#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyf n GLN 2 N 0.00 0.32 -3.65 1.64 -0.06 -1.26 -4.91 117.38 109.46 2pyf n GLN 2 Ca 0.00 0.11 -0.05 0.00 -2.00 0.00 0.00 57.00 55.06 2pyf n GLN 2 Cb 0.00 -1.22 -0.07 0.00 -4.06 0.00 0.00 30.24 24.88 2pyf n GLN 2 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2pyf s GLU 3 N -1.07 0.43 -0.13 3.69 -1.05 -1.26 -5.01 118.70 114.31 2pyf s GLU 3 Ca 0.64 1.22 -0.01 0.00 -0.15 0.00 0.00 54.97 56.67 2pyf s GLU 3 Cb -0.89 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 33.34 2pyf s GLU 3 CO 0.57 -0.23 -0.10 0.54 0.95 0.00 0.00 175.26 176.99 2pyf s VAL 4 N 2.72 3.34 -0.04 1.83 0.11 -1.26 -2.60 120.40 124.49 2pyf s VAL 4 Ca -0.04 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.50 2pyf s VAL 4 Cb -0.12 -2.41 -0.01 0.00 -1.53 0.00 0.00 36.38 32.31 2pyf s VAL 4 CO -0.15 0.52 -0.19 0.42 -3.33 0.00 0.00 175.10 172.37 2pyf s THR 5 N 0.22 1.55 -0.07 5.04 -4.23 -0.52 -4.29 115.64 113.34 2pyf s THR 5 Ca -0.06 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 2pyf s THR 5 Cb -0.15 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 2pyf s THR 5 CO 0.04 0.44 -0.17 -1.10 -0.54 0.00 0.00 174.62 173.29 2pyf s GLN 6 N -0.09 2.77 0.01 3.99 -0.21 -1.26 -1.54 119.66 123.33 2pyf s GLN 6 Ca -0.02 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.62 2pyf s GLN 6 Cb -0.11 -2.39 -0.01 0.00 1.00 0.00 0.00 33.01 31.51 2pyf s GLN 6 CO 0.02 0.43 -0.04 0.96 -2.12 0.00 0.00 175.29 174.54 2pyf s ILE 7 N -0.25 0.29 0.80 1.08 -4.36 -1.00 -4.25 121.20 113.51 2pyf s ILE 7 Ca 0.01 -0.34 -0.12 0.00 -0.26 0.00 0.00 60.65 59.94 2pyf s ILE 7 Cb -0.13 -0.29 0.07 0.00 1.25 0.00 0.00 42.46 43.36 2pyf s ILE 7 CO 0.03 -0.04 1.13 -2.84 0.24 0.00 0.00 174.94 173.46 2pyf s PRO 8 N -0.40 2.07 0.21 0.37 0.02 -1.26 -2.19 135.00 133.81 2pyf s PRO 8 Ca -0.02 0.39 0.06 0.00 0.02 0.00 0.00 61.00 61.45 2pyf s PRO 8 Cb -0.03 -1.94 0.13 0.00 0.02 0.00 0.00 34.50 32.68 2pyf s PRO 8 CO -0.00 -1.58 1.47 0.00 -0.33 0.00 0.00 177.00 176.56 2pyf h ALA 9 N -1.05 0.71 -3.22 -1.55 0.00 -1.81 -3.39 119.26 108.94 2pyf h ALA 9 Ca -0.47 -0.66 -0.23 0.00 0.00 0.00 0.00 54.91 53.55 2pyf h ALA 9 Cb 1.29 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 2pyf h ALA 9 CO 0.63 0.87 -0.57 0.00 0.00 0.00 0.00 179.25 180.19 2pyf s ALA 10 N -3.38 -0.34 -0.06 0.00 0.00 -1.26 -0.10 121.76 116.61 2pyf s ALA 10 Ca -0.02 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2pyf s ALA 10 Cb 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2pyf s ALA 10 CO 0.80 -0.15 -0.11 -1.17 0.00 0.00 0.00 175.76 175.13 2pyf s LEU 11 N 1.04 1.59 -0.15 0.00 2.96 0.66 -4.91 118.68 119.87 2pyf s LEU 11 Ca -0.08 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2pyf s LEU 11 Cb -0.10 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.83 2pyf s LEU 11 CO -0.06 0.02 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.23 2pyf s SER 12 N 0.71 3.19 -0.00 3.68 0.15 -1.26 -1.21 113.70 118.96 2pyf s SER 12 Ca -0.14 -0.59 -0.08 0.00 0.70 0.00 0.00 55.95 55.84 2pyf s SER 12 Cb -0.16 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2pyf s SER 12 CO 0.03 0.07 0.16 0.54 1.20 0.00 0.00 173.24 175.24 2pyf s VAL 13 N 0.88 0.08 0.23 4.45 0.11 -0.40 -5.00 120.40 120.74 2pyf s VAL 13 Ca -0.05 -0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 2pyf s VAL 13 Cb -0.15 -0.45 -0.09 0.00 -1.53 0.00 0.00 36.38 34.16 2pyf s VAL 13 CO -0.03 -0.36 1.01 -2.84 -3.33 0.00 0.00 175.10 169.55 2pyf s PRO 14 N -1.35 4.74 0.71 1.54 0.02 -1.26 -0.38 135.00 139.03 2pyf s PRO 14 Ca -0.14 1.60 -0.16 0.00 0.02 0.00 0.00 61.00 62.32 2pyf s PRO 14 Cb -0.07 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 31.20 2pyf s PRO 14 CO 0.02 0.33 1.11 -0.85 -0.33 0.00 0.00 177.00 177.28 2pyf n GLU 15 N 1.70 0.63 0.00 5.54 0.28 -0.47 -3.10 120.64 125.22 2pyf n GLU 15 Ca -0.01 0.27 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2pyf n GLU 15 Cb 0.47 -2.35 0.00 0.00 1.43 0.00 0.00 31.44 30.98 2pyf n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pyf n GLY 16 N 0.94 2.86 3.81 -1.84 0.00 -0.39 -4.93 105.19 105.64 2pyf n GLY 16 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2pyf n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyf s GLU 17 N -0.04 4.25 0.45 1.61 2.02 -1.18 -4.30 118.70 121.51 2pyf s GLU 17 Ca 0.00 1.20 -0.18 0.00 0.02 0.00 0.00 54.97 56.01 2pyf s GLU 17 Cb 0.00 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 31.84 2pyf s GLU 17 CO 0.00 -0.02 0.93 -0.80 0.02 0.00 0.00 175.26 175.39 2pyf s ASN 18 N -2.03 6.78 0.13 -0.19 0.01 -1.26 -1.55 114.94 116.82 2pyf s ASN 18 Ca 0.60 1.57 0.10 0.00 -0.71 0.00 0.00 52.86 54.42 2pyf s ASN 18 Cb -0.12 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 2pyf s ASN 18 CO 0.16 -0.44 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.32 2pyf s LEU 19 N -3.55 2.33 -0.10 0.60 1.43 0.77 -4.95 118.68 115.21 2pyf s LEU 19 Ca 0.59 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2pyf s LEU 19 Cb -0.10 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.09 2pyf s LEU 19 CO 0.22 0.12 -0.07 -0.69 0.23 0.00 0.00 176.35 176.16 2pyf s VAL 20 N -1.21 0.90 -0.08 -1.59 1.01 -1.26 -1.44 120.40 116.74 2pyf s VAL 20 Ca 0.12 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2pyf s VAL 20 Cb -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2pyf s VAL 20 CO 0.06 0.34 -0.18 -0.76 0.00 0.00 0.00 175.10 174.55 2pyf s LEU 21 N 1.59 2.46 -0.00 3.92 1.43 -0.05 -4.83 118.68 123.20 2pyf s LEU 21 Ca 0.02 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2pyf s LEU 21 Cb -0.13 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2pyf s LEU 21 CO -0.06 0.26 -0.09 0.20 0.23 0.00 0.00 176.35 176.88 2pyf s ASN 22 N -0.20 4.44 -0.15 2.29 0.02 -0.93 0.18 114.94 120.59 2pyf s ASN 22 Ca -0.01 -0.18 -0.04 0.00 -1.02 0.00 0.00 52.86 51.61 2pyf s ASN 22 Cb -0.13 -0.99 0.05 0.00 0.02 0.00 0.00 41.25 40.20 2pyf s ASN 22 CO 0.03 0.29 0.08 0.00 0.02 0.00 0.00 177.10 177.53 2pyf s SER 24 N 2.12 5.31 -0.00 0.00 1.04 -0.59 0.05 113.70 121.63 2pyf s SER 24 Ca 0.02 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2pyf s SER 24 Cb -0.15 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.59 2pyf s SER 24 CO -0.08 0.20 0.00 0.72 0.98 0.00 0.00 173.24 175.06 2pyf s PHE 25 N -1.30 0.03 0.25 5.02 -0.12 0.11 -1.44 117.98 120.53 2pyf s PHE 25 Ca 0.26 0.01 -0.04 0.00 -0.05 0.00 0.00 56.93 57.12 2pyf s PHE 25 Cb -0.12 -0.05 0.29 0.00 -0.63 0.00 0.00 43.02 42.50 2pyf s PHE 25 CO 0.18 -0.01 1.77 0.00 -0.05 0.00 0.00 175.22 177.11 2pyf h THR 26 N 5.31 1.24 -3.72 -4.49 1.03 -1.75 -3.42 112.91 107.11 2pyf h THR 26 Ca -0.27 -0.92 -0.66 0.00 -0.01 0.00 0.00 66.41 64.54 2pyf h THR 26 Cb 1.20 0.68 -0.20 0.00 -1.07 0.00 0.00 68.15 68.75 2pyf h THR 26 CO 0.51 0.34 -0.54 -0.62 -0.01 0.00 0.00 175.52 175.20 2pyf s ASP 27 N -6.56 5.71 0.33 0.00 2.15 -1.26 -4.95 116.67 112.09 2pyf s ASP 27 Ca -0.10 -0.33 0.26 0.00 0.43 0.00 0.00 52.55 52.81 2pyf s ASP 27 Cb 0.15 -2.05 0.98 0.00 -0.30 0.00 0.00 42.92 41.70 2pyf s ASP 27 CO 0.82 -0.14 1.78 0.77 -0.17 0.00 0.00 175.17 178.22 2pyf h SER 28 N 8.37 0.00 -0.83 -0.34 4.64 -1.80 -3.39 113.55 120.20 2pyf h SER 28 Ca -0.34 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.30 2pyf h SER 28 Cb 1.16 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.17 2pyf h SER 28 CO 0.60 0.00 2.28 0.00 -0.87 0.00 0.00 176.83 178.84 2pyf n ALA 29 N -1.88 3.86 -2.47 5.18 0.00 -1.26 -4.87 120.51 119.07 2pyf n ALA 29 Ca 0.03 -3.88 -0.26 0.00 0.00 0.00 0.00 53.44 49.32 2pyf n ALA 29 Cb 0.31 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.07 2pyf n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2pyf s ILE 30 N 3.89 1.79 0.00 0.00 -0.00 -1.26 -3.08 121.20 122.54 2pyf s ILE 30 Ca 0.52 -1.37 -0.21 0.00 -0.00 0.00 0.00 60.65 59.59 2pyf s ILE 30 Cb 0.05 -1.58 -0.21 0.00 -0.00 0.00 0.00 42.46 40.72 2pyf s ILE 30 CO 0.05 0.14 1.13 0.22 -0.00 0.00 0.00 174.94 176.48 2pyf h TYR 31 N 4.54 0.53 -2.91 1.37 3.20 0.14 -3.41 116.97 120.42 2pyf h TYR 31 Ca -0.45 -0.26 0.01 0.00 3.14 0.00 0.00 58.73 61.17 2pyf h TYR 31 Cb 1.16 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.25 2pyf h TYR 31 CO 0.54 1.05 0.25 0.54 -1.64 0.00 0.00 178.16 178.90 2pyf s ASN 32 N -6.57 -0.51 -0.03 -2.11 6.03 -1.25 -0.73 114.94 109.76 2pyf s ASN 32 Ca -0.14 -0.06 0.06 0.00 -1.03 0.00 0.00 52.86 51.70 2pyf s ASN 32 Cb 0.03 0.59 -0.02 0.00 -3.03 0.00 0.00 41.25 38.82 2pyf s ASN 32 CO 0.80 -0.96 -0.22 -0.22 -2.03 0.00 0.00 177.10 174.46 2pyf s LEU 33 N -2.74 2.27 -0.02 3.54 1.98 -0.24 -1.75 118.68 121.74 2pyf s LEU 33 Ca 0.02 -0.38 0.01 0.00 -2.89 0.00 0.00 54.13 50.89 2pyf s LEU 33 Cb -0.01 -1.41 0.01 0.00 0.66 0.00 0.00 46.19 45.43 2pyf s LEU 33 CO -0.11 0.32 -0.04 -1.58 -1.89 0.00 0.00 176.35 173.05 2pyf s GLN 34 N -0.61 0.52 -0.10 1.98 0.74 0.26 -0.15 119.66 122.30 2pyf s GLN 34 Ca 0.09 -0.13 -0.03 0.00 0.05 0.00 0.00 55.36 55.34 2pyf s GLN 34 Cb -0.10 -0.54 -0.03 0.00 1.10 0.00 0.00 33.01 33.43 2pyf s GLN 34 CO -0.00 0.03 0.02 -1.58 -0.55 0.00 0.00 175.29 173.21 2pyf s TRP 35 N 0.31 3.22 0.23 1.67 0.52 0.13 -0.64 118.94 124.39 2pyf s TRP 35 Ca -0.03 0.20 0.07 0.00 0.02 0.00 0.00 56.10 56.36 2pyf s TRP 35 Cb -0.07 -1.85 -0.05 0.00 -1.15 0.00 0.00 33.47 30.35 2pyf s TRP 35 CO -0.00 0.45 -0.12 -0.06 0.02 0.00 0.00 176.95 177.24 2pyf s PHE 36 N -0.72 1.82 -0.05 -1.98 0.40 0.39 -0.41 117.98 117.43 2pyf s PHE 36 Ca 0.12 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 2pyf s PHE 36 Cb -0.12 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.51 2pyf s PHE 36 CO 0.02 0.34 -0.12 0.50 0.70 0.00 0.00 175.22 176.66 2pyf s ARG 37 N -3.67 1.59 -0.09 0.44 3.52 0.85 -2.08 118.95 119.51 2pyf s ARG 37 Ca 0.25 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.43 2pyf s ARG 37 Cb 0.01 -1.34 0.02 0.00 -1.56 0.00 0.00 34.95 32.07 2pyf s ARG 37 CO 0.09 0.08 -0.09 -1.14 -0.81 0.00 0.00 175.30 173.43 2pyf s GLN 38 N 0.49 1.54 -0.06 5.12 0.74 -0.50 0.76 119.66 127.75 2pyf s GLN 38 Ca -0.11 -0.30 -0.05 0.00 0.05 0.00 0.00 55.36 54.95 2pyf s GLN 38 Cb -0.14 -1.48 -0.04 0.00 1.10 0.00 0.00 33.01 32.45 2pyf s GLN 38 CO 0.03 -0.16 0.17 -0.51 -0.55 0.00 0.00 175.29 174.27 2pyf s ASP 39 N 1.32 6.39 0.13 6.67 -0.00 -1.25 -2.03 116.67 127.88 2pyf s ASP 39 Ca -0.02 0.42 -0.35 0.00 -0.00 0.00 0.00 52.55 52.60 2pyf s ASP 39 Cb -0.14 -2.04 -0.16 0.00 -0.00 0.00 0.00 42.92 40.58 2pyf s ASP 39 CO -0.04 0.33 1.35 -2.65 -0.00 0.00 0.00 175.17 174.16 2pyf n PRO 40 N 1.46 1.37 -1.00 8.23 -0.02 -1.26 -0.79 135.00 142.99 2pyf n PRO 40 Ca -0.15 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2pyf n PRO 40 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2pyf n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyf n GLY 41 N 2.54 0.89 3.64 -1.23 0.00 -1.26 -5.01 105.19 104.75 2pyf n GLY 41 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2pyf n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyf s LYS 42 N -0.00 2.04 0.00 1.61 -0.14 0.03 -5.17 119.74 118.11 2pyf s LYS 42 Ca 0.00 -2.27 0.00 0.00 -1.36 0.00 0.00 55.97 52.34 2pyf s LYS 42 Cb 0.00 -1.15 0.00 0.00 -1.68 0.00 0.00 37.83 35.00 2pyf s LYS 42 CO 0.00 -0.37 0.00 0.41 -0.76 0.00 0.00 175.35 174.63 2pyf n GLY 43 N -1.07 0.64 3.60 -3.33 0.00 -1.26 -4.57 105.19 99.20 2pyf n GLY 43 Ca -0.12 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 2pyf n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyf s LEU 44 N 0.00 3.79 -0.20 0.99 1.02 -1.26 -3.96 118.68 119.06 2pyf s LEU 44 Ca 0.00 0.03 -0.08 0.00 0.02 0.00 0.00 54.13 54.10 2pyf s LEU 44 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 2pyf s LEU 44 CO 0.00 0.11 0.08 -0.89 0.02 0.00 0.00 176.35 175.67 2pyf s THR 45 N 0.75 4.82 0.15 5.49 2.01 0.23 -4.86 115.64 124.23 2pyf s THR 45 Ca 0.04 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.72 2pyf s THR 45 Cb -0.13 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.11 2pyf s THR 45 CO 0.02 0.43 1.33 -0.55 -0.69 0.00 0.00 174.62 175.17 2pyf s SER 46 N 0.57 6.88 -0.13 3.53 0.15 -1.26 -0.11 113.70 123.34 2pyf s SER 46 Ca 0.04 2.33 -0.14 0.00 0.70 0.00 0.00 55.95 58.88 2pyf s SER 46 Cb -0.13 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.53 2pyf s SER 46 CO 0.01 -0.57 -0.28 0.18 1.20 0.00 0.00 173.24 173.78 2pyf n LEU 47 N 3.30 1.75 -3.85 3.45 4.77 0.46 -4.91 117.00 121.97 2pyf n LEU 47 Ca 0.09 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2pyf n LEU 47 Cb 0.43 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 2pyf n LEU 47 CO 0.58 -0.31 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.45 2pyf s LEU 48 N -7.68 1.42 -0.08 2.23 1.43 -1.19 -4.97 118.68 109.83 2pyf s LEU 48 Ca -0.24 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2pyf s LEU 48 Cb 0.04 0.85 0.02 0.00 0.03 0.00 0.00 46.19 47.13 2pyf s LEU 48 CO 0.34 -0.46 -0.05 -0.22 0.23 0.00 0.00 176.35 176.19 2pyf s LEU 49 N -1.70 1.12 -0.17 1.79 0.20 -1.26 -0.69 118.68 117.97 2pyf s LEU 49 Ca -0.10 -0.20 -0.02 0.00 0.69 0.00 0.00 54.13 54.50 2pyf s LEU 49 Cb -0.04 -0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 45.06 2pyf s LEU 49 CO -0.01 -0.10 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.24 2pyf s ILE 50 N 1.44 3.28 0.67 6.68 1.01 0.79 -4.96 121.20 130.11 2pyf s ILE 50 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.95 2pyf s ILE 50 Cb -0.13 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.91 2pyf s ILE 50 CO -0.04 0.49 1.07 -1.10 0.00 0.00 0.00 174.94 175.36 2pyf s GLN 51 N 0.74 2.95 0.12 2.79 -1.52 -1.26 -1.07 119.66 122.41 2pyf s GLN 51 Ca -0.04 1.09 -0.27 0.00 -1.95 0.00 0.00 55.36 54.19 2pyf s GLN 51 Cb -0.15 -1.99 -0.06 0.00 -0.22 0.00 0.00 33.01 30.59 2pyf s GLN 51 CO 0.02 -1.09 1.62 1.03 -0.25 0.00 0.00 175.29 176.61 2pyf h SER 52 N -0.36 -0.92 -2.24 5.90 0.87 -1.16 -3.18 113.55 112.46 2pyf h SER 52 Ca -0.45 0.12 -0.79 0.00 -1.23 0.00 0.00 61.79 59.44 2pyf h SER 52 Cb 1.22 0.37 -0.23 0.00 -0.44 0.00 0.00 62.40 63.31 2pyf h SER 52 CO 0.56 -0.38 1.29 -1.20 -0.53 0.00 0.00 176.83 176.57 2pyf n SER 53 N -5.41 6.65 0.00 6.23 7.64 -1.26 -4.35 113.62 123.12 2pyf n SER 53 Ca -0.05 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.43 2pyf n SER 53 Cb 0.32 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2pyf n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pyf n GLN 54 N 1.46 0.05 0.00 1.43 1.13 -1.20 -5.08 117.38 115.16 2pyf n GLN 54 Ca 0.39 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 2pyf n GLN 54 Cb 0.31 -0.52 0.00 0.00 0.11 0.00 0.00 30.24 30.14 2pyf n GLN 54 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2pyf n ARG 55 N -1.18 0.00 -4.42 -1.09 0.63 -1.26 -4.88 116.66 104.46 2pyf n ARG 55 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 2pyf n ARG 55 Cb 0.02 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.82 2pyf n ARG 55 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2pyf s GLU 56 N 0.00 1.73 -0.30 -0.14 2.56 -1.26 -1.22 118.70 120.07 2pyf s GLU 56 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 54.97 53.26 2pyf s GLU 56 Cb 0.00 -1.88 0.12 0.00 2.00 0.00 0.00 34.13 34.38 2pyf s GLU 56 CO 0.00 0.37 0.65 -1.14 -0.56 0.00 0.00 175.26 174.58 2pyf s GLN 57 N -3.18 0.60 0.23 4.30 2.00 -0.57 -4.98 119.66 118.06 2pyf s GLN 57 Ca 0.27 1.42 0.08 0.00 -2.00 0.00 0.00 55.36 55.13 2pyf s GLN 57 Cb -0.07 0.77 -0.04 0.00 0.80 0.00 0.00 33.01 34.47 2pyf s GLN 57 CO 0.14 -0.19 0.02 0.99 -0.50 0.00 0.00 175.29 175.75 2pyf s THR 58 N 2.71 3.66 -0.48 -0.34 2.01 -1.26 -0.71 115.64 121.23 2pyf s THR 58 Ca -0.07 -1.69 0.06 0.00 0.31 0.00 0.00 61.69 60.31 2pyf s THR 58 Cb -0.11 -2.92 0.26 0.00 0.01 0.00 0.00 72.50 69.73 2pyf s THR 58 CO -0.19 -0.28 0.94 -0.24 -0.69 0.00 0.00 174.62 174.16 2pyf n SER 59 N -0.67 -2.77 0.00 3.53 2.88 0.11 -4.98 113.62 111.72 2pyf n SER 59 Ca -0.08 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.10 2pyf n SER 59 Cb 0.58 1.84 0.00 0.00 -0.75 0.00 0.00 64.21 65.87 2pyf n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pyf n GLY 60 N 1.39 1.74 0.05 0.46 0.00 -1.26 -2.73 105.19 104.84 2pyf n GLY 60 Ca 0.08 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.94 2pyf n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyf n ARG 61 N 1.40 0.20 -3.11 1.61 1.74 -1.26 -4.80 116.66 112.44 2pyf n ARG 61 Ca 0.00 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 2pyf n ARG 61 Cb 0.00 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 2pyf n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pyf s LEU 62 N -3.86 4.07 -0.09 0.55 1.43 -1.10 -1.77 118.68 117.91 2pyf s LEU 62 Ca 0.08 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 2pyf s LEU 62 Cb 0.15 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.53 2pyf s LEU 62 CO 0.69 -0.39 -0.12 0.20 0.23 0.00 0.00 176.35 176.96 2pyf s ASN 63 N 1.50 2.05 -0.06 2.29 0.01 -0.25 0.07 114.94 120.55 2pyf s ASN 63 Ca 0.26 -0.34 0.05 0.00 -0.71 0.00 0.00 52.86 52.12 2pyf s ASN 63 Cb -0.15 -0.91 -0.00 0.00 0.41 0.00 0.00 41.25 40.59 2pyf s ASN 63 CO 0.09 -0.00 -0.22 0.00 -1.51 0.00 0.00 177.10 175.46 2pyf s ALA 64 N 0.96 1.94 0.31 0.60 0.00 0.11 0.13 121.76 125.80 2pyf s ALA 64 Ca -0.08 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.08 2pyf s ALA 64 Cb -0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2pyf s ALA 64 CO -0.00 0.33 -0.07 -1.12 0.00 0.00 0.00 175.76 174.91 2pyf s SER 65 N 0.06 4.04 -0.17 0.00 0.01 -0.76 -1.52 113.70 115.36 2pyf s SER 65 Ca -0.08 -0.95 -0.07 0.00 1.31 0.00 0.00 55.95 56.17 2pyf s SER 65 Cb -0.14 -0.51 0.07 0.00 0.21 0.00 0.00 66.02 65.65 2pyf s SER 65 CO 0.04 -0.10 0.37 -0.22 0.41 0.00 0.00 173.24 173.74 2pyf s LEU 66 N -3.63 -0.33 -0.52 2.44 0.20 -0.36 -2.25 118.68 114.22 2pyf s LEU 66 Ca 0.32 0.83 -0.05 0.00 0.69 0.00 0.00 54.13 55.93 2pyf s LEU 66 Cb -0.03 1.15 0.14 0.00 -0.43 0.00 0.00 46.19 47.02 2pyf s LEU 66 CO 0.18 -0.22 0.34 -1.81 -0.29 0.00 0.00 176.35 174.55 2pyf s ASP 67 N 2.14 5.41 0.18 3.68 1.11 -0.48 -4.60 116.67 124.11 2pyf s ASP 67 Ca -0.04 -2.34 -0.12 0.00 0.18 0.00 0.00 52.55 50.23 2pyf s ASP 67 Cb -0.11 -1.89 0.09 0.00 1.07 0.00 0.00 42.92 42.08 2pyf s ASP 67 CO -0.11 -0.51 1.79 0.07 1.18 0.00 0.00 175.17 177.59 2pyf h LYS 68 N 7.75 0.84 -0.15 8.23 2.10 -1.90 -1.07 116.57 132.37 2pyf h LYS 68 Ca -0.09 -0.10 0.04 0.00 -2.00 0.00 0.00 60.65 58.50 2pyf h LYS 68 Cb 1.02 -0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 32.14 2pyf h LYS 68 CO 0.74 0.64 -0.12 0.66 -2.00 0.00 0.00 179.45 179.37 2pyf h SER 69 N 0.82 -0.38 0.50 7.07 4.64 -1.93 -2.36 113.55 121.92 2pyf h SER 69 Ca 0.21 0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 2pyf h SER 69 Cb 0.04 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2pyf h SER 69 CO -0.03 -0.16 -0.55 0.77 -0.87 0.00 0.00 176.83 175.99 2pyf h SER 70 N -0.13 0.06 -0.99 4.97 4.64 -1.97 -3.47 113.55 116.66 2pyf h SER 70 Ca 0.09 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2pyf h SER 70 Cb 0.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2pyf h SER 70 CO -0.23 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 2pyf n GLY 71 N 0.07 0.68 3.44 -0.77 0.00 -0.43 -4.93 105.19 103.25 2pyf n GLY 71 Ca -0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 2pyf n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pyf s SER 72 N -2.42 -0.53 0.19 1.61 1.04 -1.05 0.05 113.70 112.59 2pyf s SER 72 Ca 0.00 0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.99 2pyf s SER 72 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2pyf s SER 72 CO 0.00 -0.60 -0.13 -0.94 0.98 0.00 0.00 173.24 172.55 2pyf s SER 73 N -1.37 2.35 -0.03 7.02 1.04 0.11 -1.38 113.70 121.44 2pyf s SER 73 Ca -0.10 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.33 2pyf s SER 73 Cb -0.01 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.03 2pyf s SER 73 CO 0.07 -0.21 -0.02 -0.89 0.98 0.00 0.00 173.24 173.16 2pyf s THR 74 N -3.02 0.33 -0.27 2.02 2.01 -0.96 -0.98 115.64 114.77 2pyf s THR 74 Ca 0.20 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 2pyf s THR 74 Cb -0.00 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 2pyf s THR 74 CO 0.05 0.17 0.19 -0.22 -0.69 0.00 0.00 174.62 174.12 2pyf s LEU 75 N 0.83 4.05 -0.23 4.42 2.96 0.13 -1.83 118.68 129.01 2pyf s LEU 75 Ca -0.09 0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 2pyf s LEU 75 Cb -0.13 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2pyf s LEU 75 CO -0.01 -0.03 0.06 -0.31 -1.32 0.00 0.00 176.35 174.75 2pyf s TYR 76 N 1.59 3.11 -0.33 5.38 1.51 0.12 -0.87 117.35 127.86 2pyf s TYR 76 Ca 0.08 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 2pyf s TYR 76 Cb -0.15 -2.19 0.06 0.00 -0.11 0.00 0.00 41.96 39.57 2pyf s TYR 76 CO 0.09 -0.24 0.06 0.42 -1.11 0.00 0.00 175.55 174.78 2pyf s ILE 77 N 1.28 3.27 0.41 2.71 1.01 -0.52 -1.09 121.20 128.27 2pyf s ILE 77 Ca 0.05 -1.41 -0.22 0.00 0.00 0.00 0.00 60.65 59.07 2pyf s ILE 77 Cb -0.15 -2.92 -0.10 0.00 0.01 0.00 0.00 42.46 39.30 2pyf s ILE 77 CO 0.03 -0.21 0.97 0.00 0.00 0.00 0.00 174.94 175.73 2pyf s ALA 78 N 1.28 3.06 -0.53 9.38 0.00 -0.73 -0.16 121.76 134.05 2pyf s ALA 78 Ca -0.02 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 2pyf s ALA 78 Cb -0.20 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2pyf s ALA 78 CO -0.00 0.03 0.40 0.00 0.00 0.00 0.00 175.76 176.19 2pyf n ALA 79 N -0.36 -2.18 -0.68 0.00 0.00 -1.26 -4.86 120.51 111.17 2pyf n ALA 79 Ca 0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 2pyf n ALA 79 Cb 0.52 -0.53 0.18 0.00 0.00 0.00 0.00 19.45 19.62 2pyf n ALA 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pyf s SER 80 N -2.52 2.63 0.07 0.00 1.04 -0.60 -4.61 113.70 109.72 2pyf s SER 80 Ca 0.02 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.44 2pyf s SER 80 Cb -0.00 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.59 2pyf s SER 80 CO 0.60 -3.27 0.24 -1.10 0.98 0.00 0.00 173.24 170.68 2pyf s GLN 81 N -4.62 0.82 0.61 4.02 -0.21 -1.26 -1.27 119.66 117.75 2pyf s GLN 81 Ca 0.67 -0.77 0.26 0.00 0.02 0.00 0.00 55.36 55.55 2pyf s GLN 81 Cb -0.23 0.34 1.25 0.00 1.00 0.00 0.00 33.01 35.38 2pyf s GLN 81 CO 0.59 -0.27 1.68 -1.35 -2.12 0.00 0.00 175.29 173.82 2pyf h PRO 82 N 2.97 0.00 0.00 2.91 0.11 -1.84 0.21 132.00 136.36 2pyf h PRO 82 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2pyf h PRO 82 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pyf h PRO 82 CO 0.51 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.08 2pyf h GLY 83 N 0.00 0.00 1.12 -0.55 0.00 -1.96 -2.65 103.07 99.03 2pyf h GLY 83 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2pyf h GLY 83 CO -0.00 0.00 -0.12 1.22 0.00 0.00 0.00 176.54 177.64 2pyf n ASP 84 N -2.44 0.36 -4.65 0.19 8.00 0.75 -4.87 116.55 113.89 2pyf n ASP 84 Ca 0.02 -0.37 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 2pyf n ASP 84 Cb 0.23 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2pyf n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2pyf s SER 85 N -2.59 6.44 0.00 -2.24 0.01 -1.00 -4.84 113.70 109.48 2pyf s SER 85 Ca 0.25 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.86 2pyf s SER 85 Cb 0.20 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2pyf s SER 85 CO 0.50 -1.10 0.00 0.00 0.41 0.00 0.00 173.24 173.05 2pyf n ALA 86 N 7.82 0.00 -2.72 1.44 0.00 -0.91 -4.96 120.51 121.18 2pyf n ALA 86 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 2pyf n ALA 86 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 2pyf n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pyf s THR 87 N -2.00 5.32 -0.17 0.00 2.01 -0.86 -0.41 115.64 119.52 2pyf s THR 87 Ca 0.00 0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 2pyf s THR 87 Cb 0.00 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 2pyf s THR 87 CO 0.00 0.47 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.02 2pyf s TYR 88 N -0.05 2.94 -0.03 4.92 1.51 0.84 -1.40 117.35 126.07 2pyf s TYR 88 Ca 0.16 -0.60 0.06 0.00 -1.01 0.00 0.00 57.07 55.68 2pyf s TYR 88 Cb -0.13 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2pyf s TYR 88 CO 0.04 -0.26 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.50 2pyf s LEU 89 N 0.74 2.03 0.12 -1.29 1.43 -0.88 -0.47 118.68 120.36 2pyf s LEU 89 Ca -0.03 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 2pyf s LEU 89 Cb -0.15 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2pyf s LEU 89 CO 0.02 0.25 -0.16 0.00 0.23 0.00 0.00 176.35 176.69 2pyf s ALA 91 N -1.23 0.02 0.12 0.00 0.00 0.19 -2.44 121.76 118.42 2pyf s ALA 91 Ca 0.19 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 51.95 2pyf s ALA 91 Cb -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2pyf s ALA 91 CO 0.11 -0.10 -0.22 0.14 0.00 0.00 0.00 175.76 175.68 2pyf s VAL 92 N -0.86 1.91 -0.02 0.00 -7.23 -0.89 -0.57 120.40 112.74 2pyf s VAL 92 Ca -0.09 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.47 2pyf s VAL 92 Cb -0.06 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 2pyf s VAL 92 CO -0.00 -0.06 -0.26 -0.13 -0.31 0.00 0.00 175.10 174.34 2pyf s ARG 93 N -2.11 2.08 0.19 4.82 0.52 -0.71 -1.29 118.95 122.44 2pyf s ARG 93 Ca 0.11 -0.94 -0.32 0.00 -0.52 0.00 0.00 55.73 54.06 2pyf s ARG 93 Cb -0.09 -2.03 -0.11 0.00 0.52 0.00 0.00 34.95 33.24 2pyf s ARG 93 CO 0.05 0.55 1.62 -2.14 0.02 0.00 0.00 175.30 175.41 2pyf s PRO 94 N -0.65 4.18 0.36 3.54 0.02 -1.26 0.74 135.00 141.93 2pyf s PRO 94 Ca 0.10 2.46 0.20 0.00 0.02 0.00 0.00 61.00 63.77 2pyf s PRO 94 Cb -0.10 -3.12 0.36 0.00 0.02 0.00 0.00 34.50 31.67 2pyf s PRO 94 CO -0.01 -0.66 1.59 1.25 -0.33 0.00 0.00 177.00 178.84 2pyf h LEU 95 N 6.68 0.00 -0.43 -5.54 5.85 -1.78 -3.38 115.31 116.71 2pyf h LEU 95 Ca -0.43 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.33 2pyf h LEU 95 Cb 1.20 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2pyf h LEU 95 CO 0.92 0.30 -0.25 -0.11 -0.34 0.00 0.00 178.44 178.96 2pyf n LEU 96 N -3.23 -0.46 0.00 2.25 7.94 -1.26 -4.87 117.00 117.38 2pyf n LEU 96 Ca 0.02 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 2pyf n LEU 96 Cb 0.60 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2pyf n LEU 96 CO 0.37 -0.79 0.00 0.47 -1.11 0.00 0.00 177.39 176.33 2pyf n ASP 97 N -4.00 0.00 0.00 1.96 10.43 -1.26 -4.93 116.55 118.75 2pyf n ASP 97 Ca 0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.37 2pyf n ASP 97 Cb 0.11 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.07 2pyf n ASP 97 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pyf n GLY 98 N 1.88 1.57 3.00 0.44 0.00 -1.26 -4.94 105.19 105.88 2pyf n GLY 98 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2pyf n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pyf s THR 99 N -3.09 -0.32 -0.04 2.61 2.01 -1.26 -5.04 115.64 110.51 2pyf s THR 99 Ca 0.00 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.32 2pyf s THR 99 Cb 0.00 -0.41 0.08 0.00 0.01 0.00 0.00 72.50 72.18 2pyf s THR 99 CO 0.00 0.11 0.94 -1.22 -0.69 0.00 0.00 174.62 173.76 2pyf n TYR 100 N 5.13 0.00 -2.15 4.92 4.02 -1.26 -4.64 117.16 123.17 2pyf n TYR 100 Ca -0.10 -0.47 -0.43 0.00 -0.01 0.00 0.00 57.90 56.90 2pyf n TYR 100 Cb 0.50 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 2pyf n TYR 100 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2pyf s ILE 101 N -1.18 3.73 0.72 -0.72 1.01 -1.26 -4.80 121.20 118.70 2pyf s ILE 101 Ca 0.09 0.81 -0.10 0.00 0.00 0.00 0.00 60.65 61.45 2pyf s ILE 101 Cb 0.08 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.81 2pyf s ILE 101 CO 0.01 -0.35 1.07 -2.16 0.00 0.00 0.00 174.94 173.51 2pyf s PRO 102 N 4.74 2.49 -0.10 2.79 0.04 -1.26 -4.39 135.00 139.31 2pyf s PRO 102 Ca 0.70 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.91 2pyf s PRO 102 Cb -0.23 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.26 2pyf s PRO 102 CO 0.29 -1.18 -0.13 0.99 0.04 0.00 0.00 177.00 177.02 2pyf s THR 103 N -3.34 1.29 0.10 1.26 2.01 -0.41 -4.95 115.64 111.60 2pyf s THR 103 Ca 0.59 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2pyf s THR 103 Cb -0.11 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2pyf s THR 103 CO 0.49 0.40 0.29 -0.36 -0.69 0.00 0.00 174.62 174.74 2pyf s PHE 104 N 1.08 3.50 0.72 4.92 0.08 -1.26 -2.10 117.98 124.92 2pyf s PHE 104 Ca -0.06 0.39 -0.01 0.00 0.12 0.00 0.00 56.93 57.37 2pyf s PHE 104 Cb -0.15 -1.87 0.12 0.00 -0.57 0.00 0.00 43.02 40.56 2pyf s PHE 104 CO -0.02 0.52 0.99 0.20 -0.10 0.00 0.00 175.22 176.81 2pyf s GLY 105 N -2.48 1.76 0.23 4.36 0.00 -1.02 -4.65 107.32 105.51 2pyf s GLY 105 Ca 0.38 -1.68 0.26 0.00 0.00 0.00 0.00 44.72 43.68 2pyf s GLY 105 CO 0.26 -1.12 1.76 3.21 0.00 0.00 0.00 173.10 177.22 2pyf h ARG 106 N -0.53 0.00 0.00 2.90 2.47 -1.91 -3.45 114.38 113.86 2pyf h ARG 106 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 2pyf h ARG 106 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2pyf h ARG 106 CO 0.41 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.35 2pyf n GLY 107 N 1.20 -1.19 3.30 0.04 0.00 -1.26 -4.95 105.19 102.32 2pyf n GLY 107 Ca 0.05 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 2pyf n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pyf s THR 108 N -2.95 3.20 -0.46 2.61 2.01 0.37 -4.60 115.64 115.82 2pyf s THR 108 Ca 0.00 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 2pyf s THR 108 Cb 0.00 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 70.11 2pyf s THR 108 CO 0.00 0.45 0.91 -0.55 -0.69 0.00 0.00 174.62 174.74 2pyf s SER 109 N 1.26 6.49 -0.01 3.53 0.15 0.86 -0.12 113.70 125.87 2pyf s SER 109 Ca 0.03 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 2pyf s SER 109 Cb -0.14 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2pyf s SER 109 CO -0.03 -1.03 0.12 -0.22 1.20 0.00 0.00 173.24 173.28 2pyf s LEU 110 N 3.70 4.08 -0.14 3.45 2.96 0.45 -0.24 118.68 132.94 2pyf s LEU 110 Ca 0.36 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.46 2pyf s LEU 110 Cb -0.10 -2.39 0.07 0.00 0.50 0.00 0.00 46.19 44.26 2pyf s LEU 110 CO 0.26 0.27 0.16 -0.63 -1.32 0.00 0.00 176.35 175.09 2pyf s ILE 111 N -1.24 -0.23 -0.35 6.68 1.01 -0.35 -2.14 121.20 124.58 2pyf s ILE 111 Ca 0.24 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 2pyf s ILE 111 Cb -0.12 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 2pyf s ILE 111 CO 0.15 -0.08 0.23 -0.69 0.00 0.00 0.00 174.94 174.55 2pyf s VAL 112 N 2.26 5.08 0.38 2.92 1.01 -1.26 -1.28 120.40 129.50 2pyf s VAL 112 Ca 0.04 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 2pyf s VAL 112 Cb -0.14 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 2pyf s VAL 112 CO -0.09 -0.05 0.96 -1.00 0.00 0.00 0.00 175.10 174.92 2pyf s HIS 113 N 1.68 3.48 0.53 5.22 0.09 0.49 -3.79 115.29 122.99 2pyf s HIS 113 Ca 0.05 1.69 -0.17 0.00 -0.00 0.00 0.00 55.06 56.63 2pyf s HIS 113 Cb -0.18 -2.91 -0.07 0.00 -0.00 0.00 0.00 32.58 29.42 2pyf s HIS 113 CO 0.09 -0.01 1.01 -1.25 -0.00 0.00 0.00 174.74 174.58 2pyf s PRO 114 N -2.60 3.76 -0.33 8.40 0.04 -1.26 -1.37 135.00 141.64 2pyf s PRO 114 Ca 0.56 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 2pyf s PRO 114 Cb -0.15 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2pyf s PRO 114 CO 0.19 -0.43 0.82 -0.47 0.04 0.00 0.00 177.00 177.15 2pyf s TYR 115 N -2.44 3.16 -0.60 0.56 5.04 -1.26 -4.55 117.35 117.26 2pyf s TYR 115 Ca 0.62 0.76 -0.16 0.00 -2.44 0.00 0.00 57.07 55.85 2pyf s TYR 115 Cb -0.13 -3.34 0.15 0.00 0.35 0.00 0.00 41.96 38.99 2pyf s TYR 115 CO 0.29 -0.65 0.57 0.42 -1.34 0.00 0.00 175.55 174.84 2pyf s ILE 116 N 3.09 5.26 0.20 3.14 -1.09 -1.26 -4.94 121.20 125.60 2pyf s ILE 116 Ca 0.33 -1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 56.98 2pyf s ILE 116 Cb -0.13 -4.38 0.13 0.00 -1.58 0.00 0.00 42.46 36.49 2pyf s ILE 116 CO 0.14 -0.92 1.87 -0.61 -1.23 0.00 0.00 174.94 174.19 2pyf h GLN 117 N 8.69 0.89 -3.10 2.79 4.15 -1.94 -3.37 115.11 123.24 2pyf h GLN 117 Ca -0.22 -0.05 -0.62 0.00 0.77 0.00 0.00 58.65 58.53 2pyf h GLN 117 Cb 1.09 -0.20 -0.40 0.00 0.21 0.00 0.00 27.48 28.17 2pyf h GLN 117 CO 0.99 0.59 -0.71 -0.80 -1.93 0.00 0.00 178.83 176.97 2pyf s ASN 118 N -5.81 3.83 0.29 -0.69 0.01 -1.26 -5.11 114.94 106.20 2pyf s ASN 118 Ca -0.13 -2.73 -0.29 0.00 -0.71 0.00 0.00 52.86 49.00 2pyf s ASN 118 Cb 0.14 -1.20 -0.10 0.00 0.41 0.00 0.00 41.25 40.50 2pyf s ASN 118 CO 0.77 -0.26 1.42 -2.84 -1.51 0.00 0.00 177.10 174.68 2pyf s PRO 119 N 0.18 4.26 -0.41 -0.60 0.02 -1.26 -4.97 135.00 132.21 2pyf s PRO 119 Ca 0.17 2.34 0.08 0.00 0.02 0.00 0.00 61.00 63.62 2pyf s PRO 119 Cb -0.25 -3.07 0.28 0.00 0.02 0.00 0.00 34.50 31.48 2pyf s PRO 119 CO 0.00 -0.39 0.71 -3.47 -0.33 0.00 0.00 177.00 173.53 2pyf n ASP 120 N 1.63 -0.61 -4.69 2.53 2.03 0.00 -5.00 116.55 112.43 2pyf n ASP 120 Ca 0.04 -3.01 -0.44 0.00 0.52 0.00 0.00 54.79 51.91 2pyf n ASP 120 Cb 0.40 0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 2pyf n ASP 120 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pyf n PRO 121 N 1.08 2.22 -3.56 -0.67 -0.04 -1.22 -4.51 135.00 128.31 2pyf n PRO 121 Ca 0.18 0.79 -0.12 0.00 -0.04 0.00 0.00 63.50 64.31 2pyf n PRO 121 Cb 0.60 -2.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 2pyf n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pyf s ALA 122 N -0.18 -1.88 -0.15 0.55 0.00 -0.93 -1.37 121.76 117.80 2pyf s ALA 122 Ca 0.65 1.46 0.02 0.00 0.00 0.00 0.00 51.96 54.09 2pyf s ALA 122 Cb -0.60 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.12 2pyf s ALA 122 CO 0.51 -0.37 -0.19 0.08 0.00 0.00 0.00 175.76 175.79 2pyf s VAL 123 N -1.39 1.93 0.12 0.00 1.01 -0.21 -1.03 120.40 120.83 2pyf s VAL 123 Ca -0.03 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.18 2pyf s VAL 123 Cb -0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2pyf s VAL 123 CO 0.02 0.52 -0.24 -0.31 0.00 0.00 0.00 175.10 175.09 2pyf s TYR 124 N 1.10 2.38 -0.15 5.22 2.02 -0.09 -4.13 117.35 123.71 2pyf s TYR 124 Ca -0.01 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.29 2pyf s TYR 124 Cb -0.14 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2pyf s TYR 124 CO -0.07 0.35 0.05 -1.14 -1.57 0.00 0.00 175.55 173.17 2pyf s GLN 125 N -2.08 3.64 0.22 -0.62 0.74 -1.26 0.18 119.66 120.48 2pyf s GLN 125 Ca 0.15 -0.34 0.08 0.00 0.05 0.00 0.00 55.36 55.30 2pyf s GLN 125 Cb -0.10 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 2pyf s GLN 125 CO 0.07 0.45 0.05 -0.51 -0.55 0.00 0.00 175.29 174.81 2pyf s LEU 126 N -0.14 3.42 0.18 3.68 1.02 0.51 -4.96 118.68 122.39 2pyf s LEU 126 Ca 0.07 -0.43 0.08 0.00 0.02 0.00 0.00 54.13 53.86 2pyf s LEU 126 Cb -0.12 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 2pyf s LEU 126 CO 0.01 0.03 -0.03 -0.13 0.02 0.00 0.00 176.35 176.25 2pyf s ARG 127 N -3.43 2.30 0.25 1.70 1.81 -1.26 -2.53 118.95 117.78 2pyf s ARG 127 Ca 0.30 -1.16 -0.30 0.00 -1.72 0.00 0.00 55.73 52.85 2pyf s ARG 127 Cb -0.08 -2.29 -0.09 0.00 -0.45 0.00 0.00 34.95 32.04 2pyf s ARG 127 CO 0.21 0.45 1.07 0.34 -0.68 0.00 0.00 175.30 176.68 2pyf s ASP 128 N -2.92 7.34 0.30 0.23 3.68 -1.16 -4.95 116.67 119.18 2pyf s ASP 128 Ca 0.27 2.17 -0.02 0.00 2.13 0.00 0.00 52.55 57.10 2pyf s ASP 128 Cb -0.09 -2.62 0.44 0.00 -1.45 0.00 0.00 42.92 39.20 2pyf s ASP 128 CO 0.18 -0.11 1.92 0.77 0.13 0.00 0.00 175.17 178.06 2pyf h SER 129 N 4.20 0.88 0.83 -0.34 4.64 -1.99 -1.53 113.55 120.24 2pyf h SER 129 Ca -0.46 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2pyf h SER 129 Cb 1.21 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2pyf h SER 129 CO 0.68 0.71 0.00 0.11 -0.87 0.00 0.00 176.83 177.46 2pyf h LYS 130 N 0.99 0.00 -4.87 4.77 1.57 -2.01 -3.47 116.57 113.56 2pyf h LYS 130 Ca 0.25 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 2pyf h LYS 130 Cb 0.02 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.39 2pyf h LYS 130 CO -0.04 0.00 -0.25 0.43 -0.57 0.00 0.00 179.45 179.01 2pyf n SER 131 N -2.78 -6.17 -1.06 0.86 7.64 -0.58 -4.96 113.62 106.57 2pyf n SER 131 Ca 0.01 -0.24 0.05 0.00 1.01 0.00 0.00 58.87 59.70 2pyf n SER 131 Cb 0.26 -4.29 0.26 0.00 -1.01 0.00 0.00 64.21 59.43 2pyf n SER 131 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2pyf n SER 132 N -2.07 3.79 0.00 6.43 7.64 -1.26 -4.91 113.62 123.24 2pyf n SER 132 Ca -0.02 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.70 2pyf n SER 132 Cb 0.54 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2pyf n SER 132 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2pyf n ASP 133 N -0.56 0.00 -4.79 6.43 4.64 -1.26 -4.99 116.55 116.02 2pyf n ASP 133 Ca 0.25 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.35 2pyf n ASP 133 Cb 0.97 -0.44 0.07 0.00 -1.04 0.00 0.00 41.12 40.68 2pyf n ASP 133 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2pyf s LYS 134 N -0.11 2.59 0.17 -0.67 1.02 -1.26 -4.97 119.74 116.50 2pyf s LYS 134 Ca 0.00 1.07 -0.24 0.00 0.02 0.00 0.00 55.97 56.82 2pyf s LYS 134 Cb 0.00 -1.94 0.06 0.00 -0.52 0.00 0.00 37.83 35.43 2pyf s LYS 134 CO 0.00 -1.38 0.80 -1.54 -0.92 0.00 0.00 175.35 172.31 2pyf s SER 135 N -3.56 -0.31 0.06 2.83 1.04 -1.26 -2.98 113.70 109.51 2pyf s SER 135 Ca 0.60 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 2pyf s SER 135 Cb -0.16 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2pyf s SER 135 CO 0.55 -1.02 0.24 -0.69 0.98 0.00 0.00 173.24 173.30 2pyf s VAL 136 N -3.56 0.11 0.04 5.02 1.01 -1.05 -4.69 120.40 117.28 2pyf s VAL 136 Ca 0.08 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2pyf s VAL 136 Cb -0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2pyf s VAL 136 CO -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 175.10 174.54 2pyf s LEU 138 N -1.81 1.98 -0.34 0.00 2.96 0.13 -1.53 118.68 120.07 2pyf s LEU 138 Ca 0.20 -0.77 -0.15 0.00 -0.22 0.00 0.00 54.13 53.19 2pyf s LEU 138 Cb -0.11 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 2pyf s LEU 138 CO 0.12 -0.15 0.35 0.12 -1.32 0.00 0.00 176.35 175.47 2pyf s PHE 139 N 1.49 3.21 0.28 5.38 5.36 -0.16 -0.92 117.98 132.63 2pyf s PHE 139 Ca -0.00 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 55.95 2pyf s PHE 139 Cb -0.16 -2.66 -0.04 0.00 -0.34 0.00 0.00 43.02 39.83 2pyf s PHE 139 CO -0.08 -0.43 0.16 -0.08 -1.46 0.00 0.00 175.22 173.33 2pyf s THR 140 N 1.99 0.22 -0.89 0.12 -1.32 -0.20 -0.30 115.64 115.26 2pyf s THR 140 Ca 0.11 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.59 2pyf s THR 140 Cb -0.17 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 2pyf s THR 140 CO 0.12 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.00 2pyf n ASP 141 N -0.83 -5.57 -4.84 8.08 8.00 -0.57 -2.20 116.55 118.61 2pyf n ASP 141 Ca 0.02 0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.41 2pyf n ASP 141 Cb 0.65 -3.82 -0.02 0.00 -0.02 0.00 0.00 41.12 37.91 2pyf n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2pyf s PHE 142 N -1.79 3.41 0.68 1.24 -0.71 -1.26 -0.82 117.98 118.73 2pyf s PHE 142 Ca 0.00 1.45 -0.15 0.00 -1.04 0.00 0.00 56.93 57.19 2pyf s PHE 142 Cb 0.00 -2.81 0.01 0.00 -1.21 0.00 0.00 43.02 39.01 2pyf s PHE 142 CO 0.00 -0.51 1.16 0.34 -1.34 0.00 0.00 175.22 174.87 2pyf s ASP 143 N -3.16 4.73 0.00 1.98 3.68 -1.26 -4.52 116.67 118.13 2pyf s ASP 143 Ca 0.59 2.18 0.07 0.00 2.13 0.00 0.00 52.55 57.52 2pyf s ASP 143 Cb -0.11 -2.57 0.42 0.00 -1.45 0.00 0.00 42.92 39.21 2pyf s ASP 143 CO 0.35 -1.89 0.88 -1.20 0.13 0.00 0.00 175.17 173.43 2pyf n SER 144 N -2.47 0.00 0.01 -0.34 7.64 -1.26 -2.36 113.62 114.83 2pyf n SER 144 Ca 0.12 -0.79 0.11 0.00 1.01 0.00 0.00 58.87 59.32 2pyf n SER 144 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 2pyf n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pyf n GLN 145 N -0.72 0.31 -2.51 1.43 6.02 -1.26 -4.92 117.38 115.74 2pyf n GLN 145 Ca 0.05 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2pyf n GLN 145 Cb 0.02 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.70 2pyf n GLN 145 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2pyf s THR 146 N -3.23 4.29 -0.06 5.09 2.01 -1.00 -5.04 115.64 117.71 2pyf s THR 146 Ca 0.02 1.64 0.02 0.00 0.31 0.00 0.00 61.69 63.68 2pyf s THR 146 Cb 0.15 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2pyf s THR 146 CO 0.85 0.11 -0.09 0.20 -0.69 0.00 0.00 174.62 174.99 2pyf s ASN 147 N 1.11 4.47 -0.17 3.53 0.02 -1.26 -5.00 114.94 117.63 2pyf s ASN 147 Ca 0.56 -0.07 -0.06 0.00 -1.02 0.00 0.00 52.86 52.27 2pyf s ASN 147 Cb -0.26 -1.08 -0.04 0.00 0.02 0.00 0.00 41.25 39.89 2pyf s ASN 147 CO 0.28 0.36 0.03 -0.69 0.02 0.00 0.00 177.10 177.10 2pyf s VAL 148 N -0.79 4.52 0.04 1.60 1.01 -1.26 -4.55 120.40 120.96 2pyf s VAL 148 Ca 0.12 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2pyf s VAL 148 Cb -0.11 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2pyf s VAL 148 CO 0.01 0.47 0.01 -0.44 0.00 0.00 0.00 175.10 175.15 2pyf s SER 149 N 0.36 5.15 0.28 3.32 0.01 -1.26 -5.02 113.70 116.54 2pyf s SER 149 Ca 0.01 -0.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.92 2pyf s SER 149 Cb -0.13 -1.32 -0.10 0.00 0.21 0.00 0.00 66.02 64.68 2pyf s SER 149 CO 0.01 0.23 1.44 -1.58 0.41 0.00 0.00 173.24 173.75 2pyf s GLN 150 N -1.89 4.26 0.81 12.44 2.00 -1.26 -4.95 119.66 131.06 2pyf s GLN 150 Ca 0.23 2.33 -0.12 0.00 -2.00 0.00 0.00 55.36 55.80 2pyf s GLN 150 Cb -0.12 -3.08 0.09 0.00 0.80 0.00 0.00 33.01 30.70 2pyf s GLN 150 CO 0.14 -0.41 1.17 -1.54 -0.50 0.00 0.00 175.29 174.15 2pyf s SER 151 N 0.20 3.67 -0.78 6.67 1.04 -1.26 -4.95 113.70 118.29 2pyf s SER 151 Ca 0.57 2.24 0.01 0.00 0.48 0.00 0.00 55.95 59.26 2pyf s SER 151 Cb -0.42 -2.57 0.35 0.00 0.10 0.00 0.00 66.02 63.47 2pyf s SER 151 CO 0.47 -2.61 1.59 0.29 0.98 0.00 0.00 173.24 173.96 2pyf n LYS 152 N -3.44 3.86 -3.82 4.02 5.02 -1.26 -4.94 118.16 117.60 2pyf n LYS 152 Ca 0.12 -4.34 -0.13 0.00 -2.02 0.00 0.00 58.31 51.94 2pyf n LYS 152 Cb 0.51 -2.33 -0.14 0.00 -0.02 0.00 0.00 35.03 33.06 2pyf n LYS 152 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2pyf s ASP 153 N -2.07 -0.05 0.10 4.39 3.68 -1.26 -5.09 116.67 116.37 2pyf s ASP 153 Ca 0.46 0.13 -0.29 0.00 2.13 0.00 0.00 52.55 54.98 2pyf s ASP 153 Cb 0.32 0.10 -0.12 0.00 -1.45 0.00 0.00 42.92 41.77 2pyf s ASP 153 CO -0.23 -0.06 1.63 0.77 0.13 0.00 0.00 175.17 177.41 2pyf h SER 154 N 6.44 -0.80 -0.30 -0.34 4.64 -2.04 -3.11 113.55 118.03 2pyf h SER 154 Ca -0.31 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 2pyf h SER 154 Cb 1.18 0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.52 2pyf h SER 154 CO 0.47 -0.42 0.06 0.47 -0.87 0.00 0.00 176.83 176.54 2pyf n ASP 155 N -5.41 3.20 -4.26 4.97 10.43 -1.26 -4.86 116.55 119.36 2pyf n ASP 155 Ca -0.09 -2.49 -0.32 0.00 2.57 0.00 0.00 54.79 54.47 2pyf n ASP 155 Cb 0.32 -0.60 -0.16 0.00 1.84 0.00 0.00 41.12 42.51 2pyf n ASP 155 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2pyf s VAL 156 N -1.74 2.09 0.03 2.53 1.01 -1.18 -2.29 120.40 120.86 2pyf s VAL 156 Ca 0.25 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2pyf s VAL 156 Cb 0.20 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2pyf s VAL 156 CO 0.07 0.57 -0.16 -0.31 0.00 0.00 0.00 175.10 175.26 2pyf s TYR 157 N -0.06 1.42 -0.04 5.22 2.02 -0.29 -4.78 117.35 120.84 2pyf s TYR 157 Ca -0.07 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2pyf s TYR 157 Cb -0.15 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.58 2pyf s TYR 157 CO 0.05 0.04 -0.03 0.42 -1.57 0.00 0.00 175.55 174.45 2pyf s ILE 158 N -0.73 0.41 0.58 2.71 1.01 -1.26 -1.84 121.20 122.09 2pyf s ILE 158 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 2pyf s ILE 158 Cb -0.08 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.96 2pyf s ILE 158 CO 0.01 0.19 0.85 0.42 0.00 0.00 0.00 174.94 176.41 2pyf s THR 159 N 0.86 3.21 0.94 2.92 -4.23 -0.10 -4.92 115.64 114.32 2pyf s THR 159 Ca -0.11 -0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.97 2pyf s THR 159 Cb -0.14 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.60 2pyf s THR 159 CO -0.00 -0.24 1.15 -0.62 -0.54 0.00 0.00 174.62 174.37 2pyf s ASP 160 N -4.36 3.22 0.06 3.99 3.68 -1.26 -4.48 116.67 117.52 2pyf s ASP 160 Ca 0.55 0.89 -0.17 0.00 2.13 0.00 0.00 52.55 55.95 2pyf s ASP 160 Cb -0.10 -1.39 -0.06 0.00 -1.45 0.00 0.00 42.92 39.91 2pyf s ASP 160 CO 0.42 -2.73 0.51 -1.59 0.13 0.00 0.00 175.17 171.91 2pyf s LYS 161 N -5.33 4.06 0.20 4.34 -2.85 -1.26 -4.60 119.74 114.30 2pyf s LYS 161 Ca 0.65 0.58 0.04 0.00 -1.00 0.00 0.00 55.97 56.25 2pyf s LYS 161 Cb -0.14 -3.18 -0.05 0.00 -2.06 0.00 0.00 37.83 32.40 2pyf s LYS 161 CO 0.54 0.63 -0.05 0.00 0.10 0.00 0.00 175.35 176.57 2pyf s VAL 163 N -3.36 3.46 -0.05 0.00 1.01 -1.26 -2.30 120.40 117.90 2pyf s VAL 163 Ca 0.24 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2pyf s VAL 163 Cb 0.04 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 2pyf s VAL 163 CO 0.05 0.55 -0.19 -1.48 0.00 0.00 0.00 175.10 174.04 2pyf s LEU 164 N -0.22 1.95 -0.22 3.92 0.05 -0.80 -4.97 118.68 118.39 2pyf s LEU 164 Ca 0.02 -0.40 -0.04 0.00 0.05 0.00 0.00 54.13 53.76 2pyf s LEU 164 Cb -0.13 -1.08 -0.01 0.00 -2.05 0.00 0.00 46.19 42.92 2pyf s LEU 164 CO 0.03 0.17 -0.03 -0.62 -0.55 0.00 0.00 176.35 175.35 2pyf s ASP 165 N 0.02 4.38 -0.98 1.48 2.15 -1.26 -1.61 116.67 120.85 2pyf s ASP 165 Ca -0.05 -0.39 -0.18 0.00 0.43 0.00 0.00 52.55 52.36 2pyf s ASP 165 Cb -0.12 -1.76 0.13 0.00 -0.30 0.00 0.00 42.92 40.87 2pyf s ASP 165 CO 0.03 -0.03 1.21 -0.04 -0.17 0.00 0.00 175.17 176.17 2pyf s MET 166 N 1.49 3.67 0.22 4.34 -1.94 0.34 -4.89 119.30 122.52 2pyf s MET 166 Ca 0.06 -1.82 -0.15 0.00 -1.71 0.00 0.00 55.69 52.08 2pyf s MET 166 Cb -0.14 -4.99 0.25 0.00 2.01 0.00 0.00 34.83 31.95 2pyf s MET 166 CO -0.03 -1.82 1.60 0.00 -0.01 0.00 0.00 175.02 174.76 2pyf h ARG 167 N 8.68 -0.04 -0.98 2.03 3.08 -1.96 -1.05 114.38 124.13 2pyf h ARG 167 Ca 0.19 0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.53 2pyf h ARG 167 Cb 1.00 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.92 2pyf h ARG 167 CO 1.16 -0.03 0.50 0.66 -1.07 0.00 0.00 179.97 181.20 2pyf h SER 168 N -0.04 0.43 -0.11 7.04 4.64 -1.96 -1.74 113.55 121.81 2pyf h SER 168 Ca 0.32 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2pyf h SER 168 Cb 0.54 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2pyf h SER 168 CO -0.74 -0.10 0.00 1.15 -0.87 0.00 0.00 176.83 176.27 2pyf n MET 169 N -5.06 2.32 -3.93 4.77 0.00 -0.86 -5.00 117.12 109.35 2pyf n MET 169 Ca 0.29 -2.28 -0.28 0.00 0.00 0.00 0.00 57.70 55.42 2pyf n MET 169 Cb 0.88 -1.42 -0.01 0.00 0.00 0.00 0.00 33.22 32.67 2pyf n MET 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2pyf n ASP 170 N -0.71 -1.40 -3.98 3.17 2.03 -0.45 -4.97 116.55 110.23 2pyf n ASP 170 Ca 0.12 -1.05 -0.28 0.00 0.52 0.00 0.00 54.79 54.11 2pyf n ASP 170 Cb 0.57 -2.93 -0.17 0.00 -0.72 0.00 0.00 41.12 37.87 2pyf n ASP 170 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2pyf s PHE 171 N -3.87 1.80 0.02 -0.67 5.36 -0.95 -4.98 117.98 114.69 2pyf s PHE 171 Ca 0.12 -0.91 0.08 0.00 -0.96 0.00 0.00 56.93 55.27 2pyf s PHE 171 Cb -0.05 -1.37 -0.03 0.00 -0.34 0.00 0.00 43.02 41.23 2pyf s PHE 171 CO 0.90 -0.53 -0.25 -1.59 -1.46 0.00 0.00 175.22 172.29 2pyf s LYS 172 N 1.39 1.97 0.06 10.12 -2.85 -1.26 0.13 119.74 129.30 2pyf s LYS 172 Ca 0.01 -1.02 -0.05 0.00 -1.00 0.00 0.00 55.97 53.91 2pyf s LYS 172 Cb -0.13 -2.04 -0.02 0.00 -2.06 0.00 0.00 37.83 33.57 2pyf s LYS 172 CO -0.07 0.54 0.08 -1.54 0.10 0.00 0.00 175.35 174.46 2pyf s SER 173 N -1.04 0.29 0.12 0.03 1.04 -0.63 -4.92 113.70 108.60 2pyf s SER 173 Ca 0.11 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2pyf s SER 173 Cb -0.10 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 2pyf s SER 173 CO 0.01 -0.64 0.28 0.20 0.98 0.00 0.00 173.24 174.08 2pyf s ASN 174 N -2.78 6.37 0.13 7.02 0.01 -1.26 -1.91 114.94 122.52 2pyf s ASN 174 Ca 0.04 0.27 -0.20 0.00 -0.71 0.00 0.00 52.86 52.27 2pyf s ASN 174 Cb 0.05 -1.96 0.05 0.00 0.41 0.00 0.00 41.25 39.81 2pyf s ASN 174 CO -0.10 0.08 0.50 -0.94 -1.51 0.00 0.00 177.10 175.13 2pyf s SER 175 N -2.90 -0.40 -0.11 -1.22 1.04 -0.97 -1.52 113.70 107.62 2pyf s SER 175 Ca 0.36 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 2pyf s SER 175 Cb -0.12 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2pyf s SER 175 CO 0.28 -0.88 0.28 0.00 0.98 0.00 0.00 173.24 173.91 2pyf s ALA 176 N -3.55 -0.69 -0.01 5.32 0.00 0.59 -2.23 121.76 121.18 2pyf s ALA 176 Ca 0.01 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2pyf s ALA 176 Cb 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2pyf s ALA 176 CO -0.11 -0.15 -0.00 0.08 0.00 0.00 0.00 175.76 175.58 2pyf s VAL 177 N 0.40 4.16 0.01 0.00 1.01 -1.26 -0.99 120.40 123.73 2pyf s VAL 177 Ca -0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2pyf s VAL 177 Cb -0.04 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2pyf s VAL 177 CO -0.02 0.41 -0.01 0.00 0.00 0.00 0.00 175.10 175.48 2pyf s ALA 178 N -1.06 0.03 0.26 5.51 0.00 -0.58 -0.93 121.76 125.00 2pyf s ALA 178 Ca 0.19 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 2pyf s ALA 178 Cb -0.11 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2pyf s ALA 178 CO 0.09 -0.06 0.61 1.67 0.00 0.00 0.00 175.76 178.07 2pyf s TRP 179 N -0.51 0.06 -0.12 0.00 -2.14 -0.77 -0.12 118.94 115.35 2pyf s TRP 179 Ca -0.06 -0.48 -0.08 0.00 2.66 0.00 0.00 56.10 58.14 2pyf s TRP 179 Cb -0.03 0.47 0.04 0.00 -3.10 0.00 0.00 33.47 30.84 2pyf s TRP 179 CO -0.00 -1.13 0.30 -1.54 -2.66 0.00 0.00 176.95 171.92 2pyf s SER 180 N -2.97 -0.32 -0.13 -2.66 1.04 -1.26 -1.14 113.70 106.26 2pyf s SER 180 Ca 0.16 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2pyf s SER 180 Cb -0.04 0.56 0.13 0.00 0.10 0.00 0.00 66.02 66.78 2pyf s SER 180 CO 0.08 -0.14 1.63 0.59 0.98 0.00 0.00 173.24 176.38 2pyf n ASN 181 N 3.57 4.60 -4.90 7.02 3.02 -0.97 -4.88 115.26 122.72 2pyf n ASN 181 Ca -0.19 -2.56 -0.32 0.00 -0.03 0.00 0.00 54.58 51.48 2pyf n ASN 181 Cb 0.56 -0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 38.84 2pyf n ASN 181 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2pyf s LYS 182 N -0.84 3.55 -0.53 3.52 2.47 -1.26 -5.04 119.74 121.61 2pyf s LYS 182 Ca 0.14 -0.22 -0.28 0.00 -1.56 0.00 0.00 55.97 54.06 2pyf s LYS 182 Cb 0.12 -2.94 0.01 0.00 -1.46 0.00 0.00 37.83 33.56 2pyf s LYS 182 CO 0.01 0.53 1.42 0.45 0.16 0.00 0.00 175.35 177.93 2pyf s SER 183 N -2.40 6.16 -0.58 1.43 0.15 -1.26 -4.09 113.70 113.10 2pyf s SER 183 Ca 0.38 0.40 -0.08 0.00 0.70 0.00 0.00 55.95 57.35 2pyf s SER 183 Cb -0.13 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.65 2pyf s SER 183 CO 0.25 -1.66 0.65 0.47 1.20 0.00 0.00 173.24 174.15 2pyf n ASP 184 N 9.47 -7.85 -4.03 5.45 10.43 -1.26 -5.05 116.55 123.71 2pyf n ASP 184 Ca 0.13 0.23 -0.21 0.00 2.57 0.00 0.00 54.79 57.51 2pyf n ASP 184 Cb 0.49 -5.30 -0.16 0.00 1.84 0.00 0.00 41.12 37.99 2pyf n ASP 184 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2pyf s PHE 185 N -2.79 1.10 -0.54 1.24 2.19 -1.26 -5.10 117.98 112.82 2pyf s PHE 185 Ca 0.13 -0.28 -0.28 0.00 0.33 0.00 0.00 56.93 56.82 2pyf s PHE 185 Cb -0.04 -0.77 0.03 0.00 -1.31 0.00 0.00 43.02 40.93 2pyf s PHE 185 CO 0.76 -0.11 1.18 0.00 1.83 0.00 0.00 175.22 178.88 2pyf s ALA 186 N 0.17 3.04 0.29 11.12 0.00 -1.26 -4.89 121.76 130.23 2pyf s ALA 186 Ca -0.03 -0.69 0.34 0.00 0.00 0.00 0.00 51.96 51.58 2pyf s ALA 186 Cb -0.09 -3.99 1.60 0.00 0.00 0.00 0.00 23.12 20.64 2pyf s ALA 186 CO 0.01 -2.53 2.08 0.00 0.00 0.00 0.00 175.76 175.31 2pyf h ALA 188 N 1.96 2.40 0.00 0.00 0.00 -1.94 0.71 119.26 122.39 2pyf h ALA 188 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pyf h ALA 188 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2pyf h ALA 188 CO 0.01 -0.55 0.00 0.09 0.00 0.00 0.00 179.25 178.80 2pyf n ASN 189 N -4.40 0.14 0.23 0.00 3.02 -1.11 -3.13 115.26 110.00 2pyf n ASN 189 Ca 0.09 0.53 0.11 0.00 -0.03 0.00 0.00 54.58 55.28 2pyf n ASN 189 Cb 0.55 -0.56 0.54 0.00 -0.61 0.00 0.00 39.78 39.70 2pyf n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pyf h ALA 190 N 2.57 1.09 -0.11 5.41 0.00 -1.06 -3.03 119.26 124.14 2pyf h ALA 190 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2pyf h ALA 190 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2pyf h ALA 190 CO 0.00 0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.69 2pyf n PHE 191 N -3.47 0.30 -1.15 0.00 3.01 -1.18 -4.59 117.46 110.37 2pyf n PHE 191 Ca -0.00 -0.11 -0.37 0.00 1.01 0.00 0.00 57.45 57.97 2pyf n PHE 191 Cb 0.37 -0.11 -0.09 0.00 -0.01 0.00 0.00 39.48 39.64 2pyf n PHE 191 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2pyf n ASN 192 N 0.03 1.93 0.00 4.37 3.02 -1.15 -4.55 115.26 118.91 2pyf n ASN 192 Ca 0.05 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 2pyf n ASN 192 Cb 0.31 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 2pyf n ASN 192 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pyf n ASN 193 N 11.05 0.00 -3.74 6.41 3.02 -1.26 -5.01 115.26 125.74 2pyf n ASN 193 Ca 0.47 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.74 2pyf n ASN 193 Cb 0.43 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.49 2pyf n ASN 193 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2pyf s SER 194 N 1.00 3.73 0.48 6.41 0.15 -1.26 -5.09 113.70 119.12 2pyf s SER 194 Ca 0.00 -3.59 0.05 0.00 0.70 0.00 0.00 55.95 53.11 2pyf s SER 194 Cb 0.00 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.06 2pyf s SER 194 CO 0.00 -0.11 0.25 0.27 1.20 0.00 0.00 173.24 174.85 2pyf s ILE 195 N -0.96 1.86 0.47 6.45 -4.36 -1.26 -4.43 121.20 118.97 2pyf s ILE 195 Ca 0.27 -1.65 -0.23 0.00 -0.26 0.00 0.00 60.65 58.78 2pyf s ILE 195 Cb -0.02 -2.51 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 2pyf s ILE 195 CO -0.18 0.00 1.24 -0.63 0.24 0.00 0.00 174.94 175.62 2pyf s ILE 196 N -2.71 2.74 0.12 8.37 1.09 -1.26 -4.94 121.20 124.61 2pyf s ILE 196 Ca 0.32 0.58 0.26 0.00 -1.10 0.00 0.00 60.65 60.71 2pyf s ILE 196 Cb 0.01 -3.31 0.27 0.00 -1.06 0.00 0.00 42.46 38.37 2pyf s ILE 196 CO 0.19 0.02 1.86 -0.65 -0.10 0.00 0.00 174.94 176.25 2pyf h PRO 197 N 2.06 0.00 -0.36 2.79 0.11 -2.02 -2.93 132.00 131.64 2pyf h PRO 197 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pyf h PRO 197 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2pyf h PRO 197 CO 0.60 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 2pyf n ASP 198 N -3.33 2.01 -4.72 -2.05 10.43 -1.26 -4.94 116.55 112.68 2pyf n ASP 198 Ca 0.00 -1.96 -0.42 0.00 2.57 0.00 0.00 54.79 54.98 2pyf n ASP 198 Cb 0.40 -0.24 -0.03 0.00 1.84 0.00 0.00 41.12 43.10 2pyf n ASP 198 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2pyf s THR 199 N -1.53 2.04 -0.21 -3.53 -1.32 -1.11 -4.85 115.64 105.13 2pyf s THR 199 Ca 0.26 0.03 -0.27 0.00 -1.21 0.00 0.00 61.69 60.51 2pyf s THR 199 Cb 0.14 -3.02 -0.00 0.00 -1.51 0.00 0.00 72.50 68.11 2pyf s THR 199 CO 0.19 0.00 0.91 0.12 -2.21 0.00 0.00 174.62 173.63 2pyf s PHE 200 N 1.03 3.37 -0.66 9.09 5.36 -0.47 -4.92 117.98 130.79 2pyf s PHE 200 Ca 0.73 1.32 0.06 0.00 -0.96 0.00 0.00 56.93 58.08 2pyf s PHE 200 Cb -0.49 -3.12 0.25 0.00 -0.34 0.00 0.00 43.02 39.31 2pyf s PHE 200 CO 0.34 -0.37 0.77 1.19 -1.46 0.00 0.00 175.22 175.69 2pyf n PHE 201 N 5.82 3.62 -1.87 10.12 3.72 -1.26 -1.05 117.46 136.56 2pyf n PHE 201 Ca 0.08 -4.11 -0.40 0.00 -0.05 0.00 0.00 57.45 52.97 2pyf n PHE 201 Cb 0.47 -0.58 0.01 0.00 -0.94 0.00 0.00 39.48 38.44 2pyf n PHE 201 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2pyf s PRO 202 N -2.50 3.82 0.14 -1.08 0.04 -1.26 -4.95 135.00 129.22 2pyf s PRO 202 Ca 0.40 2.37 -0.31 0.00 0.04 0.00 0.00 61.00 63.50 2pyf s PRO 202 Cb 0.15 -2.73 -0.08 0.00 0.04 0.00 0.00 34.50 31.88 2pyf s PRO 202 CO -0.01 -0.69 1.34 -1.54 0.04 0.00 0.00 177.00 176.15 2pyf s SER 203 N -0.51 6.87 0.41 6.66 1.04 -1.26 -4.83 113.70 122.08 2pyf s SER 203 Ca 0.59 2.33 0.21 0.00 0.48 0.00 0.00 55.95 59.56 2pyf s SER 203 Cb -0.43 -2.59 1.18 0.00 0.10 0.00 0.00 66.02 64.28 2pyf s SER 203 CO 0.55 -0.59 1.74 -0.65 0.98 0.00 0.00 173.24 175.27 2pyf h PRO 204 N 6.26 0.31 0.00 4.02 0.11 -1.94 -3.50 132.00 137.26 2pyf h PRO 204 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pyf h PRO 204 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pyf h PRO 204 CO 0.83 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.97