08 0.00 0.00 0.00 176.54 174.26 1c2y h VAL 100 N -0.83 0.77 0.25 4.60 2.07 -0.86 0.35 116.25 122.59 1c2y h VAL 100 Ca -0.02 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1c2y h VAL 100 Cb 0.79 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1c2y h VAL 100 CO -0.22 0.14 -0.12 0.25 0.02 0.00 0.00 177.57 177.65 1c2y h LEU 101 N 0.79 -0.28 -0.93 2.57 5.85 -0.26 -1.72 115.31 121.33 1c2y h LEU 101 Ca 0.54 0.01 0.19 0.00 0.84 0.00 0.00 57.88 59.46 1c2y h LEU 101 Cb 0.80 0.07 -0.18 0.00 0.37 0.00 0.00 40.66 41.73 1c2y h LEU 101 CO -0.32 -0.20 -0.20 0.28 -0.34 0.00 0.00 178.44 177.67 1c2y h SER 102 N -0.35 -0.81 0.10 1.25 0.02 0.26 0.13 113.55 114.14 1c2y h SER 102 Ca -0.03 0.28 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1c2y h SER 102 Cb 0.26 0.56 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 1c2y h SER 102 CO 0.06 -0.31 -0.43 0.00 -1.14 0.00 0.00 176.83 175.01 1c2y h ALA 103 N 1.93 -0.92 -0.63 3.77 0.00 -0.25 0.29 119.26 123.46 1c2y h ALA 103 Ca 0.46 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.41 1c2y h ALA 103 Cb 0.74 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 1c2y h ALA 103 CO -0.95 -1.02 -0.05 0.78 0.00 0.00 0.00 179.25 178.00 1c2y h GLY 104 N -0.61 0.60 0.91 0.00 0.00 0.15 0.26 103.07 104.38 1c2y h GLY 104 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1c2y h GLY 104 CO -0.24 -0.22 -0.24 1.41 0.00 0.00 0.00 176.54 177.25 1c2y h LEU 105 N 0.07 -0.57 -0.68 3.11 -0.00 -0.26 0.29 115.31 117.27 1c2y h LEU 105 Ca 0.32 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1c2y h LEU 105 Cb 0.52 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 1c2y h LEU 105 CO -0.58 -0.33 0.41 0.78 -0.00 0.00 0.00 178.44 178.72 1c2y h ASN 106 N -0.77 0.82 1.67 -0.43 2.35 0.08 -2.12 115.58 117.18 1c2y h ASN 106 Ca -0.07 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1c2y h ASN 106 Cb 0.56 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1c2y h ASN 106 CO 0.11 0.63 -0.13 0.77 -1.65 0.00 0.00 177.43 177.17 1c2y h SER 107 N 0.93 0.00 -0.15 5.81 4.64 -0.47 -3.46 113.55 120.84 1c2y h SER 107 Ca 0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1c2y h SER 107 Cb -0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1c2y h SER 107 CO -0.05 0.13 -0.06 0.61 -0.87 0.00 0.00 176.83 176.59 1c2y n GLY 108 N 0.90 0.53 3.36 -0.77 0.00 0.97 -4.84 105.19 105.34 1c2y n GLY 108 Ca 0.03 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.76 2.92 0.05 1.61 1.01 -0.99 -5.02 120.40 118.23 1c2y s VAL 109 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 1c2y s VAL 109 Cb 0.00 -2.20 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 1c2y s VAL 109 CO 0.00 0.54 1.88 -2.65 0.00 0.00 0.00 175.10 174.86 1c2y n PRO 110 N 3.37 2.65 -4.09 2.72 -0.02 -1.26 -4.06 135.00 134.31 1c2y n PRO 110 Ca -0.18 0.97 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 1c2y n PRO 110 Cb 0.53 -2.87 -0.15 0.00 -0.02 0.00 0.00 33.50 30.99 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 -1.14 0.00 1.01 0.87 -4.85 120.40 122.31 1c2y s VAL 112 Ca -0.03 1.90 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 1c2y s VAL 112 Cb -0.17 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.06 1c2y s VAL 112 CO -0.09 0.04 1.49 0.12 0.00 0.00 0.00 175.10 176.66 1c2y s PHE 113 N 1.88 2.95 -0.88 5.22 5.36 -1.26 -0.12 117.98 131.12 1c2y s PHE 113 Ca 0.45 -1.51 0.00 0.00 -0.96 0.00 0.00 56.93 54.91 1c2y s PHE 113 Cb -0.18 -4.55 0.33 0.00 -0.34 0.00 0.00 43.02 38.28 1c2y s PHE 113 CO 0.17 -1.69 1.64 0.41 -1.46 0.00 0.00 175.22 174.29 1c2y n GLY 114 N 5.48 5.95 3.13 13.12 0.00 0.18 -4.96 105.19 128.09 1c2y n GLY 114 Ca 0.38 -2.62 -0.28 0.00 0.00 0.00 0.00 46.02 43.49 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 -4.53 1.62 0.24 1.61 0.11 -1.25 -2.33 120.40 115.89 1c2y s VAL 115 Ca 0.43 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1c2y s VAL 115 Cb 0.25 -1.43 -0.09 0.00 -1.53 0.00 0.00 36.38 33.59 1c2y s VAL 115 CO -0.17 0.46 1.01 -0.76 -3.33 0.00 0.00 175.10 172.31 1c2y s LEU 116 N 0.43 4.60 -0.31 2.54 1.43 0.10 -4.92 118.68 122.55 1c2y s LEU 116 Ca -0.15 2.07 0.17 0.00 -1.03 0.00 0.00 54.13 55.19 1c2y s LEU 116 Cb -0.16 -3.61 0.47 0.00 0.03 0.00 0.00 46.19 42.91 1c2y s LEU 116 CO 0.06 0.01 1.03 0.35 0.23 0.00 0.00 176.35 178.03 1c2y n THR 117 N 1.52 1.34 -2.08 5.49 -2.24 -1.26 -0.06 114.28 116.98 1c2y n THR 117 Ca -0.01 -3.31 -0.27 0.00 -2.27 0.00 0.00 64.05 58.19 1c2y n THR 117 Cb 0.46 0.51 0.10 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 -3.21 0.00 -4.89 0.00 8.00 -1.26 -1.80 116.55 113.40 1c2y n ASP 119 Ca 0.10 0.43 -0.30 0.00 0.71 0.00 0.00 54.79 55.73 1c2y n ASP 119 Cb 0.60 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.79 6.53 0.19 -2.24 2.20 -1.26 -0.62 114.94 116.95 1c2y s ASN 120 Ca 0.00 0.91 -0.15 0.00 -0.94 0.00 0.00 52.86 52.68 1c2y s ASN 120 Cb 0.00 -2.23 0.19 0.00 -2.00 0.00 0.00 41.25 37.21 1c2y s ASN 120 CO 0.00 -0.22 1.64 -0.03 -2.94 0.00 0.00 177.10 175.55 1c2y h MET 121 N 1.80 0.01 -0.57 3.55 1.85 -1.93 -2.37 114.93 117.27 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 -0.00 -0.11 0.00 0.43 0.00 0.00 31.60 33.11 1c2y h MET 121 CO 0.66 0.00 -0.11 0.22 -0.40 0.00 0.00 176.91 177.29 1c2y h ASP 122 N 0.01 -0.46 -0.75 1.39 1.82 -1.99 0.91 116.42 117.34 1c2y h ASP 122 Ca 0.26 0.16 0.11 0.00 -0.39 0.00 0.00 57.03 57.18 1c2y h ASP 122 Cb 0.40 0.33 -0.08 0.00 0.68 0.00 0.00 39.33 40.66 1c2y h ASP 122 CO -0.56 -0.17 0.38 1.56 -1.61 0.00 0.00 179.24 178.84 1c2y h GLN 123 N 0.02 0.59 0.36 0.28 4.20 -1.83 -1.12 115.11 117.60 1c2y h GLN 123 Ca 0.28 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1c2y h GLN 123 Cb 0.43 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1c2y h GLN 123 CO -0.56 0.39 -0.31 0.00 -0.67 0.00 0.00 178.83 177.68 1c2y h ALA 124 N 1.47 -0.68 -1.12 3.87 0.00 -0.82 -1.07 119.26 120.92 1c2y h ALA 124 Ca 0.38 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 55.54 1c2y h ALA 124 Cb 0.45 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 1c2y h ALA 124 CO -0.30 -0.91 0.68 0.82 0.00 0.00 0.00 179.25 179.54 1c2y h ILE 125 N -0.67 0.24 -0.11 0.00 1.08 0.09 0.96 117.51 119.10 1c2y h ILE 125 Ca -0.03 -0.08 -0.14 0.00 -0.39 0.00 0.00 64.86 64.23 1c2y h ILE 125 Cb 0.60 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1c2y h ILE 125 CO -0.03 0.04 -0.53 0.78 -0.69 0.00 0.00 178.15 177.73 1c2y h ASN 126 N 0.22 0.33 1.58 1.72 2.35 -0.51 -2.37 115.58 118.91 1c2y h ASN 126 Ca 0.76 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 1c2y h ASN 126 Cb 2.01 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1c2y h ASN 126 CO -0.51 0.80 0.00 0.03 -1.65 0.00 0.00 177.43 176.10 1c2y h ARG 127 N 0.24 0.00 -2.08 0.81 2.47 0.15 0.66 114.38 116.62 1c2y h ARG 127 Ca 0.01 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.04 1c2y h ARG 127 Cb 1.01 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.10 1c2y h ARG 127 CO 0.09 0.00 0.95 0.00 0.56 0.00 0.00 179.97 181.57 1c2y n ALA 128 N -2.03 6.47 -0.43 0.04 0.00 -0.32 -0.08 120.51 124.16 1c2y n ALA 128 Ca 0.03 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1c2y n ALA 128 Cb 0.44 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 0.13 0.92 0.00 0.00 0.00 0.28 -4.84 105.19 101.68 1c2y n GLY 129 Ca 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.07 2.20 0.00 -0.02 0.00 0.16 -4.86 105.19 100.60 1c2y n GLY 130 Ca 0.00 -1.97 0.08 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 0.55 -0.23 1.61 2.85 -1.25 -1.42 118.16 120.28 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 -1.46 0.22 0.00 -0.65 0.00 0.00 35.03 33.14 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 -0.96 2.35 0.00 0.58 0.00 -0.83 -5.05 120.51 116.60 1c2y n ALA 132 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1c2y n ALA 132 Cb 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.22 -1.29 2.60 0.00 0.00 -0.51 -4.67 105.19 102.55 1c2y n GLY 133 Ca 0.18 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 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 3.14 0.22 1.61 3.84 -1.16 0.10 114.94 118.69 1c2y s ASN 134 Ca 0.00 -1.06 -0.08 0.00 0.21 0.00 0.00 52.86 51.93 1c2y s ASN 134 Cb 0.00 -0.39 0.30 0.00 -0.55 0.00 0.00 41.25 40.62 1c2y s ASN 134 CO 0.00 -0.40 1.79 0.50 -2.79 0.00 0.00 177.10 176.20 1c2y h LYS 135 N 8.37 0.60 -0.39 0.43 3.64 -0.81 -1.11 116.57 127.30 1c2y h LYS 135 Ca -0.17 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1c2y h LYS 135 Cb 1.07 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.68 1c2y h LYS 135 CO 0.38 0.39 -0.50 0.78 -2.27 0.00 0.00 179.45 178.24 1c2y h GLY 136 N 0.61 -1.12 0.42 5.01 0.00 -1.80 0.53 103.07 106.72 1c2y h GLY 136 Ca 0.33 0.74 0.05 0.00 0.00 0.00 0.00 47.33 48.45 1c2y h GLY 136 CO -0.24 -0.18 -0.14 0.00 0.00 0.00 0.00 176.54 175.98 1c2y h ALA 137 N -0.16 -0.00 -0.59 3.60 0.00 -1.59 -1.17 119.26 119.35 1c2y h ALA 137 Ca 0.07 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1c2y h ALA 137 Cb 0.52 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 1c2y h ALA 137 CO -0.54 -0.57 0.09 0.93 0.00 0.00 0.00 179.25 179.15 1c2y h GLU 138 N -0.14 0.20 -0.33 0.00 5.08 0.15 -0.62 114.58 118.92 1c2y h GLU 138 Ca 0.11 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1c2y h GLU 138 Cb 0.31 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1c2y h GLU 138 CO -0.27 0.13 0.10 0.77 -1.00 0.00 0.00 179.01 178.74 1c2y h SER 139 N 0.21 0.09 0.25 1.42 0.02 0.10 0.11 113.55 115.76 1c2y h SER 139 Ca 0.31 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1c2y h SER 139 Cb 0.47 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1c2y h SER 139 CO -0.43 0.09 -0.39 0.00 -1.14 0.00 0.00 176.83 174.96 1c2y h ALA 140 N 1.23 -0.77 -0.70 3.77 0.00 -0.03 0.23 119.26 122.98 1c2y h ALA 140 Ca 0.15 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.11 1c2y h ALA 140 Cb 0.14 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 1c2y h ALA 140 CO -0.17 -0.99 0.09 1.25 0.00 0.00 0.00 179.25 179.43 1c2y h LEU 141 N -0.71 -0.14 -0.55 0.00 7.12 -0.72 0.33 115.31 120.63 1c2y h LEU 141 Ca -0.00 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1c2y h LEU 141 Cb 0.69 0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 41.04 1c2y h LEU 141 CO -0.15 -0.09 0.35 0.74 -0.13 0.00 0.00 178.44 179.16 1c2y h THR 142 N 0.19 1.15 -0.37 1.05 2.02 0.46 -1.43 112.91 115.97 1c2y h THR 142 Ca 0.39 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 67.33 1c2y h THR 142 Cb 0.66 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.36 1c2y h THR 142 CO -0.55 0.15 -0.26 0.00 0.37 0.00 0.00 175.52 175.24 1c2y h ALA 143 N 1.18 -0.06 0.00 6.16 0.00 0.29 0.17 119.26 127.00 1c2y h ALA 143 Ca 0.20 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1c2y h ALA 143 Cb -0.05 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1c2y h ALA 143 CO -0.04 -0.65 -0.16 0.82 0.00 0.00 0.00 179.25 179.23 1c2y h ILE 144 N -0.20 0.00 -0.87 0.00 2.04 -0.56 0.20 117.51 118.12 1c2y h ILE 144 Ca 0.18 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.27 1c2y h ILE 144 Cb 0.49 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.43 1c2y h ILE 144 CO -0.49 0.00 0.26 -0.08 0.00 0.00 0.00 178.15 177.84 1c2y h GLU 145 N -0.20 0.24 -0.06 2.37 4.81 -0.35 0.34 114.58 121.73 1c2y h GLU 145 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1c2y h GLU 145 Cb 0.21 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1c2y h GLU 145 CO -0.10 0.16 0.02 0.52 -0.73 0.00 0.00 179.01 178.87 1c2y h MET 146 N 0.24 0.09 0.18 1.92 2.86 0.05 0.35 114.93 120.63 1c2y h MET 146 Ca 0.54 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 1c2y h MET 146 Cb 1.08 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 1c2y h MET 146 CO -0.62 0.26 -0.40 0.00 1.06 0.00 0.00 176.91 177.21 1c2y h ALA 147 N 0.83 -0.94 -0.67 6.32 0.00 0.89 -0.13 119.26 125.56 1c2y h ALA 147 Ca 0.02 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1c2y h ALA 147 Cb 0.20 0.74 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1c2y h ALA 147 CO -0.00 -1.02 -0.04 1.03 0.00 0.00 0.00 179.25 179.22 1c2y h SER 148 N -0.63 -0.38 -0.66 0.00 0.87 -0.92 0.33 113.55 112.15 1c2y h SER 148 Ca -0.02 0.18 0.13 0.00 -1.23 0.00 0.00 61.79 60.85 1c2y h SER 148 Cb 0.60 0.33 -0.09 0.00 -0.44 0.00 0.00 62.40 62.80 1c2y h SER 148 CO -0.17 -0.16 0.17 0.25 -0.53 0.00 0.00 176.83 176.39 1c2y h LEU 149 N 0.08 0.06 -1.89 2.23 5.85 0.73 0.24 115.31 122.61 1c2y h LEU 149 Ca 0.35 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.23 1c2y h LEU 149 Cb 0.57 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1c2y h LEU 149 CO -0.61 0.02 0.17 -0.26 -0.34 0.00 0.00 178.44 177.43 1c2y h PHE 150 N 0.30 0.14 -2.73 1.25 -1.00 0.14 0.25 116.94 115.30 1c2y h PHE 150 Ca 0.35 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 60.45 1c2y h PHE 150 Cb 0.54 -0.05 -0.36 0.00 3.61 0.00 0.00 35.95 39.69 1c2y h PHE 150 CO -0.23 0.08 -0.06 0.39 -1.61 0.00 0.00 178.31 176.88 1c2y n GLU 151 N -4.49 3.10 0.00 1.51 4.71 0.07 -0.57 120.64 124.97 1c2y n GLU 151 Ca 0.02 -4.58 0.00 0.00 -0.01 0.00 0.00 57.16 52.59 1c2y n GLU 151 Cb 0.22 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.28 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 1.41 0.00 -0.12 -0.32 -0.00 -1.17 -4.90 115.22 110.12 1c2y n HIS 152 Ca 0.26 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.76 1c2y n HIS 152 Cb 0.37 0.00 -0.08 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 0.08 0.00 1.57 1.44 0.07 -4.93 115.22 113.45 1c2y n HIS 153 Ca 0.00 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1c2y n HIS 153 Cb 0.00 -0.85 0.00 0.00 0.12 0.00 0.00 29.99 29.26 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 -4.33 0.00 -0.51 2.39 7.94 0.26 -5.05 117.00 117.69 1c2y n LEU 154 Ca -0.40 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.56 1c2y n LEU 154 Cb 0.75 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.75 1c2y n LEU 154 CO 0.09 0.00 0.45 2.29 -1.11 0.00 0.00 177.39 179.12