#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y18 n LEU 2 N 0.00 2.63 -3.90 4.31 7.94 -1.26 -4.98 117.00 121.74 1y18 n LEU 2 Ca 0.00 1.11 -0.29 0.00 -1.11 0.00 0.00 56.01 55.72 1y18 n LEU 2 Cb 0.00 -1.36 -0.16 0.00 0.53 0.00 0.00 43.42 42.43 1y18 n LEU 2 CO 0.00 -0.60 -0.42 -0.69 -1.11 0.00 0.00 177.39 174.57 1y18 s VAL 3 N 0.45 1.25 -0.06 1.96 1.01 -1.26 -4.98 120.40 118.77 1y18 s VAL 3 Ca 0.77 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1y18 s VAL 3 Cb -0.75 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1y18 s VAL 3 CO 0.44 0.02 0.67 -0.69 0.00 0.00 0.00 175.10 175.55 1y18 s VAL 4 N 1.55 5.03 -0.02 2.92 1.01 -1.26 -2.15 120.40 127.49 1y18 s VAL 4 Ca -0.02 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.42 1y18 s VAL 4 Cb -0.17 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1y18 s VAL 4 CO -0.07 0.28 -0.22 -0.89 0.00 0.00 0.00 175.10 174.20 1y18 s THR 5 N 0.65 1.72 0.11 3.92 2.01 -0.13 -3.99 115.64 119.94 1y18 s THR 5 Ca 0.36 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1y18 s THR 5 Cb -0.18 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1y18 s THR 5 CO 0.18 0.49 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.40 1y18 s GLN 6 N -0.47 0.89 0.21 4.92 -0.21 -1.26 -1.43 119.66 122.32 1y18 s GLN 6 Ca 0.07 -1.25 -0.30 0.00 0.02 0.00 0.00 55.36 53.89 1y18 s GLN 6 Cb -0.09 -0.50 -0.10 0.00 1.00 0.00 0.00 33.01 33.33 1y18 s GLN 6 CO -0.00 0.06 1.44 -1.83 -2.12 0.00 0.00 175.29 172.84 1y18 s GLU 7 N -3.18 4.28 0.16 2.91 1.03 -1.26 -4.85 118.70 117.79 1y18 s GLU 7 Ca 0.09 2.24 -0.16 0.00 0.03 0.00 0.00 54.97 57.17 1y18 s GLU 7 Cb -0.00 -3.15 0.09 0.00 -0.80 0.00 0.00 34.13 30.27 1y18 s GLU 7 CO -0.01 -0.43 1.71 0.77 -1.33 0.00 0.00 175.26 175.97 1y18 h SER 8 N 5.66 -0.08 -5.06 0.83 0.02 -1.96 -3.36 113.55 109.59 1y18 h SER 8 Ca -0.45 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.48 1y18 h SER 8 Cb 1.21 0.13 -0.17 0.00 0.14 0.00 0.00 62.40 63.71 1y18 h SER 8 CO 0.81 -0.01 -0.33 0.00 -1.14 0.00 0.00 176.83 176.17 1y18 s ALA 9 N -6.17 -0.51 -0.03 3.77 0.00 -1.26 -0.61 121.76 116.94 1y18 s ALA 9 Ca -0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 1y18 s ALA 9 Cb 0.13 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.56 1y18 s ALA 9 CO 0.71 -0.38 0.21 -0.51 0.00 0.00 0.00 175.76 175.79 1y18 s LEU 11 N -2.05 1.25 -0.03 0.00 1.43 -0.50 -4.91 118.68 113.87 1y18 s LEU 11 Ca -0.05 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1y18 s LEU 11 Cb -0.01 0.84 -0.00 0.00 0.03 0.00 0.00 46.19 47.04 1y18 s LEU 11 CO -0.03 -0.28 -0.14 -0.89 0.23 0.00 0.00 176.35 175.24 1y18 s THR 12 N -0.80 1.18 0.12 5.49 2.01 -1.26 -0.35 115.64 122.04 1y18 s THR 12 Ca -0.09 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1y18 s THR 12 Cb -0.05 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1y18 s THR 12 CO 0.02 0.35 0.06 0.28 -0.69 0.00 0.00 174.62 174.63 1y18 s THR 13 N -0.01 0.12 0.13 -0.82 -1.32 -0.39 -4.96 115.64 108.38 1y18 s THR 13 Ca -0.01 -1.85 0.03 0.00 -1.21 0.00 0.00 61.69 58.65 1y18 s THR 13 Cb -0.09 -1.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 1y18 s THR 13 CO 0.01 -0.53 0.17 -0.44 -2.21 0.00 0.00 174.62 171.62 1y18 s SER 14 N -3.02 5.85 0.54 8.08 0.01 -1.26 0.24 113.70 124.13 1y18 s SER 14 Ca 0.21 0.03 -0.19 0.00 1.31 0.00 0.00 55.95 57.30 1y18 s SER 14 Cb 0.07 -1.64 -0.08 0.00 0.21 0.00 0.00 66.02 64.58 1y18 s SER 14 CO -0.00 0.10 0.69 -2.65 0.41 0.00 0.00 173.24 171.79 1y18 n PRO 15 N -0.13 0.71 0.00 12.44 -0.02 -1.26 -1.66 135.00 145.08 1y18 n PRO 15 Ca -0.08 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1y18 n PRO 15 Cb 0.53 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1y18 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y18 n GLY 16 N 1.59 2.17 3.89 -1.23 0.00 0.63 -4.85 105.19 107.39 1y18 n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1y18 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y18 s GLU 17 N 0.00 0.97 -0.08 1.61 2.12 -0.66 -3.81 118.70 118.84 1y18 s GLU 17 Ca 0.00 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.21 1y18 s GLU 17 Cb 0.00 -1.86 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 1y18 s GLU 17 CO 0.00 -2.23 -0.23 0.99 -0.54 0.00 0.00 175.26 173.25 1y18 s THR 18 N -3.68 2.23 0.06 -1.70 2.01 -1.26 -0.45 115.64 112.85 1y18 s THR 18 Ca 0.69 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1y18 s THR 18 Cb -0.07 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1y18 s THR 18 CO 0.52 0.56 -0.10 0.54 -0.69 0.00 0.00 174.62 175.45 1y18 s VAL 19 N 0.06 0.78 -0.06 3.82 0.11 -0.18 -5.00 120.40 119.92 1y18 s VAL 19 Ca -0.10 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 1y18 s VAL 19 Cb -0.15 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1y18 s VAL 19 CO 0.06 -0.35 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.54 1y18 s THR 20 N -1.45 0.67 -0.13 5.04 2.01 -1.26 -0.55 115.64 119.96 1y18 s THR 20 Ca -0.06 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 1y18 s THR 20 Cb -0.09 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1y18 s THR 20 CO 0.01 0.27 0.17 -0.76 -0.69 0.00 0.00 174.62 173.62 1y18 s LEU 21 N 1.23 4.34 0.31 4.42 1.02 0.34 -4.94 118.68 125.39 1y18 s LEU 21 Ca -0.06 0.45 0.08 0.00 0.02 0.00 0.00 54.13 54.62 1y18 s LEU 21 Cb -0.14 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.90 1y18 s LEU 21 CO -0.02 0.33 0.15 0.42 0.02 0.00 0.00 176.35 177.24 1y18 s THR 22 N -0.58 3.47 -0.14 5.49 -4.23 -1.26 -0.93 115.64 117.46 1y18 s THR 22 Ca 0.14 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1y18 s THR 22 Cb -0.12 -3.06 0.06 0.00 1.34 0.00 0.00 72.50 70.71 1y18 s THR 22 CO 0.03 -0.26 0.12 0.00 -0.54 0.00 0.00 174.62 173.97 1y18 s ARG 24 N 2.20 2.00 0.01 0.00 1.70 -0.51 -1.20 118.95 123.14 1y18 s ARG 24 Ca 0.04 -1.03 -0.07 0.00 -0.47 0.00 0.00 55.73 54.20 1y18 s ARG 24 Cb -0.15 -2.17 -0.05 0.00 -0.57 0.00 0.00 34.95 32.02 1y18 s ARG 24 CO -0.08 0.52 0.27 0.45 -1.08 0.00 0.00 175.30 175.39 1y18 s SER 25 N -1.61 6.50 0.10 -2.89 0.15 -1.25 -0.95 113.70 113.75 1y18 s SER 25 Ca 0.15 0.58 0.27 0.00 0.70 0.00 0.00 55.95 57.65 1y18 s SER 25 Cb -0.10 -2.10 0.89 0.00 -1.71 0.00 0.00 66.02 63.00 1y18 s SER 25 CO 0.06 0.26 1.74 -1.54 1.20 0.00 0.00 173.24 174.96 1y18 n SER 26 N 1.15 0.46 -1.39 5.45 3.41 -0.91 -3.31 113.62 118.48 1y18 n SER 26 Ca -0.11 0.41 0.10 0.00 -0.26 0.00 0.00 58.87 59.01 1y18 n SER 26 Cb 0.53 -0.46 0.32 0.00 -0.26 0.00 0.00 64.21 64.34 1y18 n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1y18 n SER 27 N -1.88 4.07 0.00 4.04 7.64 -1.26 -4.94 113.62 121.29 1y18 n SER 27 Ca 0.06 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1y18 n SER 27 Cb 0.39 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1y18 n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y18 n GLY 27 N 1.42 0.70 3.77 0.23 0.00 -1.21 -5.07 105.19 105.03 1y18 n GLY 27 Ca 0.24 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1y18 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 s ALA 27 N -1.49 3.35 0.29 4.61 0.00 -1.26 -3.93 121.76 123.32 1y18 s ALA 27 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 1y18 s ALA 27 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1y18 s ALA 27 CO 0.00 -0.44 1.03 0.08 0.00 0.00 0.00 175.76 176.43 1y18 s VAL 27 N -1.25 3.74 0.10 0.00 1.01 0.11 -4.96 120.40 119.16 1y18 s VAL 27 Ca 0.50 1.67 0.01 0.00 0.00 0.00 0.00 61.98 64.16 1y18 s VAL 27 Cb -0.34 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1y18 s VAL 27 CO 0.44 0.33 -0.04 0.28 0.00 0.00 0.00 175.10 176.12 1y18 s THR 28 N -1.27 0.54 0.39 3.92 -1.32 -1.26 -4.74 115.64 111.89 1y18 s THR 28 Ca 0.46 -1.91 0.23 0.00 -1.21 0.00 0.00 61.69 59.25 1y18 s THR 28 Cb -0.28 -1.76 0.40 0.00 -1.51 0.00 0.00 72.50 69.35 1y18 s THR 28 CO 0.35 -0.80 1.61 0.74 -2.21 0.00 0.00 174.62 174.32 1y18 h THR 29 N 2.95 0.11 0.00 5.08 2.02 -1.98 0.91 112.91 122.00 1y18 h THR 29 Ca -0.35 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1y18 h THR 29 Cb 1.17 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1y18 h THR 29 CO 0.64 0.02 0.00 -1.54 0.37 0.00 0.00 175.52 175.01 1y18 n SER 30 N -4.99 0.00 0.02 4.18 3.41 -1.26 -1.20 113.62 113.77 1y18 n SER 30 Ca 0.36 -0.92 0.11 0.00 -0.26 0.00 0.00 58.87 58.17 1y18 n SER 30 Cb 1.28 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 65.22 1y18 n SER 30 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y18 n ASN 31 N -0.79 0.62 -4.10 4.04 4.13 0.31 -4.80 115.26 114.68 1y18 n ASN 31 Ca 0.09 -0.34 -0.31 0.00 1.68 0.00 0.00 54.58 55.71 1y18 n ASN 31 Cb 0.04 0.90 -0.03 0.00 -1.54 0.00 0.00 39.78 39.15 1y18 n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1y18 n TYR 32 N -1.88 -1.67 -1.45 3.10 4.01 -0.34 -0.23 117.16 118.70 1y18 n TYR 32 Ca 0.02 0.76 -0.55 0.00 -0.16 0.00 0.00 57.90 57.97 1y18 n TYR 32 Cb 0.42 -3.34 -0.06 0.00 -0.31 0.00 0.00 39.34 36.05 1y18 n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y18 n ALA 33 N -4.42 -3.40 -2.73 -0.72 0.00 -1.26 -3.95 120.51 104.04 1y18 n ALA 33 Ca -0.14 0.55 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 1y18 n ALA 33 Cb 0.60 -1.70 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 1y18 n ALA 33 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1y18 s THR 34 N -0.30 0.60 0.07 0.00 -1.32 -0.78 -0.01 115.64 113.91 1y18 s THR 34 Ca 0.82 -1.24 0.08 0.00 -1.21 0.00 0.00 61.69 60.14 1y18 s THR 34 Cb -1.16 -0.82 -0.03 0.00 -1.51 0.00 0.00 72.50 68.98 1y18 s THR 34 CO 0.56 -0.46 -0.22 0.26 -2.21 0.00 0.00 174.62 172.56 1y18 s TRP 35 N -1.76 1.89 -0.01 9.09 0.52 -0.76 -1.30 118.94 126.60 1y18 s TRP 35 Ca -0.06 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.70 1y18 s TRP 35 Cb -0.07 -1.08 -0.01 0.00 -1.15 0.00 0.00 33.47 31.16 1y18 s TRP 35 CO -0.00 0.16 -0.09 0.08 0.02 0.00 0.00 176.95 177.11 1y18 s VAL 36 N -0.95 0.74 -0.15 4.03 1.01 0.77 -0.42 120.40 125.42 1y18 s VAL 36 Ca 0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1y18 s VAL 36 Cb -0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1y18 s VAL 36 CO 0.03 0.21 -0.03 -1.58 0.00 0.00 0.00 175.10 173.74 1y18 s GLN 37 N -0.17 3.62 -0.25 2.72 0.74 0.44 0.11 119.66 126.87 1y18 s GLN 37 Ca 0.03 -0.50 -0.05 0.00 0.05 0.00 0.00 55.36 54.89 1y18 s GLN 37 Cb -0.04 -2.92 -0.00 0.00 1.10 0.00 0.00 33.01 31.15 1y18 s GLN 37 CO -0.00 0.30 0.01 -2.00 -0.55 0.00 0.00 175.29 173.04 1y18 s GLU 38 N 0.22 3.28 0.26 1.67 2.12 0.62 -1.02 118.70 125.86 1y18 s GLU 38 Ca -0.02 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.67 1y18 s GLU 38 Cb -0.14 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1y18 s GLU 38 CO 0.03 -0.29 0.26 0.15 -0.54 0.00 0.00 175.26 174.87 1y18 s LYS 39 N 1.49 3.04 0.27 4.30 -0.14 0.17 -1.93 119.74 126.95 1y18 s LYS 39 Ca 0.04 -1.00 -0.28 0.00 -1.36 0.00 0.00 55.97 53.37 1y18 s LYS 39 Cb -0.15 -2.65 -0.15 0.00 -1.68 0.00 0.00 37.83 33.20 1y18 s LYS 39 CO -0.01 0.36 0.90 -2.30 -0.76 0.00 0.00 175.35 173.54 1y18 n PRO 40 N -1.28 1.05 -1.88 -1.68 -0.02 -1.26 -2.37 135.00 127.56 1y18 n PRO 40 Ca -0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1y18 n PRO 40 Cb 0.58 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1y18 n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1y18 n ASP 41 N 1.38 -1.18 -3.73 2.55 8.00 -1.26 -4.22 116.55 118.09 1y18 n ASP 41 Ca 0.11 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 1y18 n ASP 41 Cb 0.31 -0.43 0.02 0.00 -0.02 0.00 0.00 41.12 41.00 1y18 n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1y18 n HIS 42 N -3.04 -1.88 -3.70 1.24 8.25 -1.20 -4.96 115.22 109.94 1y18 n HIS 42 Ca 0.00 0.80 -0.38 0.00 -0.26 0.00 0.00 57.72 57.87 1y18 n HIS 42 Cb 0.43 -4.20 -0.11 0.00 1.12 0.00 0.00 29.99 27.23 1y18 n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1y18 s LEU 43 N -6.67 4.97 -0.01 2.41 1.43 -1.00 -4.99 118.68 114.82 1y18 s LEU 43 Ca 0.05 -1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 51.52 1y18 s LEU 43 Cb -0.01 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1y18 s LEU 43 CO 0.83 -0.49 0.13 -0.36 0.23 0.00 0.00 176.35 176.69 1y18 s PHE 44 N 1.32 3.43 -0.03 0.29 0.08 -1.26 -0.66 117.98 121.15 1y18 s PHE 44 Ca 0.03 0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.37 1y18 s PHE 44 Cb -0.22 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1y18 s PHE 44 CO -0.00 0.61 0.06 0.99 -0.10 0.00 0.00 175.22 176.78 1y18 s THR 45 N -1.25 -0.06 0.16 0.64 2.01 -0.19 -4.95 115.64 111.99 1y18 s THR 45 Ca 0.25 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1y18 s THR 45 Cb -0.12 -0.13 -0.08 0.00 0.01 0.00 0.00 72.50 72.18 1y18 s THR 45 CO 0.16 0.09 1.20 -0.83 -0.69 0.00 0.00 174.62 174.55 1y18 s GLY 46 N 1.15 2.60 -0.10 4.40 0.00 -1.26 -0.42 107.32 113.69 1y18 s GLY 46 Ca -0.09 0.93 -0.11 0.00 0.00 0.00 0.00 44.72 45.46 1y18 s GLY 46 CO -0.04 1.91 -0.22 1.04 0.00 0.00 0.00 173.10 175.79 1y18 n LEU 47 N 2.84 1.55 -4.32 0.66 4.77 0.43 -4.78 117.00 118.15 1y18 n LEU 47 Ca 0.05 0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 56.03 1y18 n LEU 47 Cb 0.45 -0.57 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1y18 n LEU 47 CO 0.56 -0.28 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.17 1y18 s ILE 48 N -2.52 1.88 0.03 -0.08 -1.09 -1.21 -0.19 121.20 118.03 1y18 s ILE 48 Ca -0.19 -1.62 -0.04 0.00 -2.23 0.00 0.00 60.65 56.57 1y18 s ILE 48 Cb 0.04 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.21 1y18 s ILE 48 CO 0.28 -0.02 0.06 -0.83 -1.23 0.00 0.00 174.94 173.19 1y18 s GLY 49 N -1.97 0.22 -1.47 6.18 0.00 0.84 -1.84 107.32 109.28 1y18 s GLY 49 Ca 0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 1y18 s GLY 49 CO 0.05 -0.73 0.87 0.61 0.00 0.00 0.00 173.10 173.89 1y18 n GLY 50 N 0.91 -0.53 4.94 0.20 0.00 -1.20 -1.19 105.19 108.32 1y18 n GLY 50 Ca -0.20 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1y18 n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y18 n THR 51 N -4.74 0.00 -0.58 2.61 -1.04 0.99 -3.97 114.28 107.55 1y18 n THR 51 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1y18 n THR 51 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1y18 n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1y18 n ASN 52 N 1.64 0.63 -4.65 8.00 6.94 -1.23 -2.70 115.26 123.88 1y18 n ASN 52 Ca 0.00 -1.21 -0.39 0.00 -0.02 0.00 0.00 54.58 52.96 1y18 n ASN 52 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1y18 n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1y18 s LYS 53 N -0.21 4.15 0.40 -3.83 1.02 -0.33 -4.33 119.74 116.61 1y18 s LYS 53 Ca 0.00 0.36 -0.24 0.00 0.02 0.00 0.00 55.97 56.11 1y18 s LYS 53 Cb 0.00 -3.59 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 1y18 s LYS 53 CO 0.00 -0.21 1.09 0.50 -0.92 0.00 0.00 175.35 175.81 1y18 s ARG 54 N 1.84 4.14 0.37 1.68 3.52 -1.26 -0.11 118.95 129.12 1y18 s ARG 54 Ca 0.23 1.62 -0.17 0.00 -0.13 0.00 0.00 55.73 57.27 1y18 s ARG 54 Cb -0.15 -2.60 -0.10 0.00 -1.56 0.00 0.00 34.95 30.54 1y18 s ARG 54 CO 0.09 -0.19 0.83 0.00 -0.81 0.00 0.00 175.30 175.22 1y18 s ALA 55 N -1.57 3.20 0.28 6.12 0.00 0.73 -4.85 121.76 125.68 1y18 s ALA 55 Ca 0.57 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1y18 s ALA 55 Cb -0.25 -2.93 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 1y18 s ALA 55 CO 0.31 0.22 1.60 -0.35 0.00 0.00 0.00 175.76 177.54 1y18 n PRO 56 N -0.55 2.66 -0.11 0.00 -0.04 -1.26 -1.93 135.00 133.78 1y18 n PRO 56 Ca 0.05 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1y18 n PRO 56 Cb 0.54 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1y18 n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y18 n GLY 57 N 2.31 0.71 3.64 0.55 0.00 -1.26 -5.05 105.19 106.09 1y18 n GLY 57 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1y18 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y18 s VAL 58 N -2.36 5.08 0.67 1.61 1.01 -0.81 -5.04 120.40 120.56 1y18 s VAL 58 Ca 0.00 0.93 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 1y18 s VAL 58 Cb 0.00 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1y18 s VAL 58 CO 0.00 0.12 0.90 -0.81 0.00 0.00 0.00 175.10 175.31 1y18 n PRO 59 N 5.21 0.62 0.00 2.72 -0.04 -1.26 -4.84 135.00 137.41 1y18 n PRO 59 Ca -0.04 0.26 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 1y18 n PRO 59 Cb 0.50 -2.14 0.23 0.00 -0.04 0.00 0.00 33.50 32.05 1y18 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y18 n ALA 60 N -2.19 1.55 0.30 0.55 0.00 -1.26 -2.43 120.51 117.03 1y18 n ALA 60 Ca 0.13 -0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.68 1y18 n ALA 60 Cb 0.49 -1.15 0.67 0.00 0.00 0.00 0.00 19.45 19.46 1y18 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y18 h ARG 61 N 0.00 0.00 -5.57 0.00 3.08 -1.88 -3.41 114.38 106.60 1y18 h ARG 61 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1y18 h ARG 61 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1y18 h ARG 61 CO 0.00 0.00 -0.44 -0.06 -1.07 0.00 0.00 179.97 178.40 1y18 s PHE 62 N -3.58 3.55 0.01 3.04 0.08 -1.02 -0.60 117.98 119.46 1y18 s PHE 62 Ca 0.00 0.53 -0.15 0.00 0.12 0.00 0.00 56.93 57.44 1y18 s PHE 62 Cb 0.09 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1y18 s PHE 62 CO 0.38 0.56 0.32 -1.54 -0.10 0.00 0.00 175.22 174.85 1y18 s SER 63 N -0.53 -0.18 0.31 1.36 1.04 -0.64 -4.96 113.70 110.11 1y18 s SER 63 Ca 0.14 -0.02 0.11 0.00 0.48 0.00 0.00 55.95 56.66 1y18 s SER 63 Cb -0.12 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 1y18 s SER 63 CO 0.03 -0.54 -0.14 -0.83 0.98 0.00 0.00 173.24 172.75 1y18 s GLY 64 N -1.68 2.04 0.00 7.32 0.00 -1.26 -0.41 107.32 113.33 1y18 s GLY 64 Ca -0.09 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 42.65 1y18 s GLY 64 CO 0.01 -1.99 0.00 -1.14 0.00 0.00 0.00 173.10 169.97 1y18 n SER 65 N -0.72 0.00 -4.55 1.64 3.41 -0.72 -4.44 113.62 108.24 1y18 n SER 65 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.21 1y18 n SER 65 Cb 0.62 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 1y18 n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y18 s LEU 66 N 0.00 3.57 -0.17 1.04 1.43 -1.26 0.38 118.68 123.67 1y18 s LEU 66 Ca 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1y18 s LEU 66 Cb 0.00 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1y18 s LEU 66 CO 0.00 0.13 -0.10 -0.63 0.23 0.00 0.00 176.35 175.98 1y18 s ILE 67 N 0.64 1.40 0.00 -0.59 1.01 -0.07 -4.95 121.20 118.63 1y18 s ILE 67 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1y18 s ILE 67 Cb -0.14 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1y18 s ILE 67 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1y18 n GLY 68 N 4.79 2.94 1.10 6.18 0.00 -1.26 -1.28 105.19 117.67 1y18 n GLY 68 Ca -0.14 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.73 1y18 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y18 n ASP 69 N 4.74 3.22 -4.69 1.61 9.92 -1.26 -4.88 116.55 125.21 1y18 n ASP 69 Ca 0.00 -1.98 -0.23 0.00 -0.53 0.00 0.00 54.79 52.05 1y18 n ASP 69 Cb 0.00 -0.36 -0.07 0.00 -0.64 0.00 0.00 41.12 40.05 1y18 n ASP 69 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1y18 s ARG 70 N -1.29 2.28 0.08 -1.24 0.52 -0.41 0.08 118.95 118.98 1y18 s ARG 70 Ca 0.40 -1.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.04 1y18 s ARG 70 Cb 0.22 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1y18 s ARG 70 CO 0.29 0.16 0.20 0.00 0.02 0.00 0.00 175.30 175.97 1y18 s ALA 71 N -2.44 3.91 0.03 2.13 0.00 -0.34 -0.90 121.76 124.16 1y18 s ALA 71 Ca 0.36 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1y18 s ALA 71 Cb -0.02 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 1y18 s ALA 71 CO 0.21 0.75 0.13 0.00 0.00 0.00 0.00 175.76 176.85 1y18 s ALA 72 N -1.54 -0.19 -0.16 0.00 0.00 0.16 -0.22 121.76 119.81 1y18 s ALA 72 Ca 0.34 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1y18 s ALA 72 Cb -0.12 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1y18 s ALA 72 CO 0.27 -0.32 -0.19 -1.17 0.00 0.00 0.00 175.76 174.35 1y18 s LEU 73 N -2.02 2.23 -0.17 0.00 2.96 -0.11 -1.76 118.68 119.81 1y18 s LEU 73 Ca -0.06 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.26 1y18 s LEU 73 Cb -0.02 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.18 1y18 s LEU 73 CO -0.04 0.05 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.00 1y18 s THR 74 N 1.03 2.63 -0.29 3.68 2.01 0.45 -0.50 115.64 124.64 1y18 s THR 74 Ca -0.02 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 1y18 s THR 74 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1y18 s THR 74 CO -0.06 0.51 0.09 -0.63 -0.69 0.00 0.00 174.62 173.84 1y18 s ILE 75 N 1.04 4.11 -0.09 1.82 1.01 0.29 -1.61 121.20 127.76 1y18 s ILE 75 Ca -0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 1y18 s ILE 75 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1y18 s ILE 75 CO -0.04 0.11 0.11 0.42 0.00 0.00 0.00 174.94 175.55 1y18 s THR 76 N 1.53 5.22 -0.89 2.92 -4.23 0.23 -1.01 115.64 119.41 1y18 s THR 76 Ca 0.03 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.56 1y18 s THR 76 Cb -0.17 -3.29 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1y18 s THR 76 CO 0.03 0.56 0.75 0.61 -0.54 0.00 0.00 174.62 176.03 1y18 n GLY 77 N 1.82 -0.31 3.60 3.99 0.00 0.06 -4.74 105.19 109.60 1y18 n GLY 77 Ca -0.18 0.08 -0.49 0.00 0.00 0.00 0.00 46.02 45.43 1y18 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 n ALA 78 N -3.24 -0.48 -2.57 4.61 0.00 0.40 -4.39 120.51 114.84 1y18 n ALA 78 Ca -0.18 0.47 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 1y18 n ALA 78 Cb 0.62 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 17.90 1y18 n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y18 s GLN 79 N -0.07 2.12 0.44 0.00 -0.21 -1.26 -0.27 119.66 120.41 1y18 s GLN 79 Ca 0.76 -1.59 0.10 0.00 0.02 0.00 0.00 55.36 54.65 1y18 s GLN 79 Cb -0.85 -2.02 0.96 0.00 1.00 0.00 0.00 33.01 32.10 1y18 s GLN 79 CO 0.50 0.27 2.07 1.79 -2.12 0.00 0.00 175.29 177.80 1y18 h THR 80 N 1.91 1.08 0.00 -0.19 1.35 -1.93 0.44 112.91 115.57 1y18 h THR 80 Ca -0.43 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1y18 h THR 80 Cb 1.25 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1y18 h THR 80 CO 0.62 0.09 0.00 -0.62 -0.25 0.00 0.00 175.52 175.36 1y18 n GLU 81 N -4.47 0.05 0.00 4.72 1.02 -1.26 -2.02 120.64 118.69 1y18 n GLU 81 Ca 0.01 0.46 0.14 0.00 -0.02 0.00 0.00 57.16 57.75 1y18 n GLU 81 Cb 0.09 -1.64 0.58 0.00 -0.02 0.00 0.00 31.44 30.45 1y18 n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1y18 n ASP 82 N -1.74 0.59 -4.62 1.62 8.00 0.14 -4.83 116.55 115.72 1y18 n ASP 82 Ca 0.01 -0.68 -0.43 0.00 0.71 0.00 0.00 54.79 54.40 1y18 n ASP 82 Cb 0.07 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1y18 n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1y18 s GLU 83 N -2.44 3.53 0.01 -1.24 2.02 -0.85 -4.84 118.70 114.89 1y18 s GLU 83 Ca 0.29 2.06 -0.06 0.00 0.02 0.00 0.00 54.97 57.28 1y18 s GLU 83 Cb 0.20 -4.24 0.02 0.00 0.10 0.00 0.00 34.13 30.21 1y18 s GLU 83 CO 0.47 -1.64 0.25 0.00 0.02 0.00 0.00 175.26 174.36 1y18 n ALA 84 N 9.91 -0.70 -3.14 5.21 0.00 -1.19 -4.91 120.51 125.69 1y18 n ALA 84 Ca 0.25 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 1y18 n ALA 84 Cb 0.44 0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 1y18 n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1y18 s ILE 85 N -2.26 3.49 -0.22 0.00 1.01 -0.81 -1.05 121.20 121.35 1y18 s ILE 85 Ca 0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1y18 s ILE 85 Cb -0.00 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1y18 s ILE 85 CO 0.00 0.48 0.05 -0.31 0.00 0.00 0.00 174.94 175.17 1y18 s TYR 86 N 0.67 3.11 -0.08 3.97 1.51 0.02 -0.28 117.35 126.27 1y18 s TYR 86 Ca -0.04 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1y18 s TYR 86 Cb -0.15 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 1y18 s TYR 86 CO 0.02 -0.22 0.06 -0.06 -1.11 0.00 0.00 175.55 174.25 1y18 s PHE 87 N 1.20 3.32 0.10 2.71 0.08 0.12 -0.68 117.98 124.83 1y18 s PHE 87 Ca 0.04 0.30 0.10 0.00 0.12 0.00 0.00 56.93 57.48 1y18 s PHE 87 Cb -0.14 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1y18 s PHE 87 CO 0.03 0.57 -0.23 0.00 -0.10 0.00 0.00 175.22 175.48 1y18 s ALA 89 N -1.03 -0.19 0.03 0.00 0.00 -0.42 0.96 121.76 121.11 1y18 s ALA 89 Ca 0.15 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1y18 s ALA 89 Cb -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1y18 s ALA 89 CO 0.07 -0.11 -0.24 -0.51 0.00 0.00 0.00 175.76 174.96 1y18 s LEU 90 N -0.63 2.14 -0.30 0.00 1.43 0.42 -1.86 118.68 119.88 1y18 s LEU 90 Ca -0.07 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 1y18 s LEU 90 Cb -0.04 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 1y18 s LEU 90 CO 0.00 0.24 0.46 0.86 0.23 0.00 0.00 176.35 178.15 1y18 s TRP 91 N -0.75 3.22 -0.95 0.29 -0.11 0.68 -0.71 118.94 120.62 1y18 s TRP 91 Ca 0.10 0.35 -0.01 0.00 1.22 0.00 0.00 56.10 57.76 1y18 s TRP 91 Cb -0.10 -2.76 0.28 0.00 -1.50 0.00 0.00 33.47 29.40 1y18 s TRP 91 CO 0.01 -0.38 1.21 -1.71 -4.62 0.00 0.00 176.95 171.46 1y18 n ASN 92 N 5.55 5.48 0.00 5.86 5.15 0.04 -4.40 115.26 132.94 1y18 n ASN 92 Ca -0.06 -3.38 0.00 0.00 -0.60 0.00 0.00 54.58 50.54 1y18 n ASN 92 Cb 0.50 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 1y18 n ASN 92 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1y18 n SER 93 N 1.33 0.00 -0.22 1.20 7.64 -1.26 -3.39 113.62 118.92 1y18 n SER 93 Ca 0.27 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.16 1y18 n SER 93 Cb 0.36 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.58 1y18 n SER 93 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1y18 n ASN 94 N 1.52 0.50 -3.47 6.43 0.23 -1.26 -5.09 115.26 114.12 1y18 n ASN 94 Ca 0.00 -1.80 -0.13 0.00 -0.53 0.00 0.00 54.58 52.12 1y18 n ASN 94 Cb 0.00 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 37.52 1y18 n ASN 94 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1y18 s HIS 95 N -0.47 -0.55 -0.13 -2.53 -3.43 -1.22 -5.16 115.29 101.81 1y18 s HIS 95 Ca 0.04 0.59 -0.06 0.00 -0.80 0.00 0.00 55.06 54.83 1y18 s HIS 95 Cb 0.04 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 1y18 s HIS 95 CO 0.00 -0.71 0.09 -1.17 -2.00 0.00 0.00 174.74 170.96 1y18 s LEU 96 N -2.12 4.08 -0.13 5.38 2.96 -1.26 -0.78 118.68 126.81 1y18 s LEU 96 Ca -0.03 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1y18 s LEU 96 Cb -0.01 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1y18 s LEU 96 CO -0.04 0.34 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.46 1y18 s VAL 97 N -0.62 1.74 0.38 1.68 1.01 0.11 -4.96 120.40 119.75 1y18 s VAL 97 Ca 0.12 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1y18 s VAL 97 Cb -0.12 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 1y18 s VAL 97 CO 0.02 0.49 0.73 -0.36 0.00 0.00 0.00 175.10 175.98 1y18 s PHE 98 N 1.00 3.47 0.66 5.22 0.08 -1.26 -0.44 117.98 126.71 1y18 s PHE 98 Ca -0.05 0.98 -0.04 0.00 0.12 0.00 0.00 56.93 57.94 1y18 s PHE 98 Cb -0.15 -2.38 0.14 0.00 -0.57 0.00 0.00 43.02 40.06 1y18 s PHE 98 CO -0.03 -0.04 0.91 0.41 -0.10 0.00 0.00 175.22 176.36 1y18 n GLY 99 N -1.17 0.07 0.01 4.36 0.00 0.27 -4.41 105.19 104.33 1y18 n GLY 99 Ca 0.02 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.25 1y18 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 100 N -1.61 -1.39 0.00 -0.02 0.00 -1.26 -4.73 105.19 96.18 1y18 n GLY 100 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y18 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 101 N 1.43 -1.24 3.10 -0.02 0.00 -1.26 -5.00 105.19 102.20 1y18 n GLY 101 Ca 0.09 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1y18 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y18 s THR 102 N -3.34 1.70 -0.29 2.61 2.01 0.14 -4.51 115.64 113.96 1y18 s THR 102 Ca 0.00 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 1y18 s THR 102 Cb 0.00 -1.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1y18 s THR 102 CO 0.00 0.48 0.76 -0.75 -0.69 0.00 0.00 174.62 174.42 1y18 s LYS 103 N 0.91 4.00 -0.27 4.92 2.20 0.22 -0.80 119.74 130.91 1y18 s LYS 103 Ca -0.07 0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 56.03 1y18 s LYS 103 Cb -0.15 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 1y18 s LYS 103 CO -0.01 -0.62 0.21 -1.17 -0.36 0.00 0.00 175.35 173.40 1y18 s LEU 104 N 2.87 4.04 -0.02 5.43 2.96 -0.22 -1.41 118.68 132.33 1y18 s LEU 104 Ca 0.31 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1y18 s LEU 104 Cb -0.14 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1y18 s LEU 104 CO 0.11 -0.05 0.02 -0.70 -1.32 0.00 0.00 176.35 174.41 1y18 s GLU 105 N 1.67 2.89 -0.28 1.98 2.12 0.52 -3.17 118.70 124.43 1y18 s GLU 105 Ca 0.08 -0.54 -0.06 0.00 0.36 0.00 0.00 54.97 54.81 1y18 s GLU 105 Cb -0.16 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1y18 s GLU 105 CO 0.10 0.65 0.05 0.42 -0.54 0.00 0.00 175.26 175.94 1y18 s ILE 106 N -1.07 3.85 0.48 -3.70 -1.09 -1.26 -1.27 121.20 117.14 1y18 s ILE 106 Ca 0.19 -0.64 -0.24 0.00 -2.23 0.00 0.00 60.65 57.72 1y18 s ILE 106 Cb -0.12 -2.94 -0.07 0.00 -1.58 0.00 0.00 42.46 37.75 1y18 s ILE 106 CO 0.09 0.15 1.42 -0.75 -1.23 0.00 0.00 174.94 174.63 1y18 s LYS 107 N 1.49 3.52 0.17 2.79 2.36 0.14 -4.93 119.74 125.27 1y18 s LYS 107 Ca 0.03 2.39 -0.10 0.00 -2.55 0.00 0.00 55.97 55.75 1y18 s LYS 107 Cb -0.17 -2.54 -0.01 0.00 -1.05 0.00 0.00 37.83 34.07 1y18 s LYS 107 CO 0.01 -0.94 0.31 -0.98 1.55 0.00 0.00 175.35 175.30 1y18 s ARG 108 N -2.59 1.19 0.23 4.03 1.04 -1.26 -4.46 118.95 117.14 1y18 s ARG 108 Ca 0.64 -1.16 -0.30 0.00 -1.04 0.00 0.00 55.73 53.87 1y18 s ARG 108 Cb -0.43 0.39 -0.10 0.00 -2.04 0.00 0.00 34.95 32.77 1y18 s ARG 108 CO 0.55 -0.44 1.45 0.95 -0.04 0.00 0.00 175.30 177.77 1y18 s THR 109 N -3.96 2.69 0.11 4.99 -4.23 -1.26 -4.87 115.64 109.10 1y18 s THR 109 Ca 0.17 0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 60.94 1y18 s THR 109 Cb 0.03 -3.36 -0.17 0.00 1.34 0.00 0.00 72.50 70.34 1y18 s THR 109 CO 0.00 0.08 0.69 0.52 -0.54 0.00 0.00 174.62 175.37 1y18 n VAL 110 N 2.64 1.08 -3.73 2.29 0.31 -1.26 -4.89 118.33 114.76 1y18 n VAL 110 Ca 0.08 -0.27 -0.27 0.00 -0.01 0.00 0.00 64.34 63.87 1y18 n VAL 110 Cb 0.40 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.16 1y18 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y18 s ALA 111 N -0.54 0.90 0.52 3.52 0.00 0.43 -4.93 121.76 121.67 1y18 s ALA 111 Ca 0.69 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 1y18 s ALA 111 Cb -0.98 -1.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 1y18 s ALA 111 CO 0.52 -1.08 1.18 0.00 0.00 0.00 0.00 175.76 176.37 1y18 s ALA 112 N 1.90 2.79 0.55 0.00 0.00 -1.26 -0.19 121.76 125.54 1y18 s ALA 112 Ca 0.00 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 1y18 s ALA 112 Cb -0.16 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 1y18 s ALA 112 CO -0.08 -0.85 1.01 -1.25 0.00 0.00 0.00 175.76 174.60 1y18 s PRO 113 N -3.03 3.72 -0.25 0.00 0.04 -1.26 -4.60 135.00 129.61 1y18 s PRO 113 Ca 0.70 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1y18 s PRO 113 Cb -0.28 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1y18 s PRO 113 CO 0.33 -0.47 0.21 -1.12 0.04 0.00 0.00 177.00 175.99 1y18 s SER 114 N -3.08 6.14 -0.09 6.66 0.01 -0.85 -4.82 113.70 117.68 1y18 s SER 114 Ca 0.60 0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.94 1y18 s SER 114 Cb -0.12 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1y18 s SER 114 CO 0.35 0.00 0.16 -0.69 0.41 0.00 0.00 173.24 173.47 1y18 s VAL 115 N 1.33 5.47 -0.02 3.43 1.01 -1.26 -0.61 120.40 129.76 1y18 s VAL 115 Ca 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1y18 s VAL 115 Cb -0.14 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1y18 s VAL 115 CO 0.07 0.54 0.04 -0.36 0.00 0.00 0.00 175.10 175.39 1y18 s PHE 116 N -1.11 -0.04 -0.07 5.22 0.08 -0.01 -4.98 117.98 117.07 1y18 s PHE 116 Ca 0.19 0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.41 1y18 s PHE 116 Cb -0.12 -0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.30 1y18 s PHE 116 CO 0.08 -0.04 -0.25 -1.50 -0.10 0.00 0.00 175.22 173.42 1y18 s ILE 117 N 0.21 2.05 -0.22 0.64 2.07 -1.26 0.62 121.20 125.31 1y18 s ILE 117 Ca -0.02 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 1y18 s ILE 117 Cb -0.02 -1.75 0.03 0.00 0.13 0.00 0.00 42.46 40.84 1y18 s ILE 117 CO -0.01 0.56 -0.12 -0.36 -1.91 0.00 0.00 174.94 173.11 1y18 s PHE 118 N 0.04 3.00 0.74 3.50 0.08 0.21 -5.00 117.98 120.55 1y18 s PHE 118 Ca -0.10 -1.71 -0.11 0.00 0.12 0.00 0.00 56.93 55.14 1y18 s PHE 118 Cb -0.15 -1.99 0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1y18 s PHE 118 CO 0.06 -0.78 1.08 -1.25 -0.10 0.00 0.00 175.22 174.23 1y18 s PRO 119 N 1.28 2.53 0.55 0.24 0.04 -1.26 -1.39 135.00 136.98 1y18 s PRO 119 Ca 0.00 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 61.84 1y18 s PRO 119 Cb -0.16 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1y18 s PRO 119 CO -0.08 -1.40 1.16 -1.25 0.04 0.00 0.00 177.00 175.48 1y18 s PRO 120 N -5.00 3.28 0.57 0.56 0.04 -1.22 -4.83 135.00 128.39 1y18 s PRO 120 Ca 0.60 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 1y18 s PRO 120 Cb -0.15 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1y18 s PRO 120 CO 0.55 -0.93 1.03 0.45 0.04 0.00 0.00 177.00 178.15 1y18 s SER 121 N -1.67 6.11 0.19 6.66 0.15 -1.26 -4.96 113.70 118.92 1y18 s SER 121 Ca 0.73 1.69 -0.10 0.00 0.70 0.00 0.00 55.95 58.98 1y18 s SER 121 Cb -0.26 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 1y18 s SER 121 CO 0.30 -0.94 1.75 0.44 1.20 0.00 0.00 173.24 175.99 1y18 h ASP 122 N 0.52 0.96 -0.81 5.45 3.32 -2.00 -2.41 116.42 121.45 1y18 h ASP 122 Ca -0.47 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 56.49 1y18 h ASP 122 Cb 1.20 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.44 1y18 h ASP 122 CO 0.59 0.87 0.48 -0.33 -1.72 0.00 0.00 179.24 179.13 1y18 h GLU 123 N 0.99 0.82 -0.34 3.56 5.08 -2.00 -1.42 114.58 121.27 1y18 h GLU 123 Ca 0.23 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1y18 h GLU 123 Cb 0.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1y18 h GLU 123 CO -0.02 0.54 -0.17 0.37 -1.00 0.00 0.00 179.01 178.74 1y18 h GLN 124 N 0.85 0.62 -0.49 2.33 4.15 -1.79 -2.88 115.11 117.89 1y18 h GLN 124 Ca 0.37 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1y18 h GLN 124 Cb 0.24 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1y18 h GLN 124 CO -0.20 0.76 0.26 -0.07 -1.93 0.00 0.00 178.83 177.65 1y18 h LEU 125 N 0.56 0.60 -1.74 -2.39 3.38 -0.79 -1.91 115.31 113.01 1y18 h LEU 125 Ca 0.09 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1y18 h LEU 125 Cb 0.60 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1y18 h LEU 125 CO 0.04 0.49 0.27 0.11 0.09 0.00 0.00 178.44 179.44 1y18 h LYS 126 N 0.68 0.32 0.00 1.13 1.57 -1.25 0.72 116.57 119.74 1y18 h LYS 126 Ca 0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1y18 h LYS 126 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1y18 h LYS 126 CO -0.03 0.21 0.00 -1.13 -0.57 0.00 0.00 179.45 177.93 1y18 n SER 127 N -4.48 0.00 0.00 0.86 3.41 -0.72 -4.86 113.62 107.84 1y18 n SER 127 Ca 0.05 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1y18 n SER 127 Cb 0.23 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1y18 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y18 n GLY 128 N 0.38 1.38 3.47 5.00 0.00 0.25 -5.04 105.19 110.64 1y18 n GLY 128 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1y18 n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y18 s THR 129 N -2.77 2.60 -0.08 2.61 2.01 -1.25 0.44 115.64 119.21 1y18 s THR 129 Ca 0.00 -2.01 -0.01 0.00 0.31 0.00 0.00 61.69 59.98 1y18 s THR 129 Cb 0.00 -2.29 0.03 0.00 0.01 0.00 0.00 72.50 70.25 1y18 s THR 129 CO 0.00 -0.17 -0.02 0.00 -0.69 0.00 0.00 174.62 173.73 1y18 s ALA 130 N -1.85 0.85 -0.20 7.40 0.00 0.46 -3.56 121.76 124.86 1y18 s ALA 130 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1y18 s ALA 130 Cb -0.08 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1y18 s ALA 130 CO 0.12 -0.40 -0.04 -1.12 0.00 0.00 0.00 175.76 174.32 1y18 s SER 131 N 1.80 4.45 -0.22 0.00 0.01 -1.26 -0.93 113.70 117.56 1y18 s SER 131 Ca 0.03 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 1y18 s SER 131 Cb -0.13 -1.75 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 1y18 s SER 131 CO -0.05 0.03 0.05 -0.69 0.41 0.00 0.00 173.24 172.99 1y18 s VAL 132 N 1.16 4.42 -0.08 3.43 1.01 0.76 -3.42 120.40 127.69 1y18 s VAL 132 Ca 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1y18 s VAL 132 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1y18 s VAL 132 CO -0.00 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 1y18 s VAL 133 N 1.05 3.67 -0.14 2.92 1.01 -0.49 -0.21 120.40 128.21 1y18 s VAL 133 Ca 0.04 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1y18 s VAL 133 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1y18 s VAL 133 CO 0.03 0.59 -0.19 0.00 0.00 0.00 0.00 175.10 175.53 1y18 s LEU 135 N 1.03 3.01 -0.27 0.00 2.96 0.20 -0.43 118.68 125.17 1y18 s LEU 135 Ca -0.03 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 1y18 s LEU 135 Cb -0.15 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1y18 s LEU 135 CO -0.05 0.07 0.08 -0.76 -1.32 0.00 0.00 176.35 174.36 1y18 s LEU 136 N 0.96 3.65 -0.09 -0.68 1.02 0.73 -0.83 118.68 123.45 1y18 s LEU 136 Ca -0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.68 1y18 s LEU 136 Cb -0.15 -1.90 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 1y18 s LEU 136 CO 0.01 -0.12 -0.08 0.21 0.02 0.00 0.00 176.35 176.39 1y18 s ASN 137 N 1.56 4.55 -0.69 2.29 2.47 0.22 -0.47 114.94 124.86 1y18 s ASN 137 Ca 0.05 -0.09 -0.14 0.00 0.42 0.00 0.00 52.86 53.10 1y18 s ASN 137 Cb -0.16 -1.30 0.02 0.00 -1.45 0.00 0.00 41.25 38.36 1y18 s ASN 137 CO 0.03 0.31 0.63 0.59 -3.72 0.00 0.00 177.10 174.93 1y18 n ASN 138 N 2.60 -5.10 -4.46 -4.21 5.03 -0.95 -2.00 115.26 106.17 1y18 n ASN 138 Ca -0.18 -0.67 -0.25 0.00 0.87 0.00 0.00 54.58 54.34 1y18 n ASN 138 Cb 0.53 -1.70 -0.10 0.00 -1.02 0.00 0.00 39.78 37.49 1y18 n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1y18 s PHE 139 N -2.45 2.03 -0.28 3.10 -0.71 -0.05 -4.58 117.98 115.03 1y18 s PHE 139 Ca 0.14 -0.97 -0.24 0.00 -1.04 0.00 0.00 56.93 54.82 1y18 s PHE 139 Cb -0.01 -1.41 0.13 0.00 -1.21 0.00 0.00 43.02 40.52 1y18 s PHE 139 CO 0.89 0.07 1.07 -0.47 -1.34 0.00 0.00 175.22 175.43 1y18 s TYR 140 N -3.10 -0.44 0.56 3.49 6.14 0.73 -1.10 117.35 123.62 1y18 s TYR 140 Ca 0.29 1.06 -0.09 0.00 0.64 0.00 0.00 57.07 58.96 1y18 s TYR 140 Cb 0.07 0.37 0.14 0.00 0.42 0.00 0.00 41.96 42.96 1y18 s TYR 140 CO 0.14 -0.21 0.44 -0.35 0.64 0.00 0.00 175.55 176.21 1y18 n PRO 141 N 2.32 -2.33 0.11 4.97 -0.04 -1.26 -0.43 135.00 138.34 1y18 n PRO 141 Ca -0.13 -0.72 -0.03 0.00 -0.04 0.00 0.00 63.50 62.58 1y18 n PRO 141 Cb 0.56 -0.74 0.13 0.00 -0.04 0.00 0.00 33.50 33.41 1y18 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1y18 h ARG 142 N 0.00 0.10 -6.09 0.54 2.43 -1.98 -3.44 114.38 105.94 1y18 h ARG 142 Ca -0.18 -0.07 -0.61 0.00 -0.81 0.00 0.00 59.98 58.31 1y18 h ARG 142 Cb 0.55 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1y18 h ARG 142 CO 0.11 0.71 1.36 0.39 -1.51 0.00 0.00 179.97 181.03 1y18 n GLU 143 N -3.81 1.88 -3.72 0.20 4.71 -1.26 -4.93 120.64 113.71 1y18 n GLU 143 Ca -0.02 0.58 -0.12 0.00 -0.01 0.00 0.00 57.16 57.60 1y18 n GLU 143 Cb 0.64 -2.88 -0.11 0.00 -1.01 0.00 0.00 31.44 28.07 1y18 n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1y18 s ALA 144 N 6.72 -0.90 -0.22 0.62 0.00 -1.26 -4.53 121.76 122.19 1y18 s ALA 144 Ca 1.00 1.26 -0.06 0.00 0.00 0.00 0.00 51.96 54.16 1y18 s ALA 144 Cb -0.56 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1y18 s ALA 144 CO 0.43 -0.22 0.03 0.21 0.00 0.00 0.00 175.76 176.21 1y18 s LYS 145 N 0.98 3.62 -0.21 0.00 2.20 -0.44 -4.97 119.74 120.92 1y18 s LYS 145 Ca -0.06 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1y18 s LYS 145 Cb -0.07 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1y18 s LYS 145 CO -0.08 -0.08 -0.08 0.08 -0.36 0.00 0.00 175.35 174.83 1y18 s VAL 146 N 1.27 3.01 -0.10 4.02 1.01 -1.26 -0.77 120.40 127.58 1y18 s VAL 146 Ca 0.04 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1y18 s VAL 146 Cb -0.15 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1y18 s VAL 146 CO 0.02 0.44 -0.17 -1.58 0.00 0.00 0.00 175.10 173.81 1y18 s GLN 147 N 1.42 3.04 -0.03 2.72 0.74 0.11 -4.96 119.66 122.71 1y18 s GLN 147 Ca 0.05 -0.76 -0.13 0.00 0.05 0.00 0.00 55.36 54.57 1y18 s GLN 147 Cb -0.14 -2.45 -0.05 0.00 1.10 0.00 0.00 33.01 31.46 1y18 s GLN 147 CO -0.06 0.30 0.35 -1.58 -0.55 0.00 0.00 175.29 173.76 1y18 s TRP 148 N 0.08 3.70 -0.07 1.67 0.52 -1.26 -0.13 118.94 123.45 1y18 s TRP 148 Ca -0.08 0.90 -0.02 0.00 0.02 0.00 0.00 56.10 56.92 1y18 s TRP 148 Cb -0.15 -2.22 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1y18 s TRP 148 CO 0.05 0.66 0.03 0.15 0.02 0.00 0.00 176.95 177.86 1y18 s LYS 149 N -1.06 0.34 -0.41 4.98 1.02 -0.68 -0.79 119.74 123.15 1y18 s LYS 149 Ca 0.22 0.17 -0.08 0.00 0.02 0.00 0.00 55.97 56.30 1y18 s LYS 149 Cb -0.16 -0.91 0.08 0.00 -0.52 0.00 0.00 37.83 36.32 1y18 s LYS 149 CO 0.11 -0.35 0.23 0.08 -0.92 0.00 0.00 175.35 174.51 1y18 s VAL 150 N 2.04 4.07 -1.25 3.17 1.01 -0.88 -1.59 120.40 126.97 1y18 s VAL 150 Ca 0.05 -1.42 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1y18 s VAL 150 Cb -0.13 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1y18 s VAL 150 CO -0.05 -0.47 0.80 0.47 0.00 0.00 0.00 175.10 175.85 1y18 n ASP 151 N 4.87 -2.06 -1.34 3.32 8.00 0.93 -2.03 116.55 128.24 1y18 n ASP 151 Ca -0.10 -0.77 -0.17 0.00 0.71 0.00 0.00 54.79 54.46 1y18 n ASP 151 Cb 0.43 -4.40 -0.07 0.00 -0.02 0.00 0.00 41.12 37.05 1y18 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1y18 n ASN 152 N -3.07 -5.33 -4.30 -2.24 4.13 -1.26 -4.97 115.26 98.22 1y18 n ASN 152 Ca -0.27 0.43 -0.41 0.00 1.68 0.00 0.00 54.58 56.02 1y18 n ASN 152 Cb 0.67 -4.37 -0.10 0.00 -1.54 0.00 0.00 39.78 34.43 1y18 n ASN 152 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y18 s ALA 153 N -2.57 3.32 -0.00 5.41 0.00 -0.86 -5.04 121.76 122.01 1y18 s ALA 153 Ca 0.00 -2.08 -0.30 0.00 0.00 0.00 0.00 51.96 49.58 1y18 s ALA 153 Cb 0.00 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 1y18 s ALA 153 CO 0.00 -1.62 2.02 1.28 0.00 0.00 0.00 175.76 177.44 1y18 n LEU 154 N 4.96 4.03 -4.81 0.00 4.32 -1.26 -2.07 117.00 122.17 1y18 n LEU 154 Ca -0.11 0.79 -0.29 0.00 -0.02 0.00 0.00 56.01 56.39 1y18 n LEU 154 Cb 0.43 -1.53 0.12 0.00 -1.62 0.00 0.00 43.42 40.82 1y18 n LEU 154 CO 0.39 0.06 0.73 -1.10 -1.22 0.00 0.00 177.39 176.26 1y18 s GLN 155 N 4.77 1.36 -0.28 3.23 -1.52 0.03 -4.98 119.66 122.27 1y18 s GLN 155 Ca 0.91 0.26 -0.21 0.00 -1.95 0.00 0.00 55.36 54.37 1y18 s GLN 155 Cb -0.42 -1.87 0.12 0.00 -0.22 0.00 0.00 33.01 30.63 1y18 s GLN 155 CO 0.41 -2.04 0.95 -1.12 -0.25 0.00 0.00 175.29 173.24 1y18 s SER 156 N -4.16 -0.55 0.00 5.90 0.01 -1.26 -4.75 113.70 108.89 1y18 s SER 156 Ca 0.63 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1y18 s SER 156 Cb -0.14 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.18 1y18 s SER 156 CO 0.52 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1y18 n GLY 157 N 2.98 0.44 0.82 3.44 0.00 -1.26 -4.86 105.19 106.74 1y18 n GLY 157 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1y18 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y18 n ASN 158 N -0.23 1.53 -3.79 1.61 6.94 -1.26 -5.03 115.26 115.03 1y18 n ASN 158 Ca 0.00 -3.40 -0.13 0.00 -0.02 0.00 0.00 54.58 51.04 1y18 n ASN 158 Cb 0.11 -0.47 -0.12 0.00 -2.36 0.00 0.00 39.78 36.95 1y18 n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1y18 s SER 159 N -2.90 -0.24 0.07 0.53 1.04 -1.26 -1.76 113.70 109.18 1y18 s SER 159 Ca 0.37 0.46 0.08 0.00 0.48 0.00 0.00 55.95 57.34 1y18 s SER 159 Cb 0.37 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.93 1y18 s SER 159 CO -0.09 -0.08 -0.21 -1.10 0.98 0.00 0.00 173.24 172.73 1y18 s GLN 160 N 0.17 1.33 0.19 4.02 -0.21 -0.75 -4.93 119.66 119.48 1y18 s GLN 160 Ca -0.00 -1.04 0.08 0.00 0.02 0.00 0.00 55.36 54.41 1y18 s GLN 160 Cb -0.02 -1.52 -0.04 0.00 1.00 0.00 0.00 33.01 32.43 1y18 s GLN 160 CO -0.00 0.38 -0.15 -1.83 -2.12 0.00 0.00 175.29 171.56 1y18 s GLU 161 N -1.45 1.29 0.02 2.91 -1.05 -1.26 -0.24 118.70 118.91 1y18 s GLU 161 Ca 0.08 -1.51 0.02 0.00 -0.15 0.00 0.00 54.97 53.41 1y18 s GLU 161 Cb -0.09 -1.15 -0.01 0.00 -0.44 0.00 0.00 34.13 32.43 1y18 s GLU 161 CO 0.03 0.21 -0.07 -1.12 0.95 0.00 0.00 175.26 175.25 1y18 s SER 162 N -3.08 0.79 0.00 0.83 0.01 -0.07 -4.98 113.70 107.21 1y18 s SER 162 Ca 0.20 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.19 1y18 s SER 162 Cb -0.02 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 1y18 s SER 162 CO 0.06 -0.05 -0.14 0.54 0.41 0.00 0.00 173.24 174.06 1y18 s VAL 163 N -0.71 1.10 0.78 3.43 0.11 -1.26 -1.01 120.40 122.83 1y18 s VAL 163 Ca -0.03 -0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 58.25 1y18 s VAL 163 Cb -0.06 -0.93 0.10 0.00 -1.53 0.00 0.00 36.38 33.96 1y18 s VAL 163 CO 0.00 0.24 1.10 0.42 -3.33 0.00 0.00 175.10 173.54 1y18 s THR 164 N -0.44 2.16 0.54 5.04 -4.23 -0.05 -4.99 115.64 113.67 1y18 s THR 164 Ca 0.05 -0.21 -0.16 0.00 -1.18 0.00 0.00 61.69 60.18 1y18 s THR 164 Cb -0.06 -2.94 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 1y18 s THR 164 CO -0.00 0.00 1.00 -1.61 -0.54 0.00 0.00 174.62 173.47 1y18 s GLU 165 N -5.42 3.80 -0.01 3.99 0.41 -1.26 -4.57 118.70 115.65 1y18 s GLU 165 Ca 0.64 1.00 -0.34 0.00 -0.41 0.00 0.00 54.97 55.86 1y18 s GLU 165 Cb -0.09 -2.11 -0.13 0.00 -1.78 0.00 0.00 34.13 30.02 1y18 s GLU 165 CO 0.47 -0.40 1.75 0.94 -0.49 0.00 0.00 175.26 177.54 1y18 n GLN 166 N -1.72 2.08 -1.74 1.61 7.27 -1.26 -4.75 117.38 118.86 1y18 n GLN 166 Ca 0.07 0.76 -0.42 0.00 0.07 0.00 0.00 57.00 57.48 1y18 n GLN 166 Cb 0.54 -2.56 -0.03 0.00 2.41 0.00 0.00 30.24 30.60 1y18 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1y18 s ASP 167 N 2.86 6.37 0.47 1.69 -1.08 0.11 -4.85 116.67 122.24 1y18 s ASP 167 Ca 0.88 2.89 0.18 0.00 -0.52 0.00 0.00 52.55 55.98 1y18 s ASP 167 Cb -0.72 -2.61 1.14 0.00 -1.46 0.00 0.00 42.92 39.27 1y18 s ASP 167 CO 0.48 -0.96 2.03 0.28 0.52 0.00 0.00 175.17 177.51 1y18 h SER 168 N 6.22 0.00 0.00 -0.34 0.02 -1.88 0.11 113.55 117.68 1y18 h SER 168 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1y18 h SER 168 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1y18 h SER 168 CO 0.91 0.16 0.00 2.29 -1.14 0.00 0.00 176.83 179.04 1y18 n LYS 169 N -4.17 0.00 -0.05 3.45 2.85 -1.26 -4.04 118.16 114.94 1y18 n LYS 169 Ca -0.02 0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.43 1y18 n LYS 169 Cb 0.23 -0.65 0.47 0.00 -0.65 0.00 0.00 35.03 34.43 1y18 n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1y18 n ASP 170 N -0.76 1.12 -2.20 -5.58 5.68 -1.26 -4.92 116.55 108.63 1y18 n ASP 170 Ca 0.00 -1.57 -0.20 0.00 -0.50 0.00 0.00 54.79 52.52 1y18 n ASP 170 Cb 0.00 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 39.89 1y18 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1y18 n SER 171 N -0.06 -5.57 -4.98 -1.12 7.64 0.39 -4.96 113.62 104.96 1y18 n SER 171 Ca 0.16 0.13 -0.18 0.00 1.01 0.00 0.00 58.87 59.99 1y18 n SER 171 Cb 0.25 -4.72 0.01 0.00 -1.01 0.00 0.00 64.21 58.74 1y18 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1y18 s THR 172 N -2.92 2.83 0.25 0.44 -4.23 -1.25 -4.62 115.64 106.14 1y18 s THR 172 Ca 0.00 -1.08 0.12 0.00 -1.18 0.00 0.00 61.69 59.55 1y18 s THR 172 Cb 0.00 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 1y18 s THR 172 CO 0.00 0.00 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 1y18 s TYR 173 N -2.41 2.27 -0.02 3.99 2.02 -0.26 0.07 117.35 123.01 1y18 s TYR 173 Ca 0.54 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 1y18 s TYR 173 Cb -0.08 -1.03 0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1y18 s TYR 173 CO 0.32 0.64 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.76 1y18 s SER 174 N -3.22 0.81 0.11 2.29 0.01 -1.26 -0.87 113.70 111.57 1y18 s SER 174 Ca 0.27 -0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.47 1y18 s SER 174 Cb -0.06 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1y18 s SER 174 CO 0.13 0.03 -0.16 -0.22 0.41 0.00 0.00 173.24 173.43 1y18 s LEU 175 N 0.26 2.37 -0.02 2.44 0.20 0.38 -0.87 118.68 123.43 1y18 s LEU 175 Ca -0.03 -0.76 0.01 0.00 0.69 0.00 0.00 54.13 54.04 1y18 s LEU 175 Cb -0.07 -0.64 0.01 0.00 -0.43 0.00 0.00 46.19 45.05 1y18 s LEU 175 CO -0.00 -0.08 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.00 1y18 s SER 176 N -2.25 0.61 -0.07 3.68 1.04 -0.18 -0.19 113.70 116.34 1y18 s SER 176 Ca 0.07 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.47 1y18 s SER 176 Cb -0.07 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 1y18 s SER 176 CO 0.04 -0.00 -0.23 -0.55 0.98 0.00 0.00 173.24 173.48 1y18 s SER 177 N 0.36 2.88 -0.19 7.02 0.15 0.42 -0.89 113.70 123.46 1y18 s SER 177 Ca -0.04 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1y18 s SER 177 Cb -0.07 -1.06 0.02 0.00 -1.71 0.00 0.00 66.02 63.20 1y18 s SER 177 CO -0.00 0.18 -0.17 -0.89 1.20 0.00 0.00 173.24 173.56 1y18 s THR 178 N 0.13 2.28 -0.24 6.45 2.01 0.66 -0.16 115.64 126.77 1y18 s THR 178 Ca -0.11 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1y18 s THR 178 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1y18 s THR 178 CO 0.06 0.50 0.39 -0.22 -0.69 0.00 0.00 174.62 174.66 1y18 s LEU 179 N 1.31 4.09 -0.18 4.42 2.96 0.70 -1.80 118.68 130.18 1y18 s LEU 179 Ca 0.05 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 1y18 s LEU 179 Cb -0.13 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1y18 s LEU 179 CO -0.11 -0.15 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.80 1y18 s THR 180 N 1.77 3.27 0.12 3.68 2.01 -0.72 -0.17 115.64 125.60 1y18 s THR 180 Ca 0.17 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1y18 s THR 180 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1y18 s THR 180 CO 0.09 0.47 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.62 1y18 s LEU 181 N 0.91 2.45 0.50 4.42 1.43 -0.11 -4.89 118.68 123.38 1y18 s LEU 181 Ca -0.02 -0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 52.01 1y18 s LEU 181 Cb -0.15 -0.38 -0.08 0.00 0.03 0.00 0.00 46.19 45.62 1y18 s LEU 181 CO 0.00 -0.26 1.03 -0.94 0.23 0.00 0.00 176.35 176.42 1y18 s SER 182 N -2.68 6.31 0.33 2.29 1.04 -1.26 -0.40 113.70 119.33 1y18 s SER 182 Ca 0.10 1.90 0.11 0.00 0.48 0.00 0.00 55.95 58.53 1y18 s SER 182 Cb -0.02 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.47 1y18 s SER 182 CO 0.01 -0.80 1.73 0.50 0.98 0.00 0.00 173.24 175.66 1y18 h LYS 183 N 1.43 0.54 0.11 4.02 3.64 -0.28 -1.66 116.57 124.36 1y18 h LYS 183 Ca -0.49 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1y18 h LYS 183 Cb 1.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1y18 h LYS 183 CO 0.59 0.35 -0.18 0.00 -2.27 0.00 0.00 179.45 177.94 1y18 h ALA 184 N 1.72 -0.80 -0.99 5.00 0.00 -1.90 -1.86 119.26 120.43 1y18 h ALA 184 Ca 0.64 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.59 1y18 h ALA 184 Cb 1.28 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 19.51 1y18 h ALA 184 CO -0.45 -0.83 0.63 -0.44 0.00 0.00 0.00 179.25 178.16 1y18 h ASP 185 N -0.31 0.96 -0.99 0.00 3.32 -1.79 -1.06 116.42 116.55 1y18 h ASP 185 Ca -0.01 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.16 1y18 h ASP 185 Cb 0.29 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 1y18 h ASP 185 CO -0.07 0.55 0.62 0.22 -1.72 0.00 0.00 179.24 178.85 1y18 h TYR 186 N 1.05 1.14 0.00 4.55 3.20 -1.09 0.11 116.97 125.94 1y18 h TYR 186 Ca 0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1y18 h TYR 186 Cb 0.35 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1y18 h TYR 186 CO -0.01 0.52 0.00 0.39 -1.64 0.00 0.00 178.16 177.42 1y18 n GLU 187 N -4.58 0.13 0.00 1.82 1.02 -0.45 -3.09 120.64 115.49 1y18 n GLU 187 Ca 0.17 0.17 0.15 0.00 -0.02 0.00 0.00 57.16 57.63 1y18 n GLU 187 Cb 0.27 -1.67 0.77 0.00 -0.02 0.00 0.00 31.44 30.79 1y18 n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1y18 n LYS 188 N -1.90 0.94 -4.16 3.49 4.76 0.39 -4.89 118.16 116.78 1y18 n LYS 188 Ca 0.05 -0.21 -0.10 0.00 -2.87 0.00 0.00 58.31 55.18 1y18 n LYS 188 Cb 0.34 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.94 1y18 n LYS 188 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1y18 s HIS 189 N -2.20 0.88 -0.00 2.13 3.76 -1.18 -5.08 115.29 113.60 1y18 s HIS 189 Ca 0.39 -1.21 -0.06 0.00 -0.15 0.00 0.00 55.06 54.03 1y18 s HIS 189 Cb 0.21 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 1y18 s HIS 189 CO 0.40 -0.48 -0.12 1.63 -0.85 0.00 0.00 174.74 175.33 1y18 n LYS 190 N -0.10 0.18 -2.79 1.40 4.76 -1.26 -4.71 118.16 115.64 1y18 n LYS 190 Ca -0.06 0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1y18 n LYS 190 Cb 0.64 -0.78 -0.03 0.00 -1.84 0.00 0.00 35.03 33.01 1y18 n LYS 190 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1y18 s VAL 191 N -2.22 4.81 -0.25 -0.18 1.01 -1.26 -0.38 120.40 121.93 1y18 s VAL 191 Ca -0.10 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.74 1y18 s VAL 191 Cb 0.01 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.22 1y18 s VAL 191 CO 0.14 -0.02 -0.12 -0.31 0.00 0.00 0.00 175.10 174.79 1y18 s TYR 192 N 2.32 3.16 0.09 5.22 2.02 -0.15 -0.05 117.35 129.95 1y18 s TYR 192 Ca 0.42 -2.19 0.07 0.00 -0.37 0.00 0.00 57.07 55.00 1y18 s TYR 192 Cb -0.17 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1y18 s TYR 192 CO 0.13 -0.86 -0.19 0.00 -1.57 0.00 0.00 175.55 173.05 1y18 s ALA 193 N 1.14 1.61 -0.21 3.71 0.00 -0.62 -1.15 121.76 126.24 1y18 s ALA 193 Ca -0.07 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1y18 s ALA 193 Cb -0.19 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1y18 s ALA 193 CO -0.06 0.31 -0.11 0.00 0.00 0.00 0.00 175.76 175.90 1y18 s GLU 195 N 1.35 3.67 -0.11 0.00 2.12 0.82 -1.38 118.70 125.16 1y18 s GLU 195 Ca 0.03 -0.47 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 1y18 s GLU 195 Cb -0.15 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1y18 s GLU 195 CO -0.07 -0.19 -0.10 0.08 -0.54 0.00 0.00 175.26 174.44 1y18 s VAL 196 N 1.61 3.37 -0.12 3.70 1.01 0.11 0.04 120.40 130.13 1y18 s VAL 196 Ca 0.06 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1y18 s VAL 196 Cb -0.15 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1y18 s VAL 196 CO 0.04 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 174.59 1y18 s THR 197 N -0.03 2.34 -0.09 3.92 2.01 0.05 -1.02 115.64 122.82 1y18 s THR 197 Ca -0.02 -0.91 -0.24 0.00 0.31 0.00 0.00 61.69 60.83 1y18 s THR 197 Cb -0.14 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.50 1y18 s THR 197 CO 0.03 0.55 0.56 -2.28 -0.69 0.00 0.00 174.62 172.79 1y18 s HIS 198 N 0.48 -0.54 0.46 4.92 2.46 -1.26 -1.33 115.29 120.48 1y18 s HIS 198 Ca -0.14 1.04 0.23 0.00 0.47 0.00 0.00 55.06 56.67 1y18 s HIS 198 Cb -0.17 0.28 1.24 0.00 -0.13 0.00 0.00 32.58 33.80 1y18 s HIS 198 CO 0.05 -0.47 1.85 0.37 -2.47 0.00 0.00 174.74 174.08 1y18 h GLN 199 N 3.83 0.24 0.00 2.88 4.15 -1.93 0.20 115.11 124.48 1y18 h GLN 199 Ca -0.28 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1y18 h GLN 199 Cb 1.16 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1y18 h GLN 199 CO 0.32 0.16 0.00 0.41 -1.93 0.00 0.00 178.83 177.79 1y18 n GLY 200 N -1.59 -0.91 3.24 2.39 0.00 -1.26 -4.71 105.19 102.35 1y18 n GLY 200 Ca 0.20 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1y18 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y18 s LEU 201 N -1.68 2.46 0.28 0.99 1.43 0.70 -4.49 118.68 118.37 1y18 s LEU 201 Ca 0.30 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1y18 s LEU 201 Cb 0.14 -1.57 0.38 0.00 0.03 0.00 0.00 46.19 45.16 1y18 s LEU 201 CO 0.23 0.05 1.90 0.77 0.23 0.00 0.00 176.35 179.53 1y18 h SER 202 N 7.56 0.95 -4.66 2.29 4.64 -1.84 -3.43 113.55 119.05 1y18 h SER 202 Ca -0.37 -0.08 -0.22 0.00 -0.47 0.00 0.00 61.79 60.66 1y18 h SER 202 Cb 1.18 -0.24 -0.23 0.00 -0.31 0.00 0.00 62.40 62.80 1y18 h SER 202 CO 0.59 0.76 -0.72 -0.44 -0.87 0.00 0.00 176.83 176.16 1y18 s SER 203 N -6.36 0.40 0.34 4.97 0.01 -1.26 -5.13 113.70 106.66 1y18 s SER 203 Ca -0.11 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 56.45 1y18 s SER 203 Cb 0.17 0.06 -0.12 0.00 0.21 0.00 0.00 66.02 66.33 1y18 s SER 203 CO 0.80 -0.20 1.37 -0.81 0.41 0.00 0.00 173.24 174.81 1y18 n PRO 204 N 1.88 2.29 -3.61 12.44 -0.04 -1.26 -4.95 135.00 141.74 1y18 n PRO 204 Ca -0.21 0.80 -0.37 0.00 -0.04 0.00 0.00 63.50 63.68 1y18 n PRO 204 Cb 0.56 -2.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1y18 n PRO 204 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1y18 s VAL 205 N -0.92 5.25 -0.10 0.52 1.01 -0.19 -4.88 120.40 121.10 1y18 s VAL 205 Ca 0.57 0.57 0.03 0.00 0.00 0.00 0.00 61.98 63.14 1y18 s VAL 205 Cb -0.55 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1y18 s VAL 205 CO 0.60 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 175.16 1y18 s THR 206 N -0.52 1.65 -0.10 3.92 2.01 -1.26 0.10 115.64 121.44 1y18 s THR 206 Ca 0.19 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1y18 s THR 206 Cb -0.14 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 1y18 s THR 206 CO 0.08 0.47 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.74 1y18 s LYS 207 N 0.73 3.05 0.33 4.92 -0.14 -0.48 -4.94 119.74 123.20 1y18 s LYS 207 Ca -0.11 -0.81 -0.07 0.00 -1.36 0.00 0.00 55.97 53.62 1y18 s LYS 207 Cb -0.16 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.61 1y18 s LYS 207 CO 0.02 0.25 0.52 -1.54 -0.76 0.00 0.00 175.35 173.84 1y18 s SER 208 N 0.19 0.54 0.03 2.83 1.04 -1.26 -0.08 113.70 117.00 1y18 s SER 208 Ca -0.12 -1.31 -0.27 0.00 0.48 0.00 0.00 55.95 54.73 1y18 s SER 208 Cb -0.16 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1y18 s SER 208 CO 0.06 -1.32 0.63 0.72 0.98 0.00 0.00 173.24 174.32 1y18 s PHE 209 N -3.16 -0.59 -0.25 5.02 -0.12 -0.30 -4.99 117.98 113.58 1y18 s PHE 209 Ca 0.27 0.78 -0.10 0.00 -0.05 0.00 0.00 56.93 57.82 1y18 s PHE 209 Cb -0.01 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1y18 s PHE 209 CO 0.16 -0.70 0.15 -0.80 -0.05 0.00 0.00 175.22 173.99 1y18 s ASN 210 N -1.82 5.94 0.06 1.98 0.01 -1.26 -0.98 114.94 118.86 1y18 s ASN 210 Ca -0.06 0.03 -0.37 0.00 -0.71 0.00 0.00 52.86 51.74 1y18 s ASN 210 Cb -0.00 -2.08 -0.17 0.00 0.41 0.00 0.00 41.25 39.41 1y18 s ASN 210 CO 0.01 0.02 1.37 -1.14 -1.51 0.00 0.00 177.10 175.84 1y18 n ARG 211 N 4.61 1.13 0.00 -0.60 0.63 0.48 -0.81 116.66 122.09 1y18 n ARG 211 Ca -0.15 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1y18 n ARG 211 Cb 0.52 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.38 1y18 n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y18 n GLY 212 N 2.63 1.81 3.56 5.14 0.00 -1.26 -4.93 105.19 112.14 1y18 n GLY 212 Ca 0.19 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1y18 n GLY 212 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y18 s GLU 213 N 0.00 2.99 0.00 1.61 2.02 0.01 -5.29 118.70 120.03 1y18 s GLU 213 Ca 0.00 -0.80 0.12 0.00 0.02 0.00 0.00 54.97 54.31 1y18 s GLU 213 Cb 0.00 -5.22 0.72 0.00 0.10 0.00 0.00 34.13 29.73 1y18 s GLU 213 CO 0.00 -3.00 1.15 0.00 0.02 0.00 0.00 175.26 173.43