#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2a s LYS 2 N 0.00 1.88 -0.31 2.12 1.02 -0.61 -0.91 119.74 122.94 1n2a s LYS 2 Ca 0.00 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.27 1n2a s LYS 2 Cb 0.00 -1.63 0.01 0.00 -0.52 0.00 0.00 37.83 35.69 1n2a s LYS 2 CO 0.00 0.25 0.11 -1.17 -0.92 0.00 0.00 175.35 173.63 1n2a s LEU 3 N 0.03 4.03 -0.17 3.17 2.96 -0.14 -1.51 118.68 127.06 1n2a s LEU 3 Ca -0.04 -0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 52.88 1n2a s LEU 3 Cb -0.12 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 1n2a s LEU 3 CO 0.02 -0.22 1.03 -0.36 -1.32 0.00 0.00 176.35 175.51 1n2a s PHE 4 N 1.53 3.42 0.17 5.38 0.08 -0.04 -1.14 117.98 127.38 1n2a s PHE 4 Ca 0.03 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.52 1n2a s PHE 4 Cb -0.17 -3.24 -0.01 0.00 -0.57 0.00 0.00 43.02 39.03 1n2a s PHE 4 CO 0.04 -0.38 0.25 1.52 -0.10 0.00 0.00 175.22 176.55 1n2a s TYR 5 N 2.62 0.51 -0.05 0.36 1.13 -0.67 -2.54 117.35 118.71 1n2a s TYR 5 Ca 0.46 -0.86 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 1n2a s TYR 5 Cb -0.17 -0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.56 1n2a s TYR 5 CO 0.12 -0.70 -0.15 0.21 -2.51 0.00 0.00 175.55 172.52 1n2a s LYS 6 N -3.99 1.74 -0.16 -3.49 2.20 -1.26 -1.14 119.74 113.64 1n2a s LYS 6 Ca 0.20 -0.51 -0.41 0.00 -0.36 0.00 0.00 55.97 54.89 1n2a s LYS 6 Cb 0.04 -1.46 -0.18 0.00 -1.51 0.00 0.00 37.83 34.71 1n2a s LYS 6 CO 0.01 0.13 1.42 -2.30 -0.36 0.00 0.00 175.35 174.25 1n2a n PRO 7 N 3.47 0.56 -0.23 4.03 -0.02 -1.26 -1.42 135.00 140.13 1n2a n PRO 7 Ca -0.20 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1n2a n PRO 7 Cb 0.53 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1n2a n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2a n GLY 8 N 2.96 1.63 3.60 -1.23 0.00 -1.26 -5.01 105.19 105.87 1n2a n GLY 8 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1n2a n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2a s ALA 9 N -2.51 0.67 0.56 4.61 0.00 -0.51 -4.90 121.76 119.68 1n2a s ALA 9 Ca 0.00 -1.03 0.23 0.00 0.00 0.00 0.00 51.96 51.17 1n2a s ALA 9 Cb 0.00 -2.85 1.55 0.00 0.00 0.00 0.00 23.12 21.81 1n2a s ALA 9 CO 0.00 -3.61 2.18 0.00 0.00 0.00 0.00 175.76 174.34 1n2a h SER 11 N 0.00 0.00 -0.01 0.00 4.64 -1.87 -1.67 113.55 114.64 1n2a h SER 11 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1n2a h SER 11 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1n2a h SER 11 CO -0.00 0.00 0.01 0.25 -0.87 0.00 0.00 176.83 176.22 1n2a h LEU 12 N 0.00 0.00 -0.32 5.97 5.85 -1.52 -1.46 115.31 123.83 1n2a h LEU 12 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1n2a h LEU 12 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1n2a h LEU 12 CO 0.00 0.00 0.05 0.00 -0.34 0.00 0.00 178.44 178.15 1n2a h ALA 13 N 1.99 0.42 -0.32 1.25 0.00 -1.54 0.57 119.26 121.63 1n2a h ALA 13 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1n2a h ALA 13 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1n2a h ALA 13 CO -0.00 0.13 -0.13 0.77 0.00 0.00 0.00 179.25 180.01 1n2a h SER 14 N 0.36 0.54 -0.13 0.00 0.02 -1.63 -2.14 113.55 110.57 1n2a h SER 14 Ca 0.10 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1n2a h SER 14 Cb 0.36 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1n2a h SER 14 CO 0.01 0.71 0.05 -0.74 -1.14 0.00 0.00 176.83 175.71 1n2a h HIS 15 N 0.51 0.21 -0.87 3.45 6.17 -0.98 0.11 115.15 123.74 1n2a h HIS 15 Ca 0.09 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1n2a h HIS 15 Cb 0.53 -0.06 -0.05 0.00 2.52 0.00 0.00 27.41 30.35 1n2a h HIS 15 CO 0.02 0.30 0.57 0.82 0.71 0.00 0.00 177.93 180.35 1n2a h ILE 16 N 0.05 1.17 -0.61 6.26 2.04 -0.81 -2.12 117.51 123.48 1n2a h ILE 16 Ca 0.04 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 1n2a h ILE 16 Cb 0.19 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1n2a h ILE 16 CO -0.00 0.20 -0.00 0.74 0.00 0.00 0.00 178.15 179.09 1n2a h THR 17 N 1.12 1.27 -0.43 -0.27 2.02 -1.08 0.03 112.91 115.56 1n2a h THR 17 Ca 0.34 -1.16 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1n2a h THR 17 Cb -0.04 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1n2a h THR 17 CO -0.10 0.42 0.18 -0.07 0.37 0.00 0.00 175.52 176.32 1n2a h LEU 18 N 0.99 0.21 -0.44 2.58 3.38 -0.51 0.81 115.31 122.34 1n2a h LEU 18 Ca 0.17 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1n2a h LEU 18 Cb 0.57 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1n2a h LEU 18 CO 0.03 0.16 -0.20 0.03 0.09 0.00 0.00 178.44 178.56 1n2a h ARG 19 N 0.36 0.90 -0.07 1.13 3.08 -0.71 -2.81 114.38 116.25 1n2a h ARG 19 Ca 0.20 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1n2a h ARG 19 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1n2a h ARG 19 CO -0.18 1.04 -0.16 0.93 -1.07 0.00 0.00 179.97 180.53 1n2a h GLU 20 N 0.73 0.12 0.00 0.04 4.39 -0.71 -2.31 114.58 116.84 1n2a h GLU 20 Ca 0.10 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1n2a h GLU 20 Cb 0.76 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1n2a h GLU 20 CO 0.06 0.29 0.00 -1.13 -1.16 0.00 0.00 179.01 177.07 1n2a n SER 21 N -4.29 0.00 -0.06 1.42 3.41 0.25 -4.94 113.62 109.41 1n2a n SER 21 Ca -0.02 0.24 -0.01 0.00 -0.26 0.00 0.00 58.87 58.83 1n2a n SER 21 Cb 0.26 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1n2a n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n2a n GLY 22 N 1.34 0.46 3.85 5.00 0.00 -0.87 -4.97 105.19 110.01 1n2a n GLY 22 Ca 0.10 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1n2a n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n2a s LYS 23 N -1.62 3.87 0.41 1.61 1.02 -1.16 -5.06 119.74 118.81 1n2a s LYS 23 Ca 0.00 0.34 -0.23 0.00 0.02 0.00 0.00 55.97 56.09 1n2a s LYS 23 Cb 0.00 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 1n2a s LYS 23 CO 0.00 0.53 1.03 -0.51 -0.92 0.00 0.00 175.35 175.49 1n2a s ASP 24 N -1.69 6.73 0.21 2.83 -0.00 -1.26 -4.75 116.67 118.74 1n2a s ASP 24 Ca 0.34 1.98 -0.23 0.00 -0.00 0.00 0.00 52.55 54.65 1n2a s ASP 24 Cb -0.15 -2.58 0.04 0.00 -0.00 0.00 0.00 42.92 40.24 1n2a s ASP 24 CO 0.18 -0.51 0.73 0.72 -0.00 0.00 0.00 175.17 176.30 1n2a s PHE 25 N -1.75 -0.28 -0.10 4.23 -0.71 -1.26 -4.65 117.98 113.45 1n2a s PHE 25 Ca 0.59 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.43 1n2a s PHE 25 Cb -0.20 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1n2a s PHE 25 CO 0.25 -1.04 -0.13 0.99 -1.34 0.00 0.00 175.22 173.95 1n2a s THR 26 N -3.74 3.09 -0.18 -4.49 2.01 -0.08 -5.00 115.64 107.25 1n2a s THR 26 Ca 0.08 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 1n2a s THR 26 Cb -0.04 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1n2a s THR 26 CO 0.00 0.55 0.62 -0.76 -0.69 0.00 0.00 174.62 174.34 1n2a s LEU 27 N -0.09 4.17 -0.24 4.42 1.43 -1.26 -0.97 118.68 126.15 1n2a s LEU 27 Ca -0.02 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1n2a s LEU 27 Cb -0.14 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.24 1n2a s LEU 27 CO 0.04 -0.22 -0.11 -0.69 0.23 0.00 0.00 176.35 175.59 1n2a s VAL 28 N 1.66 2.45 0.26 -1.59 1.01 -0.29 -4.95 120.40 118.94 1n2a s VAL 28 Ca 0.29 -1.19 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 1n2a s VAL 28 Cb -0.16 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1n2a s VAL 28 CO 0.11 0.21 0.83 -0.94 0.00 0.00 0.00 175.10 175.31 1n2a s SER 29 N 1.25 7.22 -0.08 3.32 1.04 -1.26 -1.67 113.70 123.51 1n2a s SER 29 Ca -0.01 1.62 0.05 0.00 0.48 0.00 0.00 55.95 58.09 1n2a s SER 29 Cb -0.17 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 1n2a s SER 29 CO -0.07 0.01 -0.24 -0.69 0.98 0.00 0.00 173.24 173.23 1n2a s VAL 30 N -1.52 2.13 -0.45 5.02 1.01 -0.29 -4.05 120.40 122.25 1n2a s VAL 30 Ca 0.45 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1n2a s VAL 30 Cb -0.18 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1n2a s VAL 30 CO 0.23 0.56 1.15 -0.62 0.00 0.00 0.00 175.10 176.42 1n2a s ASP 31 N 0.13 6.66 0.22 3.32 -1.08 0.10 -4.68 116.67 121.34 1n2a s ASP 31 Ca -0.12 0.58 0.11 0.00 -0.52 0.00 0.00 52.55 52.60 1n2a s ASP 31 Cb -0.16 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1n2a s ASP 31 CO 0.07 -1.21 1.44 -0.07 0.52 0.00 0.00 175.17 175.91 1n2a h LEU 32 N 11.12 0.00 -0.22 -1.34 3.38 -1.96 0.13 115.31 126.42 1n2a h LEU 32 Ca -0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1n2a h LEU 32 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1n2a h LEU 32 CO 1.11 0.71 0.13 -0.03 0.09 0.00 0.00 178.44 180.45 1n2a h MET 33 N 0.00 0.25 -0.02 1.13 4.05 -1.97 -3.26 114.93 115.11 1n2a h MET 33 Ca -0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1n2a h MET 33 Cb 1.45 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1n2a h MET 33 CO 0.09 0.17 -0.15 1.17 0.23 0.00 0.00 176.91 178.42 1n2a n LYS 34 N -4.97 1.58 -3.98 0.39 4.81 -1.21 -4.97 118.16 109.82 1n2a n LYS 34 Ca -0.03 -1.29 -0.27 0.00 -0.87 0.00 0.00 58.31 55.85 1n2a n LYS 34 Cb 0.04 -1.34 -0.01 0.00 0.02 0.00 0.00 35.03 33.74 1n2a n LYS 34 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1n2a n LYS 35 N 0.56 -3.64 -4.27 1.64 4.01 0.41 -4.94 118.16 111.94 1n2a n LYS 35 Ca 0.09 0.44 -0.20 0.00 -0.51 0.00 0.00 58.31 58.13 1n2a n LYS 35 Cb 0.42 -4.79 -0.13 0.00 -0.51 0.00 0.00 35.03 30.03 1n2a n LYS 35 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1n2a s ARG 36 N -6.58 0.92 0.88 1.97 0.52 -0.96 -1.67 118.95 114.03 1n2a s ARG 36 Ca 0.20 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 1n2a s ARG 36 Cb -0.11 -0.96 0.14 0.00 0.52 0.00 0.00 34.95 34.54 1n2a s ARG 36 CO 0.88 0.23 1.24 -0.51 0.02 0.00 0.00 175.30 177.16 1n2a s LEU 37 N -1.52 2.64 0.26 2.53 1.43 -1.06 0.03 118.68 122.99 1n2a s LEU 37 Ca 0.01 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1n2a s LEU 37 Cb -0.09 -2.74 0.33 0.00 0.03 0.00 0.00 46.19 43.72 1n2a s LEU 37 CO 0.02 -2.31 1.82 -0.33 0.23 0.00 0.00 176.35 175.78 1n2a h GLU 38 N -1.32 0.97 0.00 1.70 5.08 -1.92 -2.97 114.58 116.12 1n2a h GLU 38 Ca -0.45 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1n2a h GLU 38 Cb 1.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1n2a h GLU 38 CO 0.51 0.82 0.00 0.27 -1.00 0.00 0.00 179.01 179.60 1n2a n ASN 39 N -4.29 0.00 0.00 1.42 2.04 -1.26 -4.86 115.26 108.31 1n2a n ASN 39 Ca 0.05 -1.35 0.00 0.00 -0.44 0.00 0.00 54.58 52.84 1n2a n ASN 39 Cb 0.20 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.45 1n2a n ASN 39 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1n2a n GLY 40 N 0.68 2.45 3.65 4.83 0.00 -1.12 -5.04 105.19 110.64 1n2a n GLY 40 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1n2a n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n2a n ASP 41 N 0.00 0.97 -4.62 1.61 9.92 -1.26 -4.70 116.55 118.46 1n2a n ASP 41 Ca 0.00 0.72 -0.43 0.00 -0.53 0.00 0.00 54.79 54.55 1n2a n ASP 41 Cb 0.00 -1.45 -0.02 0.00 -0.64 0.00 0.00 41.12 39.01 1n2a n ASP 41 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1n2a s ASP 42 N -1.57 6.68 0.32 -2.24 2.15 -1.26 -2.57 116.67 118.17 1n2a s ASP 42 Ca 0.76 1.01 0.05 0.00 0.43 0.00 0.00 52.55 54.81 1n2a s ASP 42 Cb -0.36 -2.54 0.54 0.00 -0.30 0.00 0.00 42.92 40.26 1n2a s ASP 42 CO 0.47 -1.11 1.79 0.22 -0.17 0.00 0.00 175.17 176.37 1n2a h TYR 43 N 9.20 0.41 -0.99 -5.34 3.20 -1.68 -2.04 116.97 119.75 1n2a h TYR 43 Ca -0.25 -0.07 0.29 0.00 3.14 0.00 0.00 58.73 61.83 1n2a h TYR 43 Cb 1.08 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 1n2a h TYR 43 CO 0.90 0.57 0.71 0.74 -1.64 0.00 0.00 178.16 179.44 1n2a h PHE 44 N 0.34 0.01 0.00 -3.82 0.05 -1.76 0.19 116.94 111.95 1n2a h PHE 44 Ca 0.06 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.80 1n2a h PHE 44 Cb 0.58 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 1n2a h PHE 44 CO 0.01 0.00 -0.21 0.00 -0.18 0.00 0.00 178.31 177.93 1n2a h ALA 45 N 1.51 1.05 0.00 2.45 0.00 -1.76 -2.77 119.26 119.73 1n2a h ALA 45 Ca 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1n2a h ALA 45 Cb 1.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1n2a h ALA 45 CO -0.01 0.27 -0.26 0.28 0.00 0.00 0.00 179.25 179.53 1n2a h VAL 46 N 0.00 0.00 -3.71 0.00 2.07 -0.79 -3.45 116.25 110.37 1n2a h VAL 46 Ca -0.00 -0.86 -0.68 0.00 0.82 0.00 0.00 66.70 65.97 1n2a h VAL 46 Cb 0.70 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 30.13 1n2a h VAL 46 CO 0.03 0.00 -0.68 0.21 0.02 0.00 0.00 177.57 177.15 1n2a s ASN 47 N -5.34 4.93 0.60 0.57 2.47 -0.62 -5.01 114.94 112.55 1n2a s ASN 47 Ca -0.07 -1.50 0.31 0.00 0.42 0.00 0.00 52.86 52.02 1n2a s ASN 47 Cb 0.01 -1.72 1.84 0.00 -1.45 0.00 0.00 41.25 39.93 1n2a s ASN 47 CO 0.11 -0.32 2.20 -0.65 -3.72 0.00 0.00 177.10 174.72 1n2a h PRO 48 N 7.96 0.00 0.00 0.43 0.11 -1.75 -0.62 132.00 138.13 1n2a h PRO 48 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1n2a h PRO 48 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1n2a h PRO 48 CO 0.56 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.98 1n2a n LYS 49 N -3.69 0.14 -1.73 1.05 5.02 -1.26 -4.93 118.16 112.76 1n2a n LYS 49 Ca -0.01 0.27 -0.16 0.00 -2.02 0.00 0.00 58.31 56.39 1n2a n LYS 49 Cb 0.18 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 1n2a n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n2a n GLY 50 N 0.58 0.99 3.58 0.72 0.00 -0.24 -5.01 105.19 105.80 1n2a n GLY 50 Ca 0.04 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1n2a n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n2a s GLN 51 N -3.80 2.07 0.10 1.61 -0.21 -1.26 -5.01 119.66 113.17 1n2a s GLN 51 Ca 0.00 -1.46 0.02 0.00 0.02 0.00 0.00 55.36 53.95 1n2a s GLN 51 Cb 0.00 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 1n2a s GLN 51 CO 0.00 0.38 0.17 0.14 -2.12 0.00 0.00 175.29 173.85 1n2a s VAL 52 N -2.17 4.92 0.60 1.09 -7.23 -1.26 -4.46 120.40 111.88 1n2a s VAL 52 Ca 0.29 -0.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.68 1n2a s VAL 52 Cb -0.07 -3.44 -0.00 0.00 0.56 0.00 0.00 36.38 33.43 1n2a s VAL 52 CO 0.17 0.04 0.93 -2.16 -0.31 0.00 0.00 175.10 173.78 1n2a s PRO 53 N -2.73 3.07 0.01 4.82 0.04 -1.26 -4.57 135.00 134.37 1n2a s PRO 53 Ca 0.32 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.56 1n2a s PRO 53 Cb -0.12 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 1n2a s PRO 53 CO 0.25 -0.68 -0.03 0.00 0.04 0.00 0.00 177.00 176.58 1n2a s ALA 54 N -3.04 0.19 -0.20 8.56 0.00 -1.05 -4.22 121.76 122.00 1n2a s ALA 54 Ca 0.54 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1n2a s ALA 54 Cb -0.11 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1n2a s ALA 54 CO 0.47 -0.02 -0.17 -1.17 0.00 0.00 0.00 175.76 174.87 1n2a s LEU 55 N -0.56 2.39 -0.30 0.00 2.96 -0.11 -0.86 118.68 122.20 1n2a s LEU 55 Ca -0.04 -0.81 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 1n2a s LEU 55 Cb -0.04 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1n2a s LEU 55 CO -0.00 -0.05 0.17 -0.22 -1.32 0.00 0.00 176.35 174.93 1n2a s LEU 56 N 1.26 4.08 0.66 -0.68 0.20 -0.57 -0.77 118.68 122.86 1n2a s LEU 56 Ca 0.02 -0.30 -0.10 0.00 0.69 0.00 0.00 54.13 54.44 1n2a s LEU 56 Cb -0.15 -2.06 0.00 0.00 -0.43 0.00 0.00 46.19 43.56 1n2a s LEU 56 CO -0.11 -0.14 1.03 -0.76 -0.29 0.00 0.00 176.35 176.08 1n2a s LEU 57 N 1.68 3.06 0.51 -0.68 1.43 0.17 -1.57 118.68 123.28 1n2a s LEU 57 Ca 0.06 1.09 0.18 0.00 -1.03 0.00 0.00 54.13 54.43 1n2a s LEU 57 Cb -0.17 -3.95 1.25 0.00 0.03 0.00 0.00 46.19 43.36 1n2a s LEU 57 CO 0.08 -1.16 2.08 0.44 0.23 0.00 0.00 176.35 178.02 1n2a h ASP 58 N -0.45 0.07 -0.29 2.29 3.45 -1.96 -1.39 116.42 118.14 1n2a h ASP 58 Ca -0.45 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 1n2a h ASP 58 Cb 1.24 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1n2a h ASP 58 CO 0.63 0.05 0.00 -0.90 -1.57 0.00 0.00 179.24 177.45 1n2a n ASP 59 N -4.48 1.70 0.00 6.45 3.85 -1.26 -4.92 116.55 117.90 1n2a n ASP 59 Ca 0.03 -1.92 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 1n2a n ASP 59 Cb 0.28 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.86 1n2a n ASP 59 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n2a n GLY 60 N 1.04 1.23 3.71 6.12 0.00 -0.52 -5.06 105.19 111.71 1n2a n GLY 60 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1n2a n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n2a n THR 61 N -2.00 0.46 -3.89 2.61 -1.04 -1.26 -4.76 114.28 104.40 1n2a n THR 61 Ca 0.00 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.54 1n2a n THR 61 Cb 0.00 -1.80 -0.13 0.00 -1.82 0.00 0.00 70.33 66.58 1n2a n THR 61 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1n2a s LEU 62 N 0.44 3.15 -0.14 -4.42 1.98 -1.26 -0.66 118.68 117.78 1n2a s LEU 62 Ca 0.71 -0.29 -0.04 0.00 -2.89 0.00 0.00 54.13 51.63 1n2a s LEU 62 Cb -0.56 -1.82 -0.03 0.00 0.66 0.00 0.00 46.19 44.44 1n2a s LEU 62 CO 0.41 -0.01 -0.01 -0.76 -1.89 0.00 0.00 176.35 174.09 1n2a s LEU 63 N 1.42 3.44 0.46 -0.68 1.02 0.05 -4.98 118.68 119.41 1n2a s LEU 63 Ca 0.05 -0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.22 1n2a s LEU 63 Cb -0.15 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.20 1n2a s LEU 63 CO 0.00 0.23 0.01 0.42 0.02 0.00 0.00 176.35 177.03 1n2a s THR 64 N 0.01 1.55 0.01 5.49 -4.23 -1.26 -0.94 115.64 116.27 1n2a s THR 64 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1n2a s THR 64 Cb -0.13 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1n2a s THR 64 CO 0.02 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.48 1n2a n GLU 65 N -1.10 -0.51 -0.23 3.99 -0.58 -1.26 -4.45 120.64 116.50 1n2a n GLU 65 Ca -0.12 0.82 -0.00 0.00 -0.42 0.00 0.00 57.16 57.44 1n2a n GLU 65 Cb 0.67 -0.82 0.11 0.00 -0.57 0.00 0.00 31.44 30.83 1n2a n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1n2a h GLY 66 N 0.41 1.00 0.65 0.62 0.00 -1.93 -0.49 103.07 103.34 1n2a h GLY 66 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.17 1n2a h GLY 66 CO 0.00 0.11 0.55 -2.08 0.00 0.00 0.00 176.54 175.12 1n2a h VAL 67 N 0.63 1.01 -0.28 4.60 2.07 -1.96 0.66 116.25 122.97 1n2a h VAL 67 Ca 0.32 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1n2a h VAL 67 Cb 0.27 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1n2a h VAL 67 CO -0.22 0.18 -0.21 0.00 0.02 0.00 0.00 177.57 177.34 1n2a h ALA 68 N 1.44 0.40 -0.64 1.67 0.00 -1.39 -2.03 119.26 118.72 1n2a h ALA 68 Ca 0.41 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1n2a h ALA 68 Cb 0.25 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1n2a h ALA 68 CO -0.20 0.35 0.35 0.82 0.00 0.00 0.00 179.25 180.57 1n2a h ILE 69 N 0.37 0.96 -0.30 0.00 2.04 -0.91 -1.17 117.51 118.50 1n2a h ILE 69 Ca 0.05 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 1n2a h ILE 69 Cb 0.75 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1n2a h ILE 69 CO 0.06 0.12 -0.35 0.24 0.00 0.00 0.00 178.15 178.21 1n2a h MET 70 N 0.65 0.67 -0.35 2.37 2.86 -0.81 -1.23 114.93 119.08 1n2a h MET 70 Ca 0.29 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1n2a h MET 70 Cb 0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1n2a h MET 70 CO -0.18 0.92 -0.17 1.96 1.06 0.00 0.00 176.91 180.49 1n2a h GLN 71 N 0.56 0.73 -0.30 1.72 4.20 -1.20 -1.50 115.11 119.32 1n2a h GLN 71 Ca 0.06 -0.32 0.05 0.00 0.06 0.00 0.00 58.65 58.49 1n2a h GLN 71 Cb 0.86 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 1n2a h GLN 71 CO 0.07 0.93 0.02 -0.92 -0.67 0.00 0.00 178.83 178.26 1n2a h TYR 72 N 0.51 0.02 -0.59 2.96 5.03 -1.03 -0.34 116.97 123.54 1n2a h TYR 72 Ca 0.08 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.31 1n2a h TYR 72 Cb 0.72 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 1n2a h TYR 72 CO 0.06 -0.03 -0.03 -0.07 -1.32 0.00 0.00 178.16 176.77 1n2a h LEU 73 N 0.11 1.05 -0.60 2.82 3.38 -1.11 -2.81 115.31 118.15 1n2a h LEU 73 Ca 0.14 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1n2a h LEU 73 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1n2a h LEU 73 CO -0.22 1.11 -0.02 0.00 0.09 0.00 0.00 178.44 179.41 1n2a h ALA 74 N 0.97 0.81 0.00 1.53 0.00 -0.98 -2.95 119.26 118.65 1n2a h ALA 74 Ca 0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1n2a h ALA 74 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1n2a h ALA 74 CO 0.04 0.67 -0.25 -0.44 0.00 0.00 0.00 179.25 179.27 1n2a h ASP 75 N 0.97 0.00 0.79 0.00 3.45 -1.00 -2.79 116.42 117.84 1n2a h ASP 75 Ca 0.17 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1n2a h ASP 75 Cb 0.58 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1n2a h ASP 75 CO 0.03 0.25 -0.01 0.77 -1.57 0.00 0.00 179.24 178.71 1n2a h SER 76 N 0.00 0.00 -2.07 6.45 4.64 -1.31 -3.35 113.55 117.91 1n2a h SER 76 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1n2a h SER 76 Cb 0.59 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.28 1n2a h SER 76 CO 0.03 0.01 -0.97 1.33 -0.87 0.00 0.00 176.83 176.36 1n2a n VAL 77 N -3.11 0.42 0.27 0.95 0.24 -1.05 -4.99 118.33 111.05 1n2a n VAL 77 Ca -0.00 -4.53 0.11 0.00 -2.04 0.00 0.00 64.34 57.87 1n2a n VAL 77 Cb 0.26 -1.61 0.74 0.00 -1.47 0.00 0.00 33.84 31.76 1n2a n VAL 77 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1n2a h PRO 78 N 3.75 0.00 0.00 7.34 0.13 -1.71 -1.38 132.00 140.12 1n2a h PRO 78 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1n2a h PRO 78 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1n2a h PRO 78 CO 0.58 0.00 -0.15 -0.44 -0.23 0.00 0.00 178.00 177.77 1n2a h ASP 79 N 0.00 0.00 1.12 1.44 3.32 -1.94 -2.82 116.42 117.53 1n2a h ASP 79 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1n2a h ASP 79 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1n2a h ASP 79 CO -0.00 0.15 0.00 -0.09 -1.72 0.00 0.00 179.24 177.58 1n2a h ARG 80 N 0.00 0.00 -6.00 3.56 9.65 -1.62 -3.47 114.38 116.50 1n2a h ARG 80 Ca -0.00 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.43 1n2a h ARG 80 Cb 0.35 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1n2a h ARG 80 CO 0.02 0.00 -0.71 1.04 2.80 0.00 0.00 179.97 183.12 1n2a n GLN 81 N -2.39 -5.94 0.01 0.20 6.02 -1.07 -4.87 117.38 109.35 1n2a n GLN 81 Ca 0.03 0.67 0.09 0.00 -0.01 0.00 0.00 57.00 57.79 1n2a n GLN 81 Cb 0.33 -5.59 0.40 0.00 1.02 0.00 0.00 30.24 26.40 1n2a n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n2a n LEU 82 N -4.66 0.08 -3.62 1.08 4.77 -1.26 -4.63 117.00 108.75 1n2a n LEU 82 Ca 0.02 0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 1n2a n LEU 82 Cb 0.54 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1n2a n LEU 82 CO 0.69 -0.21 0.41 -0.22 -1.33 0.00 0.00 177.39 176.73 1n2a s LEU 83 N -3.16 -0.88 1.00 2.23 2.96 -1.26 -2.01 118.68 117.55 1n2a s LEU 83 Ca 0.09 1.34 -0.11 0.00 -0.22 0.00 0.00 54.13 55.22 1n2a s LEU 83 Cb 0.12 2.19 0.19 0.00 0.50 0.00 0.00 46.19 49.19 1n2a s LEU 83 CO 0.35 -0.20 1.09 0.00 -1.32 0.00 0.00 176.35 176.27 1n2a s ALA 84 N 1.93 0.80 0.65 5.97 0.00 -1.26 -4.95 121.76 124.90 1n2a s ALA 84 Ca -0.08 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 1n2a s ALA 84 Cb -0.06 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1n2a s ALA 84 CO -0.19 -3.06 1.17 -2.14 0.00 0.00 0.00 175.76 171.55 1n2a s PRO 85 N -4.63 2.73 0.27 0.00 0.02 -1.26 -4.64 135.00 127.48 1n2a s PRO 85 Ca 0.67 1.65 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 1n2a s PRO 85 Cb -0.23 -1.92 -0.15 0.00 0.02 0.00 0.00 34.50 32.23 1n2a s PRO 85 CO 0.60 -1.36 0.74 1.55 -0.33 0.00 0.00 177.00 178.20 1n2a n VAL 86 N -2.13 1.95 -0.18 3.83 3.14 -1.26 -1.61 118.33 122.07 1n2a n VAL 86 Ca 0.12 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1n2a n VAL 86 Cb 0.51 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 1n2a n VAL 86 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1n2a n ASN 87 N 1.57 0.00 -4.72 6.55 5.03 -1.26 -4.99 115.26 117.43 1n2a n ASN 87 Ca 0.13 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.18 1n2a n ASN 87 Cb 0.30 -0.79 -0.04 0.00 -1.02 0.00 0.00 39.78 38.23 1n2a n ASN 87 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1n2a s SER 88 N -2.97 7.19 0.28 6.41 1.04 -0.63 -4.96 113.70 120.05 1n2a s SER 88 Ca 0.00 1.43 0.01 0.00 0.48 0.00 0.00 55.95 57.87 1n2a s SER 88 Cb 0.00 -2.48 0.57 0.00 0.10 0.00 0.00 66.02 64.21 1n2a s SER 88 CO 0.00 -0.12 1.81 -0.29 0.98 0.00 0.00 173.24 175.62 1n2a h ILE 89 N 4.55 0.84 0.00 -1.02 6.09 -1.94 -1.40 117.51 124.63 1n2a h ILE 89 Ca -0.42 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 62.77 1n2a h ILE 89 Cb 1.21 -0.10 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 1n2a h ILE 89 CO 0.74 0.16 -0.03 0.77 -3.07 0.00 0.00 178.15 176.71 1n2a h SER 90 N 0.87 0.00 -0.53 2.19 4.64 -1.93 -0.49 113.55 118.30 1n2a h SER 90 Ca 0.50 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.89 1n2a h SER 90 Cb 0.59 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 1n2a h SER 90 CO -0.30 0.03 0.20 -0.09 -0.87 0.00 0.00 176.83 175.80 1n2a h ARG 91 N 0.00 0.37 0.00 4.77 2.43 -1.51 -1.32 114.38 119.11 1n2a h ARG 91 Ca -0.00 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1n2a h ARG 91 Cb 0.06 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1n2a h ARG 91 CO 0.00 0.24 -0.60 1.88 -1.51 0.00 0.00 179.97 179.98 1n2a h TYR 92 N 0.38 0.00 -0.40 2.20 -1.99 -1.14 -0.86 116.97 115.16 1n2a h TYR 92 Ca 0.26 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 1n2a h TYR 92 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 1n2a h TYR 92 CO -0.16 0.60 0.03 0.87 -0.00 0.00 0.00 178.16 179.51 1n2a h LYS 93 N 0.00 0.68 -0.53 4.88 1.79 -1.10 0.16 116.57 122.45 1n2a h LYS 93 Ca -0.01 -0.20 0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1n2a h LYS 93 Cb 1.45 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.97 1n2a h LYS 93 CO 0.08 0.75 0.18 1.15 -1.08 0.00 0.00 179.45 180.53 1n2a h THR 94 N 0.52 0.80 -0.70 -0.16 2.02 -0.87 -1.94 112.91 112.58 1n2a h THR 94 Ca 0.12 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1n2a h THR 94 Cb 0.42 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1n2a h THR 94 CO 0.01 0.06 0.35 0.40 0.37 0.00 0.00 175.52 176.72 1n2a h ILE 95 N 0.36 1.22 -0.09 3.11 1.08 -0.94 -0.90 117.51 121.34 1n2a h ILE 95 Ca 0.26 -0.59 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1n2a h ILE 95 Cb 0.30 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1n2a h ILE 95 CO -0.27 0.25 0.01 -0.08 -0.69 0.00 0.00 178.15 177.37 1n2a h GLU 96 N 0.98 0.04 -0.49 2.37 4.81 -0.38 -1.40 114.58 120.51 1n2a h GLU 96 Ca 0.24 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1n2a h GLU 96 Cb 0.07 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1n2a h GLU 96 CO -0.03 0.03 0.23 -1.49 -0.73 0.00 0.00 179.01 177.01 1n2a h TRP 97 N 0.04 0.41 -0.65 0.92 4.06 -0.99 -1.28 115.95 118.46 1n2a h TRP 97 Ca 0.04 0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.09 1n2a h TRP 97 Cb 0.04 -0.11 -0.06 0.00 -1.00 0.00 0.00 29.16 28.03 1n2a h TRP 97 CO -0.12 0.18 0.33 -0.07 -3.56 0.00 0.00 178.44 175.21 1n2a h LEU 98 N 0.44 0.45 -0.31 -4.49 3.38 -0.88 -0.66 115.31 113.24 1n2a h LEU 98 Ca 0.22 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 1n2a h LEU 98 Cb 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1n2a h LEU 98 CO -0.18 0.28 -0.61 -1.13 0.09 0.00 0.00 178.44 176.89 1n2a h ASN 99 N 0.60 0.89 -0.20 -0.43 -1.24 -0.99 -0.28 115.58 113.93 1n2a h ASN 99 Ca 0.31 -0.50 0.03 0.00 0.71 0.00 0.00 56.30 56.84 1n2a h ASN 99 Cb 0.27 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 1n2a h ASN 99 CO -0.23 1.29 0.03 0.22 -1.29 0.00 0.00 177.43 177.45 1n2a h TYR 100 N 0.58 0.04 -0.25 0.67 5.03 -0.92 -0.05 116.97 122.07 1n2a h TYR 100 Ca -0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1n2a h TYR 100 Cb 1.21 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 1n2a h TYR 100 CO 0.07 0.01 0.14 0.82 -1.32 0.00 0.00 178.16 177.87 1n2a h ILE 101 N 0.10 1.12 -0.05 1.81 2.04 -1.03 0.21 117.51 121.70 1n2a h ILE 101 Ca 0.09 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1n2a h ILE 101 Cb 0.09 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1n2a h ILE 101 CO -0.13 0.12 -0.04 0.00 0.00 0.00 0.00 178.15 178.10 1n2a h ALA 102 N 1.02 0.00 0.13 1.87 0.00 -0.80 0.44 119.26 121.92 1n2a h ALA 102 Ca 0.09 0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.67 1n2a h ALA 102 Cb 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n2a h ALA 102 CO -0.01 -0.52 -1.91 1.79 0.00 0.00 0.00 179.25 178.60 1n2a h THR 103 N -0.05 0.73 0.10 0.00 1.35 -0.95 -2.40 112.91 111.69 1n2a h THR 103 Ca 0.04 -2.42 -0.36 0.00 -0.55 0.00 0.00 66.41 63.12 1n2a h THR 103 Cb 0.11 2.57 -0.03 0.00 -1.73 0.00 0.00 68.15 69.07 1n2a h THR 103 CO -0.09 0.87 -2.01 -0.62 -0.25 0.00 0.00 175.52 173.42 1n2a n GLU 104 N -3.48 0.73 -0.06 4.72 -0.58 0.72 -4.02 120.64 118.67 1n2a n GLU 104 Ca -0.29 0.25 -0.05 0.00 -0.42 0.00 0.00 57.16 56.65 1n2a n GLU 104 Cb 1.06 -1.70 -0.02 0.00 -0.57 0.00 0.00 31.44 30.21 1n2a n GLU 104 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1n2a n LEU 105 N -3.40 1.26 -0.14 -4.62 4.77 -0.95 -3.42 117.00 110.50 1n2a n LEU 105 Ca -0.31 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 1n2a n LEU 105 Cb 1.05 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1n2a n LEU 105 CO 0.42 -0.38 0.61 -0.74 -1.33 0.00 0.00 177.39 175.96 1n2a h HIS 106 N -0.66 -1.07 0.00 -1.77 2.76 -1.05 -0.85 115.15 112.51 1n2a h HIS 106 Ca 0.00 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1n2a h HIS 106 Cb 0.58 0.53 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1n2a h HIS 106 CO -0.25 -0.41 0.00 1.63 -1.30 0.00 0.00 177.93 177.60 1n2a n LYS 107 N -5.42 0.12 0.13 5.26 4.76 -0.90 -2.66 118.16 119.45 1n2a n LYS 107 Ca 0.01 0.11 -0.01 0.00 -2.87 0.00 0.00 58.31 55.55 1n2a n LYS 107 Cb 0.35 -1.65 0.23 0.00 -1.84 0.00 0.00 35.03 32.12 1n2a n LYS 107 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1n2a h GLY 108 N 4.65 0.12 1.19 0.72 0.00 -1.22 -3.26 103.07 105.27 1n2a h GLY 108 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 47.33 46.99 1n2a h GLY 108 CO 0.00 0.12 -1.39 0.74 0.00 0.00 0.00 176.54 176.01 1n2a h PHE 109 N 0.09 0.00 -0.63 5.60 0.04 -1.05 -3.40 116.94 117.59 1n2a h PHE 109 Ca 0.00 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 1n2a h PHE 109 Cb 0.89 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.93 1n2a h PHE 109 CO 0.01 0.77 -0.03 1.15 -0.60 0.00 0.00 178.31 179.60 1n2a h THR 110 N 0.00 0.46 -0.37 -1.55 2.02 -1.55 -0.70 112.91 111.22 1n2a h THR 110 Ca -0.18 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.06 1n2a h THR 110 Cb 1.74 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1n2a h THR 110 CO 0.07 0.02 0.26 -0.65 0.37 0.00 0.00 175.52 175.58 1n2a h PRO 111 N 0.09 0.09 0.00 6.66 0.11 -1.78 0.22 132.00 137.39 1n2a h PRO 111 Ca 0.32 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 1n2a h PRO 111 Cb 0.53 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1n2a h PRO 111 CO -0.56 0.06 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.20 1n2a h LEU 112 N 0.10 0.00 -1.35 2.35 3.38 -1.41 -3.14 115.31 115.23 1n2a h LEU 112 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n2a h LEU 112 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1n2a h LEU 112 CO -0.02 0.02 -0.22 0.49 0.09 0.00 0.00 178.44 178.80 1n2a n PHE 113 N -3.20 0.00 -3.99 1.13 3.72 0.76 -4.98 117.46 110.90 1n2a n PHE 113 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 1n2a n PHE 113 Cb 0.19 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1n2a n PHE 113 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1n2a s ARG 114 N -2.24 3.25 0.18 -1.08 0.52 -1.14 -5.02 118.95 113.42 1n2a s ARG 114 Ca 0.24 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1n2a s ARG 114 Cb 0.19 -2.97 0.05 0.00 0.52 0.00 0.00 34.95 32.74 1n2a s ARG 114 CO 0.44 0.65 1.43 -1.00 0.02 0.00 0.00 175.30 176.84 1n2a h PRO 115 N 3.81 0.40 0.00 3.54 0.13 -1.93 -3.25 132.00 134.70 1n2a h PRO 115 Ca -0.48 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1n2a h PRO 115 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1n2a h PRO 115 CO 0.67 0.97 0.00 -0.40 -0.23 0.00 0.00 178.00 179.01 1n2a n ASP 116 N -3.83 0.00 -4.66 1.44 5.75 -1.26 -4.73 116.55 109.25 1n2a n ASP 116 Ca -0.04 0.44 -0.43 0.00 -0.01 0.00 0.00 54.79 54.75 1n2a n ASP 116 Cb 0.71 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 1n2a n ASP 116 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1n2a s THR 117 N -2.94 4.35 0.25 2.12 2.01 -1.23 -5.00 115.64 115.21 1n2a s THR 117 Ca 0.08 1.64 -0.31 0.00 0.31 0.00 0.00 61.69 63.41 1n2a s THR 117 Cb 0.09 -4.06 -0.12 0.00 0.01 0.00 0.00 72.50 68.42 1n2a s THR 117 CO 0.24 -0.12 1.63 -2.65 -0.69 0.00 0.00 174.62 173.03 1n2a n PRO 118 N 6.35 2.65 -0.30 4.92 -0.02 -1.26 -4.89 135.00 142.45 1n2a n PRO 118 Ca 0.13 0.95 0.06 0.00 -2.02 0.00 0.00 63.50 62.62 1n2a n PRO 118 Cb 0.45 -2.75 0.21 0.00 -0.02 0.00 0.00 33.50 31.40 1n2a n PRO 118 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1n2a h GLU 119 N 5.56 0.71 0.00 -0.52 4.39 -1.94 -1.86 114.58 120.91 1n2a h GLU 119 Ca -0.45 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1n2a h GLU 119 Cb 1.22 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1n2a h GLU 119 CO 0.86 0.47 -0.08 1.05 -1.16 0.00 0.00 179.01 180.15 1n2a h GLU 120 N 0.73 0.00 0.00 2.33 9.09 -2.04 -2.08 114.58 122.61 1n2a h GLU 120 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1n2a h GLU 120 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1n2a h GLU 120 CO -0.31 0.08 0.00 -0.92 0.05 0.00 0.00 179.01 177.90 1n2a h TYR 121 N 0.00 0.00 -0.92 2.06 3.20 -1.71 -3.38 116.97 116.21 1n2a h TYR 121 Ca -0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1n2a h TYR 121 Cb 0.38 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1n2a h TYR 121 CO 0.00 0.00 0.61 0.87 -1.64 0.00 0.00 178.16 178.00 1n2a h LYS 122 N 0.00 1.20 -0.26 1.82 1.57 -1.43 -2.38 116.57 117.09 1n2a h LYS 122 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1n2a h LYS 122 Cb 0.84 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1n2a h LYS 122 CO 0.00 0.79 0.16 -1.35 -0.57 0.00 0.00 179.45 178.49 1n2a h PRO 123 N 1.24 0.34 -0.00 3.15 0.11 -1.78 -0.38 132.00 134.68 1n2a h PRO 123 Ca 0.34 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 1n2a h PRO 123 Cb -0.12 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 1n2a h PRO 123 CO -0.08 0.23 0.00 1.15 -0.21 0.00 0.00 178.00 179.09 1n2a h THR 124 N 0.35 1.20 -0.28 -1.15 2.02 -1.71 -1.09 112.91 112.26 1n2a h THR 124 Ca 0.09 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.72 1n2a h THR 124 Cb -0.03 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1n2a h THR 124 CO -0.02 0.15 0.07 0.58 0.37 0.00 0.00 175.52 176.67 1n2a h VAL 125 N -0.25 0.89 -0.99 3.16 2.07 -1.10 -1.40 116.25 118.63 1n2a h VAL 125 Ca 0.00 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1n2a h VAL 125 Cb 0.25 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1n2a h VAL 125 CO 0.00 0.03 0.65 0.03 0.02 0.00 0.00 177.57 178.31 1n2a h ARG 126 N 0.18 1.24 -0.50 1.57 3.08 -0.98 -0.41 114.38 118.56 1n2a h ARG 126 Ca 0.13 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1n2a h ARG 126 Cb 0.12 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1n2a h ARG 126 CO -0.15 0.82 -0.07 0.00 -1.07 0.00 0.00 179.97 179.50 1n2a h ALA 127 N 1.41 0.92 -0.68 0.04 0.00 -0.81 -1.31 119.26 118.83 1n2a h ALA 127 Ca 0.38 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1n2a h ALA 127 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1n2a h ALA 127 CO -0.11 0.63 0.20 1.96 0.00 0.00 0.00 179.25 181.94 1n2a h GLN 128 N 0.82 1.07 -0.34 0.00 4.20 -0.18 -2.83 115.11 117.85 1n2a h GLN 128 Ca 0.14 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1n2a h GLN 128 Cb 0.59 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1n2a h GLN 128 CO 0.04 0.93 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.93 1n2a h LEU 129 N 1.00 0.58 -0.75 1.46 3.38 -0.83 -2.09 115.31 118.07 1n2a h LEU 129 Ca 0.22 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1n2a h LEU 129 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1n2a h LEU 129 CO -0.00 0.74 -0.23 -0.33 0.09 0.00 0.00 178.44 178.70 1n2a h GLU 130 N 0.55 0.70 -0.10 1.13 5.08 -1.01 -1.10 114.58 119.83 1n2a h GLU 130 Ca 0.10 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1n2a h GLU 130 Cb 0.54 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1n2a h GLU 130 CO 0.03 0.87 0.01 0.87 -1.00 0.00 0.00 179.01 179.79 1n2a h LYS 131 N 0.61 0.16 -0.98 2.33 1.79 -1.35 -2.44 116.57 116.69 1n2a h LYS 131 Ca 0.09 -0.05 0.17 0.00 -2.18 0.00 0.00 60.65 58.68 1n2a h LYS 131 Cb 0.72 -0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.25 1n2a h LYS 131 CO 0.06 0.39 0.59 0.87 -1.08 0.00 0.00 179.45 180.28 1n2a h LYS 132 N -0.09 0.76 -0.19 3.15 1.57 -1.20 -1.89 116.57 118.67 1n2a h LYS 132 Ca 0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1n2a h LYS 132 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1n2a h LYS 132 CO 0.00 0.50 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.01 1n2a h LEU 133 N 0.78 0.38 -0.72 2.94 3.38 -0.98 -1.01 115.31 120.08 1n2a h LEU 133 Ca 0.55 -0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.52 1n2a h LEU 133 Cb 0.80 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 1n2a h LEU 133 CO -0.36 0.68 0.26 1.56 0.09 0.00 0.00 178.44 180.67 1n2a h GLN 134 N 0.33 0.39 -0.17 1.13 7.50 -0.86 -0.59 115.11 122.84 1n2a h GLN 134 Ca 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 1n2a h GLN 134 Cb 0.70 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.14 1n2a h GLN 134 CO 0.05 0.26 0.01 -0.92 -1.50 0.00 0.00 178.83 176.73 1n2a h TYR 135 N 0.41 0.31 -0.78 2.96 5.03 -1.01 -2.46 116.97 121.43 1n2a h TYR 135 Ca 0.39 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1n2a h TYR 135 Cb 0.59 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1n2a h TYR 135 CO -0.18 0.48 0.51 0.28 -1.32 0.00 0.00 178.16 177.93 1n2a h VAL 136 N 0.05 1.21 -0.76 1.81 2.07 -1.05 -0.96 116.25 118.61 1n2a h VAL 136 Ca 0.05 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1n2a h VAL 136 Cb 0.35 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1n2a h VAL 136 CO 0.01 0.20 0.41 -1.13 0.02 0.00 0.00 177.57 177.08 1n2a h ASN 137 N 1.06 0.96 -0.80 0.57 -1.24 -1.03 -2.11 115.58 113.00 1n2a h ASN 137 Ca 0.28 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1n2a h ASN 137 Cb -0.10 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.67 1n2a h ASN 137 CO -0.06 0.79 0.34 -0.08 -1.29 0.00 0.00 177.43 177.13 1n2a h GLU 138 N 1.06 1.18 0.00 6.67 4.57 -1.15 -2.91 114.58 124.00 1n2a h GLU 138 Ca 0.27 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1n2a h GLU 138 Cb 0.05 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1n2a h GLU 138 CO -0.04 0.94 -0.21 0.00 -1.18 0.00 0.00 179.01 178.52 1n2a h ALA 139 N 1.21 1.39 -0.33 2.92 0.00 -0.55 -1.78 119.26 122.12 1n2a h ALA 139 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n2a h ALA 139 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n2a h ALA 139 CO -0.03 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1n2a n LEU 140 N -3.91 2.22 -0.24 0.00 4.77 -0.88 -4.66 117.00 114.30 1n2a n LEU 140 Ca -0.02 -1.12 0.15 0.00 -0.03 0.00 0.00 56.01 54.99 1n2a n LEU 140 Cb 0.30 -0.32 0.44 0.00 -2.33 0.00 0.00 43.42 41.50 1n2a n LEU 140 CO 0.34 0.46 1.22 0.07 -1.33 0.00 0.00 177.39 178.15 1n2a h LYS 141 N 2.02 0.55 0.00 3.23 2.10 -1.34 -0.90 116.57 122.23 1n2a h LYS 141 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1n2a h LYS 141 Cb 0.65 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1n2a h LYS 141 CO 0.06 0.36 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 1n2a n ASP 142 N -4.54 0.00 -4.15 7.07 9.92 -1.26 -4.91 116.55 118.68 1n2a n ASP 142 Ca 0.18 -0.15 -0.30 0.00 -0.53 0.00 0.00 54.79 53.99 1n2a n ASP 142 Cb 0.55 -0.17 -0.06 0.00 -0.64 0.00 0.00 41.12 40.80 1n2a n ASP 142 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1n2a n GLU 143 N -1.17 -1.74 0.00 -1.24 1.02 -0.34 -4.94 120.64 112.23 1n2a n GLU 143 Ca 0.09 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1n2a n GLU 143 Cb 0.09 -3.86 0.00 0.00 -0.02 0.00 0.00 31.44 27.65 1n2a n GLU 143 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1n2a n HIS 144 N -4.54 0.00 -4.23 -0.32 1.44 -1.26 -5.02 115.22 101.29 1n2a n HIS 144 Ca -0.30 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.14 1n2a n HIS 144 Cb 0.68 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.77 1n2a n HIS 144 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1n2a n TRP 145 N 0.00 0.11 0.11 -1.40 7.02 -1.17 -4.86 117.44 117.24 1n2a n TRP 145 Ca 0.00 -2.25 -0.03 0.00 -1.02 0.00 0.00 57.50 54.20 1n2a n TRP 145 Cb 0.00 -0.37 0.18 0.00 -2.42 0.00 0.00 31.31 28.69 1n2a n TRP 145 CO 0.00 0.00 0.00 -0.84 -2.02 0.00 0.00 177.69 174.83 1n2a h ILE 146 N 0.91 1.37 0.00 -0.99 3.07 -1.93 -3.41 117.51 116.54 1n2a h ILE 146 Ca -0.36 -1.84 0.00 0.00 1.55 0.00 0.00 64.86 64.22 1n2a h ILE 146 Cb 1.19 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 39.67 1n2a h ILE 146 CO 0.57 0.54 -0.24 0.00 -1.05 0.00 0.00 178.15 177.97 1n2a n GLY 148 N 1.59 3.85 0.31 0.00 0.00 -1.26 -5.03 105.19 104.64 1n2a n GLY 148 Ca -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.55 1n2a n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n2a n GLN 149 N 0.00 0.16 -3.18 1.61 6.02 -1.26 -3.06 117.38 117.68 1n2a n GLN 149 Ca 0.00 -0.99 -0.39 0.00 -0.01 0.00 0.00 57.00 55.62 1n2a n GLN 149 Cb 0.00 -1.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1n2a n GLN 149 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1n2a s ARG 150 N -0.64 4.31 0.17 -1.09 0.52 -1.26 -4.89 118.95 116.06 1n2a s ARG 150 Ca 0.09 0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 55.87 1n2a s ARG 150 Cb 0.06 -3.21 -0.07 0.00 0.52 0.00 0.00 34.95 32.25 1n2a s ARG 150 CO 0.09 0.60 0.93 0.12 0.02 0.00 0.00 175.30 177.06 1n2a s PHE 151 N -1.16 3.90 0.23 -0.53 5.36 -1.26 -4.74 117.98 119.78 1n2a s PHE 151 Ca 0.32 1.83 -0.04 0.00 -0.96 0.00 0.00 56.93 58.08 1n2a s PHE 151 Cb -0.20 -2.98 -0.03 0.00 -0.34 0.00 0.00 43.02 39.47 1n2a s PHE 151 CO 0.21 0.35 0.27 0.95 -1.46 0.00 0.00 175.22 175.55 1n2a s THR 152 N -0.64 0.00 0.49 0.12 -4.23 -1.26 -4.36 115.64 105.75 1n2a s THR 152 Ca 0.43 -1.79 0.20 0.00 -1.18 0.00 0.00 61.69 59.35 1n2a s THR 152 Cb -0.24 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.43 1n2a s THR 152 CO 0.30 0.00 2.10 0.16 -0.54 0.00 0.00 174.62 176.64 1n2a h ILE 153 N 2.44 0.88 -0.89 2.99 3.07 -1.77 -1.63 117.51 122.59 1n2a h ILE 153 Ca -0.32 -0.32 0.03 0.00 1.55 0.00 0.00 64.86 65.81 1n2a h ILE 153 Cb 1.25 1.18 -0.05 0.00 -0.27 0.00 0.00 36.82 38.93 1n2a h ILE 153 CO 0.45 0.08 0.57 0.00 -1.05 0.00 0.00 178.15 178.21 1n2a h ALA 154 N 1.91 1.16 -0.41 0.16 0.00 -1.87 -2.02 119.26 118.19 1n2a h ALA 154 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n2a h ALA 154 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1n2a h ALA 154 CO 0.01 0.43 0.24 -0.44 0.00 0.00 0.00 179.25 179.50 1n2a h ASP 155 N 1.12 0.50 -0.82 0.00 3.45 -1.70 -0.48 116.42 118.48 1n2a h ASP 155 Ca 0.35 -0.06 0.10 0.00 0.43 0.00 0.00 57.03 57.85 1n2a h ASP 155 Cb -0.01 -0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 38.56 1n2a h ASP 155 CO -0.11 0.41 0.46 0.00 -1.57 0.00 0.00 179.24 178.43 1n2a h ALA 156 N 1.11 1.17 -0.06 3.45 0.00 -1.34 -1.26 119.26 122.32 1n2a h ALA 156 Ca 0.15 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1n2a h ALA 156 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n2a h ALA 156 CO -0.03 0.07 -0.33 -0.92 0.00 0.00 0.00 179.25 178.04 1n2a h TYR 157 N 0.76 0.46 -0.41 0.00 3.20 -1.11 -2.38 116.97 117.49 1n2a h TYR 157 Ca 0.40 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1n2a h TYR 157 Cb 0.39 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1n2a h TYR 157 CO -0.07 0.95 0.20 1.25 -1.64 0.00 0.00 178.16 178.85 1n2a h LEU 158 N -0.16 0.52 -0.26 2.82 6.46 -0.94 -1.99 115.31 121.77 1n2a h LEU 158 Ca -0.02 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1n2a h LEU 158 Cb 0.99 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.72 1n2a h LEU 158 CO 0.07 0.49 -0.16 0.15 -0.62 0.00 0.00 178.44 178.38 1n2a h PHE 159 N 0.52 -0.39 -0.62 1.25 3.57 -1.27 0.59 116.94 120.59 1n2a h PHE 159 Ca 0.14 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.76 1n2a h PHE 159 Cb 0.10 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 1n2a h PHE 159 CO -0.02 -0.23 0.27 1.15 -2.23 0.00 0.00 178.31 177.25 1n2a h THR 160 N -0.13 0.82 -0.00 4.41 2.02 -1.09 -2.57 112.91 116.37 1n2a h THR 160 Ca 0.14 -0.16 -0.20 0.00 0.77 0.00 0.00 66.41 66.96 1n2a h THR 160 Cb 0.35 0.30 0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1n2a h THR 160 CO -0.34 0.09 -0.79 0.58 0.37 0.00 0.00 175.52 175.43 1n2a h VAL 161 N 0.47 1.36 -0.03 3.16 2.07 -1.10 -3.29 116.25 118.90 1n2a h VAL 161 Ca 0.31 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 1n2a h VAL 161 Cb 0.34 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1n2a h VAL 161 CO -0.27 0.64 -0.08 -0.07 0.02 0.00 0.00 177.57 177.81 1n2a h LEU 162 N 0.11 0.03 -1.36 2.57 3.38 -0.79 -0.84 115.31 118.42 1n2a h LEU 162 Ca -0.10 -0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.19 1n2a h LEU 162 Cb 1.48 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.11 1n2a h LEU 162 CO 0.16 0.12 0.72 0.03 0.09 0.00 0.00 178.44 179.56 1n2a h ARG 163 N 0.04 0.28 0.00 1.13 3.08 -1.53 -0.13 114.38 117.25 1n2a h ARG 163 Ca 0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1n2a h ARG 163 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1n2a h ARG 163 CO 0.01 0.18 -0.20 -1.49 -1.07 0.00 0.00 179.97 177.40 1n2a h TRP 164 N 0.29 0.00 -0.47 3.04 6.55 -1.31 -2.46 115.95 121.58 1n2a h TRP 164 Ca 0.67 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.49 1n2a h TRP 164 Cb 1.86 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 30.14 1n2a h TRP 164 CO -0.00 0.20 0.19 0.00 -1.05 0.00 0.00 178.44 177.78 1n2a h ALA 165 N 1.80 1.45 -0.05 1.49 0.00 -1.14 -1.08 119.26 121.73 1n2a h ALA 165 Ca -0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1n2a h ALA 165 Cb 0.48 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1n2a h ALA 165 CO 0.03 0.42 -0.92 1.88 0.00 0.00 0.00 179.25 180.65 1n2a h TYR 166 N 0.67 0.95 -0.44 0.00 -1.99 -1.51 -1.69 116.97 112.96 1n2a h TYR 166 Ca 0.16 -0.48 -0.14 0.00 2.00 0.00 0.00 58.73 60.28 1n2a h TYR 166 Cb 0.13 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1n2a h TYR 166 CO 0.01 1.31 -0.27 0.00 -0.00 0.00 0.00 178.16 179.21 1n2a h ALA 167 N 0.54 0.62 -0.01 3.88 0.00 -1.14 -2.60 119.26 120.55 1n2a h ALA 167 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n2a h ALA 167 Cb 1.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1n2a h ALA 167 CO 0.18 0.64 -0.10 1.33 0.00 0.00 0.00 179.25 181.31 1n2a n VAL 168 N -4.12 0.00 -3.50 0.00 0.24 -0.45 -4.98 118.33 105.52 1n2a n VAL 168 Ca -0.01 -0.18 -0.20 0.00 -2.04 0.00 0.00 64.34 61.91 1n2a n VAL 168 Cb 0.48 0.36 0.06 0.00 -1.47 0.00 0.00 33.84 33.27 1n2a n VAL 168 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1n2a n LYS 169 N -0.27 -3.86 -1.12 7.34 3.00 -0.98 -5.01 118.16 117.27 1n2a n LYS 169 Ca 0.17 0.72 -0.31 0.00 -0.00 0.00 0.00 58.31 58.88 1n2a n LYS 169 Cb 0.33 -5.35 0.11 0.00 0.00 0.00 0.00 35.03 30.13 1n2a n LYS 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1n2a s LEU 170 N -6.19 3.02 -0.42 3.14 1.43 -0.66 -4.99 118.68 114.02 1n2a s LEU 170 Ca 0.22 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 55.05 1n2a s LEU 170 Cb -0.05 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.63 1n2a s LEU 170 CO 0.78 -2.41 1.48 0.21 0.23 0.00 0.00 176.35 176.65 1n2a s ASN 171 N -2.94 6.22 0.00 2.29 3.84 -1.26 -4.87 114.94 118.22 1n2a s ASN 171 Ca 0.65 0.85 0.09 0.00 0.21 0.00 0.00 52.86 54.66 1n2a s ASN 171 Cb -0.21 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.21 1n2a s ASN 171 CO 0.54 -1.52 1.19 0.18 -2.79 0.00 0.00 177.10 174.71 1n2a n LEU 172 N 9.20 2.74 -4.68 3.21 4.77 -1.26 -4.97 117.00 126.02 1n2a n LEU 172 Ca 0.17 -1.92 -0.56 0.00 -0.03 0.00 0.00 56.01 53.67 1n2a n LEU 172 Cb 0.48 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1n2a n LEU 172 CO 0.70 0.68 1.22 -0.62 -1.33 0.00 0.00 177.39 178.04 1n2a n GLU 173 N 0.41 1.19 -0.98 3.23 1.02 -1.26 -1.69 120.64 122.57 1n2a n GLU 173 Ca 0.10 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1n2a n GLU 173 Cb 0.39 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1n2a n GLU 173 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n2a n GLY 174 N 3.75 0.66 2.86 0.62 0.00 -1.26 -4.92 105.19 106.90 1n2a n GLY 174 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1n2a n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n2a n LEU 175 N 0.00 6.64 0.07 0.99 4.77 -0.68 -4.77 117.00 124.01 1n2a n LEU 175 Ca 0.00 -4.48 -0.04 0.00 -0.03 0.00 0.00 56.01 51.46 1n2a n LEU 175 Cb 0.02 -1.54 0.18 0.00 -2.33 0.00 0.00 43.42 39.75 1n2a n LEU 175 CO 0.00 1.25 0.61 -0.33 -1.33 0.00 0.00 177.39 177.59 1n2a h GLU 176 N 5.90 0.32 -0.10 3.23 5.08 -1.91 -2.62 114.58 124.48 1n2a h GLU 176 Ca 0.44 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.48 1n2a h GLU 176 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1n2a h GLU 176 CO 1.69 0.70 -0.62 0.45 -1.00 0.00 0.00 179.01 180.23 1n2a h HIS 177 N 0.26 0.45 0.02 4.33 3.86 -1.86 -0.87 115.15 121.35 1n2a h HIS 177 Ca 0.02 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1n2a h HIS 177 Cb 0.88 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1n2a h HIS 177 CO 0.02 0.88 -0.01 0.82 0.86 0.00 0.00 177.93 180.50 1n2a h ILE 178 N 0.26 1.07 -0.60 2.45 2.04 -1.81 -1.35 117.51 119.58 1n2a h ILE 178 Ca -0.01 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 65.69 1n2a h ILE 178 Cb 1.15 1.27 -0.10 0.00 -0.74 0.00 0.00 36.82 38.40 1n2a h ILE 178 CO 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1n2a h ALA 179 N 0.82 0.55 -0.72 1.87 0.00 -1.29 0.59 119.26 121.08 1n2a h ALA 179 Ca -0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1n2a h ALA 179 Cb 0.14 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1n2a h ALA 179 CO 0.00 -0.40 0.39 0.00 0.00 0.00 0.00 179.25 179.25 1n2a h ALA 180 N 1.55 0.93 -0.03 0.00 0.00 -1.04 -1.44 119.26 119.23 1n2a h ALA 180 Ca 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1n2a h ALA 180 Cb 0.49 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n2a h ALA 180 CO -0.53 0.45 0.01 0.35 0.00 0.00 0.00 179.25 179.53 1n2a h PHE 181 N 1.00 0.05 -0.79 0.00 3.57 -0.35 -1.14 116.94 119.27 1n2a h PHE 181 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1n2a h PHE 181 Cb 0.04 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1n2a h PHE 181 CO -0.00 0.20 0.51 0.52 -2.23 0.00 0.00 178.31 177.31 1n2a h MET 182 N -0.12 1.05 -0.32 1.11 2.86 -0.80 -1.02 114.93 117.69 1n2a h MET 182 Ca 0.01 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1n2a h MET 182 Cb 0.18 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1n2a h MET 182 CO -0.00 0.71 -0.14 0.37 1.06 0.00 0.00 176.91 178.90 1n2a h GLN 183 N 1.08 0.66 -0.76 1.72 4.15 -0.81 -1.44 115.11 119.71 1n2a h GLN 183 Ca 0.29 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1n2a h GLN 183 Cb -0.10 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 1n2a h GLN 183 CO -0.06 0.87 0.45 -0.09 -1.93 0.00 0.00 178.83 178.07 1n2a h ARG 184 N 0.42 1.03 -0.20 1.69 2.43 -0.95 -2.85 114.38 115.96 1n2a h ARG 184 Ca 0.07 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1n2a h ARG 184 Cb 0.67 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1n2a h ARG 184 CO 0.04 0.74 -0.03 0.52 -1.51 0.00 0.00 179.97 179.73 1n2a h MET 185 N 1.04 0.37 0.00 0.20 2.86 -1.10 -3.14 114.93 115.16 1n2a h MET 185 Ca 0.27 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1n2a h MET 185 Cb -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1n2a h MET 185 CO -0.05 0.61 0.00 0.00 1.06 0.00 0.00 176.91 178.53 1n2a h ALA 186 N 0.75 1.00 0.00 6.32 0.00 -1.08 -1.37 119.26 124.88 1n2a h ALA 186 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n2a h ALA 186 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n2a h ALA 186 CO 0.02 0.00 -0.14 1.49 0.00 0.00 0.00 179.25 180.61 1n2a h GLU 187 N 0.00 0.00 -6.63 0.00 4.57 -1.46 -3.40 114.58 107.67 1n2a h GLU 187 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 1n2a h GLU 187 Cb 0.38 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.03 1n2a h GLU 187 CO 0.00 0.14 0.99 1.03 -1.18 0.00 0.00 179.01 179.99 1n2a s ARG 188 N -3.23 4.15 0.31 1.92 0.52 -0.52 -4.89 118.95 117.20 1n2a s ARG 188 Ca 0.05 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.81 1n2a s ARG 188 Cb 0.06 -3.14 0.52 0.00 0.52 0.00 0.00 34.95 32.91 1n2a s ARG 188 CO 0.67 -0.73 1.93 -1.00 0.02 0.00 0.00 175.30 176.20 1n2a h PRO 189 N 6.97 1.00 -0.07 3.54 0.13 -1.89 -0.28 132.00 141.40 1n2a h PRO 189 Ca -0.43 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 1n2a h PRO 189 Cb 1.20 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1n2a h PRO 189 CO 0.95 0.66 -0.52 0.93 -0.23 0.00 0.00 178.00 179.79 1n2a h GLU 190 N 1.03 0.18 -0.07 0.86 4.39 -1.95 0.20 114.58 119.22 1n2a h GLU 190 Ca 0.36 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.80 1n2a h GLU 190 Cb 0.11 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1n2a h GLU 190 CO -0.12 0.66 -0.55 -0.39 -1.16 0.00 0.00 179.01 177.45 1n2a h VAL 191 N 0.15 1.38 -0.65 3.13 -1.51 -1.69 -2.26 116.25 114.79 1n2a h VAL 191 Ca 0.00 -1.91 0.11 0.00 -1.23 0.00 0.00 66.70 63.68 1n2a h VAL 191 Cb 0.97 2.31 -0.08 0.00 -2.13 0.00 0.00 31.29 32.35 1n2a h VAL 191 CO 0.08 0.57 0.21 1.56 -1.23 0.00 0.00 177.57 178.76 1n2a h GLN 192 N 0.07 0.36 -0.65 5.19 4.20 -0.86 -0.39 115.11 123.03 1n2a h GLN 192 Ca -0.05 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1n2a h GLN 192 Cb 1.21 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1n2a h GLN 192 CO 0.11 0.24 0.23 -0.44 -0.67 0.00 0.00 178.83 178.30 1n2a h ASP 193 N 0.37 0.90 -0.33 1.46 3.32 -0.58 -1.25 116.42 120.31 1n2a h ASP 193 Ca 0.34 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 1n2a h ASP 193 Cb 0.48 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1n2a h ASP 193 CO -0.37 0.82 -0.03 0.00 -1.72 0.00 0.00 179.24 177.94 1n2a h ALA 194 N 1.30 0.45 -0.42 3.45 0.00 -0.77 -1.71 119.26 121.56 1n2a h ALA 194 Ca 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n2a h ALA 194 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1n2a h ALA 194 CO -0.01 0.24 0.28 -0.07 0.00 0.00 0.00 179.25 179.68 1n2a h LEU 195 N 0.40 0.47 -0.39 0.00 3.38 -0.91 -2.05 115.31 116.21 1n2a h LEU 195 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n2a h LEU 195 Cb 0.50 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1n2a h LEU 195 CO 0.02 0.34 0.23 0.28 0.09 0.00 0.00 178.44 179.41 1n2a h SER 196 N 0.56 0.48 0.28 -0.43 0.02 -1.18 -0.64 113.55 112.64 1n2a h SER 196 Ca 0.16 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1n2a h SER 196 Cb -0.06 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1n2a h SER 196 CO -0.04 0.40 -0.22 0.00 -1.14 0.00 0.00 176.83 175.82 1n2a h ALA 197 N 1.10 1.51 -0.01 3.77 0.00 -1.14 -1.87 119.26 122.62 1n2a h ALA 197 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n2a h ALA 197 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n2a h ALA 197 CO -0.03 0.28 -0.08 0.39 0.00 0.00 0.00 179.25 179.82 1n2a n GLU 198 N -4.10 0.95 -0.72 0.00 1.02 -0.79 -4.93 120.64 112.07 1n2a n GLU 198 Ca -0.02 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1n2a n GLU 198 Cb 0.29 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1n2a n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n2a n GLY 199 N 1.21 0.63 3.86 0.62 0.00 -0.70 -4.74 105.19 106.07 1n2a n GLY 199 Ca 0.17 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1n2a n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2a s LEU 200 N 0.00 3.95 0.00 0.99 1.43 -0.28 -5.01 118.68 119.75 1n2a s LEU 200 Ca 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1n2a s LEU 200 Cb 0.00 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1n2a s LEU 200 CO 0.00 -0.30 0.00 2.29 0.23 0.00 0.00 176.35 178.57