#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 1.19 -0.64 6.12 4.22 -1.26 -5.09 114.94 119.47 1c2y s ASN 2 Ca 0.00 -1.05 -0.26 0.00 -2.14 0.00 0.00 52.86 49.41 1c2y s ASN 2 Cb 0.00 0.66 -0.07 0.00 1.28 0.00 0.00 41.25 43.12 1c2y s ASN 2 CO 0.00 -0.32 2.22 -1.61 -2.04 0.00 0.00 177.10 175.34 1c2y s GLU 3 N 1.99 2.17 -0.90 3.55 2.02 -1.26 -4.88 118.70 121.38 1c2y s GLU 3 Ca 0.13 0.79 -0.21 0.00 0.02 0.00 0.00 54.97 55.70 1c2y s GLU 3 Cb -0.14 -4.64 0.10 0.00 0.10 0.00 0.00 34.13 29.54 1c2y s GLU 3 CO -0.20 -3.43 1.19 -0.51 0.02 0.00 0.00 175.26 172.34 1c2y s LEU 4 N 11.77 4.45 0.17 1.80 1.43 -1.26 -4.99 118.68 132.05 1c2y s LEU 4 Ca 0.85 -1.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1c2y s LEU 4 Cb -0.14 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1c2y s LEU 4 CO 0.17 -1.28 -0.03 -0.70 0.23 0.00 0.00 176.35 174.74 1c2y s GLU 5 N 3.65 2.30 1.05 1.70 2.12 -1.26 -5.05 118.70 123.22 1c2y s GLU 5 Ca 0.35 -1.15 -0.16 0.00 0.36 0.00 0.00 54.97 54.36 1c2y s GLU 5 Cb -0.06 -2.30 0.22 0.00 0.26 0.00 0.00 34.13 32.26 1c2y s GLU 5 CO -0.05 0.45 1.19 0.20 -0.54 0.00 0.00 175.26 176.50 1c2y s GLY 6 N -2.89 1.65 -0.11 -1.50 0.00 -1.26 -4.77 107.32 98.43 1c2y s GLY 6 Ca 0.27 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1c2y s GLY 6 CO 0.17 -0.16 -0.20 -0.19 0.00 0.00 0.00 173.10 172.73 1c2y s TYR 7 N -3.36 2.32 -0.48 1.90 2.02 -1.26 -4.88 117.35 113.60 1c2y s TYR 7 Ca 0.70 -1.05 0.23 0.00 -0.37 0.00 0.00 57.07 56.59 1c2y s TYR 7 Cb -0.09 -1.59 0.19 0.00 -0.40 0.00 0.00 41.96 40.06 1c2y s TYR 7 CO 0.54 -0.48 1.20 -0.24 -1.57 0.00 0.00 175.55 175.00 1c2y h VAL 8 N 5.84 0.00 0.09 0.71 3.04 -1.93 -3.36 116.25 120.64 1c2y h VAL 8 Ca -0.27 -0.69 -0.26 0.00 -1.01 0.00 0.00 66.70 64.47 1c2y h VAL 8 Cb 1.20 1.22 0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1c2y h VAL 8 CO 0.50 0.00 -1.16 0.74 -1.01 0.00 0.00 177.57 176.65 1c2y h THR 9 N 0.00 1.43 -0.41 3.17 2.02 -1.94 -3.35 112.91 113.83 1c2y h THR 9 Ca 0.00 -2.76 -0.29 0.00 0.77 0.00 0.00 66.41 64.13 1c2y h THR 9 Cb 0.84 2.74 -0.10 0.00 -1.74 0.00 0.00 68.15 69.89 1c2y h THR 9 CO 0.00 0.82 -0.00 2.29 0.37 0.00 0.00 175.52 178.99 1c2y n LYS 10 N -3.65 2.00 0.00 6.66 2.85 -1.26 -4.73 118.16 120.04 1c2y n LYS 10 Ca -0.09 -1.40 0.00 0.00 -1.05 0.00 0.00 58.31 55.77 1c2y n LYS 10 Cb 0.96 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 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 1.62 0.00 0.00 0.58 0.00 -1.26 -4.42 120.51 117.03 1c2y n ALA 11 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 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 -0.37 0.00 0.30 0.00 0.00 -1.25 0.17 117.38 116.23 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 0.96 0.00 0.00 0.00 0.00 30.24 31.20 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 -3.53 2.61 4.64 -1.88 -3.14 113.55 112.24 1c2y h SER 13 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.03 0.14 -0.36 -0.87 0.00 0.00 176.83 175.77 1c2y s PHE 14 N -4.31 3.27 -0.15 4.77 0.40 0.13 -5.07 117.98 117.01 1c2y s PHE 14 Ca -0.04 0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.91 1c2y s PHE 14 Cb 0.14 -2.66 0.01 0.00 0.51 0.00 0.00 43.02 41.02 1c2y s PHE 14 CO 0.51 -0.74 -0.21 0.50 0.70 0.00 0.00 175.22 175.98 1c2y s ARG 15 N -4.92 2.96 0.29 0.44 6.06 -1.26 -4.61 118.95 117.91 1c2y s ARG 15 Ca 0.53 -0.83 0.06 0.00 -2.50 0.00 0.00 55.73 52.99 1c2y s ARG 15 Cb -0.10 -2.45 -0.06 0.00 0.06 0.00 0.00 34.95 32.40 1c2y s ARG 15 CO 0.44 -0.09 -0.03 -0.06 -2.50 0.00 0.00 175.30 173.07 1c2y s PHE 16 N 0.99 1.96 -0.05 5.12 0.08 -1.26 0.08 117.98 124.90 1c2y s PHE 16 Ca -0.03 -0.76 -0.04 0.00 0.12 0.00 0.00 56.93 56.23 1c2y s PHE 16 Cb -0.15 -1.17 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 1c2y s PHE 16 CO -0.06 0.22 0.13 0.00 -0.10 0.00 0.00 175.22 175.41 1c2y s ALA 17 N -3.07 -0.27 -0.08 5.36 0.00 -1.07 -2.85 121.76 119.77 1c2y s ALA 17 Ca 0.31 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 1c2y s ALA 17 Cb 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1c2y s ALA 17 CO 0.13 -0.10 -0.03 0.42 0.00 0.00 0.00 175.76 176.18 1c2y s ILE 18 N 0.52 4.07 -0.13 0.00 1.09 0.77 -0.62 121.20 126.90 1c2y s ILE 18 Ca -0.04 -0.35 -0.00 0.00 -1.10 0.00 0.00 60.65 59.17 1c2y s ILE 18 Cb -0.05 -2.70 0.02 0.00 -1.06 0.00 0.00 42.46 38.67 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 -0.86 1.30 0.01 2.92 1.01 0.29 0.28 120.40 125.36 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 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1c2y s VAL 19 CO 0.02 0.40 -0.19 0.68 0.00 0.00 0.00 175.10 176.00 1c2y s VAL 20 N 1.59 1.54 0.07 2.92 -7.23 0.20 -0.02 120.40 119.48 1c2y s VAL 20 Ca 0.05 -0.99 -0.20 0.00 -1.81 0.00 0.00 61.98 59.03 1c2y s VAL 20 Cb -0.13 -1.31 -0.07 0.00 0.56 0.00 0.00 36.38 35.43 1c2y s VAL 20 CO -0.09 0.30 0.59 0.00 -0.31 0.00 0.00 175.10 175.59 1c2y s ALA 21 N -0.62 3.56 0.24 1.32 0.00 -0.86 -0.84 121.76 124.55 1c2y s ALA 21 Ca 0.07 0.07 0.16 0.00 0.00 0.00 0.00 51.96 52.25 1c2y s ALA 21 Cb -0.08 -2.68 0.60 0.00 0.00 0.00 0.00 23.12 20.96 1c2y s ALA 21 CO 0.00 0.36 1.72 -0.09 0.00 0.00 0.00 175.76 177.75 1c2y h ARG 22 N 4.66 0.00 -6.54 0.00 2.43 0.55 -3.44 114.38 112.05 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 0.07 0.00 -0.42 0.00 0.00 29.97 30.83 1c2y h ARG 22 CO 0.64 0.45 0.66 0.34 -1.51 0.00 0.00 179.97 180.55 1c2y n PHE 23 N -3.69 2.15 -2.75 2.20 -0.00 -0.37 -0.73 117.46 114.27 1c2y n PHE 23 Ca -0.01 0.40 -0.18 0.00 -0.00 0.00 0.00 57.45 57.65 1c2y n PHE 23 Cb 0.52 -2.48 0.02 0.00 -0.00 0.00 0.00 39.48 37.55 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 2.56 -5.33 -0.33 -2.13 3.02 -1.26 -4.54 115.26 107.25 1c2y n ASN 24 Ca 0.14 -0.18 0.22 0.00 -0.03 0.00 0.00 54.58 54.73 1c2y n ASN 24 Cb 0.30 -4.23 0.43 0.00 -0.61 0.00 0.00 39.78 35.67 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 -0.86 0.05 -1.34 3.52 4.81 -1.21 0.26 114.58 119.80 1c2y h GLU 25 Ca -0.44 -0.00 0.40 0.00 -0.13 0.00 0.00 59.36 59.19 1c2y h GLU 25 Cb 1.31 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.59 1c2y h GLU 25 CO 0.48 0.04 0.92 0.35 -0.73 0.00 0.00 179.01 180.06 1c2y h PHE 26 N 0.06 0.31 0.00 0.92 3.04 -1.89 0.21 116.94 119.58 1c2y h PHE 26 Ca 0.71 0.01 -0.30 0.00 3.98 0.00 0.00 57.97 62.37 1c2y h PHE 26 Cb 1.68 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 40.06 1c2y h PHE 26 CO -0.23 -0.06 -1.99 0.28 -2.02 0.00 0.00 178.31 174.30 1c2y n VAL 27 N -4.40 1.52 -0.23 1.41 0.31 0.82 -4.39 118.33 113.37 1c2y n VAL 27 Ca 0.33 -0.20 0.03 0.00 -0.01 0.00 0.00 64.34 64.49 1c2y n VAL 27 Cb 1.37 -2.05 0.14 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.50 -0.29 2.52 1.35 -0.50 0.13 112.91 115.63 1c2y h THR 28 Ca -0.46 -0.07 0.05 0.00 -0.55 0.00 0.00 66.41 65.39 1c2y h THR 28 Cb 1.39 0.29 -0.08 0.00 -1.73 0.00 0.00 68.15 68.03 1c2y h THR 28 CO -0.28 0.03 -0.46 -0.09 -0.25 0.00 0.00 175.52 174.47 1c2y h ARG 29 N 0.19 -0.41 -0.14 4.72 9.65 -0.87 0.47 114.38 127.99 1c2y h ARG 29 Ca 0.37 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.33 1c2y h ARG 29 Cb 0.62 0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.23 1c2y h ARG 29 CO -0.52 -0.27 -0.35 0.00 2.80 0.00 0.00 179.97 181.62 1c2y h ARG 30 N -0.43 -0.40 -0.61 0.20 2.47 -1.27 0.32 114.38 114.66 1c2y h ARG 30 Ca 0.10 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.96 1c2y h ARG 30 Cb 0.62 0.09 -0.12 0.00 -1.65 0.00 0.00 29.97 28.91 1c2y h ARG 30 CO -0.51 -0.27 -0.26 1.25 0.56 0.00 0.00 179.97 180.74 1c2y h LEU 31 N -0.42 -0.93 0.50 3.04 5.85 0.10 0.22 115.31 123.67 1c2y h LEU 31 Ca 0.09 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1c2y h LEU 31 Cb 0.57 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1c2y h LEU 31 CO -0.37 -0.27 -0.24 -0.03 -0.34 0.00 0.00 178.44 177.19 1c2y h MET 32 N -0.10 -0.65 -1.01 1.25 4.05 0.12 -1.29 114.93 117.29 1c2y h MET 32 Ca 0.27 0.04 0.30 0.00 -0.28 0.00 0.00 59.70 60.03 1c2y h MET 32 Cb 0.53 0.15 -0.14 0.00 -0.80 0.00 0.00 31.60 31.34 1c2y h MET 32 CO -0.68 -0.40 0.59 0.93 0.23 0.00 0.00 176.91 177.58 1c2y h GLU 33 N -0.74 0.39 0.40 0.39 5.08 0.53 0.18 114.58 120.81 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 29.71 1c2y h GLU 33 CO 0.11 0.26 -0.19 0.78 -1.00 0.00 0.00 179.01 178.97 1c2y h GLY 34 N 0.41 -0.56 0.34 -3.84 0.00 0.48 0.02 103.07 99.92 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 -0.55 -0.20 -0.10 0.00 0.00 0.00 0.00 176.54 175.69 1c2y h ALA 35 N -0.07 0.17 -0.00 3.60 0.00 0.22 -0.10 119.26 123.08 1c2y h ALA 35 Ca -0.05 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1c2y h ALA 35 Cb 0.47 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1c2y h ALA 35 CO 0.09 -0.48 -0.30 1.25 0.00 0.00 0.00 179.25 179.80 1c2y h LEU 36 N -0.03 -0.94 -0.63 0.00 5.85 -0.74 -1.24 115.31 117.58 1c2y h LEU 36 Ca 0.15 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.07 1c2y h LEU 36 Cb 0.26 0.35 -0.11 0.00 0.37 0.00 0.00 40.66 41.53 1c2y h LEU 36 CO -0.33 -0.29 -0.44 -0.78 -0.34 0.00 0.00 178.44 176.25 1c2y h ASP 37 N -0.38 -1.53 -0.85 1.25 1.82 -0.57 0.18 116.42 116.34 1c2y h ASP 37 Ca 0.01 0.25 0.21 0.00 -0.39 0.00 0.00 57.03 57.11 1c2y h ASP 37 Cb 0.41 0.70 -0.13 0.00 0.68 0.00 0.00 39.33 40.99 1c2y h ASP 37 CO -0.20 -0.33 0.28 0.74 -1.61 0.00 0.00 179.24 178.12 1c2y h THR 38 N -0.20 0.43 0.21 2.25 2.02 -0.36 0.41 112.91 117.68 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 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1c2y h THR 38 CO -0.72 0.06 -0.38 -0.26 0.37 0.00 0.00 175.52 174.59 1c2y h PHE 39 N 0.30 -1.03 -0.23 3.16 0.04 0.51 0.26 116.94 119.95 1c2y h PHE 39 Ca 0.52 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.34 1c2y h PHE 39 Cb 0.99 0.43 -0.03 0.00 2.20 0.00 0.00 35.95 39.53 1c2y h PHE 39 CO -0.21 -0.49 0.02 0.87 -0.60 0.00 0.00 178.31 177.89 1c2y h LYS 40 N -0.67 0.09 -1.03 1.51 1.79 -0.65 0.15 116.57 117.76 1c2y h LYS 40 Ca 0.01 -0.01 0.27 0.00 -2.18 0.00 0.00 60.65 58.74 1c2y h LYS 40 Cb 0.66 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.21 1c2y h LYS 40 CO -0.17 0.06 0.68 -0.22 -1.08 0.00 0.00 179.45 178.73 1c2y h LYS 41 N 0.10 0.30 -1.41 3.15 3.64 0.47 0.68 116.57 123.49 1c2y h LYS 41 Ca 0.11 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.88 1c2y h LYS 41 Cb 0.13 -0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 31.64 1c2y h LYS 41 CO -0.17 0.20 0.75 0.66 -2.27 0.00 0.00 179.45 178.62 1c2y n TYR 42 N -4.51 2.62 -0.35 1.91 4.02 0.84 -4.87 117.16 116.82 1c2y n TYR 42 Ca 0.24 -2.54 0.00 0.00 -0.01 0.00 0.00 57.90 55.59 1c2y n TYR 42 Cb 0.91 -1.28 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 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 -0.36 -1.42 -4.76 7.72 3.41 0.24 -4.20 113.62 114.24 1c2y n SER 43 Ca 0.52 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 1c2y n SER 43 Cb 0.55 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.95 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 -0.46 3.17 -0.26 -3.33 0.11 -0.98 -3.74 120.40 114.91 1c2y s VAL 44 Ca 0.00 1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 60.19 1c2y s VAL 44 Cb 0.00 -3.74 0.15 0.00 -1.53 0.00 0.00 36.38 31.26 1c2y s VAL 44 CO 0.00 0.27 0.45 0.21 -3.33 0.00 0.00 175.10 172.71 1c2y s ASN 45 N -0.64 -0.33 0.00 3.54 3.84 -1.19 -4.38 114.94 115.78 1c2y s ASN 45 Ca 0.47 0.46 0.00 0.00 0.21 0.00 0.00 52.86 54.00 1c2y s ASN 45 Cb -0.35 1.48 0.00 0.00 -0.55 0.00 0.00 41.25 41.83 1c2y s ASN 45 CO 0.46 -0.29 0.75 1.21 -2.79 0.00 0.00 177.10 176.44 1c2y n GLU 46 N 5.39 0.00 -4.10 0.43 2.13 -1.26 -4.82 120.64 118.41 1c2y n GLU 46 Ca -0.03 -0.70 -0.28 0.00 0.66 0.00 0.00 57.16 56.81 1c2y n GLU 46 Cb 0.50 0.44 -0.08 0.00 0.27 0.00 0.00 31.44 32.57 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 0.51 0.00 4.31 2.03 -1.26 -4.71 116.55 117.43 1c2y n ASP 47 Ca -0.20 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 53.99 1c2y n ASP 47 Cb 0.58 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 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 -4.19 0.00 -2.77 5.18 -0.00 -1.26 -4.88 119.36 111.44 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 7.39 -0.23 7.28 1.11 -1.13 -4.90 116.67 126.18 1c2y s ASP 49 Ca 0.00 1.67 -0.01 0.00 0.18 0.00 0.00 52.55 54.38 1c2y s ASP 49 Cb 0.00 -2.56 0.02 0.00 1.07 0.00 0.00 42.92 41.45 1c2y s ASP 49 CO 0.00 -0.14 -0.09 0.68 1.18 0.00 0.00 175.17 176.80 1c2y s VAL 50 N 0.46 2.77 -0.23 -1.27 -7.23 -1.26 -0.16 120.40 113.48 1c2y s VAL 50 Ca 0.48 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.68 1c2y s VAL 50 Cb -0.22 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1c2y s VAL 50 CO 0.28 0.33 0.07 -0.69 -0.31 0.00 0.00 175.10 174.77 1c2y s VAL 51 N 1.35 4.41 -0.12 1.32 1.01 0.14 -4.97 120.40 123.55 1c2y s VAL 51 Ca 0.02 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1c2y s VAL 51 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1c2y s VAL 51 CO -0.06 0.36 0.45 0.26 0.00 0.00 0.00 175.10 176.11 1c2y s TRP 52 N 1.35 3.51 0.05 5.22 0.52 -1.26 -0.63 118.94 127.71 1c2y s TRP 52 Ca 0.05 0.85 0.06 0.00 0.02 0.00 0.00 56.10 57.09 1c2y s TRP 52 Cb -0.15 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.63 1c2y s TRP 52 CO 0.04 0.19 -0.17 0.14 0.02 0.00 0.00 176.95 177.16 1c2y s VAL 53 N 0.55 1.40 0.10 4.03 -7.23 -0.02 -4.95 120.40 114.28 1c2y s VAL 53 Ca 0.25 -1.18 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 1c2y s VAL 53 Cb -0.15 -1.25 -0.11 0.00 0.56 0.00 0.00 36.38 35.43 1c2y s VAL 53 CO 0.09 0.04 1.73 1.55 -0.31 0.00 0.00 175.10 178.21 1c2y h PRO 54 N 4.71 0.14 -5.34 4.82 0.13 -1.94 0.25 132.00 134.78 1c2y h PRO 54 Ca -0.41 -0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 64.31 1c2y h PRO 54 Cb 1.17 -0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 1c2y h PRO 54 CO 0.43 0.12 -0.73 0.20 -0.23 0.00 0.00 178.00 177.79 1c2y s GLY 55 N -2.35 1.21 0.49 1.56 0.00 -1.26 -1.24 107.32 105.73 1c2y s GLY 55 Ca -0.13 -1.52 0.24 0.00 0.00 0.00 0.00 44.72 43.32 1c2y s GLY 55 CO 0.68 -1.61 1.91 0.00 0.00 0.00 0.00 173.10 174.08 1c2y h ALA 56 N 2.85 2.50 -0.70 3.20 0.00 -1.93 0.16 119.26 125.34 1c2y h ALA 56 Ca -0.38 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.63 1c2y h ALA 56 Cb 1.20 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1c2y h ALA 56 CO 0.60 -0.73 0.31 -0.92 0.00 0.00 0.00 179.25 178.51 1c2y h TYR 57 N 0.17 0.55 -0.77 0.00 5.03 -1.94 -1.91 116.97 118.10 1c2y h TYR 57 Ca 0.39 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.84 1c2y h TYR 57 Cb 1.29 -0.14 -0.05 0.00 1.55 0.00 0.00 36.73 39.37 1c2y h TYR 57 CO -0.00 0.16 0.50 0.93 -1.32 0.00 0.00 178.16 178.43 1c2y h GLU 58 N 0.52 0.62 -0.81 1.82 3.07 -1.10 -3.04 114.58 115.66 1c2y h GLU 58 Ca 0.36 -0.04 0.14 0.00 -0.50 0.00 0.00 59.36 59.32 1c2y h GLU 58 Cb 0.43 -0.14 -0.14 0.00 -0.84 0.00 0.00 28.75 28.06 1c2y h GLU 58 CO -0.31 0.41 -0.26 1.28 -1.40 0.00 0.00 179.01 178.73 1c2y n LEU 59 N -4.50 -0.40 0.00 1.33 4.77 -0.72 -2.51 117.00 114.96 1c2y n LEU 59 Ca 0.13 1.40 0.00 0.00 -0.03 0.00 0.00 56.01 57.51 1c2y n LEU 59 Cb 0.37 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1c2y n LEU 59 CO 0.32 -1.30 0.30 0.61 -1.33 0.00 0.00 177.39 175.99 1c2y n GLY 60 N -1.45 -3.31 0.25 -0.72 0.00 -1.15 -0.48 105.19 98.33 1c2y n GLY 60 Ca 0.11 0.69 -0.03 0.00 0.00 0.00 0.00 46.02 46.79 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 1.00 -0.25 1.61 -1.51 -1.76 0.12 116.25 115.46 1c2y h VAL 61 Ca 0.00 -0.23 0.06 0.00 -1.23 0.00 0.00 66.70 65.29 1c2y h VAL 61 Cb 0.00 0.26 -0.06 0.00 -2.13 0.00 0.00 31.29 29.36 1c2y h VAL 61 CO 0.00 0.12 -0.13 0.74 -1.23 0.00 0.00 177.57 177.07 1c2y h THR 62 N 0.68 0.60 0.51 7.19 2.02 -1.14 0.22 112.91 122.98 1c2y h THR 62 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 1c2y h THR 62 Cb 0.13 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1c2y h THR 62 CO -0.16 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.49 1c2y h ALA 63 N 1.09 -0.68 -0.67 6.16 0.00 -0.24 -1.85 119.26 123.07 1c2y h ALA 63 Ca 0.13 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1c2y h ALA 63 Cb 0.31 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1c2y h ALA 63 CO -0.31 -0.88 -0.32 0.94 0.00 0.00 0.00 179.25 178.68 1c2y n GLN 64 N -5.38 -0.22 0.00 0.00 -0.06 0.38 0.11 117.38 112.21 1c2y n GLN 64 Ca -0.12 1.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.90 1c2y n GLN 64 Cb 0.28 -1.51 0.00 0.00 -4.06 0.00 0.00 30.24 24.95 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 -3.58 -0.39 -0.33 1.69 0.00 0.65 -1.27 120.51 117.29 1c2y n ALA 65 Ca 0.04 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.74 1c2y n ALA 65 Cb 0.23 0.07 0.48 0.00 0.00 0.00 0.00 19.45 20.23 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 0.04 0.12 0.00 3.38 -0.26 0.55 115.31 119.14 1c2y h LEU 66 Ca 0.00 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1c2y h LEU 66 Cb 0.00 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1c2y h LEU 66 CO 0.00 -0.40 -0.06 1.23 0.09 0.00 0.00 178.44 179.30 1c2y h GLY 67 N 0.01 -0.16 2.00 0.83 0.00 -0.11 -2.74 103.07 102.90 1c2y h GLY 67 Ca 0.76 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 48.14 1c2y h GLY 67 CO -0.82 -0.06 -0.03 0.50 0.00 0.00 0.00 176.54 176.13 1c2y h LYS 68 N -0.36 0.00 0.00 4.80 1.57 0.14 -1.67 116.57 121.04 1c2y h LYS 68 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1c2y h LYS 68 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1c2y h LYS 68 CO 0.03 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 177.81 1c2y n SER 69 N -3.22 0.00 0.00 0.86 3.41 0.01 -4.79 113.62 109.89 1c2y n SER 69 Ca -0.01 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1c2y n SER 69 Cb 0.20 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 -0.48 0.00 0.10 5.00 0.00 -0.63 -4.75 105.19 104.44 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 0.12 -6.21 1.61 1.57 -1.81 -3.46 116.57 108.40 1c2y h LYS 71 Ca 0.00 -0.16 -0.54 0.00 -1.87 0.00 0.00 60.65 58.09 1c2y h LYS 71 Cb 0.49 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 1c2y h LYS 71 CO 0.00 0.97 -0.58 0.71 -0.57 0.00 0.00 179.45 179.98 1c2y s TYR 72 N -3.01 2.93 -0.13 -1.35 1.51 -1.26 -4.80 117.35 111.24 1c2y s TYR 72 Ca -0.02 -0.15 0.20 0.00 -1.01 0.00 0.00 57.07 56.09 1c2y s TYR 72 Cb 0.10 -1.32 -0.19 0.00 -0.11 0.00 0.00 41.96 40.44 1c2y s TYR 72 CO 0.83 0.56 0.63 0.72 -1.11 0.00 0.00 175.55 177.18 1c2y n HIS 73 N -0.96 0.50 -3.63 2.71 8.25 0.11 -4.94 115.22 117.26 1c2y n HIS 73 Ca -0.07 0.16 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 1c2y n HIS 73 Cb 0.58 -0.85 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 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 -3.15 -1.84 -0.08 -1.41 0.00 -1.25 -4.24 121.76 109.80 1c2y s ALA 74 Ca -0.05 2.07 0.05 0.00 0.00 0.00 0.00 51.96 54.03 1c2y s ALA 74 Cb 0.10 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1c2y s ALA 74 CO 0.84 -0.33 -0.25 0.96 0.00 0.00 0.00 175.76 176.99 1c2y s ILE 75 N 0.58 2.06 -0.16 0.00 -0.00 -0.39 -2.59 121.20 120.70 1c2y s ILE 75 Ca -0.01 -1.05 -0.04 0.00 -0.00 0.00 0.00 60.65 59.56 1c2y s ILE 75 Cb -0.05 -1.76 -0.03 0.00 -0.00 0.00 0.00 42.46 40.63 1c2y s ILE 75 CO -0.04 0.57 -0.04 0.54 -0.00 0.00 0.00 174.94 175.97 1c2y s VAL 76 N 0.06 3.85 -0.18 8.37 0.11 0.21 -0.20 120.40 132.62 1c2y s VAL 76 Ca -0.10 -0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 58.53 1c2y s VAL 76 Cb -0.16 -2.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.98 1c2y s VAL 76 CO 0.06 0.49 -0.02 0.00 -3.33 0.00 0.00 175.10 172.30 1c2y s LEU 78 N 0.66 2.46 -0.06 0.00 1.02 0.98 0.14 118.68 123.87 1c2y s LEU 78 Ca -0.02 -0.48 -0.32 0.00 0.02 0.00 0.00 54.13 53.34 1c2y s LEU 78 Cb -0.14 -1.44 0.14 0.00 0.02 0.00 0.00 46.19 44.77 1c2y s LEU 78 CO 0.02 0.26 1.37 -0.83 0.02 0.00 0.00 176.35 177.19 1c2y s GLY 79 N -1.35 -0.47 -0.16 -3.19 0.00 -1.06 -2.03 107.32 99.06 1c2y s GLY 79 Ca 0.13 0.85 -0.07 0.00 0.00 0.00 0.00 44.72 45.63 1c2y s GLY 79 CO 0.04 0.15 0.36 0.00 0.00 0.00 0.00 173.10 173.66 1c2y s ALA 80 N -2.20 -0.93 -0.30 3.20 0.00 -1.26 -0.34 121.76 119.92 1c2y s ALA 80 Ca 0.15 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1c2y s ALA 80 Cb 0.07 -1.06 0.09 0.00 0.00 0.00 0.00 23.12 22.21 1c2y s ALA 80 CO -0.06 -0.52 0.03 0.54 0.00 0.00 0.00 175.76 175.76 1c2y s VAL 81 N 2.05 1.68 0.11 0.00 0.11 0.23 -4.72 120.40 119.87 1c2y s VAL 81 Ca -0.04 -1.75 -0.26 0.00 -2.93 0.00 0.00 61.98 56.99 1c2y s VAL 81 Cb -0.11 -2.15 -0.07 0.00 -1.53 0.00 0.00 36.38 32.53 1c2y s VAL 81 CO -0.11 -0.46 0.81 0.68 -3.33 0.00 0.00 175.10 172.69 1c2y s VAL 82 N 1.24 4.51 -1.06 2.04 -7.23 -1.26 -3.94 120.40 114.71 1c2y s VAL 82 Ca 0.05 1.76 -0.24 0.00 -1.81 0.00 0.00 61.98 61.74 1c2y s VAL 82 Cb -0.19 -4.17 -0.11 0.00 0.56 0.00 0.00 36.38 32.47 1c2y s VAL 82 CO -0.12 0.43 2.02 -0.75 -0.31 0.00 0.00 175.10 176.36 1c2y s LYS 83 N -0.54 2.18 -0.04 4.82 2.20 0.28 -4.72 119.74 123.93 1c2y s LYS 83 Ca 0.39 -0.65 -0.13 0.00 -0.36 0.00 0.00 55.97 55.22 1c2y s LYS 83 Cb -0.22 -5.11 -0.07 0.00 -1.51 0.00 0.00 37.83 30.92 1c2y s LYS 83 CO 0.26 -4.16 0.56 0.78 -0.36 0.00 0.00 175.35 172.43 1c2y h GLY 84 N 19.10 -0.48 0.00 5.54 0.00 -1.91 -3.41 103.07 121.90 1c2y h GLY 84 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1c2y h GLY 84 CO 1.16 -0.17 0.00 1.22 0.00 0.00 0.00 176.54 178.75 1c2y n ASP 85 N -4.80 0.00 -4.00 0.19 8.00 -1.26 -5.12 116.55 109.56 1c2y n ASP 85 Ca -0.06 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.15 1c2y n ASP 85 Cb 0.18 0.00 0.23 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 0.26 1.70 -1.02 -3.53 -4.23 -1.26 -4.90 115.64 102.65 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 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.37 1c2y s THR 86 CO 0.00 0.00 1.14 -1.54 -0.54 0.00 0.00 174.62 173.68 1c2y n SER 87 N -4.61 0.00 -0.32 3.99 3.41 -1.26 -1.77 113.62 113.05 1c2y n SER 87 Ca 0.12 0.48 0.20 0.00 -0.26 0.00 0.00 58.87 59.41 1c2y n SER 87 Cb 0.59 -0.49 0.41 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.74 -0.25 7.33 6.17 -1.99 1.16 115.15 128.31 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 -0.17 -0.05 0.00 2.52 0.00 0.00 27.41 29.79 1c2y h HIS 88 CO 0.00 -0.17 -0.30 -0.92 0.71 0.00 0.00 177.93 177.24 1c2y h TYR 89 N 0.30 -0.94 -0.33 5.26 3.20 -1.71 0.11 116.97 122.87 1c2y h TYR 89 Ca 0.67 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.63 1c2y h TYR 89 Cb 1.46 0.44 -0.08 0.00 1.54 0.00 0.00 36.73 40.09 1c2y h TYR 89 CO -0.10 -0.26 -0.56 -0.44 -1.64 0.00 0.00 178.16 175.17 1c2y h ASP 90 N -0.20 -1.83 -0.59 -2.11 3.32 0.11 0.19 116.42 115.30 1c2y h ASP 90 Ca 0.04 0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.38 1c2y h ASP 90 Cb 0.32 0.74 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1c2y h ASP 90 CO -0.34 -0.43 -0.35 0.00 -1.72 0.00 0.00 179.24 176.40 1c2y n ALA 91 N -3.06 -0.38 0.20 3.45 0.00 -0.15 0.43 120.51 121.01 1c2y n ALA 91 Ca -0.04 0.51 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 1c2y n ALA 91 Cb 0.35 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.96 0.00 2.07 -0.29 -1.44 116.25 115.63 1c2y h VAL 92 Ca 0.10 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.86 1c2y h VAL 92 Cb 0.24 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.83 1c2y h VAL 92 CO -0.56 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 177.57 1c2y h VAL 93 N -0.68 0.05 0.83 2.57 2.07 0.47 0.59 116.25 122.15 1c2y h VAL 93 Ca -0.04 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1c2y h VAL 93 Cb 0.58 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1c2y h VAL 93 CO -0.03 0.00 -0.40 0.78 0.02 0.00 0.00 177.57 177.94 1c2y h ASN 94 N 0.02 -0.94 -0.64 0.57 2.35 0.31 -0.12 115.58 117.12 1c2y h ASN 94 Ca 0.55 0.03 0.14 0.00 -0.55 0.00 0.00 56.30 56.47 1c2y h ASN 94 Cb 1.05 0.24 -0.11 0.00 0.05 0.00 0.00 38.32 39.55 1c2y h ASN 94 CO -0.92 -0.60 -0.01 0.28 -1.65 0.00 0.00 177.43 174.53 1c2y h SER 95 N -1.26 -0.31 0.15 5.81 0.02 0.09 0.72 113.55 118.78 1c2y h SER 95 Ca -0.11 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1c2y h SER 95 Cb 0.85 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1c2y h SER 95 CO 0.19 -0.13 -0.20 0.00 -1.14 0.00 0.00 176.83 175.55 1c2y h ALA 96 N 1.59 -0.85 -0.21 3.77 0.00 0.18 0.54 119.26 124.27 1c2y h ALA 96 Ca 0.34 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1c2y h ALA 96 Cb 0.55 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1c2y h ALA 96 CO -0.56 -0.88 -0.54 1.03 0.00 0.00 0.00 179.25 178.30 1c2y h SER 97 N -0.36 -1.74 -0.59 0.00 0.87 0.32 -1.17 113.55 110.88 1c2y h SER 97 Ca -0.02 0.21 0.12 0.00 -1.23 0.00 0.00 61.79 60.88 1c2y h SER 97 Cb 0.32 0.69 -0.10 0.00 -0.44 0.00 0.00 62.40 62.87 1c2y h SER 97 CO -0.05 -0.45 -0.00 -1.28 -0.53 0.00 0.00 176.83 174.52 1c2y h SER 98 N -0.52 -0.27 0.25 6.23 0.87 0.56 -0.86 113.55 119.81 1c2y h SER 98 Ca 0.04 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1c2y h SER 98 Cb 0.64 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 1c2y h SER 98 CO -0.47 -0.11 -0.52 1.23 -0.53 0.00 0.00 176.83 176.43 1c2y h GLY 99 N 0.11 -1.20 0.20 5.77 0.00 0.12 0.15 103.07 108.24 1c2y h GLY 99 Ca 0.31 0.63 0.17 0.00 0.00 0.00 0.00 47.33 48.44 1c2y h GLY 99 CO -0.51 -0.30 0.59 -2.08 0.00 0.00 0.00 176.54 174.24 1c2y h VAL 100 N -0.85 0.75 0.29 4.60 2.07 -0.80 0.26 116.25 122.58 1c2y h VAL 100 Ca -0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1c2y h VAL 100 Cb 0.80 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1c2y h VAL 100 CO -0.21 0.14 -0.14 0.25 0.02 0.00 0.00 177.57 177.63 1c2y h LEU 101 N 0.79 -0.34 -0.92 2.57 5.85 -0.24 -1.66 115.31 121.36 1c2y h LEU 101 Ca 0.55 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.49 1c2y h LEU 101 Cb 0.79 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 41.73 1c2y h LEU 101 CO -0.36 -0.24 -0.13 0.28 -0.34 0.00 0.00 178.44 177.65 1c2y h SER 102 N -0.40 -0.69 0.09 1.25 0.02 0.26 0.90 113.55 114.99 1c2y h SER 102 Ca -0.04 0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1c2y h SER 102 Cb 0.30 0.52 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1c2y h SER 102 CO 0.07 -0.30 -0.37 0.00 -1.14 0.00 0.00 176.83 175.08 1c2y h ALA 103 N 1.91 -0.87 -0.61 3.77 0.00 -0.40 0.42 119.26 123.49 1c2y h ALA 103 Ca 0.48 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.44 1c2y h ALA 103 Cb 0.84 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 19.27 1c2y h ALA 103 CO -0.91 -0.96 -0.17 0.78 0.00 0.00 0.00 179.25 177.99 1c2y h GLY 104 N -0.53 0.40 0.95 0.00 0.00 0.11 0.33 103.07 104.33 1c2y h GLY 104 Ca -0.00 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1c2y h GLY 104 CO -0.20 -0.23 -0.26 1.41 0.00 0.00 0.00 176.54 177.25 1c2y h LEU 105 N -0.02 -0.62 -0.73 3.11 -0.00 -0.39 0.34 115.31 117.01 1c2y h LEU 105 Ca 0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.16 1c2y h LEU 105 Cb 0.46 0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.24 1c2y h LEU 105 CO -0.64 -0.40 0.43 0.78 -0.00 0.00 0.00 178.44 178.62 1c2y h ASN 106 N -0.79 0.88 1.55 -0.43 2.35 0.44 -2.37 115.58 117.21 1c2y h ASN 106 Ca -0.07 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1c2y h ASN 106 Cb 0.59 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1c2y h ASN 106 CO 0.12 0.69 -0.24 0.77 -1.65 0.00 0.00 177.43 177.12 1c2y h SER 107 N 0.99 0.00 -0.13 5.81 4.64 -0.33 -3.46 113.55 121.08 1c2y h SER 107 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1c2y h SER 107 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1c2y h SER 107 CO -0.05 0.24 -0.05 0.61 -0.87 0.00 0.00 176.83 176.72 1c2y n GLY 108 N 0.93 0.53 3.34 -0.77 0.00 0.12 -4.84 105.19 104.50 1c2y n GLY 108 Ca 0.02 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 2.80 0.05 1.61 1.01 -0.97 -5.02 120.40 118.06 1c2y s VAL 109 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 1c2y s VAL 109 Cb 0.00 -2.14 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 1c2y s VAL 109 CO 0.00 0.54 1.91 -2.65 0.00 0.00 0.00 175.10 174.90 1c2y n PRO 110 N 3.40 2.73 -4.06 2.72 -0.02 -1.26 -4.07 135.00 134.44 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 1.18 4.81 -1.16 0.00 1.01 0.72 -4.85 120.40 122.10 1c2y s VAL 112 Ca -0.05 2.01 -0.18 0.00 0.00 0.00 0.00 61.98 63.77 1c2y s VAL 112 Cb -0.18 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 32.00 1c2y s VAL 112 CO -0.06 0.04 1.51 0.12 0.00 0.00 0.00 175.10 176.71 1c2y s PHE 113 N 1.79 2.97 -0.91 5.22 5.36 -1.26 -0.40 117.98 130.75 1c2y s PHE 113 Ca 0.48 -1.57 -0.00 0.00 -0.96 0.00 0.00 56.93 54.88 1c2y s PHE 113 Cb -0.19 -4.56 0.33 0.00 -0.34 0.00 0.00 43.02 38.27 1c2y s PHE 113 CO 0.20 -1.68 1.74 0.41 -1.46 0.00 0.00 175.22 174.42 1c2y n GLY 114 N 5.38 5.94 3.14 13.12 0.00 0.12 -4.95 105.19 127.93 1c2y n GLY 114 Ca 0.39 -2.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 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 -4.57 1.68 0.27 1.61 0.11 -1.25 -2.56 120.40 115.69 1c2y s VAL 115 Ca 0.43 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 58.39 1c2y s VAL 115 Cb 0.26 -1.48 -0.09 0.00 -1.53 0.00 0.00 36.38 33.54 1c2y s VAL 115 CO -0.20 0.48 1.07 -0.76 -3.33 0.00 0.00 175.10 172.36 1c2y s LEU 116 N 0.51 4.57 -0.32 2.54 1.43 0.53 -4.92 118.68 123.03 1c2y s LEU 116 Ca -0.16 2.22 0.17 0.00 -1.03 0.00 0.00 54.13 55.32 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 0.06 -0.09 1.03 0.35 0.23 0.00 0.00 176.35 177.93 1c2y n THR 117 N 1.23 1.35 -2.06 5.49 -2.24 -1.26 -0.60 114.28 116.19 1c2y n THR 117 Ca -0.01 -3.32 -0.28 0.00 -2.27 0.00 0.00 64.05 58.17 1c2y n THR 117 Cb 0.45 0.49 0.10 0.00 -2.10 0.00 0.00 70.33 69.28 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 -3.24 0.00 -4.89 0.00 8.00 -1.26 -1.85 116.55 113.31 1c2y n ASP 119 Ca 0.10 0.47 -0.30 0.00 0.71 0.00 0.00 54.79 55.77 1c2y n ASP 119 Cb 0.60 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 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 -3.03 6.51 0.20 -2.24 2.20 -1.26 -0.56 114.94 116.75 1c2y s ASN 120 Ca 0.00 0.89 -0.13 0.00 -0.94 0.00 0.00 52.86 52.67 1c2y s ASN 120 Cb 0.00 -2.22 0.23 0.00 -2.00 0.00 0.00 41.25 37.26 1c2y s ASN 120 CO 0.00 -0.23 1.66 -0.03 -2.94 0.00 0.00 177.10 175.55 1c2y h MET 121 N 1.71 0.06 -0.56 3.55 1.85 -1.93 -2.39 114.93 117.22 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 1.19 -0.01 -0.10 0.00 0.43 0.00 0.00 31.60 33.10 1c2y h MET 121 CO 0.66 0.04 -0.05 0.22 -0.40 0.00 0.00 176.91 177.38 1c2y h ASP 122 N 0.06 -0.34 -0.66 1.39 3.58 -1.99 0.40 116.42 118.86 1c2y h ASP 122 Ca 0.28 0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.98 1c2y h ASP 122 Cb 0.44 0.28 -0.07 0.00 1.72 0.00 0.00 39.33 41.70 1c2y h ASP 122 CO -0.52 -0.13 0.29 1.56 -2.88 0.00 0.00 179.24 177.55 1c2y h GLN 123 N 0.07 0.47 0.31 0.28 4.20 -1.84 -1.25 115.11 117.36 1c2y h GLN 123 Ca 0.29 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1c2y h GLN 123 Cb 0.45 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1c2y h GLN 123 CO -0.51 0.31 -0.28 0.00 -0.67 0.00 0.00 178.83 177.68 1c2y h ALA 124 N 1.44 -0.60 -1.07 3.87 0.00 -0.94 -1.15 119.26 120.80 1c2y h ALA 124 Ca 0.34 -0.10 0.35 0.00 0.00 0.00 0.00 54.91 55.50 1c2y h ALA 124 Cb 0.40 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.44 1c2y h ALA 124 CO -0.30 -0.87 0.63 0.82 0.00 0.00 0.00 179.25 179.53 1c2y h ILE 125 N -0.61 0.25 -0.17 0.00 1.08 0.04 0.92 117.51 119.03 1c2y h ILE 125 Ca -0.02 -0.09 -0.12 0.00 -0.39 0.00 0.00 64.86 64.25 1c2y h ILE 125 Cb 0.55 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 1c2y h ILE 125 CO -0.04 0.05 -0.41 0.78 -0.69 0.00 0.00 178.15 177.83 1c2y h ASN 126 N 0.25 0.43 1.52 1.72 2.35 -0.38 -2.41 115.58 119.05 1c2y h ASN 126 Ca 0.75 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.32 1c2y h ASN 126 Cb 1.90 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.15 1c2y h ASN 126 CO -0.55 0.79 0.00 0.03 -1.65 0.00 0.00 177.43 176.05 1c2y h ARG 127 N 0.33 0.00 -2.10 0.81 2.47 0.13 0.18 114.38 116.21 1c2y h ARG 127 Ca 0.03 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 58.04 1c2y h ARG 127 Cb 0.87 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 28.96 1c2y h ARG 127 CO 0.07 0.00 1.01 0.00 0.56 0.00 0.00 179.97 181.61 1c2y n ALA 128 N -2.02 6.46 -0.41 0.04 0.00 -0.29 -0.32 120.51 123.96 1c2y n ALA 128 Ca 0.03 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.54 1c2y n ALA 128 Cb 0.42 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 0.11 0.83 0.00 0.00 0.00 0.32 -4.84 105.19 101.62 1c2y n GLY 129 Ca 0.52 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.23 1.92 0.00 -0.02 0.00 0.58 -4.85 105.19 100.59 1c2y n GLY 130 Ca 0.00 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 0.47 -0.21 1.61 2.85 -1.25 -1.00 118.16 120.63 1c2y n LYS 131 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1c2y n LYS 131 Cb 0.00 -1.45 0.20 0.00 -0.65 0.00 0.00 35.03 33.13 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 -0.95 2.35 0.00 0.58 0.00 -0.91 -5.06 120.51 116.52 1c2y n ALA 132 Ca 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1c2y n ALA 132 Cb 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.16 -0.67 2.63 0.00 0.00 -0.17 -4.68 105.19 103.46 1c2y n GLY 133 Ca 0.17 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 2.48 0.24 1.61 3.84 -1.17 0.12 114.94 118.06 1c2y s ASN 134 Ca 0.00 -0.79 -0.06 0.00 0.21 0.00 0.00 52.86 52.22 1c2y s ASN 134 Cb 0.00 -0.06 0.34 0.00 -0.55 0.00 0.00 41.25 40.98 1c2y s ASN 134 CO 0.00 -0.38 1.83 0.50 -2.79 0.00 0.00 177.10 176.26 1c2y h LYS 135 N 8.38 0.82 -0.16 0.43 3.64 -0.99 -1.66 116.57 127.03 1c2y h LYS 135 Ca -0.17 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1c2y h LYS 135 Cb 1.09 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1c2y h LYS 135 CO 0.35 0.54 -0.43 0.78 -2.27 0.00 0.00 179.45 178.42 1c2y h GLY 136 N 0.85 -1.20 0.25 5.01 0.00 -1.81 0.48 103.07 106.65 1c2y h GLY 136 Ca 0.37 0.70 0.07 0.00 0.00 0.00 0.00 47.33 48.46 1c2y h GLY 136 CO -0.20 -0.27 -0.16 0.00 0.00 0.00 0.00 176.54 175.91 1c2y h ALA 137 N -0.48 0.06 -0.53 3.60 0.00 -1.62 -0.47 119.26 119.82 1c2y h ALA 137 Ca 0.03 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1c2y h ALA 137 Cb 0.52 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1c2y h ALA 137 CO -0.38 -0.55 0.02 0.93 0.00 0.00 0.00 179.25 179.27 1c2y h GLU 138 N -0.12 0.14 -0.54 0.00 5.08 -0.34 0.61 114.58 119.41 1c2y h GLU 138 Ca 0.15 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1c2y h GLU 138 Cb 0.35 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1c2y h GLU 138 CO -0.36 0.09 0.28 0.77 -1.00 0.00 0.00 179.01 178.79 1c2y h SER 139 N 0.14 0.42 0.40 1.42 0.02 0.15 0.73 113.55 116.82 1c2y h SER 139 Ca 0.27 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1c2y h SER 139 Cb 0.41 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1c2y h SER 139 CO -0.43 0.28 -0.36 0.00 -1.14 0.00 0.00 176.83 175.19 1c2y h ALA 140 N 1.28 -0.79 -0.68 3.77 0.00 0.35 0.24 119.26 123.43 1c2y h ALA 140 Ca 0.24 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1c2y h ALA 140 Cb 0.13 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 1c2y h ALA 140 CO -0.16 -0.98 -0.00 1.25 0.00 0.00 0.00 179.25 179.36 1c2y h LEU 141 N -0.77 -0.31 -0.53 0.00 7.12 -0.66 0.40 115.31 120.56 1c2y h LEU 141 Ca -0.03 0.17 0.01 0.00 0.13 0.00 0.00 57.88 58.16 1c2y h LEU 141 Cb 0.68 0.31 -0.03 0.00 -0.53 0.00 0.00 40.66 41.09 1c2y h LEU 141 CO -0.04 -0.14 0.35 0.74 -0.13 0.00 0.00 178.44 179.22 1c2y h THR 142 N 0.11 1.13 -0.43 1.05 2.02 0.02 -1.05 112.91 115.75 1c2y h THR 142 Ca 0.36 -0.24 0.09 0.00 0.77 0.00 0.00 66.41 67.39 1c2y h THR 142 Cb 0.60 0.36 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 1c2y h THR 142 CO -0.59 0.13 -0.17 0.00 0.37 0.00 0.00 175.52 175.26 1c2y h ALA 143 N 1.20 0.19 0.06 6.16 0.00 0.31 0.21 119.26 127.39 1c2y h ALA 143 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1c2y h ALA 143 Cb -0.08 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1c2y h ALA 143 CO -0.05 -0.51 -0.22 0.82 0.00 0.00 0.00 179.25 179.29 1c2y h ILE 144 N -0.07 0.00 -0.84 0.00 2.04 -0.40 0.24 117.51 118.47 1c2y h ILE 144 Ca 0.21 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.28 1c2y h ILE 144 Cb 0.40 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.35 1c2y h ILE 144 CO -0.49 0.00 0.24 -0.08 0.00 0.00 0.00 178.15 177.82 1c2y h GLU 145 N -0.32 0.24 -0.11 2.37 4.81 -0.20 -0.01 114.58 121.37 1c2y h GLU 145 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1c2y h GLU 145 Cb 0.32 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1c2y h GLU 145 CO -0.11 0.16 0.04 0.52 -0.73 0.00 0.00 179.01 178.89 1c2y h MET 146 N 0.25 0.17 0.29 1.92 2.86 0.04 0.16 114.93 120.62 1c2y h MET 146 Ca 0.51 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1c2y h MET 146 Cb 0.98 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 1c2y h MET 146 CO -0.60 0.31 -0.44 0.00 1.06 0.00 0.00 176.91 177.24 1c2y h ALA 147 N 0.85 -1.03 -0.69 6.32 0.00 0.77 -0.60 119.26 124.89 1c2y h ALA 147 Ca 0.04 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1c2y h ALA 147 Cb 0.21 0.74 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 1c2y h ALA 147 CO -0.00 -1.09 -0.14 1.03 0.00 0.00 0.00 179.25 179.05 1c2y h SER 148 N -0.77 -0.58 -0.60 0.00 0.87 -1.01 0.31 113.55 111.77 1c2y h SER 148 Ca -0.03 0.20 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 1c2y h SER 148 Cb 0.71 0.41 -0.09 0.00 -0.44 0.00 0.00 62.40 62.98 1c2y h SER 148 CO -0.13 -0.21 0.10 0.25 -0.53 0.00 0.00 176.83 176.30 1c2y h LEU 149 N 0.02 -0.05 -1.95 2.23 5.85 0.05 0.58 115.31 122.04 1c2y h LEU 149 Ca 0.34 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.23 1c2y h LEU 149 Cb 0.53 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1c2y h LEU 149 CO -0.69 -0.02 0.14 -0.26 -0.34 0.00 0.00 178.44 177.28 1c2y h PHE 150 N 0.23 0.06 -2.80 1.25 -1.00 0.12 -0.06 116.94 114.74 1c2y h PHE 150 Ca 0.32 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.42 1c2y h PHE 150 Cb 0.49 -0.02 -0.37 0.00 3.61 0.00 0.00 35.95 39.66 1c2y h PHE 150 CO -0.27 0.03 -0.11 0.39 -1.61 0.00 0.00 178.31 176.74 1c2y n GLU 151 N -4.49 2.95 0.00 1.51 4.71 0.19 -0.56 120.64 124.96 1c2y n GLU 151 Ca 0.02 -4.57 0.00 0.00 -0.01 0.00 0.00 57.16 52.59 1c2y n GLU 151 Cb 0.24 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.30 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 1.52 0.00 -0.11 -0.32 -0.00 -1.18 -4.89 115.22 110.23 1c2y n HIS 152 Ca 0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.79 1c2y n HIS 152 Cb 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.30 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 0.15 0.00 1.57 1.44 -0.04 -4.92 115.22 113.42 1c2y n HIS 153 Ca 0.00 0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1c2y n HIS 153 Cb 0.00 -0.79 0.00 0.00 0.12 0.00 0.00 29.99 29.32 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 -4.38 0.00 -0.56 2.39 7.94 0.28 -5.05 117.00 117.62 1c2y n LEU 154 Ca -0.33 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.64 1c2y n LEU 154 Cb 0.68 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.68 1c2y n LEU 154 CO 0.12 0.00 0.47 2.29 -1.11 0.00 0.00 177.39 179.16