#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fpt s VAL 2 N 0.00 4.30 -0.15 5.09 1.01 -1.26 -4.17 120.40 125.22 1fpt s VAL 2 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.26 1fpt s VAL 2 Cb 0.00 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.85 1fpt s VAL 2 CO 0.00 -0.89 -0.19 -1.10 0.00 0.00 0.00 175.10 172.92 1fpt s GLN 3 N 4.22 2.77 -0.20 2.72 -0.21 0.17 -5.00 119.66 124.14 1fpt s GLN 3 Ca 0.46 -0.76 -0.08 0.00 0.02 0.00 0.00 55.36 55.01 1fpt s GLN 3 Cb -0.08 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 1fpt s GLN 3 CO 0.28 -0.10 0.08 -0.51 -2.12 0.00 0.00 175.29 172.92 1fpt s LEU 4 N 1.05 3.80 -0.21 2.90 1.02 -1.26 -0.25 118.68 125.73 1fpt s LEU 4 Ca -0.02 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.17 1fpt s LEU 4 Cb -0.14 -1.98 0.05 0.00 0.02 0.00 0.00 46.19 44.14 1fpt s LEU 4 CO -0.06 0.12 -0.06 -1.58 0.02 0.00 0.00 176.35 174.80 1fpt s GLN 5 N 0.68 1.58 0.30 1.70 0.74 0.31 -4.22 119.66 120.76 1fpt s GLN 5 Ca 0.04 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.64 1fpt s GLN 5 Cb -0.13 -2.38 -0.04 0.00 1.10 0.00 0.00 33.01 31.56 1fpt s GLN 5 CO 0.02 -0.53 0.50 -0.65 -0.55 0.00 0.00 175.29 174.08 1fpt s GLN 6 N 1.49 3.50 0.38 1.67 -0.21 -1.26 -0.44 119.66 124.78 1fpt s GLN 6 Ca -0.03 -0.34 0.19 0.00 0.02 0.00 0.00 55.36 55.20 1fpt s GLN 6 Cb -0.17 -2.71 1.18 0.00 1.00 0.00 0.00 33.01 32.30 1fpt s GLN 6 CO -0.07 0.23 1.67 1.03 -2.12 0.00 0.00 175.29 176.03 1fpt h SER 7 N 1.13 0.44 0.00 5.90 0.87 -1.76 -3.49 113.55 116.64 1fpt h SER 7 Ca -0.49 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1fpt h SER 7 Cb 1.21 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1fpt h SER 7 CO 0.63 -0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.43 1fpt n GLY 8 N -1.38 0.71 3.58 5.77 0.00 -1.26 -4.97 105.19 107.64 1fpt n GLY 8 Ca 0.32 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 1fpt n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fpt s ALA 9 N -1.02 -1.74 -0.05 4.61 0.00 -1.26 -3.61 121.76 118.69 1fpt s ALA 9 Ca 0.00 2.25 0.03 0.00 0.00 0.00 0.00 51.96 54.24 1fpt s ALA 9 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1fpt s ALA 9 CO 0.00 -0.36 -0.14 -1.21 0.00 0.00 0.00 175.76 174.05 1fpt s GLU 10 N 1.48 1.59 -0.21 0.00 2.02 -1.08 -4.75 118.70 117.75 1fpt s GLU 10 Ca -0.09 -0.49 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 1fpt s GLU 10 Cb -0.05 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.76 1fpt s GLU 10 CO -0.17 0.15 0.12 -1.17 0.02 0.00 0.00 175.26 174.20 1fpt s LEU 11 N 0.27 3.98 -0.08 1.80 0.20 -1.26 -1.27 118.68 122.32 1fpt s LEU 11 Ca -0.07 0.10 0.04 0.00 0.69 0.00 0.00 54.13 54.88 1fpt s LEU 11 Cb -0.12 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 1fpt s LEU 11 CO 0.02 0.11 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.31 1fpt s VAL 12 N 0.76 1.72 0.22 1.68 1.01 -1.05 -5.00 120.40 119.73 1fpt s VAL 12 Ca 0.06 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1fpt s VAL 12 Cb -0.13 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1fpt s VAL 12 CO 0.02 0.48 1.35 0.00 0.00 0.00 0.00 175.10 176.95 1fpt s ARG 13 N 0.31 4.35 0.32 2.72 1.70 -1.25 -0.66 118.95 126.43 1fpt s ARG 13 Ca -0.13 2.14 -0.28 0.00 -0.47 0.00 0.00 55.73 56.99 1fpt s ARG 13 Cb -0.16 -3.16 -0.13 0.00 -0.57 0.00 0.00 34.95 30.93 1fpt s ARG 13 CO 0.06 -0.30 1.19 -2.30 -1.08 0.00 0.00 175.30 172.87 1fpt n PRO 14 N 2.41 1.84 0.00 3.89 -0.02 -1.26 -2.14 135.00 139.71 1fpt n PRO 14 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1fpt n PRO 14 Cb 0.42 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1fpt n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fpt n GLY 15 N 0.99 3.13 3.79 -1.23 0.00 0.12 -4.90 105.19 107.08 1fpt n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1fpt n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fpt s THR 16 N -2.15 2.00 0.16 2.61 2.01 -0.91 -4.42 115.64 114.93 1fpt s THR 16 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1fpt s THR 16 Cb 0.00 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1fpt s THR 16 CO 0.00 0.00 -0.11 -0.94 -0.69 0.00 0.00 174.62 172.88 1fpt s SER 17 N -4.04 1.95 0.03 3.53 1.04 -1.26 -1.35 113.70 113.60 1fpt s SER 17 Ca 0.64 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1fpt s SER 17 Cb -0.15 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1fpt s SER 17 CO 0.53 -0.29 -0.10 -0.69 0.98 0.00 0.00 173.24 173.67 1fpt s VAL 18 N -3.22 0.76 -0.43 5.02 1.01 -0.88 -4.94 120.40 117.72 1fpt s VAL 18 Ca 0.17 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1fpt s VAL 18 Cb 0.02 -0.73 0.12 0.00 0.00 0.00 0.00 36.38 35.79 1fpt s VAL 18 CO 0.02 -0.10 0.25 -0.75 0.00 0.00 0.00 175.10 174.51 1fpt s LYS 19 N -1.07 2.14 0.18 2.72 2.20 -1.25 0.03 119.74 124.70 1fpt s LYS 19 Ca -0.02 -1.84 -0.25 0.00 -0.36 0.00 0.00 55.97 53.49 1fpt s LYS 19 Cb -0.07 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.49 1fpt s LYS 19 CO 0.01 -1.11 0.79 0.08 -0.36 0.00 0.00 175.35 174.76 1fpt s VAL 20 N 1.14 4.35 0.17 4.02 1.01 0.96 -4.88 120.40 127.16 1fpt s VAL 20 Ca 0.08 1.71 0.07 0.00 0.00 0.00 0.00 61.98 63.84 1fpt s VAL 20 Cb -0.23 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1fpt s VAL 20 CO -0.03 0.48 -0.01 -0.94 0.00 0.00 0.00 175.10 174.59 1fpt s SER 21 N -1.22 4.73 -0.17 3.32 1.04 -1.26 -1.10 113.70 119.04 1fpt s SER 21 Ca 0.37 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1fpt s SER 21 Cb -0.23 -1.00 0.04 0.00 0.10 0.00 0.00 66.02 64.94 1fpt s SER 21 CO 0.26 0.10 -0.10 0.00 0.98 0.00 0.00 173.24 174.49 1fpt s LYS 23 N 1.50 3.51 -0.21 0.00 2.20 0.41 -0.83 119.74 126.32 1fpt s LYS 23 Ca 0.01 -0.57 -0.17 0.00 -0.36 0.00 0.00 55.97 54.88 1fpt s LYS 23 Cb -0.15 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1fpt s LYS 23 CO -0.09 -0.25 0.45 0.00 -0.36 0.00 0.00 175.35 175.10 1fpt s ALA 24 N 1.59 3.56 0.14 3.13 0.00 -0.74 -0.53 121.76 128.91 1fpt s ALA 24 Ca 0.06 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 51.57 1fpt s ALA 24 Cb -0.16 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1fpt s ALA 24 CO 0.03 -0.44 -0.17 0.45 0.00 0.00 0.00 175.76 175.63 1fpt s SER 25 N 1.20 2.41 0.00 0.00 0.15 0.65 -4.87 113.70 113.24 1fpt s SER 25 Ca 0.21 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1fpt s SER 25 Cb -0.15 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1fpt s SER 25 CO 0.09 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1fpt n GLY 26 N 0.43 3.24 3.68 9.45 0.00 -1.26 -0.65 105.19 120.09 1fpt n GLY 26 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1fpt n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fpt s TYR 27 N -2.81 1.90 -0.84 1.61 -0.85 -1.26 -4.78 117.35 110.32 1fpt s TYR 27 Ca 0.00 -1.02 -0.24 0.00 -0.52 0.00 0.00 57.07 55.29 1fpt s TYR 27 Cb 0.00 -1.51 0.05 0.00 0.38 0.00 0.00 41.96 40.89 1fpt s TYR 27 CO 0.00 0.11 1.27 0.00 -1.52 0.00 0.00 175.55 175.41 1fpt s ALA 28 N -2.96 2.86 0.14 9.51 0.00 -1.26 -4.89 121.76 125.16 1fpt s ALA 28 Ca 0.13 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.21 1fpt s ALA 28 Cb 0.03 -4.27 0.34 0.00 0.00 0.00 0.00 23.12 19.22 1fpt s ALA 28 CO 0.07 -3.29 0.68 0.34 0.00 0.00 0.00 175.76 173.56 1fpt n PHE 29 N 8.65 0.29 1.43 0.00 7.35 -1.26 -0.79 117.46 133.12 1fpt n PHE 29 Ca 0.14 0.52 0.14 0.00 -0.76 0.00 0.00 57.45 57.49 1fpt n PHE 29 Cb 0.49 -0.83 0.49 0.00 0.35 0.00 0.00 39.48 39.98 1fpt n PHE 29 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1fpt n THR 30 N -4.44 0.00 1.04 -2.13 -2.24 -1.26 -3.38 114.28 101.87 1fpt n THR 30 Ca 0.10 -0.20 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1fpt n THR 30 Cb 0.34 0.42 0.45 0.00 -2.10 0.00 0.00 70.33 69.45 1fpt n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1fpt n ASN 31 N -0.14 0.28 -4.01 3.42 4.13 0.03 -4.77 115.26 114.20 1fpt n ASN 31 Ca 0.17 0.05 -0.20 0.00 1.68 0.00 0.00 54.58 56.28 1fpt n ASN 31 Cb 0.34 -0.12 -0.15 0.00 -1.54 0.00 0.00 39.78 38.32 1fpt n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1fpt s TYR 32 N -2.95 0.92 0.13 3.10 1.51 -1.22 -1.12 117.35 117.73 1fpt s TYR 32 Ca 0.14 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.68 1fpt s TYR 32 Cb 0.18 -0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 41.32 1fpt s TYR 32 CO 0.60 -0.08 1.23 -0.51 -1.11 0.00 0.00 175.55 175.68 1fpt s LEU 33 N 0.08 4.41 -0.18 -1.29 1.43 0.32 -4.64 118.68 118.82 1fpt s LEU 33 Ca -0.01 2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 55.14 1fpt s LEU 33 Cb -0.07 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 1fpt s LEU 33 CO 0.00 -0.45 0.24 -0.63 0.23 0.00 0.00 176.35 175.75 1fpt s ILE 34 N 0.49 5.34 -0.09 -0.59 1.09 -0.79 -0.35 121.20 126.29 1fpt s ILE 34 Ca 0.57 0.43 0.03 0.00 -1.10 0.00 0.00 60.65 60.58 1fpt s ILE 34 Cb -0.32 -3.58 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1fpt s ILE 34 CO 0.33 0.40 -0.19 -1.10 -0.10 0.00 0.00 174.94 174.28 1fpt s GLN 35 N 0.50 2.94 -0.26 2.79 -1.52 0.20 -1.79 119.66 122.52 1fpt s GLN 35 Ca 0.14 -0.79 -0.09 0.00 -1.95 0.00 0.00 55.36 52.66 1fpt s GLN 35 Cb -0.12 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.24 1fpt s GLN 35 CO 0.02 0.32 0.13 -1.58 -0.25 0.00 0.00 175.29 173.92 1fpt s TRP 36 N 0.04 3.15 -0.07 0.91 0.52 -0.66 -0.93 118.94 121.90 1fpt s TRP 36 Ca -0.07 -0.16 0.01 0.00 0.02 0.00 0.00 56.10 55.89 1fpt s TRP 36 Cb -0.15 -2.30 -0.03 0.00 -1.15 0.00 0.00 33.47 29.84 1fpt s TRP 36 CO 0.05 -0.26 -0.07 0.42 0.02 0.00 0.00 176.95 177.11 1fpt s ILE 37 N 1.67 3.68 0.30 2.03 1.09 -1.16 -0.77 121.20 128.04 1fpt s ILE 37 Ca 0.07 -0.49 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 1fpt s ILE 37 Cb -0.15 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.72 1fpt s ILE 37 CO 0.07 0.60 0.45 -0.75 -0.10 0.00 0.00 174.94 175.20 1fpt s LYS 38 N -0.79 3.37 -0.24 2.79 2.20 -0.29 -1.07 119.74 125.70 1fpt s LYS 38 Ca 0.12 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 1fpt s LYS 38 Cb -0.11 -2.80 0.13 0.00 -1.51 0.00 0.00 37.83 33.54 1fpt s LYS 38 CO 0.01 0.25 0.42 -1.14 -0.36 0.00 0.00 175.35 174.54 1fpt s GLN 39 N -4.13 0.38 -0.13 4.03 0.74 -0.52 -1.37 119.66 118.65 1fpt s GLN 39 Ca 0.38 0.71 -0.13 0.00 0.05 0.00 0.00 55.36 56.38 1fpt s GLN 39 Cb -0.09 -0.16 -0.05 0.00 1.10 0.00 0.00 33.01 33.81 1fpt s GLN 39 CO 0.32 -0.56 0.28 0.50 -0.55 0.00 0.00 175.29 175.27 1fpt s ARG 40 N 2.61 4.09 0.23 1.67 3.52 -1.26 -1.13 118.95 128.69 1fpt s ARG 40 Ca 0.11 0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 55.75 1fpt s ARG 40 Cb -0.15 -3.36 0.23 0.00 -1.56 0.00 0.00 34.95 30.11 1fpt s ARG 40 CO -0.16 0.38 1.73 -1.00 -0.81 0.00 0.00 175.30 175.44 1fpt h PRO 41 N 6.15 0.93 -1.05 5.12 0.13 -1.94 0.41 132.00 141.76 1fpt h PRO 41 Ca -0.45 -0.25 -0.68 0.00 -0.87 0.00 0.00 66.00 63.75 1fpt h PRO 41 Cb 1.18 -0.11 -0.29 0.00 0.13 0.00 0.00 31.00 31.91 1fpt h PRO 41 CO 0.71 0.90 0.87 0.41 -0.23 0.00 0.00 178.00 180.66 1fpt n GLY 42 N -0.60 5.87 2.43 1.56 0.00 -1.26 -4.97 105.19 108.22 1fpt n GLY 42 Ca 0.03 -2.32 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 1fpt n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fpt n GLN 43 N -0.90 0.50 -0.49 1.61 0.00 0.14 -5.17 117.38 113.07 1fpt n GLN 43 Ca 0.62 -2.05 -0.28 0.00 -0.00 0.00 0.00 57.00 55.29 1fpt n GLN 43 Cb 0.64 1.96 0.26 0.00 0.00 0.00 0.00 30.24 33.10 1fpt n GLN 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1fpt s GLY 44 N -2.58 1.53 0.35 1.69 0.00 -1.26 -4.68 107.32 102.38 1fpt s GLY 44 Ca 0.21 -0.15 -0.10 0.00 0.00 0.00 0.00 44.72 44.69 1fpt s GLY 44 CO 0.15 0.60 0.69 1.08 0.00 0.00 0.00 173.10 175.62 1fpt s LEU 45 N -7.32 3.94 0.05 0.66 1.43 -1.26 -4.05 118.68 112.13 1fpt s LEU 45 Ca 0.69 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1fpt s LEU 45 Cb -0.26 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.06 1fpt s LEU 45 CO 0.65 -0.30 -0.04 -1.83 0.23 0.00 0.00 176.35 175.07 1fpt s GLU 46 N -3.58 0.53 0.29 1.70 -1.05 -0.47 -4.94 118.70 111.18 1fpt s GLU 46 Ca 0.49 -0.96 -0.22 0.00 -0.15 0.00 0.00 54.97 54.13 1fpt s GLU 46 Cb -0.10 0.04 -0.09 0.00 -0.44 0.00 0.00 34.13 33.53 1fpt s GLU 46 CO 0.28 -0.05 0.84 -0.46 0.95 0.00 0.00 175.26 176.82 1fpt s TRP 47 N -2.65 3.61 -0.03 4.83 -0.00 -1.26 -1.14 118.94 122.30 1fpt s TRP 47 Ca -0.03 1.56 -0.00 0.00 -0.00 0.00 0.00 56.10 57.63 1fpt s TRP 47 Cb -0.01 -2.76 -0.02 0.00 -0.00 0.00 0.00 33.47 30.68 1fpt s TRP 47 CO -0.05 0.22 -0.03 -0.89 -0.00 0.00 0.00 176.95 176.21 1fpt n ILE 48 N 0.43 0.16 -4.01 5.86 5.41 0.05 -4.69 119.36 122.58 1fpt n ILE 48 Ca 0.01 -0.05 0.03 0.00 1.00 0.00 0.00 62.75 63.73 1fpt n ILE 48 Cb 0.51 -0.89 0.01 0.00 -0.71 0.00 0.00 39.64 38.56 1fpt n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fpt n GLY 49 N 3.19 0.21 2.82 7.39 0.00 -1.16 -2.11 105.19 115.52 1fpt n GLY 49 Ca -0.05 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1fpt n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fpt s VAL 50 N -2.02 0.00 0.02 1.61 1.01 0.31 -1.65 120.40 119.68 1fpt s VAL 50 Ca 0.28 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1fpt s VAL 50 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1fpt s VAL 50 CO -0.01 0.07 -0.16 -0.51 0.00 0.00 0.00 175.10 174.49 1fpt s ILE 51 N 0.67 1.24 -0.37 2.22 2.07 -0.74 -0.73 121.20 125.55 1fpt s ILE 51 Ca -0.06 -0.93 -0.10 0.00 -1.41 0.00 0.00 60.65 58.16 1fpt s ILE 51 Cb -0.08 -1.08 0.04 0.00 0.13 0.00 0.00 42.46 41.46 1fpt s ILE 51 CO -0.02 0.14 0.20 0.21 -1.91 0.00 0.00 174.94 173.56 1fpt s ASN 52 N -0.90 5.65 0.13 4.50 3.84 -0.06 -1.88 114.94 126.21 1fpt s ASN 52 Ca 0.04 -1.10 -0.19 0.00 0.21 0.00 0.00 52.86 51.82 1fpt s ASN 52 Cb -0.07 -1.99 -0.03 0.00 -0.55 0.00 0.00 41.25 38.61 1fpt s ASN 52 CO 0.01 -0.40 1.74 1.55 -2.79 0.00 0.00 177.10 177.21 1fpt h PRO 52 N 8.39 0.15 -0.42 0.43 0.13 -1.87 -0.86 132.00 137.95 1fpt h PRO 52 Ca -0.25 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 1fpt h PRO 52 Cb 1.10 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1fpt h PRO 52 CO 0.67 0.10 0.28 0.78 -0.23 0.00 0.00 178.00 179.60 1fpt h GLY 53 N 0.16 0.48 -0.07 1.56 0.00 -1.89 -3.08 103.07 100.24 1fpt h GLY 53 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1fpt h GLY 53 CO -0.11 0.14 -0.67 -1.14 0.00 0.00 0.00 176.54 174.76 1fpt n SER 54 N -4.48 0.79 0.00 0.19 3.41 -1.16 -5.01 113.62 107.36 1fpt n SER 54 Ca 0.05 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1fpt n SER 54 Cb 0.17 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1fpt n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fpt n GLY 55 N 1.33 0.85 3.62 5.00 0.00 -0.34 -4.99 105.19 110.66 1fpt n GLY 55 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1fpt n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fpt s GLY 56 N -2.00 1.18 -0.15 -0.02 0.00 -1.21 -4.77 107.32 100.35 1fpt s GLY 56 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.99 1fpt s GLY 56 CO 0.00 2.93 -0.06 -0.51 0.00 0.00 0.00 173.10 175.46 1fpt s THR 57 N 5.28 3.69 0.05 0.90 -4.23 -1.26 -0.88 115.64 119.19 1fpt s THR 57 Ca 0.68 -0.43 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1fpt s THR 57 Cb -0.22 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 1fpt s THR 57 CO 0.29 0.50 -0.21 -0.62 -0.54 0.00 0.00 174.62 174.04 1fpt s ASP 58 N 0.33 2.54 0.11 3.99 -1.08 0.09 -4.96 116.67 117.69 1fpt s ASP 58 Ca -0.06 -0.54 0.03 0.00 -0.52 0.00 0.00 52.55 51.47 1fpt s ASP 58 Cb -0.15 -0.21 -0.04 0.00 -1.46 0.00 0.00 42.92 41.07 1fpt s ASP 58 CO 0.04 0.16 -0.09 -0.31 0.52 0.00 0.00 175.17 175.49 1fpt s TYR 59 N -0.82 1.04 0.45 -5.34 1.51 -1.26 -0.53 117.35 112.40 1fpt s TYR 59 Ca 0.08 -0.74 -0.25 0.00 -1.01 0.00 0.00 57.07 55.15 1fpt s TYR 59 Cb -0.09 -0.57 -0.08 0.00 -0.11 0.00 0.00 41.96 41.12 1fpt s TYR 59 CO 0.02 -0.03 1.30 1.21 -1.11 0.00 0.00 175.55 176.94 1fpt s ASN 60 N -2.74 6.05 0.52 2.29 3.84 -0.90 -4.85 114.94 119.15 1fpt s ASN 60 Ca 0.09 2.63 0.26 0.00 0.21 0.00 0.00 52.86 56.06 1fpt s ASN 60 Cb 0.00 -2.63 1.43 0.00 -0.55 0.00 0.00 41.25 39.50 1fpt s ASN 60 CO -0.01 -1.03 2.08 0.00 -2.79 0.00 0.00 177.10 175.35 1fpt h ALA 61 N 2.30 1.34 0.00 1.71 0.00 -1.95 -0.03 119.26 122.62 1fpt h ALA 61 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1fpt h ALA 61 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1fpt h ALA 61 CO 0.61 0.15 0.00 -0.91 0.00 0.00 0.00 179.25 179.10 1fpt h ASN 62 N 0.00 0.00 -0.00 0.00 2.35 -1.96 -3.06 115.58 112.91 1fpt h ASN 62 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fpt h ASN 62 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1fpt h ASN 62 CO 0.02 0.00 -0.08 0.49 -1.65 0.00 0.00 177.43 176.20 1fpt n PHE 63 N -2.73 0.00 -1.67 1.19 3.72 -0.12 -4.89 117.46 112.96 1fpt n PHE 63 Ca -0.00 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 1fpt n PHE 63 Cb 0.19 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1fpt n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1fpt n LYS 64 N -0.52 2.11 0.00 -1.08 5.02 -0.60 -0.77 118.16 122.32 1fpt n LYS 64 Ca 0.01 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1fpt n LYS 64 Cb 0.07 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 1fpt n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fpt n GLY 65 N 4.60 2.71 0.00 0.72 0.00 -1.26 -4.84 105.19 107.12 1fpt n GLY 65 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1fpt n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fpt n LYS 66 N -2.00 0.00 -1.82 1.61 4.81 0.05 -4.94 118.16 115.87 1fpt n LYS 66 Ca 0.00 0.25 -0.42 0.00 -0.87 0.00 0.00 58.31 57.27 1fpt n LYS 66 Cb 0.00 -0.74 -0.02 0.00 0.02 0.00 0.00 35.03 34.29 1fpt n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fpt s ALA 67 N -3.06 3.76 -0.12 3.14 0.00 -0.72 -4.56 121.76 120.19 1fpt s ALA 67 Ca 0.00 1.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.44 1fpt s ALA 67 Cb 0.00 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 19.54 1fpt s ALA 67 CO 0.00 -0.92 0.13 0.95 0.00 0.00 0.00 175.76 175.92 1fpt s THR 68 N 0.24 -0.19 0.05 0.00 -4.23 -0.83 -4.86 115.64 105.82 1fpt s THR 68 Ca 0.65 0.12 -0.24 0.00 -1.18 0.00 0.00 61.69 61.03 1fpt s THR 68 Cb -0.47 -0.43 -0.06 0.00 1.34 0.00 0.00 72.50 72.89 1fpt s THR 68 CO 0.44 -0.05 0.75 -0.76 -0.54 0.00 0.00 174.62 174.46 1fpt s LEU 69 N 2.23 4.46 -0.06 4.79 1.43 -1.26 -1.78 118.68 128.49 1fpt s LEU 69 Ca 0.04 1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 54.52 1fpt s LEU 69 Cb -0.14 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.89 1fpt s LEU 69 CO -0.07 0.04 0.15 -0.89 0.23 0.00 0.00 176.35 175.81 1fpt s THR 70 N -0.18 -0.00 0.06 5.49 2.01 -0.99 -4.94 115.64 117.09 1fpt s THR 70 Ca 0.37 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.45 1fpt s THR 70 Cb -0.20 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 1fpt s THR 70 CO 0.23 0.01 -0.17 0.00 -0.69 0.00 0.00 174.62 174.00 1fpt s ALA 71 N 0.20 1.41 -0.44 7.40 0.00 -1.26 -0.47 121.76 128.60 1fpt s ALA 71 Ca -0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 1fpt s ALA 71 Cb -0.02 -0.21 0.07 0.00 0.00 0.00 0.00 23.12 22.96 1fpt s ALA 71 CO -0.01 0.27 0.32 0.34 0.00 0.00 0.00 175.76 176.68 1fpt s ASP 72 N -1.39 5.86 0.28 0.00 2.15 0.11 -4.93 116.67 118.75 1fpt s ASP 72 Ca 0.03 -1.41 -0.01 0.00 0.43 0.00 0.00 52.55 51.60 1fpt s ASP 72 Cb -0.09 -2.07 0.41 0.00 -0.30 0.00 0.00 42.92 40.87 1fpt s ASP 72 CO 0.02 -0.58 1.81 0.11 -0.17 0.00 0.00 175.17 176.36 1fpt h LYS 73 N 8.56 0.76 -0.04 4.34 1.57 -1.90 0.62 116.57 130.49 1fpt h LYS 73 Ca -0.25 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1fpt h LYS 73 Cb 1.10 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1fpt h LYS 73 CO 0.81 0.73 0.05 1.03 -0.57 0.00 0.00 179.45 181.50 1fpt h SER 74 N 0.73 0.00 -0.10 0.86 0.87 -1.96 -3.22 113.55 110.74 1fpt h SER 74 Ca 0.15 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.47 1fpt h SER 74 Cb 0.36 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.15 1fpt h SER 74 CO 0.01 0.00 -0.44 -1.54 -0.53 0.00 0.00 176.83 174.32 1fpt n SER 75 N -3.78 -1.84 -2.79 6.23 3.41 -1.09 -5.07 113.62 108.69 1fpt n SER 75 Ca -0.02 -2.93 -0.03 0.00 -0.26 0.00 0.00 58.87 55.63 1fpt n SER 75 Cb 0.14 1.23 -0.01 0.00 -0.26 0.00 0.00 64.21 65.32 1fpt n SER 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fpt n SER 76 N -0.21 0.03 -4.43 4.04 3.41 0.19 -4.91 113.62 111.74 1fpt n SER 76 Ca 0.01 -0.12 -0.31 0.00 -0.26 0.00 0.00 58.87 58.20 1fpt n SER 76 Cb 0.79 -0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.46 1fpt n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1fpt s ILE 77 N -3.33 2.66 0.02 -1.33 1.01 -1.09 -1.79 121.20 117.35 1fpt s ILE 77 Ca 0.01 -1.20 0.06 0.00 0.00 0.00 0.00 60.65 59.51 1fpt s ILE 77 Cb -0.00 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1fpt s ILE 77 CO 0.09 0.36 -0.14 -0.69 0.00 0.00 0.00 174.94 174.57 1fpt s VAL 78 N -0.88 3.10 0.18 2.92 1.01 -0.01 0.08 120.40 126.79 1fpt s VAL 78 Ca 0.14 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1fpt s VAL 78 Cb -0.10 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1fpt s VAL 78 CO 0.04 0.38 -0.19 -0.31 0.00 0.00 0.00 175.10 175.02 1fpt s TYR 79 N -0.93 1.91 -0.10 5.22 1.51 0.39 -0.23 117.35 125.11 1fpt s TYR 79 Ca 0.15 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1fpt s TYR 79 Cb -0.11 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.83 1fpt s TYR 79 CO 0.06 0.38 -0.12 1.41 -1.11 0.00 0.00 175.55 176.16 1fpt s MET 80 N -2.90 1.92 -0.44 -0.62 1.75 -0.26 -2.35 119.30 116.40 1fpt s MET 80 Ca 0.18 -0.45 -0.14 0.00 -1.25 0.00 0.00 55.69 54.03 1fpt s MET 80 Cb -0.06 -1.71 0.05 0.00 2.84 0.00 0.00 34.83 35.95 1fpt s MET 80 CO 0.08 -0.11 0.33 -1.14 -0.65 0.00 0.00 175.02 173.53 1fpt s GLN 81 N 1.14 2.93 0.40 4.11 0.74 -0.73 -0.03 119.66 128.21 1fpt s GLN 81 Ca -0.05 -1.22 -0.04 0.00 0.05 0.00 0.00 55.36 54.11 1fpt s GLN 81 Cb -0.14 -4.01 0.09 0.00 1.10 0.00 0.00 33.01 30.04 1fpt s GLN 81 CO -0.03 -0.89 0.55 1.28 -0.55 0.00 0.00 175.29 175.65 1fpt n LEU 82 N 5.14 0.00 -0.26 3.68 4.77 0.10 -1.97 117.00 128.47 1fpt n LEU 82 Ca -0.12 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1fpt n LEU 82 Cb 0.45 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1fpt n LEU 82 CO 0.43 -0.84 0.00 -1.20 -1.33 0.00 0.00 177.39 174.46 1fpt n SER 82 N -3.17 0.00 -4.76 -1.43 7.64 -1.24 -2.06 113.62 108.60 1fpt n SER 82 Ca 0.08 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.61 1fpt n SER 82 Cb 0.28 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 1fpt n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fpt s LEU 82 N -0.20 3.58 0.11 -3.43 1.02 -0.46 -4.71 118.68 114.59 1fpt s LEU 82 Ca 0.00 2.28 -0.19 0.00 0.02 0.00 0.00 54.13 56.24 1fpt s LEU 82 Cb 0.00 -4.59 0.04 0.00 0.02 0.00 0.00 46.19 41.67 1fpt s LEU 82 CO 0.00 -1.62 0.46 0.28 0.02 0.00 0.00 176.35 175.49 1fpt s THR 83 N -1.81 0.05 0.19 5.49 -1.32 -1.26 -0.71 115.64 116.27 1fpt s THR 83 Ca 0.74 -0.39 0.13 0.00 -1.21 0.00 0.00 61.69 60.96 1fpt s THR 83 Cb -0.27 -1.08 0.21 0.00 -1.51 0.00 0.00 72.50 69.85 1fpt s THR 83 CO 0.35 -0.22 0.74 -0.24 -2.21 0.00 0.00 174.62 173.04 1fpt n SER 84 N -0.05 0.13 0.24 8.08 2.88 -1.26 -0.18 113.62 123.45 1fpt n SER 84 Ca -0.17 0.71 0.11 0.00 -1.33 0.00 0.00 58.87 58.19 1fpt n SER 84 Cb 0.63 -0.35 0.59 0.00 -0.75 0.00 0.00 64.21 64.33 1fpt n SER 84 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1fpt h ASP 85 N 0.00 0.00 0.39 -3.46 3.32 -1.96 -3.05 116.42 111.66 1fpt h ASP 85 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1fpt h ASP 85 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1fpt h ASP 85 CO -0.28 0.18 0.00 0.47 -1.72 0.00 0.00 179.24 177.89 1fpt n ASP 86 N -3.52 0.00 -4.61 6.45 8.00 0.74 -4.74 116.55 118.87 1fpt n ASP 86 Ca -0.01 -0.34 -0.43 0.00 0.71 0.00 0.00 54.79 54.72 1fpt n ASP 86 Cb 0.34 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1fpt n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1fpt s SER 87 N -2.42 6.13 0.07 -2.24 0.01 -1.15 -4.81 113.70 109.29 1fpt s SER 87 Ca 0.32 1.32 -0.04 0.00 1.31 0.00 0.00 55.95 58.85 1fpt s SER 87 Cb 0.20 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.91 1fpt s SER 87 CO 0.41 -1.52 0.21 0.00 0.41 0.00 0.00 173.24 172.76 1fpt n ALA 88 N 9.43 -0.52 -2.82 1.44 0.00 -1.16 -4.84 120.51 122.03 1fpt n ALA 88 Ca 0.20 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 1fpt n ALA 88 Cb 0.46 0.19 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 1fpt n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fpt s VAL 89 N -2.64 4.76 -0.20 0.00 1.01 -0.28 -1.32 120.40 121.74 1fpt s VAL 89 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1fpt s VAL 89 Cb -0.01 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1fpt s VAL 89 CO 0.02 0.46 -0.15 -0.31 0.00 0.00 0.00 175.10 175.12 1fpt s TYR 90 N 0.34 2.85 0.48 5.22 1.51 -0.75 -1.43 117.35 125.58 1fpt s TYR 90 Ca 0.03 -1.50 0.04 0.00 -1.01 0.00 0.00 57.07 54.63 1fpt s TYR 90 Cb -0.12 -1.97 0.09 0.00 -0.11 0.00 0.00 41.96 39.84 1fpt s TYR 90 CO 0.00 -0.75 0.67 1.19 -1.11 0.00 0.00 175.55 175.55 1fpt n PHE 91 N 4.66 -2.71 -3.77 2.71 3.72 -0.23 -1.20 117.46 120.64 1fpt n PHE 91 Ca -0.20 -1.48 -0.12 0.00 -0.05 0.00 0.00 57.45 55.60 1fpt n PHE 91 Cb 0.50 -0.47 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1fpt n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fpt s ALA 93 N -2.46 -0.13 -0.07 0.00 0.00 -0.11 -1.60 121.76 117.40 1fpt s ALA 93 Ca -0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1fpt s ALA 93 Cb -0.01 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 1fpt s ALA 93 CO -0.03 -0.49 0.31 -0.98 0.00 0.00 0.00 175.76 174.57 1fpt s ARG 94 N -3.87 3.84 -0.16 0.00 1.70 -1.10 -0.62 118.95 118.73 1fpt s ARG 94 Ca 0.05 0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.51 1fpt s ARG 94 Cb 0.05 -3.25 0.02 0.00 -0.57 0.00 0.00 34.95 31.20 1fpt s ARG 94 CO -0.11 0.63 -0.17 0.34 -1.08 0.00 0.00 175.30 174.91 1fpt s ASP 95 N -0.76 2.91 0.47 -2.89 2.15 0.52 -2.24 116.67 116.82 1fpt s ASP 95 Ca 0.20 -0.57 -0.25 0.00 0.43 0.00 0.00 52.55 52.37 1fpt s ASP 95 Cb -0.15 -1.33 -0.08 0.00 -0.30 0.00 0.00 42.92 41.07 1fpt s ASP 95 CO 0.09 -0.02 1.42 0.12 -0.17 0.00 0.00 175.17 176.61 1fpt s PHE 96 N 1.32 2.41 -0.11 -5.34 5.36 -1.26 0.12 117.98 120.48 1fpt s PHE 96 Ca 0.04 1.27 -0.04 0.00 -0.96 0.00 0.00 56.93 57.24 1fpt s PHE 96 Cb -0.13 -3.91 -0.03 0.00 -0.34 0.00 0.00 43.02 38.60 1fpt s PHE 96 CO -0.11 -2.97 0.07 -0.92 -1.46 0.00 0.00 175.22 169.82 1fpt h TYR 97 N 2.16 0.00 0.00 10.12 3.20 -1.46 -3.36 116.97 127.63 1fpt h TYR 97 Ca -0.51 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1fpt h TYR 97 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1fpt h TYR 97 CO 0.49 0.12 0.09 -0.44 -1.64 0.00 0.00 178.16 176.78 1fpt h ASP 98 N -1.00 0.00 -2.09 -2.11 3.32 -1.94 -3.41 116.42 109.19 1fpt h ASP 98 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1fpt h ASP 98 Cb 0.17 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.48 1fpt h ASP 98 CO -0.00 0.00 -0.29 -0.31 -1.72 0.00 0.00 179.24 176.91 1fpt s TYR 99 N -3.76 -1.08 -0.02 4.55 2.02 -1.26 -5.12 117.35 112.69 1fpt s TYR 99 Ca -0.03 1.73 -0.30 0.00 -0.37 0.00 0.00 57.07 58.10 1fpt s TYR 99 Cb 0.08 0.47 -0.07 0.00 -0.40 0.00 0.00 41.96 42.04 1fpt s TYR 99 CO 0.26 -0.62 1.75 0.34 -1.57 0.00 0.00 175.55 175.70 1fpt s ASP 100 N 2.73 6.60 -0.10 2.29 -1.08 -1.26 -4.33 116.67 121.52 1fpt s ASP 100 Ca 0.01 2.38 0.23 0.00 -0.52 0.00 0.00 52.55 54.65 1fpt s ASP 100 Cb -0.13 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.22 1fpt s ASP 100 CO -0.16 -0.96 1.15 1.33 0.52 0.00 0.00 175.17 177.05 1fpt n VAL 100 N 5.45 0.40 0.00 1.11 0.24 -1.26 -5.05 118.33 119.22 1fpt n VAL 100 Ca 0.18 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1fpt n VAL 100 Cb 0.42 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1fpt n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fpt n GLY 100 N 0.03 1.41 3.43 7.63 0.00 -1.26 -4.71 105.19 111.72 1fpt n GLY 100 Ca 0.03 -2.08 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 1fpt n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fpt s PHE 100 N -1.75 3.51 0.00 1.61 0.08 -1.26 -4.55 117.98 115.61 1fpt s PHE 100 Ca 0.00 -1.98 0.00 0.00 0.12 0.00 0.00 56.93 55.07 1fpt s PHE 100 Cb 0.00 -4.20 0.00 0.00 -0.57 0.00 0.00 43.02 38.25 1fpt s PHE 100 CO 0.00 -1.33 0.03 -3.47 -0.10 0.00 0.00 175.22 170.35 1fpt n ASP 101 N 5.38 0.00 -3.83 1.36 -0.08 -0.95 -4.68 116.55 113.76 1fpt n ASP 101 Ca 0.29 0.03 -0.24 0.00 -1.51 0.00 0.00 54.79 53.37 1fpt n ASP 101 Cb 0.45 -0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.73 1fpt n ASP 101 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1fpt s TYR 102 N -1.08 0.92 0.16 -0.67 1.51 -1.26 -5.00 117.35 111.93 1fpt s TYR 102 Ca 0.00 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1fpt s TYR 102 Cb 0.00 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1fpt s TYR 102 CO 0.00 -0.36 0.34 -1.58 -1.11 0.00 0.00 175.55 172.85 1fpt s TRP 103 N 1.72 3.49 0.00 2.71 0.52 -1.26 -2.73 118.94 123.38 1fpt s TRP 103 Ca 0.02 0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.50 1fpt s TRP 103 Cb -0.13 -1.86 0.00 0.00 -1.15 0.00 0.00 33.47 30.33 1fpt s TRP 103 CO -0.05 0.44 0.00 0.41 0.02 0.00 0.00 176.95 177.77 1fpt n GLY 104 N -0.28 -2.05 0.15 0.98 0.00 -0.63 -4.71 105.19 98.65 1fpt n GLY 104 Ca -0.04 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.63 1fpt n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1fpt h GLN 105 N 0.00 0.00 -0.04 1.61 7.50 -1.92 -3.46 115.11 118.80 1fpt h GLN 105 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1fpt h GLN 105 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1fpt h GLN 105 CO 0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 1fpt n GLY 106 N 1.17 1.12 3.68 3.46 0.00 -1.26 -5.00 105.19 108.35 1fpt n GLY 106 Ca 0.02 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1fpt n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fpt s THR 107 N -0.03 5.02 -0.29 2.61 2.01 -0.34 -4.80 115.64 119.81 1fpt s THR 107 Ca 0.00 1.29 -0.21 0.00 0.31 0.00 0.00 61.69 63.08 1fpt s THR 107 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1fpt s THR 107 CO 0.00 0.16 0.65 -0.89 -0.69 0.00 0.00 174.62 173.85 1fpt s THR 108 N 1.54 4.93 -0.30 -0.82 2.01 -1.24 -1.80 115.64 119.95 1fpt s THR 108 Ca 0.32 0.96 -0.04 0.00 0.31 0.00 0.00 61.69 63.25 1fpt s THR 108 Cb -0.16 -4.01 0.04 0.00 0.01 0.00 0.00 72.50 68.38 1fpt s THR 108 CO 0.13 -0.12 0.02 -0.22 -0.69 0.00 0.00 174.62 173.74 1fpt s LEU 109 N 2.63 3.87 -0.59 4.42 0.20 -0.44 -2.64 118.68 126.14 1fpt s LEU 109 Ca 0.26 -1.09 -0.15 0.00 0.69 0.00 0.00 54.13 53.84 1fpt s LEU 109 Cb -0.15 -1.76 0.15 0.00 -0.43 0.00 0.00 46.19 43.99 1fpt s LEU 109 CO 0.11 -0.24 0.53 -0.89 -0.29 0.00 0.00 176.35 175.57 1fpt s THR 110 N 1.33 5.17 -0.35 3.68 2.01 -0.40 -3.00 115.64 124.08 1fpt s THR 110 Ca -0.02 -1.72 -0.29 0.00 0.31 0.00 0.00 61.69 59.97 1fpt s THR 110 Cb -0.19 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.04 1fpt s THR 110 CO -0.00 -0.89 1.09 -0.69 -0.69 0.00 0.00 174.62 173.43 1fpt s VAL 111 N 1.30 4.45 -0.20 3.82 1.01 -1.26 -2.54 120.40 126.97 1fpt s VAL 111 Ca 0.06 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1fpt s VAL 111 Cb -0.26 -4.45 0.14 0.00 0.00 0.00 0.00 36.38 31.81 1fpt s VAL 111 CO 0.00 -0.58 1.07 -0.55 0.00 0.00 0.00 175.10 175.04 1fpt s SER 112 N 1.81 -0.33 0.53 3.32 0.15 0.17 -4.67 113.70 114.68 1fpt s SER 112 Ca 0.46 0.42 0.32 0.00 0.70 0.00 0.00 55.95 57.85 1fpt s SER 112 Cb -0.11 0.35 1.26 0.00 -1.71 0.00 0.00 66.02 65.81 1fpt s SER 112 CO 0.18 -0.26 1.94 0.77 1.20 0.00 0.00 173.24 177.08 1fpt h SER 113 N 2.79 0.00 -3.28 5.45 4.64 -1.93 -3.34 113.55 117.87 1fpt h SER 113 Ca -0.19 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.69 1fpt h SER 113 Cb 1.17 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 63.47 1fpt h SER 113 CO 0.26 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 176.23 1fpt s ALA 114 N -3.61 -0.48 -0.12 5.18 0.00 -1.26 -5.06 121.76 116.41 1fpt s ALA 114 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 1fpt s ALA 114 Cb 0.09 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1fpt s ALA 114 CO 0.55 -3.87 0.11 0.21 0.00 0.00 0.00 175.76 172.76 1fpt s LYS 115 N -4.45 3.44 0.45 0.00 2.20 -1.26 -5.01 119.74 115.10 1fpt s LYS 115 Ca 0.68 -0.20 -0.23 0.00 -0.36 0.00 0.00 55.97 55.86 1fpt s LYS 115 Cb -0.25 -3.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 1fpt s LYS 115 CO 0.65 0.70 1.17 0.95 -0.36 0.00 0.00 175.35 178.46 1fpt s THR 116 N -0.82 3.09 -0.06 3.43 -4.23 -1.26 -4.84 115.64 110.95 1fpt s THR 116 Ca 0.13 0.84 0.01 0.00 -1.18 0.00 0.00 61.69 61.50 1fpt s THR 116 Cb -0.12 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.31 1fpt s THR 116 CO 0.03 0.01 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.17 1fpt s THR 117 N -1.51 0.71 0.32 3.99 2.01 -0.61 -4.98 115.64 115.57 1fpt s THR 117 Ca 0.62 -0.21 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 1fpt s THR 117 Cb -0.29 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.40 1fpt s THR 117 CO 0.36 0.27 0.91 0.00 -0.69 0.00 0.00 174.62 175.47 1fpt s ALA 118 N 0.99 3.22 0.21 7.40 0.00 -1.26 -2.19 121.76 130.13 1fpt s ALA 118 Ca -0.10 0.45 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 1fpt s ALA 118 Cb -0.14 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1fpt s ALA 118 CO -0.00 0.19 0.83 -1.25 0.00 0.00 0.00 175.76 175.53 1fpt s PRO 119 N -2.19 4.61 -0.44 0.00 0.04 -1.26 -4.77 135.00 130.98 1fpt s PRO 119 Ca 0.51 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1fpt s PRO 119 Cb -0.17 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.25 1fpt s PRO 119 CO 0.22 0.51 0.35 -1.54 0.04 0.00 0.00 177.00 176.57 1fpt s SER 120 N -1.27 6.10 0.22 6.66 1.04 -0.94 -4.95 113.70 120.56 1fpt s SER 120 Ca 0.39 -1.17 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 1fpt s SER 120 Cb -0.23 -2.16 -0.09 0.00 0.10 0.00 0.00 66.02 63.65 1fpt s SER 120 CO 0.27 -0.56 1.22 -0.69 0.98 0.00 0.00 173.24 174.45 1fpt s VAL 121 N 1.64 3.38 0.13 5.02 1.01 -1.26 -3.48 120.40 126.84 1fpt s VAL 121 Ca 0.04 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.33 1fpt s VAL 121 Cb -0.22 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1fpt s VAL 121 CO 0.08 0.22 -0.23 -0.31 0.00 0.00 0.00 175.10 174.86 1fpt s TYR 122 N -0.32 2.01 0.02 5.22 2.02 -0.68 -5.03 117.35 120.59 1fpt s TYR 122 Ca 0.52 -0.41 -0.22 0.00 -0.37 0.00 0.00 57.07 56.60 1fpt s TYR 122 Cb -0.34 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1fpt s TYR 122 CO 0.39 0.29 0.64 -1.25 -1.57 0.00 0.00 175.55 174.05 1fpt s PRO 123 N -2.12 4.36 -0.38 -1.71 0.04 -1.26 -2.74 135.00 131.19 1fpt s PRO 123 Ca 0.11 0.83 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 1fpt s PRO 123 Cb -0.09 -3.34 0.06 0.00 0.04 0.00 0.00 34.50 31.17 1fpt s PRO 123 CO 0.06 0.37 0.19 -0.51 0.04 0.00 0.00 177.00 177.14 1fpt s LEU 124 N -0.23 4.78 -0.10 -3.56 1.43 0.35 -4.91 118.68 116.44 1fpt s LEU 124 Ca 0.33 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1fpt s LEU 124 Cb -0.19 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1fpt s LEU 124 CO 0.19 -0.44 -0.05 0.00 0.23 0.00 0.00 176.35 176.28 1fpt s ALA 125 N 1.41 3.03 0.55 4.21 0.00 -1.26 -0.34 121.76 129.35 1fpt s ALA 125 Ca 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 1fpt s ALA 125 Cb -0.21 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1fpt s ALA 125 CO 0.02 0.47 1.35 -0.35 0.00 0.00 0.00 175.76 177.26 1fpt n PRO 126 N 2.59 1.68 -1.33 0.00 -0.04 -1.26 -4.91 135.00 131.73 1fpt n PRO 126 Ca -0.18 0.62 -0.31 0.00 -0.04 0.00 0.00 63.50 63.59 1fpt n PRO 126 Cb 0.53 -2.57 0.10 0.00 -0.04 0.00 0.00 33.50 31.52 1fpt n PRO 126 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fpt s VAL 127 N -1.29 3.22 0.00 0.52 1.01 -1.26 -4.64 120.40 117.96 1fpt s VAL 127 Ca 0.72 0.40 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1fpt s VAL 127 Cb -0.42 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1fpt s VAL 127 CO 0.49 -0.52 0.58 0.00 0.00 0.00 0.00 175.10 175.66 1fpt n GLY 129 N -0.98 2.62 0.00 0.00 0.00 -1.26 -4.77 105.19 100.79 1fpt n GLY 129 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1fpt n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fpt n ASP 130 N 3.52 0.00 -3.66 1.61 8.00 -1.26 -5.00 116.55 119.76 1fpt n ASP 130 Ca 0.34 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.61 1fpt n ASP 130 Cb 0.30 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1fpt n ASP 130 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1fpt n THR 133 N 0.00 -5.32 0.00 -3.53 -1.04 -1.26 -4.88 114.28 98.25 1fpt n THR 133 Ca 0.00 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1fpt n THR 133 Cb 0.00 -4.19 0.00 0.00 -1.82 0.00 0.00 70.33 64.32 1fpt n THR 133 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1fpt n THR 134 N -4.13 0.00 0.00 12.58 5.66 -1.26 -4.84 114.28 122.29 1fpt n THR 134 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1fpt n THR 134 Cb 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1fpt n THR 134 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fpt n GLY 135 N 0.00 0.03 0.00 1.09 0.00 -1.26 -4.30 105.19 100.75 1fpt n GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fpt n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fpt n SER 136 N 0.07 0.00 -4.70 1.61 7.64 -1.26 -5.15 113.62 111.83 1fpt n SER 136 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 1fpt n SER 136 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 1fpt n SER 136 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1fpt s SER 137 N 1.04 4.36 -0.08 6.43 1.04 -1.26 -3.39 113.70 121.84 1fpt s SER 137 Ca 0.00 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1fpt s SER 137 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1fpt s SER 137 CO 0.00 -1.86 -0.20 -0.69 0.98 0.00 0.00 173.24 171.47 1fpt s VAL 138 N -3.11 1.72 0.13 5.02 1.01 0.15 -4.33 120.40 121.00 1fpt s VAL 138 Ca 0.66 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1fpt s VAL 138 Cb -0.05 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1fpt s VAL 138 CO 0.44 0.49 0.33 0.42 0.00 0.00 0.00 175.10 176.78 1fpt s THR 139 N 0.31 5.23 0.05 3.92 -4.23 -1.26 0.13 115.64 119.81 1fpt s THR 139 Ca -0.14 -0.16 -0.24 0.00 -1.18 0.00 0.00 61.69 59.97 1fpt s THR 139 Cb -0.16 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 70.12 1fpt s THR 139 CO 0.06 0.03 1.12 0.00 -0.54 0.00 0.00 174.62 175.29 1fpt n LEU 140 N 0.01 0.00 0.00 4.79 -0.00 -0.40 -4.48 117.00 116.91 1fpt n LEU 140 Ca -0.03 -0.76 0.00 0.00 -0.00 0.00 0.00 56.01 55.22 1fpt n LEU 140 Cb 0.52 2.10 0.00 0.00 -0.00 0.00 0.00 43.42 46.04 1fpt n LEU 140 CO 0.50 -0.25 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 1fpt n GLY 141 N -0.80 1.58 2.80 1.47 0.00 0.54 -1.74 105.19 109.03 1fpt n GLY 141 Ca 0.02 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1fpt n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fpt s LEU 143 N 1.66 4.51 -0.60 0.00 2.96 -1.11 -0.93 118.68 125.17 1fpt s LEU 143 Ca 0.00 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 52.91 1fpt s LEU 143 Cb -0.13 -2.00 0.15 0.00 0.50 0.00 0.00 46.19 44.72 1fpt s LEU 143 CO -0.04 -0.33 0.49 -0.69 -1.32 0.00 0.00 176.35 174.47 1fpt s VAL 144 N 1.55 4.65 0.37 1.68 1.01 0.19 -1.68 120.40 128.17 1fpt s VAL 144 Ca 0.02 -2.11 0.07 0.00 0.00 0.00 0.00 61.98 59.97 1fpt s VAL 144 Cb -0.19 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1fpt s VAL 144 CO 0.06 -0.87 0.48 -0.75 0.00 0.00 0.00 175.10 174.01 1fpt s LYS 145 N 0.87 2.91 -1.30 2.72 2.20 -1.23 0.15 119.74 126.06 1fpt s LYS 145 Ca 0.10 -1.18 -0.05 0.00 -0.36 0.00 0.00 55.97 54.48 1fpt s LYS 145 Cb -0.22 -2.71 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1fpt s LYS 145 CO -0.03 -0.08 1.09 0.41 -0.36 0.00 0.00 175.35 176.39 1fpt n GLY 146 N -1.68 -0.46 3.23 5.54 0.00 -1.12 -2.22 105.19 108.48 1fpt n GLY 146 Ca 0.03 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1fpt n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fpt s TYR 147 N -3.34 1.31 -0.08 1.61 1.13 -0.77 -4.45 117.35 112.76 1fpt s TYR 147 Ca 0.33 -0.61 -0.06 0.00 -1.41 0.00 0.00 57.07 55.32 1fpt s TYR 147 Cb -0.15 -0.68 0.03 0.00 -1.10 0.00 0.00 41.96 40.06 1fpt s TYR 147 CO 0.73 0.11 0.20 0.12 -2.51 0.00 0.00 175.55 174.20 1fpt s PHE 148 N -2.43 -0.23 0.38 -3.49 5.36 -0.93 0.56 117.98 117.20 1fpt s PHE 148 Ca 0.10 0.57 0.02 0.00 -0.96 0.00 0.00 56.93 56.65 1fpt s PHE 148 Cb -0.03 0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.68 1fpt s PHE 148 CO 0.02 -0.13 0.57 -1.25 -1.46 0.00 0.00 175.22 172.96 1fpt s PRO 149 N 0.44 3.23 0.49 10.12 0.04 -1.26 -1.57 135.00 146.49 1fpt s PRO 149 Ca -0.03 -0.57 -0.24 0.00 0.04 0.00 0.00 61.00 60.20 1fpt s PRO 149 Cb -0.04 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 1fpt s PRO 149 CO -0.02 -0.02 1.35 -1.21 0.04 0.00 0.00 177.00 177.14 1fpt s GLU 150 N -4.36 3.49 0.32 4.56 0.41 -1.26 -4.64 118.70 117.22 1fpt s GLU 150 Ca 0.44 2.24 -0.13 0.00 -0.41 0.00 0.00 54.97 57.11 1fpt s GLU 150 Cb -0.10 -2.47 -0.08 0.00 -1.78 0.00 0.00 34.13 29.70 1fpt s GLU 150 CO 0.35 -0.91 0.70 -1.25 -0.49 0.00 0.00 175.26 173.66 1fpt s PRO 151 N -2.65 3.91 0.12 0.39 0.04 -1.26 -4.88 135.00 130.67 1fpt s PRO 151 Ca 0.65 0.53 0.07 0.00 0.04 0.00 0.00 61.00 62.29 1fpt s PRO 151 Cb -0.40 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1fpt s PRO 151 CO 0.49 0.16 -0.16 0.08 0.04 0.00 0.00 177.00 177.60 1fpt s VAL 152 N -2.02 1.49 -0.12 -0.36 1.01 -1.26 -3.94 120.40 115.20 1fpt s VAL 152 Ca 0.52 -1.69 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 1fpt s VAL 152 Cb -0.10 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1fpt s VAL 152 CO 0.21 -0.30 -0.08 0.42 0.00 0.00 0.00 175.10 175.34 1fpt s THR 153 N -1.84 1.10 0.07 3.92 -4.23 0.16 -4.94 115.64 109.88 1fpt s THR 153 Ca 0.09 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 1fpt s THR 153 Cb -0.07 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1fpt s THR 153 CO 0.04 0.37 0.04 -0.22 -0.54 0.00 0.00 174.62 174.31 1fpt s LEU 154 N 1.68 3.66 -0.11 4.79 0.20 -1.26 -1.00 118.68 126.64 1fpt s LEU 154 Ca 0.05 -0.06 -0.14 0.00 0.69 0.00 0.00 54.13 54.67 1fpt s LEU 154 Cb -0.13 -2.33 0.04 0.00 -0.43 0.00 0.00 46.19 43.34 1fpt s LEU 154 CO -0.09 0.19 0.38 -0.89 -0.29 0.00 0.00 176.35 175.65 1fpt s THR 156 N -1.32 0.01 -0.18 3.68 2.01 0.01 -4.99 115.64 114.87 1fpt s THR 156 Ca 0.27 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 1fpt s THR 156 Cb -0.12 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1fpt s THR 156 CO 0.19 -0.06 -0.13 0.26 -0.69 0.00 0.00 174.62 174.19 1fpt s TRP 157 N -0.18 2.84 -1.48 4.92 0.52 -1.26 -0.25 118.94 124.05 1fpt s TRP 157 Ca -0.03 -1.19 -0.04 0.00 0.02 0.00 0.00 56.10 54.85 1fpt s TRP 157 Cb -0.03 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1fpt s TRP 157 CO 0.02 -0.60 0.49 0.09 0.02 0.00 0.00 176.95 176.96 1fpt n ASN 162 N 4.46 -0.97 -1.81 2.95 3.02 -0.43 -0.88 115.26 121.60 1fpt n ASN 162 Ca -0.19 -1.01 -0.20 0.00 -0.03 0.00 0.00 54.58 53.14 1fpt n ASN 162 Cb 0.51 -2.95 -0.06 0.00 -0.61 0.00 0.00 39.78 36.67 1fpt n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1fpt n SER 163 N -2.91 -5.57 0.00 6.41 7.64 -1.26 -0.01 113.62 117.92 1fpt n SER 163 Ca -0.23 0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1fpt n SER 163 Cb 0.64 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1fpt n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fpt n GLY 164 N -0.65 3.10 0.37 0.23 0.00 -0.69 -4.94 105.19 102.62 1fpt n GLY 164 Ca -0.22 -1.04 0.02 0.00 0.00 0.00 0.00 46.02 44.79 1fpt n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fpt h SER 165 N 1.12 1.04 -1.00 1.61 4.64 -0.48 -2.83 113.55 117.65 1fpt h SER 165 Ca 0.00 -0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1fpt h SER 165 Cb 0.00 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 61.77 1fpt h SER 165 CO 0.00 0.69 1.66 -0.22 -0.87 0.00 0.00 176.83 178.09 1fpt s LEU 166 N -10.11 3.57 -0.13 5.97 1.98 -0.06 -4.63 118.68 115.28 1fpt s LEU 166 Ca -0.12 -1.71 0.02 0.00 -2.89 0.00 0.00 54.13 49.43 1fpt s LEU 166 Cb 0.19 -2.57 -0.10 0.00 0.66 0.00 0.00 46.19 44.37 1fpt s LEU 166 CO 0.81 -1.51 -0.09 -0.24 -1.89 0.00 0.00 176.35 173.43 1fpt n SER 167 N 9.12 2.83 -4.80 3.68 2.88 -1.07 -4.26 113.62 122.00 1fpt n SER 167 Ca 0.38 -0.06 -0.31 0.00 -1.33 0.00 0.00 58.87 57.55 1fpt n SER 167 Cb 0.49 -0.05 0.07 0.00 -0.75 0.00 0.00 64.21 63.97 1fpt n SER 167 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1fpt s SER 168 N -5.16 4.93 0.00 -3.46 0.15 -1.26 -4.22 113.70 104.67 1fpt s SER 168 Ca -0.16 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1fpt s SER 168 Cb 0.04 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1fpt s SER 168 CO 0.34 -1.73 0.00 0.61 1.20 0.00 0.00 173.24 173.66 1fpt n GLY 169 N -1.83 3.05 3.68 9.45 0.00 -1.26 -4.93 105.19 113.35 1fpt n GLY 169 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1fpt n GLY 169 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fpt s VAL 171 N -1.79 2.27 -0.35 1.61 -7.23 -1.26 -3.29 120.40 110.35 1fpt s VAL 171 Ca 0.00 0.09 0.05 0.00 -1.81 0.00 0.00 61.98 60.31 1fpt s VAL 171 Cb 0.00 -2.54 0.17 0.00 0.56 0.00 0.00 36.38 34.57 1fpt s VAL 171 CO 0.00 -0.11 0.50 -1.00 -0.31 0.00 0.00 175.10 174.18 1fpt s HIS 172 N -2.92 -1.18 -0.23 2.82 3.76 0.83 -4.93 115.29 113.44 1fpt s HIS 172 Ca 0.65 0.08 -0.21 0.00 -0.15 0.00 0.00 55.06 55.43 1fpt s HIS 172 Cb -0.19 0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.49 1fpt s HIS 172 CO 0.58 -1.06 0.68 0.99 -0.85 0.00 0.00 174.74 175.07 1fpt s THR 173 N 2.03 4.96 0.33 1.30 2.01 -1.26 -0.33 115.64 124.68 1fpt s THR 173 Ca 0.14 1.25 -0.20 0.00 0.31 0.00 0.00 61.69 63.20 1fpt s THR 173 Cb -0.10 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 1fpt s THR 173 CO -0.14 0.03 0.83 -0.36 -0.69 0.00 0.00 174.62 174.29 1fpt s PHE 174 N 2.41 3.47 -0.19 4.92 0.40 -1.05 -5.00 117.98 122.94 1fpt s PHE 174 Ca 0.29 1.46 -0.36 0.00 -0.60 0.00 0.00 56.93 57.72 1fpt s PHE 174 Cb -0.16 -2.71 -0.13 0.00 0.51 0.00 0.00 43.02 40.54 1fpt s PHE 174 CO 0.09 0.11 1.89 -2.30 0.70 0.00 0.00 175.22 175.71 1fpt n PRO 175 N -0.06 1.72 -1.48 0.24 -0.02 -1.26 -4.54 135.00 129.60 1fpt n PRO 175 Ca 0.03 0.61 -0.49 0.00 -2.02 0.00 0.00 63.50 61.63 1fpt n PRO 175 Cb 0.52 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1fpt n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fpt n ALA 176 N 6.84 1.25 -1.56 3.55 0.00 -1.26 -4.88 120.51 124.46 1fpt n ALA 176 Ca 0.27 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.29 1fpt n ALA 176 Cb 0.24 -2.64 0.06 0.00 0.00 0.00 0.00 19.45 17.11 1fpt n ALA 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1fpt s VAL 177 N 7.55 3.76 -0.44 0.00 -7.23 -1.03 -4.81 120.40 118.20 1fpt s VAL 177 Ca 1.07 0.57 -0.07 0.00 -1.81 0.00 0.00 61.98 61.74 1fpt s VAL 177 Cb -0.73 -3.31 0.11 0.00 0.56 0.00 0.00 36.38 33.00 1fpt s VAL 177 CO 0.46 -0.75 0.28 -0.22 -0.31 0.00 0.00 175.10 174.56 1fpt s LEU 178 N -5.61 5.41 0.00 1.32 2.96 -1.26 -0.65 118.68 120.85 1fpt s LEU 178 Ca 0.59 -1.84 0.00 0.00 -0.22 0.00 0.00 54.13 52.65 1fpt s LEU 178 Cb -0.14 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1fpt s LEU 178 CO 0.55 -0.61 0.00 0.00 -1.32 0.00 0.00 176.35 174.97 1fpt n GLN 179 N 4.81 0.00 -3.10 1.98 6.02 -0.11 -4.80 117.38 122.19 1fpt n GLN 179 Ca -0.07 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.47 1fpt n GLN 179 Cb 0.41 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.64 1fpt n GLN 179 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1fpt s SER 180 N -1.00 6.41 0.00 1.08 0.01 -1.26 -4.34 113.70 114.60 1fpt s SER 180 Ca 0.00 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 55.44 1fpt s SER 180 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1fpt s SER 180 CO 0.00 -1.01 0.00 0.47 0.41 0.00 0.00 173.24 173.11 1fpt n ASP 181 N 5.96 0.00 -4.21 2.44 8.00 -1.26 -4.93 116.55 122.55 1fpt n ASP 181 Ca 0.04 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.39 1fpt n ASP 181 Cb 0.45 -2.36 -0.11 0.00 -0.02 0.00 0.00 41.12 39.09 1fpt n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fpt s LEU 182 N 0.00 2.44 0.11 0.64 1.43 -1.26 -4.83 118.68 117.21 1fpt s LEU 182 Ca 0.00 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 1fpt s LEU 182 Cb 0.00 -0.36 -0.07 0.00 0.03 0.00 0.00 46.19 45.79 1fpt s LEU 182 CO 0.00 -0.26 0.55 -0.31 0.23 0.00 0.00 176.35 176.56 1fpt s TYR 183 N -2.64 3.70 -0.28 0.29 2.02 0.19 -0.93 117.35 119.70 1fpt s TYR 183 Ca 0.09 1.15 0.02 0.00 -0.37 0.00 0.00 57.07 57.97 1fpt s TYR 183 Cb -0.02 -2.42 0.08 0.00 -0.40 0.00 0.00 41.96 39.20 1fpt s TYR 183 CO 0.01 0.50 -0.02 0.99 -1.57 0.00 0.00 175.55 175.46 1fpt s THR 184 N -1.30 1.84 -0.15 -0.71 2.01 0.18 -1.85 115.64 115.67 1fpt s THR 184 Ca 0.33 -1.69 -0.11 0.00 0.31 0.00 0.00 61.69 60.53 1fpt s THR 184 Cb -0.17 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1fpt s THR 184 CO 0.19 -0.30 0.23 -0.22 -0.69 0.00 0.00 174.62 173.83 1fpt s LEU 185 N 1.20 4.28 0.41 4.42 2.96 0.12 -2.47 118.68 129.61 1fpt s LEU 185 Ca 0.00 0.46 0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1fpt s LEU 185 Cb -0.19 -2.25 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 1fpt s LEU 185 CO -0.09 0.20 0.13 -0.55 -1.32 0.00 0.00 176.35 174.72 1fpt s SER 186 N 0.01 4.26 -0.25 3.68 0.15 -1.26 0.56 113.70 120.84 1fpt s SER 186 Ca 0.14 -1.17 -0.26 0.00 0.70 0.00 0.00 55.95 55.37 1fpt s SER 186 Cb -0.13 -0.46 0.10 0.00 -1.71 0.00 0.00 66.02 63.82 1fpt s SER 186 CO 0.03 -0.51 0.87 -0.55 1.20 0.00 0.00 173.24 174.28 1fpt s SER 187 N -3.84 -0.58 0.27 5.45 0.15 -0.10 -2.53 113.70 112.50 1fpt s SER 187 Ca 0.39 1.07 0.09 0.00 0.70 0.00 0.00 55.95 58.21 1fpt s SER 187 Cb 0.06 1.06 -0.05 0.00 -1.71 0.00 0.00 66.02 65.38 1fpt s SER 187 CO 0.21 -0.24 -0.14 -0.94 1.20 0.00 0.00 173.24 173.33 1fpt s SER 188 N 0.10 3.15 0.01 5.45 1.04 0.55 -0.03 113.70 123.97 1fpt s SER 188 Ca 0.01 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.37 1fpt s SER 188 Cb -0.04 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1fpt s SER 188 CO -0.02 -0.13 -0.05 -0.69 0.98 0.00 0.00 173.24 173.34 1fpt s VAL 189 N -2.76 0.35 -0.46 5.02 1.01 -0.71 -0.12 120.40 122.73 1fpt s VAL 189 Ca 0.28 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1fpt s VAL 189 Cb -0.01 -0.35 0.12 0.00 0.00 0.00 0.00 36.38 36.14 1fpt s VAL 189 CO 0.12 -0.09 0.20 -0.89 0.00 0.00 0.00 175.10 174.44 1fpt s THR 190 N -0.54 2.31 1.19 3.92 2.01 -1.21 -1.27 115.64 122.04 1fpt s THR 190 Ca -0.03 -2.92 -0.16 0.00 0.31 0.00 0.00 61.69 58.89 1fpt s THR 190 Cb -0.04 -2.63 0.28 0.00 0.01 0.00 0.00 72.50 70.11 1fpt s THR 190 CO -0.00 -0.76 1.04 0.54 -0.69 0.00 0.00 174.62 174.75 1fpt s VAL 191 N 0.15 1.79 0.04 3.82 0.11 0.36 -4.72 120.40 121.94 1fpt s VAL 191 Ca 0.15 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.90 1fpt s VAL 191 Cb -0.24 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1fpt s VAL 191 CO -0.03 0.00 1.04 0.42 -3.33 0.00 0.00 175.10 173.20 1fpt s THR 192 N -2.64 4.54 0.23 5.04 -4.23 -1.26 0.34 115.64 117.65 1fpt s THR 192 Ca 0.68 1.87 0.21 0.00 -1.18 0.00 0.00 61.69 63.28 1fpt s THR 192 Cb -0.19 -4.20 0.31 0.00 1.34 0.00 0.00 72.50 69.76 1fpt s THR 192 CO 0.60 0.17 0.65 -1.54 -0.54 0.00 0.00 174.62 173.97 1fpt n SER 193 N 3.68 0.00 -3.46 3.99 3.41 -1.22 -0.52 113.62 119.51 1fpt n SER 193 Ca 0.06 0.42 -0.27 0.00 -0.26 0.00 0.00 58.87 58.82 1fpt n SER 193 Cb 0.49 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 1fpt n SER 193 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1fpt n SER 194 N -2.82 0.34 0.00 4.04 2.88 -1.26 -4.03 113.62 112.76 1fpt n SER 194 Ca 0.19 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 1fpt n SER 194 Cb 0.85 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1fpt n SER 194 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1fpt n THR 195 N 2.46 0.00 -0.00 2.46 5.66 0.32 -4.76 114.28 120.42 1fpt n THR 195 Ca 0.27 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.14 1fpt n THR 195 Cb 0.46 -0.10 -0.10 0.00 -1.55 0.00 0.00 70.33 69.04 1fpt n THR 195 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 1fpt h TRP 196 N 0.00 -0.04 -0.51 1.09 7.01 -1.91 0.12 115.95 121.71 1fpt h TRP 196 Ca 0.00 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.08 1fpt h TRP 196 Cb 0.10 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 1fpt h TRP 196 CO 0.00 0.45 0.15 -1.35 -2.79 0.00 0.00 178.44 174.91 1fpt h PRO 197 N -0.54 0.30 0.07 2.65 0.11 -1.92 -3.23 132.00 129.43 1fpt h PRO 197 Ca -0.00 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1fpt h PRO 197 Cb 0.50 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1fpt h PRO 197 CO 0.01 0.20 -0.23 0.77 -0.21 0.00 0.00 178.00 178.54 1fpt h SER 198 N 0.31 -0.65 0.00 -2.05 0.02 -1.86 -3.43 113.55 105.89 1fpt h SER 198 Ca 0.25 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1fpt h SER 198 Cb 0.31 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1fpt h SER 198 CO -0.29 -0.30 0.00 1.67 -1.14 0.00 0.00 176.83 176.77 1fpt n GLN 203 N -5.35 0.00 0.00 3.45 7.27 0.41 -5.07 117.38 118.09 1fpt n GLN 203 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 1fpt n GLN 203 Cb 0.26 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.91 1fpt n GLN 203 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1fpt n SER 204 N -2.23 0.00 -3.69 1.69 2.88 -1.24 -5.04 113.62 105.98 1fpt n SER 204 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1fpt n SER 204 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1fpt n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1fpt s ILE 205 N -0.25 -0.15 -0.09 2.46 1.01 -1.26 -4.98 121.20 117.93 1fpt s ILE 205 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.01 1fpt s ILE 205 Cb 0.00 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.27 1fpt s ILE 205 CO 0.00 0.14 -0.16 -0.89 0.00 0.00 0.00 174.94 174.03 1fpt s THR 206 N 1.93 1.48 0.09 2.92 2.01 -1.26 -1.44 115.64 121.37 1fpt s THR 206 Ca 0.00 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 1fpt s THR 206 Cb -0.12 -1.34 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 1fpt s THR 206 CO -0.04 0.43 1.23 0.00 -0.69 0.00 0.00 174.62 175.55 1fpt s ASN 209 N 0.92 3.13 -0.03 0.00 -0.87 0.65 -1.39 114.94 117.35 1fpt s ASN 209 Ca 0.59 -0.58 0.03 0.00 -1.57 0.00 0.00 52.86 51.32 1fpt s ASN 209 Cb -0.31 -1.44 0.00 0.00 -0.02 0.00 0.00 41.25 39.48 1fpt s ASN 209 CO 0.30 0.11 -0.12 -0.69 -2.57 0.00 0.00 177.10 174.14 1fpt s VAL 210 N 0.66 0.99 -0.07 1.60 1.01 -0.71 -0.81 120.40 123.08 1fpt s VAL 210 Ca -0.11 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1fpt s VAL 210 Cb -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1fpt s VAL 210 CO 0.02 0.30 -0.17 0.00 0.00 0.00 0.00 175.10 175.25 1fpt s ALA 211 N 0.17 1.58 -0.51 5.51 0.00 -0.17 -1.27 121.76 127.08 1fpt s ALA 211 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1fpt s ALA 211 Cb -0.10 -0.61 0.13 0.00 0.00 0.00 0.00 23.12 22.55 1fpt s ALA 211 CO 0.01 0.22 0.27 -1.58 0.00 0.00 0.00 175.76 174.68 1fpt s HIS 212 N 0.36 3.39 0.12 0.00 2.46 -0.16 0.36 115.29 121.81 1fpt s HIS 212 Ca -0.12 -2.94 -0.13 0.00 0.47 0.00 0.00 55.06 52.34 1fpt s HIS 212 Cb -0.15 -2.99 -0.07 0.00 -0.13 0.00 0.00 32.58 29.25 1fpt s HIS 212 CO 0.04 -0.83 1.44 -1.00 -2.47 0.00 0.00 174.74 171.93 1fpt h PRO 213 N 6.99 0.80 -0.01 2.88 0.13 -1.81 -2.50 132.00 138.47 1fpt h PRO 213 Ca -0.06 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fpt h PRO 213 Cb 0.94 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1fpt h PRO 213 CO 0.67 1.06 0.00 0.00 -0.23 0.00 0.00 178.00 179.50 1fpt n ALA 214 N -2.52 1.66 -1.46 -0.56 0.00 -1.26 -1.36 120.51 115.01 1fpt n ALA 214 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1fpt n ALA 214 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1fpt n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1fpt n SER 215 N -0.44 0.00 -0.16 0.00 3.41 -1.02 -4.91 113.62 110.51 1fpt n SER 215 Ca 0.00 -1.00 -0.02 0.00 -0.26 0.00 0.00 58.87 57.59 1fpt n SER 215 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1fpt n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fpt n SER 216 N 0.00 -5.93 -4.68 4.04 7.64 -0.46 -4.94 113.62 109.29 1fpt n SER 216 Ca 0.00 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 1fpt n SER 216 Cb 0.43 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 60.00 1fpt n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fpt s THR 217 N -1.18 4.09 -0.08 0.44 2.01 -1.14 -4.94 115.64 114.83 1fpt s THR 217 Ca 0.00 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.43 1fpt s THR 217 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.62 1fpt s THR 217 CO 0.00 -0.03 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.23 1fpt s LYS 218 N 2.61 1.86 -0.10 4.92 1.02 -1.26 -0.99 119.74 127.80 1fpt s LYS 218 Ca 0.58 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 56.14 1fpt s LYS 218 Cb -0.26 -1.58 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1fpt s LYS 218 CO 0.22 -0.02 -0.14 0.08 -0.92 0.00 0.00 175.35 174.56 1fpt s VAL 219 N 0.85 1.42 -0.37 3.17 1.01 -0.40 -5.00 120.40 121.09 1fpt s VAL 219 Ca -0.11 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1fpt s VAL 219 Cb -0.15 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 34.97 1fpt s VAL 219 CO 0.01 0.43 0.18 -1.81 0.00 0.00 0.00 175.10 173.91 1fpt s ASP 220 N 0.97 5.51 -0.18 3.32 1.01 -1.26 -1.74 116.67 124.30 1fpt s ASP 220 Ca -0.07 -1.25 -0.00 0.00 0.71 0.00 0.00 52.55 51.94 1fpt s ASP 220 Cb -0.15 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1fpt s ASP 220 CO -0.01 -0.41 -0.16 -0.75 0.21 0.00 0.00 175.17 174.05 1fpt s LYS 221 N 1.43 3.12 -0.07 8.23 2.47 -0.49 -4.99 119.74 129.45 1fpt s LYS 221 Ca 0.01 -0.77 -0.20 0.00 -1.56 0.00 0.00 55.97 53.45 1fpt s LYS 221 Cb -0.21 -2.66 -0.04 0.00 -1.46 0.00 0.00 37.83 33.46 1fpt s LYS 221 CO 0.03 -0.14 0.55 0.21 0.16 0.00 0.00 175.35 176.16 1fpt s LYS 222 N 1.17 4.33 -0.35 4.03 2.20 -1.26 -1.08 119.74 128.78 1fpt s LYS 222 Ca 0.02 0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.94 1fpt s LYS 222 Cb -0.14 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1fpt s LYS 222 CO -0.07 0.23 1.57 0.42 -0.36 0.00 0.00 175.35 177.14 1fpt s ILE 223 N 0.34 3.74 -0.02 5.43 1.09 -0.52 -4.91 121.20 126.35 1fpt s ILE 223 Ca 0.29 0.77 0.02 0.00 -1.10 0.00 0.00 60.65 60.63 1fpt s ILE 223 Cb -0.16 -3.93 -0.03 0.00 -1.06 0.00 0.00 42.46 37.27 1fpt s ILE 223 CO 0.14 -0.55 -0.04 -1.61 -0.10 0.00 0.00 174.94 172.77 1fpt s GLU 226 N 5.10 2.69 0.43 2.79 2.02 -1.26 -4.75 118.70 125.72 1fpt s GLU 226 Ca 0.69 -0.64 -0.23 0.00 0.02 0.00 0.00 54.97 54.81 1fpt s GLU 226 Cb -0.19 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 1fpt s GLU 226 CO 0.32 0.63 1.05 -1.25 0.02 0.00 0.00 175.26 176.03 1fpt s PRO 227 N -1.33 4.04 0.00 0.39 0.04 -1.26 -4.74 135.00 132.13 1fpt s PRO 227 Ca 0.17 1.49 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1fpt s PRO 227 Cb -0.11 -2.41 0.50 0.00 0.04 0.00 0.00 34.50 32.52 1fpt s PRO 227 CO 0.07 -0.25 0.95 0.54 0.04 0.00 0.00 177.00 178.35