#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7t s SER 2 N 0.00 4.97 0.18 1.61 1.04 -1.26 -4.18 113.70 116.06 1i7t s SER 2 Ca 0.00 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1i7t s SER 2 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1i7t s SER 2 CO 0.00 -1.72 0.05 -1.00 0.98 0.00 0.00 173.24 171.55 1i7t s HIS 3 N -2.81 1.16 0.11 5.02 0.09 -0.66 -4.94 115.29 113.25 1i7t s HIS 3 Ca 0.61 -1.17 -0.15 0.00 -0.00 0.00 0.00 55.06 54.35 1i7t s HIS 3 Cb -0.17 -0.65 0.03 0.00 -0.00 0.00 0.00 32.58 31.80 1i7t s HIS 3 CO 0.52 -0.39 0.37 -1.54 -0.00 0.00 0.00 174.74 173.70 1i7t s SER 4 N -3.16 -0.20 -0.11 1.40 1.04 -1.26 -0.54 113.70 110.88 1i7t s SER 4 Ca 0.29 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1i7t s SER 4 Cb 0.07 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1i7t s SER 4 CO 0.06 -0.81 -0.09 -0.32 0.98 0.00 0.00 173.24 173.06 1i7t s MET 5 N -3.60 1.66 0.07 4.02 1.75 -0.61 -0.39 119.30 122.21 1i7t s MET 5 Ca 0.02 -0.32 0.07 0.00 -1.25 0.00 0.00 55.69 54.21 1i7t s MET 5 Cb 0.02 -1.63 -0.03 0.00 2.84 0.00 0.00 34.83 36.02 1i7t s MET 5 CO -0.10 -0.22 -0.19 1.03 -0.65 0.00 0.00 175.02 174.89 1i7t s ARG 6 N 1.52 1.15 -0.18 4.11 1.81 -0.33 -1.87 118.95 125.16 1i7t s ARG 6 Ca 0.02 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 53.03 1i7t s ARG 6 Cb -0.13 -1.30 0.03 0.00 -0.45 0.00 0.00 34.95 33.10 1i7t s ARG 6 CO -0.07 0.31 -0.15 0.71 -0.68 0.00 0.00 175.30 175.43 1i7t s TYR 7 N -1.01 2.47 -0.19 -0.53 2.02 -0.09 0.35 117.35 120.37 1i7t s TYR 7 Ca 0.05 -1.50 -0.07 0.00 -0.37 0.00 0.00 57.07 55.18 1i7t s TYR 7 Cb -0.09 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1i7t s TYR 7 CO 0.03 -0.74 0.06 -0.06 -1.57 0.00 0.00 175.55 173.26 1i7t s PHE 8 N 1.39 3.20 -0.07 2.71 0.08 -0.09 -2.44 117.98 122.76 1i7t s PHE 8 Ca 0.03 -0.04 0.04 0.00 0.12 0.00 0.00 56.93 57.08 1i7t s PHE 8 Cb -0.14 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1i7t s PHE 8 CO -0.10 0.05 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.82 1i7t s PHE 9 N 0.60 2.00 -0.05 0.36 0.08 0.61 -1.28 117.98 120.30 1i7t s PHE 9 Ca 0.03 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.37 1i7t s PHE 9 Cb -0.13 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1i7t s PHE 9 CO 0.01 -0.28 -0.04 0.99 -0.10 0.00 0.00 175.22 175.80 1i7t s THR 10 N 0.28 0.51 -0.06 0.64 2.01 -0.10 -1.01 115.64 117.91 1i7t s THR 10 Ca -0.12 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1i7t s THR 10 Cb -0.15 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.80 1i7t s THR 10 CO 0.05 0.23 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.52 1i7t s SER 11 N 1.14 1.95 -0.09 3.53 0.15 -0.20 -0.01 113.70 120.17 1i7t s SER 11 Ca -0.07 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1i7t s SER 11 Cb -0.14 -0.80 0.02 0.00 -1.71 0.00 0.00 66.02 63.40 1i7t s SER 11 CO -0.01 0.07 -0.08 -0.69 1.20 0.00 0.00 173.24 173.73 1i7t s VAL 12 N 0.46 0.98 0.04 4.45 1.01 0.53 -1.10 120.40 126.77 1i7t s VAL 12 Ca -0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1i7t s VAL 12 Cb -0.15 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1i7t s VAL 12 CO 0.04 0.35 1.03 -0.94 0.00 0.00 0.00 175.10 175.57 1i7t s SER 13 N 1.38 7.33 -0.62 3.32 1.04 -0.34 -0.99 113.70 124.81 1i7t s SER 13 Ca -0.01 1.77 0.06 0.00 0.48 0.00 0.00 55.95 58.24 1i7t s SER 13 Cb -0.14 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.66 1i7t s SER 13 CO -0.04 -0.27 0.72 -2.11 0.98 0.00 0.00 173.24 172.52 1i7t n ARG 14 N 3.68 2.38 -1.37 4.02 1.85 -1.26 -3.50 116.66 122.45 1i7t n ARG 14 Ca 0.06 -4.57 -0.42 0.00 -1.00 0.00 0.00 57.85 51.92 1i7t n ARG 14 Cb 0.50 -2.18 -0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1i7t n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1i7t n PRO 15 N 0.92 0.22 -0.60 2.89 -0.02 -1.26 -1.84 135.00 135.32 1i7t n PRO 15 Ca 0.29 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1i7t n PRO 15 Cb 0.42 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1i7t n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i7t n GLY 16 N 2.08 0.29 2.52 -1.23 0.00 -1.26 -4.80 105.19 102.80 1i7t n GLY 16 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1i7t n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i7t n ARG 17 N -2.00 1.09 0.00 1.61 1.85 -0.77 -5.13 116.66 113.31 1i7t n ARG 17 Ca 0.00 -3.08 0.00 0.00 -1.00 0.00 0.00 57.85 53.77 1i7t n ARG 17 Cb 0.00 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 1i7t n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i7t n GLY 18 N 0.02 -1.51 3.83 2.89 0.00 -1.26 -4.94 105.19 104.22 1i7t n GLY 18 Ca 0.13 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1i7t n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i7t s GLU 19 N 0.00 4.14 0.35 1.61 2.56 -1.26 -4.73 118.70 121.37 1i7t s GLU 19 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 54.97 55.58 1i7t s GLU 19 Cb 0.00 -2.39 -0.11 0.00 2.00 0.00 0.00 34.13 33.62 1i7t s GLU 19 CO 0.00 0.11 1.49 -0.35 -0.56 0.00 0.00 175.26 175.95 1i7t n PRO 20 N -0.33 2.59 -2.26 4.30 -0.04 -1.26 -4.71 135.00 133.29 1i7t n PRO 20 Ca 0.04 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 63.99 1i7t n PRO 20 Cb 0.53 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1i7t n PRO 20 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1i7t s ARG 21 N -1.61 4.36 -0.14 0.54 6.06 -0.16 -4.79 118.95 123.21 1i7t s ARG 21 Ca 0.57 1.97 0.01 0.00 -2.50 0.00 0.00 55.73 55.77 1i7t s ARG 21 Cb -0.50 -3.29 0.02 0.00 0.06 0.00 0.00 34.95 31.23 1i7t s ARG 21 CO 0.59 -0.38 -0.16 0.12 -2.50 0.00 0.00 175.30 172.97 1i7t s PHE 22 N 1.14 2.21 -0.02 5.12 5.36 -1.26 -0.35 117.98 130.18 1i7t s PHE 22 Ca 0.63 -1.17 0.07 0.00 -0.96 0.00 0.00 56.93 55.50 1i7t s PHE 22 Cb -0.34 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.73 1i7t s PHE 22 CO 0.30 -0.61 -0.24 0.42 -1.46 0.00 0.00 175.22 173.63 1i7t s ILE 23 N 1.23 2.26 -0.02 3.12 -1.09 0.98 -1.30 121.20 126.39 1i7t s ILE 23 Ca -0.00 -1.08 0.01 0.00 -2.23 0.00 0.00 60.65 57.35 1i7t s ILE 23 Cb -0.14 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.93 1i7t s ILE 23 CO -0.07 0.55 -0.04 0.00 -1.23 0.00 0.00 174.94 174.15 1i7t s ALA 24 N -0.67 0.45 0.06 9.38 0.00 0.36 -0.92 121.76 130.42 1i7t s ALA 24 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1i7t s ALA 24 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1i7t s ALA 24 CO -0.00 0.05 0.05 0.14 0.00 0.00 0.00 175.76 176.00 1i7t s VAL 25 N 0.29 0.19 -0.00 0.00 -7.23 -0.40 -0.77 120.40 112.47 1i7t s VAL 25 Ca -0.03 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1i7t s VAL 25 Cb -0.07 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.48 1i7t s VAL 25 CO -0.00 -0.84 0.04 -0.83 -0.31 0.00 0.00 175.10 173.15 1i7t s GLY 26 N -2.81 0.07 0.17 2.32 0.00 -1.00 -0.91 107.32 105.17 1i7t s GLY 26 Ca 0.05 -0.16 0.06 0.00 0.00 0.00 0.00 44.72 44.68 1i7t s GLY 26 CO -0.10 -0.21 -0.12 -0.19 0.00 0.00 0.00 173.10 172.48 1i7t s TYR 27 N -0.72 1.49 -0.18 1.90 1.51 0.16 -1.52 117.35 119.98 1i7t s TYR 27 Ca -0.08 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 1i7t s TYR 27 Cb -0.05 -0.72 0.05 0.00 -0.11 0.00 0.00 41.96 41.13 1i7t s TYR 27 CO -0.00 0.22 -0.01 0.08 -1.11 0.00 0.00 175.55 174.73 1i7t s VAL 28 N -3.07 0.84 0.00 0.71 1.01 -0.65 -1.18 120.40 118.04 1i7t s VAL 28 Ca 0.19 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1i7t s VAL 28 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1i7t s VAL 28 CO 0.04 -0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.56 1i7t n ASP 29 N 4.95 0.00 -1.38 3.32 8.00 0.48 -1.30 116.55 130.62 1i7t n ASP 29 Ca -0.10 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.45 1i7t n ASP 29 Cb 0.47 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.83 1i7t n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i7t n ASP 30 N 0.81 4.00 -4.38 -2.24 8.00 -1.26 -4.85 116.55 116.63 1i7t n ASP 30 Ca 0.00 -2.57 -0.34 0.00 0.71 0.00 0.00 54.79 52.58 1i7t n ASP 30 Cb 0.00 -0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 40.36 1i7t n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7t s THR 31 N -2.10 3.54 0.11 -3.53 2.01 -0.42 -5.01 115.64 110.23 1i7t s THR 31 Ca 0.35 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.61 1i7t s THR 31 Cb 0.26 -2.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.13 1i7t s THR 31 CO 0.11 0.45 0.90 -1.58 -0.69 0.00 0.00 174.62 173.81 1i7t s GLN 32 N 1.05 4.65 -0.03 4.92 0.74 -1.26 -1.64 119.66 128.09 1i7t s GLN 32 Ca 0.01 1.35 0.04 0.00 0.05 0.00 0.00 55.36 56.80 1i7t s GLN 32 Cb -0.15 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 1i7t s GLN 32 CO 0.00 0.27 0.04 1.97 -0.55 0.00 0.00 175.29 177.02 1i7t n PHE 33 N 2.65 0.00 -4.02 1.67 -1.74 -0.58 -3.94 117.46 111.51 1i7t n PHE 33 Ca 0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.81 1i7t n PHE 33 Cb 0.49 -0.16 -0.09 0.00 1.52 0.00 0.00 39.48 41.25 1i7t n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i7t s VAL 34 N -2.15 0.15 0.12 1.97 -7.23 -1.25 0.19 120.40 112.20 1i7t s VAL 34 Ca -0.02 -1.59 -0.22 0.00 -1.81 0.00 0.00 61.98 58.34 1i7t s VAL 34 Cb 0.02 -1.62 0.06 0.00 0.56 0.00 0.00 36.38 35.40 1i7t s VAL 34 CO 0.16 -0.70 0.55 0.00 -0.31 0.00 0.00 175.10 174.80 1i7t s ARG 35 N -3.94 1.18 -0.10 4.82 1.04 0.02 -2.36 118.95 119.60 1i7t s ARG 35 Ca 0.11 -0.43 -0.06 0.00 -1.04 0.00 0.00 55.73 54.31 1i7t s ARG 35 Cb 0.06 0.54 0.04 0.00 -2.04 0.00 0.00 34.95 33.55 1i7t s ARG 35 CO -0.07 -0.48 0.25 0.12 -0.04 0.00 0.00 175.30 175.09 1i7t s PHE 36 N -3.36 -0.32 -0.12 5.89 5.36 0.05 -0.40 117.98 125.08 1i7t s PHE 36 Ca -0.01 0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 56.72 1i7t s PHE 36 Cb -0.00 0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.78 1i7t s PHE 36 CO -0.09 -0.20 -0.04 0.34 -1.46 0.00 0.00 175.22 173.76 1i7t s ASP 37 N 0.90 2.27 0.55 6.13 -1.08 -1.26 -0.49 116.67 123.69 1i7t s ASP 37 Ca -0.06 -0.39 0.26 0.00 -0.52 0.00 0.00 52.55 51.84 1i7t s ASP 37 Cb -0.07 -0.74 1.47 0.00 -1.46 0.00 0.00 42.92 42.12 1i7t s ASP 37 CO -0.06 -0.17 2.02 0.77 0.52 0.00 0.00 175.17 178.25 1i7t h SER 38 N 8.21 0.00 0.28 -0.34 4.64 -1.60 -0.01 113.55 124.73 1i7t h SER 38 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1i7t h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1i7t h SER 38 CO 0.36 0.00 -0.26 0.47 -0.87 0.00 0.00 176.83 176.53 1i7t n ASP 39 N -4.14 0.90 -4.81 4.97 9.92 -1.26 -4.92 116.55 117.21 1i7t n ASP 39 Ca 0.06 -0.78 -0.30 0.00 -0.53 0.00 0.00 54.79 53.24 1i7t n ASP 39 Cb 0.50 0.11 0.07 0.00 -0.64 0.00 0.00 41.12 41.17 1i7t n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i7t s ALA 40 N -2.54 2.44 0.00 2.24 0.00 -0.02 -5.01 121.76 118.87 1i7t s ALA 40 Ca 0.24 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 1i7t s ALA 40 Cb 0.19 -3.13 -0.21 0.00 0.00 0.00 0.00 23.12 19.97 1i7t s ALA 40 CO 0.53 -1.51 1.13 0.00 0.00 0.00 0.00 175.76 175.91 1i7t h ALA 41 N -0.93 0.10 -0.74 0.00 0.00 -1.91 -3.34 119.26 112.44 1i7t h ALA 41 Ca -0.46 -0.50 0.09 0.00 0.00 0.00 0.00 54.91 54.05 1i7t h ALA 41 Cb 1.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1i7t h ALA 41 CO 0.59 0.25 0.49 0.66 0.00 0.00 0.00 179.25 181.23 1i7t h SER 42 N -0.16 0.58 -6.14 0.00 4.64 -1.94 -3.46 113.55 107.06 1i7t h SER 42 Ca -0.04 0.01 -0.43 0.00 -0.47 0.00 0.00 61.79 60.86 1i7t h SER 42 Cb 1.11 -0.11 0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1i7t h SER 42 CO 0.09 0.35 -0.81 0.00 -0.87 0.00 0.00 176.83 175.59 1i7t n GLN 43 N -4.49 -5.15 -3.76 4.77 1.13 -1.26 -4.96 117.38 103.66 1i7t n GLN 43 Ca 0.12 0.62 -0.13 0.00 -1.94 0.00 0.00 57.00 55.67 1i7t n GLN 43 Cb 0.33 -5.28 -0.08 0.00 0.11 0.00 0.00 30.24 25.32 1i7t n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i7t s ARG 44 N -6.17 0.70 0.07 -1.09 0.52 -1.26 -5.05 118.95 106.67 1i7t s ARG 44 Ca 0.20 -0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 54.85 1i7t s ARG 44 Cb -0.10 0.31 -0.08 0.00 0.52 0.00 0.00 34.95 35.61 1i7t s ARG 44 CO 0.82 -0.20 1.50 1.41 0.02 0.00 0.00 175.30 178.84 1i7t s MET 45 N -1.59 4.26 0.15 3.54 -2.45 -1.26 -4.67 119.30 117.27 1i7t s MET 45 Ca -0.12 2.16 0.09 0.00 -1.25 0.00 0.00 55.69 56.58 1i7t s MET 45 Cb -0.04 -3.44 -0.04 0.00 1.25 0.00 0.00 34.83 32.56 1i7t s MET 45 CO 0.03 -0.59 -0.17 -1.21 1.05 0.00 0.00 175.02 174.12 1i7t s GLU 46 N 1.96 1.79 0.39 4.11 2.02 0.46 -4.89 118.70 124.55 1i7t s GLU 46 Ca 0.68 -1.27 -0.23 0.00 0.02 0.00 0.00 54.97 54.17 1i7t s GLU 46 Cb -0.37 -2.07 -0.11 0.00 0.10 0.00 0.00 34.13 31.68 1i7t s GLU 46 CO 0.30 0.45 0.95 -1.25 0.02 0.00 0.00 175.26 175.73 1i7t s PRO 47 N -2.41 4.35 0.00 0.39 0.04 -1.26 -0.80 135.00 135.31 1i7t s PRO 47 Ca 0.20 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1i7t s PRO 47 Cb -0.10 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1i7t s PRO 47 CO 0.11 0.08 0.58 0.54 0.04 0.00 0.00 177.00 178.36 1i7t n ARG 48 N -0.21 0.83 -3.84 4.56 5.12 0.50 -4.82 116.66 118.81 1i7t n ARG 48 Ca 0.05 -0.74 -0.12 0.00 -1.93 0.00 0.00 57.85 55.10 1i7t n ARG 48 Cb 0.53 -0.73 -0.13 0.00 -1.16 0.00 0.00 32.46 30.96 1i7t n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i7t s ALA 49 N -0.32 -0.23 0.14 7.54 0.00 -1.12 -4.69 121.76 123.09 1i7t s ALA 49 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.96 1i7t s ALA 49 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1i7t s ALA 49 CO 0.00 -0.05 1.59 -1.35 0.00 0.00 0.00 175.76 175.95 1i7t h PRO 50 N 6.04 -0.39 0.00 0.00 0.11 -1.93 -2.77 132.00 133.06 1i7t h PRO 50 Ca -0.25 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1i7t h PRO 50 Cb 1.20 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1i7t h PRO 50 CO 0.45 -0.26 0.00 -2.67 -0.21 0.00 0.00 178.00 175.31 1i7t n TRP 51 N -5.42 0.00 0.00 0.65 4.27 -1.26 -1.44 117.44 114.24 1i7t n TRP 51 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1i7t n TRP 51 Cb 0.35 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 1i7t n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1i7t n ILE 52 N 0.39 0.00 0.23 -1.67 0.13 -1.05 -4.67 119.36 112.73 1i7t n ILE 52 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 62.75 61.83 1i7t n ILE 52 Cb 0.00 0.14 0.87 0.00 -0.84 0.00 0.00 39.64 39.81 1i7t n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i7t h GLU 53 N 0.00 0.00 -0.36 9.51 5.08 -1.32 -1.06 114.58 126.43 1i7t h GLU 53 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i7t h GLU 53 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1i7t h GLU 53 CO 0.00 0.00 0.22 1.96 -1.00 0.00 0.00 179.01 180.19 1i7t h GLN 54 N 0.00 0.49 -6.01 2.33 1.08 -1.83 -3.44 115.11 107.73 1i7t h GLN 54 Ca 0.07 -0.05 -0.76 0.00 -1.45 0.00 0.00 58.65 56.46 1i7t h GLN 54 Cb 0.46 -0.10 0.06 0.00 -0.05 0.00 0.00 27.48 27.85 1i7t h GLN 54 CO -0.00 0.37 -0.05 0.39 -0.95 0.00 0.00 178.83 178.59 1i7t n GLU 55 N -4.80 0.03 -0.94 1.46 -0.58 -0.40 -4.92 120.64 110.49 1i7t n GLU 55 Ca -0.00 0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1i7t n GLU 55 Cb 0.05 -1.41 0.15 0.00 -0.57 0.00 0.00 31.44 29.66 1i7t n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i7t n GLY 56 N 1.62 -2.07 0.30 0.62 0.00 -1.26 -4.82 105.19 99.58 1i7t n GLY 56 Ca 0.20 -1.58 0.14 0.00 0.00 0.00 0.00 46.02 44.78 1i7t n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i7t h PRO 57 N 0.00 0.00 0.36 1.61 0.13 -1.97 -2.45 132.00 129.68 1i7t h PRO 57 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1i7t h PRO 57 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1i7t h PRO 57 CO 0.19 0.00 -0.17 1.49 -0.23 0.00 0.00 178.00 179.27 1i7t h GLU 58 N 0.00 -0.47 -0.06 0.86 4.22 -1.98 0.18 114.58 117.33 1i7t h GLU 58 Ca 0.02 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.53 1i7t h GLU 58 Cb 0.08 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1i7t h GLU 58 CO -0.00 -0.26 -0.27 -0.92 -2.18 0.00 0.00 179.01 175.38 1i7t h TYR 59 N -0.58 -0.73 -0.20 0.92 5.03 -1.79 0.16 116.97 119.79 1i7t h TYR 59 Ca -0.05 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.25 1i7t h TYR 59 Cb 0.43 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 1i7t h TYR 59 CO -0.03 -0.36 -0.07 -1.49 -1.32 0.00 0.00 178.16 174.90 1i7t h TRP 60 N -0.38 0.32 0.01 -3.82 4.06 -1.44 0.11 115.95 114.81 1i7t h TRP 60 Ca 0.08 -0.03 -0.23 0.00 2.06 0.00 0.00 58.89 60.77 1i7t h TRP 60 Cb 0.49 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1i7t h TRP 60 CO -0.33 0.38 -0.97 -0.44 -3.56 0.00 0.00 178.44 173.53 1i7t h ASP 61 N 0.30 0.55 -0.13 -3.49 3.32 -0.13 -1.82 116.42 115.01 1i7t h ASP 61 Ca 0.06 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 1i7t h ASP 61 Cb 0.32 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1i7t h ASP 61 CO 0.01 1.25 -0.12 1.23 -1.72 0.00 0.00 179.24 179.90 1i7t h GLY 62 N 1.20 0.34 1.91 2.75 0.00 -0.21 -1.43 103.07 107.63 1i7t h GLY 62 Ca -0.09 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1i7t h GLY 62 CO 0.17 0.31 -0.39 0.83 0.00 0.00 0.00 176.54 177.46 1i7t h GLU 63 N -0.06 0.10 -0.11 4.80 4.39 -0.86 0.95 114.58 123.79 1i7t h GLU 63 Ca 0.02 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 1i7t h GLU 63 Cb 0.64 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1i7t h GLU 63 CO 0.03 0.48 -0.48 1.15 -1.16 0.00 0.00 179.01 179.03 1i7t h THR 64 N 0.08 1.34 0.04 1.13 2.02 -1.28 0.20 112.91 116.44 1i7t h THR 64 Ca 0.01 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1i7t h THR 64 Cb 0.74 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1i7t h THR 64 CO 0.06 0.51 -0.02 -0.09 0.37 0.00 0.00 175.52 176.34 1i7t h ARG 65 N 0.22 -0.06 -0.34 6.66 2.43 -0.47 -2.63 114.38 120.19 1i7t h ARG 65 Ca 0.01 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1i7t h ARG 65 Cb 0.94 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1i7t h ARG 65 CO 0.08 0.42 -0.03 0.87 -1.51 0.00 0.00 179.97 179.79 1i7t h LYS 66 N -0.55 0.62 -0.93 0.20 1.57 -0.75 -2.76 116.57 113.97 1i7t h LYS 66 Ca -0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1i7t h LYS 66 Cb 0.50 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1i7t h LYS 66 CO 0.01 0.76 0.60 -0.24 -0.57 0.00 0.00 179.45 180.01 1i7t h VAL 67 N 0.42 1.24 -0.60 0.50 3.04 -0.69 -0.81 116.25 119.36 1i7t h VAL 67 Ca 0.09 -0.47 -0.04 0.00 -1.01 0.00 0.00 66.70 65.27 1i7t h VAL 67 Cb 0.50 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.65 1i7t h VAL 67 CO 0.02 0.24 0.22 0.11 -1.01 0.00 0.00 177.57 177.16 1i7t h LYS 68 N 1.27 0.92 -0.27 4.17 1.57 -1.40 -1.59 116.57 121.23 1i7t h LYS 68 Ca 0.34 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1i7t h LYS 68 Cb -0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1i7t h LYS 68 CO -0.07 0.80 0.13 0.00 -0.57 0.00 0.00 179.45 179.74 1i7t h ALA 69 N 1.08 0.32 -0.18 3.86 0.00 -1.02 -0.88 119.26 122.44 1i7t h ALA 69 Ca 0.20 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1i7t h ALA 69 Cb 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1i7t h ALA 69 CO -0.01 -0.26 -0.20 0.45 0.00 0.00 0.00 179.25 179.22 1i7t h HIS 70 N 0.28 -0.52 -0.52 0.00 3.86 -0.88 0.13 115.15 117.50 1i7t h HIS 70 Ca 0.11 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.45 1i7t h HIS 70 Cb 0.03 0.26 -0.10 0.00 1.06 0.00 0.00 27.41 28.66 1i7t h HIS 70 CO -0.10 -0.28 -0.14 1.03 0.86 0.00 0.00 177.93 179.31 1i7t h SER 71 N -0.23 -0.52 -0.38 2.45 0.87 -0.72 0.19 113.55 115.22 1i7t h SER 71 Ca 0.12 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1i7t h SER 71 Cb 0.40 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1i7t h SER 71 CO -0.31 -0.18 0.22 -0.61 -0.53 0.00 0.00 176.83 175.42 1i7t h GLN 72 N -0.01 0.52 -0.40 2.24 4.15 -0.45 0.20 115.11 121.35 1i7t h GLN 72 Ca 0.25 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.70 1i7t h GLN 72 Cb 0.39 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 1i7t h GLN 72 CO -0.54 0.40 -0.16 1.15 -1.93 0.00 0.00 178.83 177.75 1i7t h THR 73 N 0.49 0.48 0.00 2.39 2.02 0.14 0.19 112.91 118.62 1i7t h THR 73 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1i7t h THR 73 Cb 0.02 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1i7t h THR 73 CO -0.02 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.28 1i7t n HIS 74 N -5.36 0.09 0.09 3.16 8.25 0.44 -0.75 115.22 121.14 1i7t n HIS 74 Ca 0.02 0.03 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 1i7t n HIS 74 Cb 0.27 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1i7t n HIS 74 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1i7t h ARG 75 N 0.00 0.14 0.21 -0.41 2.43 0.14 -2.91 114.38 113.98 1i7t h ARG 75 Ca 0.00 -0.16 -0.33 0.00 -0.81 0.00 0.00 59.98 58.69 1i7t h ARG 75 Cb 0.47 0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1i7t h ARG 75 CO 0.00 0.91 -1.49 0.28 -1.51 0.00 0.00 179.97 178.16 1i7t h VAL 76 N 0.08 1.25 -0.90 0.20 2.07 -0.43 -3.31 116.25 115.20 1i7t h VAL 76 Ca -0.03 -2.75 0.17 0.00 0.82 0.00 0.00 66.70 64.91 1i7t h VAL 76 Cb 1.48 2.95 -0.10 0.00 -1.52 0.00 0.00 31.29 34.10 1i7t h VAL 76 CO 0.13 0.84 0.48 0.44 0.02 0.00 0.00 177.57 179.47 1i7t h ASP 77 N 0.12 0.56 -0.80 0.57 3.32 -0.87 0.24 116.42 119.56 1i7t h ASP 77 Ca -0.25 0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1i7t h ASP 77 Cb 2.11 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 41.63 1i7t h ASP 77 CO 0.23 0.19 0.51 -0.07 -1.72 0.00 0.00 179.24 178.38 1i7t h LEU 78 N 0.61 0.83 0.73 1.55 3.38 -1.60 -1.10 115.31 119.71 1i7t h LEU 78 Ca 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.45 1i7t h LEU 78 Cb 0.81 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1i7t h LEU 78 CO -0.40 0.56 -0.35 1.23 0.09 0.00 0.00 178.44 179.57 1i7t h GLY 79 N 0.97 -1.02 -0.51 0.83 0.00 -0.70 -1.56 103.07 101.09 1i7t h GLY 79 Ca 0.33 0.38 0.05 0.00 0.00 0.00 0.00 47.33 48.09 1i7t h GLY 79 CO -0.13 -0.37 -0.44 -0.84 0.00 0.00 0.00 176.54 174.76 1i7t h THR 80 N -1.00 0.00 -0.97 4.70 2.02 -0.95 -0.72 112.91 115.99 1i7t h THR 80 Ca -0.10 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.20 1i7t h THR 80 Cb 0.75 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 1i7t h THR 80 CO 0.16 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.58 1i7t h LEU 81 N -0.18 0.87 -1.58 2.58 3.38 -1.27 0.16 115.31 119.27 1i7t h LEU 81 Ca 0.08 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.27 1i7t h LEU 81 Cb 0.40 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1i7t h LEU 81 CO -0.57 0.46 0.53 -0.09 0.09 0.00 0.00 178.44 178.85 1i7t h ARG 82 N 0.94 0.39 0.16 1.13 2.43 -0.08 -0.70 114.38 118.65 1i7t h ARG 82 Ca 0.48 -0.02 -0.33 0.00 -0.81 0.00 0.00 59.98 59.30 1i7t h ARG 82 Cb 0.49 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1i7t h ARG 82 CO -0.27 0.26 -1.67 0.78 -1.51 0.00 0.00 179.97 177.55 1i7t h GLY 83 N 0.40 0.38 1.80 2.80 0.00 -0.21 1.00 103.07 109.23 1i7t h GLY 83 Ca 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1i7t h GLY 83 CO -0.13 0.85 0.10 -0.97 0.00 0.00 0.00 176.54 176.39 1i7t h TYR 84 N 0.09 0.00 0.00 5.60 0.05 0.57 -1.68 116.97 121.60 1i7t h TYR 84 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1i7t h TYR 84 Cb 2.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.81 1i7t h TYR 84 CO 0.08 0.00 -0.02 0.66 -1.05 0.00 0.00 178.16 177.84 1i7t n TYR 85 N -2.95 0.00 -3.84 4.88 4.01 -0.65 -4.85 117.16 113.76 1i7t n TYR 85 Ca -0.03 -0.53 -0.37 0.00 -0.16 0.00 0.00 57.90 56.82 1i7t n TYR 85 Cb 0.16 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1i7t n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1i7t n ASN 86 N -0.62 -4.87 -4.83 7.72 4.13 -0.63 -4.93 115.26 111.22 1i7t n ASN 86 Ca 0.03 -1.10 -0.32 0.00 1.68 0.00 0.00 54.58 54.87 1i7t n ASN 86 Cb 0.37 -2.52 -0.06 0.00 -1.54 0.00 0.00 39.78 36.03 1i7t n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1i7t s GLN 87 N -6.40 3.17 0.20 3.52 -0.21 0.32 -5.04 119.66 115.23 1i7t s GLN 87 Ca 0.42 -0.49 -0.32 0.00 0.02 0.00 0.00 55.36 54.99 1i7t s GLN 87 Cb -0.19 -2.91 -0.12 0.00 1.00 0.00 0.00 33.01 30.79 1i7t s GLN 87 CO 0.91 0.63 1.72 0.45 -2.12 0.00 0.00 175.29 176.88 1i7t s SER 88 N -2.07 6.40 0.00 5.90 0.15 -1.26 -4.83 113.70 117.98 1i7t s SER 88 Ca 0.28 2.84 0.06 0.00 0.70 0.00 0.00 55.95 59.83 1i7t s SER 88 Cb -0.12 -2.60 0.36 0.00 -1.71 0.00 0.00 66.02 61.95 1i7t s SER 88 CO 0.19 -0.97 1.06 -1.84 1.20 0.00 0.00 173.24 172.88 1i7t n GLU 89 N 4.15 0.80 0.08 5.44 0.28 -1.26 -2.82 120.64 127.31 1i7t n GLU 89 Ca 0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.93 1i7t n GLU 89 Cb 0.36 -1.12 -0.15 0.00 1.43 0.00 0.00 31.44 31.96 1i7t n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1i7t h ALA 90 N 2.84 0.10 -2.43 -1.84 0.00 -1.99 -3.45 119.26 112.49 1i7t h ALA 90 Ca 0.00 -1.08 -0.49 0.00 0.00 0.00 0.00 54.91 53.33 1i7t h ALA 90 Cb 0.00 0.41 0.06 0.00 0.00 0.00 0.00 17.79 18.26 1i7t h ALA 90 CO 0.00 0.94 0.39 0.20 0.00 0.00 0.00 179.25 180.78 1i7t s GLY 91 N -5.01 2.38 0.10 0.00 0.00 -1.13 -4.58 107.32 99.08 1i7t s GLY 91 Ca -0.15 0.60 -0.18 0.00 0.00 0.00 0.00 44.72 44.99 1i7t s GLY 91 CO 0.86 0.94 0.56 -0.45 0.00 0.00 0.00 173.10 175.01 1i7t s SER 92 N -2.24 6.98 0.28 1.64 0.15 -1.26 -4.70 113.70 114.55 1i7t s SER 92 Ca 0.68 1.20 0.02 0.00 0.70 0.00 0.00 55.95 58.55 1i7t s SER 92 Cb -0.19 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1i7t s SER 92 CO 0.30 0.22 0.09 -1.00 1.20 0.00 0.00 173.24 174.05 1i7t s HIS 93 N -1.23 1.65 0.05 3.44 3.76 -1.23 -4.92 115.29 116.80 1i7t s HIS 93 Ca 0.32 -1.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.13 1i7t s HIS 93 Cb -0.18 -0.99 -0.02 0.00 1.11 0.00 0.00 32.58 32.49 1i7t s HIS 93 CO 0.19 -0.27 -0.15 0.99 -0.85 0.00 0.00 174.74 174.65 1i7t s THR 94 N -3.62 1.17 -0.05 1.30 2.01 -1.26 -1.20 115.64 113.99 1i7t s THR 94 Ca 0.37 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1i7t s THR 94 Cb 0.08 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1i7t s THR 94 CO 0.14 -0.05 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.27 1i7t s VAL 95 N -0.98 0.62 -0.03 3.82 1.01 -0.26 -1.33 120.40 123.25 1i7t s VAL 95 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1i7t s VAL 95 Cb -0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1i7t s VAL 95 CO 0.02 0.24 -0.16 -1.10 0.00 0.00 0.00 175.10 174.10 1i7t s GLN 96 N 0.85 1.55 -0.01 2.72 -0.21 -0.64 -1.03 119.66 122.89 1i7t s GLN 96 Ca -0.12 -0.55 0.03 0.00 0.02 0.00 0.00 55.36 54.74 1i7t s GLN 96 Cb -0.15 -1.39 -0.01 0.00 1.00 0.00 0.00 33.01 32.47 1i7t s GLN 96 CO 0.01 0.25 -0.10 0.50 -2.12 0.00 0.00 175.29 173.82 1i7t s ARG 97 N -0.03 0.89 -0.17 2.91 3.52 -0.18 -1.80 118.95 124.09 1i7t s ARG 97 Ca -0.01 -0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 1i7t s ARG 97 Cb -0.10 -0.85 0.08 0.00 -1.56 0.00 0.00 34.95 32.52 1i7t s ARG 97 CO 0.01 0.20 0.22 1.41 -0.81 0.00 0.00 175.30 176.33 1i7t s MET 98 N -0.13 0.16 0.11 5.12 -2.45 -0.55 -0.29 119.30 121.28 1i7t s MET 98 Ca 0.02 0.37 0.05 0.00 -1.25 0.00 0.00 55.69 54.88 1i7t s MET 98 Cb -0.05 -0.83 -0.04 0.00 1.25 0.00 0.00 34.83 35.16 1i7t s MET 98 CO -0.00 -0.53 -0.14 1.52 1.05 0.00 0.00 175.02 176.92 1i7t s TYR 99 N 2.35 1.32 -1.48 4.11 -0.85 -1.02 -1.72 117.35 120.05 1i7t s TYR 99 Ca 0.05 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1i7t s TYR 99 Cb -0.14 -0.70 0.00 0.00 0.38 0.00 0.00 41.96 41.49 1i7t s TYR 99 CO -0.11 0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.44 1i7t n GLY 100 N 0.71 -1.43 3.07 5.49 0.00 -1.19 -0.92 105.19 110.93 1i7t n GLY 100 Ca -0.17 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 1i7t n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7t s ASP 102 N -2.03 3.48 0.09 0.00 1.01 0.80 -1.57 116.67 118.46 1i7t s ASP 102 Ca -0.04 -0.53 0.05 0.00 0.71 0.00 0.00 52.55 52.73 1i7t s ASP 102 Cb -0.05 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.42 1i7t s ASP 102 CO -0.02 0.25 -0.13 0.68 0.21 0.00 0.00 175.17 176.16 1i7t s VAL 103 N -0.89 1.15 0.56 -1.27 -7.23 0.30 0.24 120.40 113.25 1i7t s VAL 103 Ca 0.13 -1.52 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1i7t s VAL 103 Cb -0.10 -1.29 0.13 0.00 0.56 0.00 0.00 36.38 35.68 1i7t s VAL 103 CO 0.04 -0.36 0.76 0.61 -0.31 0.00 0.00 175.10 175.84 1i7t n GLY 104 N 0.87 -1.04 0.33 2.32 0.00 -0.82 -1.66 105.19 105.18 1i7t n GLY 104 Ca -0.18 -1.74 0.17 0.00 0.00 0.00 0.00 46.02 44.27 1i7t n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i7t h SER 105 N -0.94 0.00 0.00 1.61 4.64 -1.92 0.50 113.55 117.44 1i7t h SER 105 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1i7t h SER 105 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1i7t h SER 105 CO 0.19 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.25 1i7t n ASP 106 N -3.66 0.00 -2.00 4.97 5.75 -1.26 -4.79 116.55 115.57 1i7t n ASP 106 Ca -0.00 -1.08 -0.20 0.00 -0.01 0.00 0.00 54.79 53.50 1i7t n ASP 106 Cb 0.24 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.28 1i7t n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1i7t n TRP 107 N -0.92 -0.57 -4.03 2.11 7.02 0.18 -4.97 117.44 116.25 1i7t n TRP 107 Ca 0.19 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.38 1i7t n TRP 107 Cb 0.09 -3.59 -0.06 0.00 -2.42 0.00 0.00 31.31 25.34 1i7t n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i7t s ARG 108 N -4.37 3.02 0.16 -0.99 0.52 -1.26 -4.85 118.95 111.19 1i7t s ARG 108 Ca 0.00 -0.69 -0.34 0.00 -0.52 0.00 0.00 55.73 54.19 1i7t s ARG 108 Cb 0.00 -2.77 -0.15 0.00 0.52 0.00 0.00 34.95 32.54 1i7t s ARG 108 CO 0.00 0.55 1.31 0.34 0.02 0.00 0.00 175.30 177.51 1i7t n PHE 109 N 0.15 1.64 0.00 -0.53 7.35 -1.26 -1.95 117.46 122.85 1i7t n PHE 109 Ca -0.08 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1i7t n PHE 109 Cb 0.52 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.99 1i7t n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i7t n LEU 110 N 2.34 0.00 0.00 -2.13 7.94 0.14 -4.77 117.00 120.51 1i7t n LEU 110 Ca 0.15 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1i7t n LEU 110 Cb 0.25 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.20 1i7t n LEU 110 CO 0.62 0.00 0.00 -2.11 -1.11 0.00 0.00 177.39 174.79 1i7t n ARG 111 N -1.10 0.00 -4.51 1.96 1.85 -1.18 -4.95 116.66 108.73 1i7t n ARG 111 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 1i7t n ARG 111 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 1i7t n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1i7t s GLY 112 N 0.00 2.26 0.32 2.89 0.00 -1.26 -0.14 107.32 111.38 1i7t s GLY 112 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 44.72 42.76 1i7t s GLY 112 CO 0.00 -1.90 0.19 -0.19 0.00 0.00 0.00 173.10 171.20 1i7t s TYR 113 N -3.13 1.63 0.00 1.90 1.51 0.13 -4.92 117.35 114.48 1i7t s TYR 113 Ca 0.34 -1.45 0.00 0.00 -1.01 0.00 0.00 57.07 54.95 1i7t s TYR 113 Cb 0.08 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 1i7t s TYR 113 CO 0.16 -0.61 0.00 1.58 -1.11 0.00 0.00 175.55 175.56 1i7t n HIS 114 N -0.61 0.00 -4.27 2.71 -0.00 -1.22 -3.16 115.22 108.67 1i7t n HIS 114 Ca 0.02 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.00 1i7t n HIS 114 Cb 0.64 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.40 1i7t n HIS 114 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1i7t s GLN 115 N 0.00 1.09 0.35 1.57 -0.21 -0.70 -1.79 119.66 119.97 1i7t s GLN 115 Ca 0.00 -1.23 0.05 0.00 0.02 0.00 0.00 55.36 54.20 1i7t s GLN 115 Cb 0.00 -1.12 -0.07 0.00 1.00 0.00 0.00 33.01 32.82 1i7t s GLN 115 CO 0.00 0.24 0.03 0.71 -2.12 0.00 0.00 175.29 174.14 1i7t s TYR 116 N -1.78 2.17 -0.29 0.91 2.02 0.15 -1.48 117.35 119.06 1i7t s TYR 116 Ca 0.09 -0.82 -0.14 0.00 -0.37 0.00 0.00 57.07 55.83 1i7t s TYR 116 Cb -0.07 -1.45 0.11 0.00 -0.40 0.00 0.00 41.96 40.15 1i7t s TYR 116 CO 0.04 0.21 0.73 0.00 -1.57 0.00 0.00 175.55 174.96 1i7t s ALA 117 N -3.04 -2.04 -0.22 3.71 0.00 -0.74 -1.84 121.76 117.58 1i7t s ALA 117 Ca 0.35 2.35 -0.07 0.00 0.00 0.00 0.00 51.96 54.59 1i7t s ALA 117 Cb 0.09 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1i7t s ALA 117 CO 0.16 -0.59 0.06 -0.47 0.00 0.00 0.00 175.76 174.92 1i7t s TYR 118 N 2.06 3.13 -1.60 0.00 5.04 -0.50 -1.62 117.35 123.86 1i7t s TYR 118 Ca -0.08 -0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.17 1i7t s TYR 118 Cb -0.07 -2.17 0.11 0.00 0.35 0.00 0.00 41.96 40.18 1i7t s TYR 118 CO -0.19 -0.17 0.75 -0.25 -1.34 0.00 0.00 175.55 174.35 1i7t n ASP 119 N 4.40 -2.95 0.00 4.32 8.00 -0.44 -1.41 116.55 128.46 1i7t n ASP 119 Ca -0.16 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1i7t n ASP 119 Cb 0.52 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 1i7t n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7t n GLY 120 N -1.59 1.89 3.68 0.44 0.00 -1.26 -5.02 105.19 103.34 1i7t n GLY 120 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1i7t n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7t s LYS 121 N -0.28 3.56 -0.11 1.61 1.02 -0.50 -5.04 119.74 120.00 1i7t s LYS 121 Ca 0.00 -0.34 -0.39 0.00 0.02 0.00 0.00 55.97 55.26 1i7t s LYS 121 Cb 0.00 -3.06 -0.16 0.00 -0.52 0.00 0.00 37.83 34.09 1i7t s LYS 121 CO 0.00 0.49 1.53 -0.25 -0.92 0.00 0.00 175.35 176.21 1i7t n ASP 122 N 2.83 1.94 0.00 2.83 8.00 -1.26 -1.41 116.55 129.48 1i7t n ASP 122 Ca -0.18 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.42 1i7t n ASP 122 Cb 0.53 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 1i7t n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7t n TYR 123 N 3.91 0.00 -3.88 1.24 9.36 -0.77 -4.75 117.16 122.27 1i7t n TYR 123 Ca 0.23 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.33 1i7t n TYR 123 Cb 0.15 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.73 1i7t n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i7t s ILE 124 N -0.94 0.03 -0.01 2.97 2.07 -1.25 -2.91 121.20 121.16 1i7t s ILE 124 Ca 0.00 -0.26 -0.07 0.00 -1.41 0.00 0.00 60.65 58.91 1i7t s ILE 124 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.44 1i7t s ILE 124 CO 0.00 -0.14 0.14 0.00 -1.91 0.00 0.00 174.94 173.03 1i7t s ALA 125 N -0.42 -0.34 0.10 1.50 0.00 -1.13 0.35 121.76 121.81 1i7t s ALA 125 Ca -0.05 -0.00 -0.27 0.00 0.00 0.00 0.00 51.96 51.64 1i7t s ALA 125 Cb -0.03 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 1i7t s ALA 125 CO -0.00 -0.18 0.85 -1.17 0.00 0.00 0.00 175.76 175.26 1i7t s LEU 126 N -1.05 4.51 0.95 0.00 2.96 -0.74 -0.99 118.68 124.31 1i7t s LEU 126 Ca -0.11 1.64 -0.15 0.00 -0.22 0.00 0.00 54.13 55.29 1i7t s LEU 126 Cb -0.06 -3.40 0.17 0.00 0.50 0.00 0.00 46.19 43.40 1i7t s LEU 126 CO 0.01 0.03 1.21 -0.54 -1.32 0.00 0.00 176.35 175.75 1i7t s LYS 127 N -0.31 0.83 0.17 1.98 1.02 -0.58 -4.77 119.74 118.07 1i7t s LYS 127 Ca 0.41 -0.06 -0.14 0.00 0.02 0.00 0.00 55.97 56.20 1i7t s LYS 127 Cb -0.22 -1.84 0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1i7t s LYS 127 CO 0.27 -2.34 1.83 0.93 -0.92 0.00 0.00 175.35 175.12 1i7t h GLU 128 N -1.60 0.66 0.00 1.68 5.08 -1.91 -1.95 114.58 116.55 1i7t h GLU 128 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1i7t h GLU 128 Cb 1.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1i7t h GLU 128 CO 0.50 0.44 0.14 -0.40 -1.00 0.00 0.00 179.01 178.69 1i7t n ASP 129 N -4.74 0.00 -1.57 1.42 5.68 -1.26 -4.73 116.55 111.36 1i7t n ASP 129 Ca 0.03 0.36 -0.16 0.00 -0.50 0.00 0.00 54.79 54.52 1i7t n ASP 129 Cb 0.03 -0.36 -0.06 0.00 -1.14 0.00 0.00 41.12 39.59 1i7t n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i7t n LEU 130 N -1.36 -1.19 0.00 -2.12 4.77 -0.73 -4.70 117.00 111.67 1i7t n LEU 130 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1i7t n LEU 130 Cb 0.14 -2.31 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 1i7t n LEU 130 CO 0.00 -0.75 0.06 -1.14 -1.33 0.00 0.00 177.39 174.23 1i7t n ARG 131 N -2.14 1.89 -4.19 3.23 0.63 -1.26 -4.64 116.66 110.17 1i7t n ARG 131 Ca -0.16 -0.13 -0.13 0.00 -0.92 0.00 0.00 57.85 56.51 1i7t n ARG 131 Cb 0.53 -0.51 -0.09 0.00 0.45 0.00 0.00 32.46 32.84 1i7t n ARG 131 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1i7t s SER 132 N -0.31 0.47 0.14 6.15 1.04 -1.26 -4.97 113.70 114.96 1i7t s SER 132 Ca 0.00 -1.43 0.06 0.00 0.48 0.00 0.00 55.95 55.06 1i7t s SER 132 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1i7t s SER 132 CO 0.00 -0.93 -0.13 0.26 0.98 0.00 0.00 173.24 173.42 1i7t s TRP 133 N -3.95 1.41 -0.39 5.02 0.52 -1.26 -1.53 118.94 118.75 1i7t s TRP 133 Ca 0.38 -0.61 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 1i7t s TRP 133 Cb 0.05 -0.72 0.09 0.00 -1.15 0.00 0.00 33.47 31.75 1i7t s TRP 133 CO 0.15 0.16 0.18 0.99 0.02 0.00 0.00 176.95 178.46 1i7t s THR 134 N -2.61 3.45 0.02 2.01 2.01 -0.16 -4.90 115.64 115.47 1i7t s THR 134 Ca 0.13 -1.79 -0.17 0.00 0.31 0.00 0.00 61.69 60.18 1i7t s THR 134 Cb -0.02 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 1i7t s THR 134 CO 0.03 -0.55 0.48 0.00 -0.69 0.00 0.00 174.62 173.89 1i7t s ALA 135 N 1.23 3.63 -0.15 7.40 0.00 -1.26 -2.83 121.76 129.78 1i7t s ALA 135 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 1i7t s ALA 135 Cb -0.22 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.30 1i7t s ALA 135 CO -0.02 0.40 0.06 0.00 0.00 0.00 0.00 175.76 176.21 1i7t h ALA 136 N 4.82 0.06 -3.59 0.00 0.00 -1.82 -3.46 119.26 115.27 1i7t h ALA 136 Ca -0.50 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1i7t h ALA 136 Cb 1.21 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1i7t h ALA 136 CO 0.63 0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.87 1i7t n ASP 137 N -4.61 1.99 -0.19 0.00 5.68 -1.26 -4.98 116.55 113.19 1i7t n ASP 137 Ca -0.12 -0.59 -0.05 0.00 -0.50 0.00 0.00 54.79 53.52 1i7t n ASP 137 Cb 0.33 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.43 1i7t n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1i7t h MET 138 N 0.00 0.97 0.88 0.11 2.86 -1.98 0.31 114.93 118.09 1i7t h MET 138 Ca 0.00 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 1i7t h MET 138 Cb 0.00 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.54 1i7t h MET 138 CO 0.00 0.88 -0.46 0.00 1.06 0.00 0.00 176.91 178.40 1i7t h ALA 139 N 1.20 -1.31 -0.73 6.32 0.00 -1.96 0.70 119.26 123.48 1i7t h ALA 139 Ca 0.19 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1i7t h ALA 139 Cb 0.37 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1i7t h ALA 139 CO 0.01 -1.24 0.49 0.00 0.00 0.00 0.00 179.25 178.50 1i7t h ALA 140 N -1.35 2.02 -0.74 0.00 0.00 -1.84 0.33 119.26 117.68 1i7t h ALA 140 Ca -0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1i7t h ALA 140 Cb 0.95 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1i7t h ALA 140 CO 0.18 -0.21 0.25 1.96 0.00 0.00 0.00 179.25 181.42 1i7t h GLN 141 N 0.47 1.15 -0.36 0.00 4.20 -0.32 0.30 115.11 120.55 1i7t h GLN 141 Ca 0.35 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1i7t h GLN 141 Cb 0.71 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1i7t h GLN 141 CO -0.12 0.97 -0.01 1.15 -0.67 0.00 0.00 178.83 180.15 1i7t h THR 142 N 1.10 1.21 -0.19 -0.54 2.02 0.12 -0.06 112.91 116.57 1i7t h THR 142 Ca 0.24 -0.85 -0.17 0.00 0.77 0.00 0.00 66.41 66.40 1i7t h THR 142 Cb 0.29 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1i7t h THR 142 CO -0.01 0.29 -0.56 0.74 0.37 0.00 0.00 175.52 176.35 1i7t h THR 143 N 0.55 1.31 -0.96 3.16 2.02 -0.71 -2.60 112.91 115.68 1i7t h THR 143 Ca 0.11 -1.79 0.10 0.00 0.77 0.00 0.00 66.41 65.61 1i7t h THR 143 Cb 0.37 1.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.61 1i7t h THR 143 CO 0.01 0.56 0.61 0.50 0.37 0.00 0.00 175.52 177.58 1i7t h LYS 144 N 0.42 0.94 0.43 6.66 3.64 0.32 -0.62 116.57 128.35 1i7t h LYS 144 Ca -0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1i7t h LYS 144 Cb 1.18 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1i7t h LYS 144 CO 0.12 0.62 -0.21 0.45 -2.27 0.00 0.00 179.45 178.16 1i7t h HIS 145 N 0.96 -0.53 -0.21 1.91 3.86 -0.85 -0.99 115.15 119.30 1i7t h HIS 145 Ca 0.45 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.71 1i7t h HIS 145 Cb 0.43 0.18 -0.06 0.00 1.06 0.00 0.00 27.41 29.01 1i7t h HIS 145 CO -0.00 -0.33 -0.19 0.87 0.86 0.00 0.00 177.93 179.14 1i7t h LYS 146 N -0.58 -0.19 0.00 2.45 1.57 -0.93 -0.04 116.57 118.85 1i7t h LYS 146 Ca -0.06 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1i7t h LYS 146 Cb 0.44 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1i7t h LYS 146 CO 0.10 -0.13 -0.00 -1.49 -0.57 0.00 0.00 179.45 177.36 1i7t h TRP 147 N -0.20 0.00 0.04 -1.35 4.06 -1.02 -0.70 115.95 116.79 1i7t h TRP 147 Ca 0.13 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.92 1i7t h TRP 147 Cb 0.39 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1i7t h TRP 147 CO -0.34 0.00 -0.64 0.93 -3.56 0.00 0.00 178.44 174.84 1i7t h GLU 148 N 0.00 0.36 0.09 0.49 5.08 0.39 -1.02 114.58 119.97 1i7t h GLU 148 Ca -0.00 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1i7t h GLU 148 Cb 0.05 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1i7t h GLU 148 CO 0.00 1.13 -0.04 0.00 -1.00 0.00 0.00 179.01 179.10 1i7t h ALA 149 N 0.25 -0.12 0.00 3.43 0.00 -0.86 -2.77 119.26 119.19 1i7t h ALA 149 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1i7t h ALA 149 Cb 1.38 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1i7t h ALA 149 CO 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1i7t n ALA 150 N -2.36 1.13 -3.63 0.00 0.00 -0.32 -4.80 120.51 110.52 1i7t n ALA 150 Ca -0.08 -0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1i7t n ALA 150 Cb 0.23 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.72 1i7t n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i7t n HIS 151 N -1.38 -2.39 -0.20 0.00 -0.00 -1.02 -4.90 115.22 105.33 1i7t n HIS 151 Ca 0.00 0.84 -0.06 0.00 -0.00 0.00 0.00 57.72 58.50 1i7t n HIS 151 Cb 0.00 -4.28 0.03 0.00 -0.00 0.00 0.00 29.99 25.74 1i7t n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i7t h VAL 152 N -2.07 1.13 -0.29 1.59 2.07 -1.46 -3.13 116.25 114.10 1i7t h VAL 152 Ca -0.56 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1i7t h VAL 152 Cb 1.36 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1i7t h VAL 152 CO 0.61 0.14 -0.16 0.00 0.02 0.00 0.00 177.57 178.18 1i7t h ALA 153 N 1.22 0.05 -0.65 1.67 0.00 -1.91 0.31 119.26 119.94 1i7t h ALA 153 Ca 0.21 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1i7t h ALA 153 Cb -0.07 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1i7t h ALA 153 CO -0.05 -0.56 0.29 0.93 0.00 0.00 0.00 179.25 179.85 1i7t h GLU 154 N -0.13 0.49 -0.05 0.00 3.07 -1.81 0.15 114.58 116.30 1i7t h GLU 154 Ca 0.15 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1i7t h GLU 154 Cb 0.36 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1i7t h GLU 154 CO -0.37 0.32 0.02 1.96 -1.40 0.00 0.00 179.01 179.54 1i7t h GLN 155 N 0.50 0.08 -0.39 2.33 4.20 -1.34 -2.26 115.11 118.23 1i7t h GLN 155 Ca 0.32 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.07 1i7t h GLN 155 Cb 0.37 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1i7t h GLN 155 CO -0.28 0.23 0.27 1.25 -0.67 0.00 0.00 178.83 179.63 1i7t h LEU 156 N -0.09 0.28 -0.39 1.46 7.12 -0.25 -1.80 115.31 121.63 1i7t h LEU 156 Ca 0.02 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1i7t h LEU 156 Cb 0.19 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 1i7t h LEU 156 CO -0.00 0.19 0.24 -0.09 -0.13 0.00 0.00 178.44 178.65 1i7t h ARG 157 N 0.32 0.53 -0.31 1.25 2.43 -0.14 0.29 114.38 118.74 1i7t h ARG 157 Ca 0.17 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1i7t h ARG 157 Cb 0.27 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1i7t h ARG 157 CO -0.04 0.38 0.18 0.00 -1.51 0.00 0.00 179.97 178.99 1i7t h ALA 158 N 1.11 0.39 0.08 2.80 0.00 -1.02 0.76 119.26 123.38 1i7t h ALA 158 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1i7t h ALA 158 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1i7t h ALA 158 CO -0.03 -0.18 -0.09 -0.92 0.00 0.00 0.00 179.25 178.03 1i7t h TYR 159 N 0.38 -0.22 -0.21 0.00 3.20 -1.08 0.13 116.97 119.16 1i7t h TYR 159 Ca 0.12 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1i7t h TYR 159 Cb -0.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1i7t h TYR 159 CO -0.08 -0.14 0.08 -0.07 -1.64 0.00 0.00 178.16 176.32 1i7t h LEU 160 N -0.19 0.29 0.00 2.82 3.38 -0.58 0.33 115.31 121.35 1i7t h LEU 160 Ca 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1i7t h LEU 160 Cb 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1i7t h LEU 160 CO -0.03 0.37 -0.25 -0.62 0.09 0.00 0.00 178.44 178.00 1i7t n GLU 161 N -4.82 0.05 0.00 1.13 1.02 0.23 -3.87 120.64 114.38 1i7t n GLU 161 Ca -0.04 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1i7t n GLU 161 Cb 0.12 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1i7t n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i7t n GLY 162 N 1.47 0.98 0.25 0.62 0.00 0.44 -4.70 105.19 104.24 1i7t n GLY 162 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1i7t n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i7t n THR 163 N 0.00 -0.30 0.11 2.61 -1.04 -1.17 -0.32 114.28 114.17 1i7t n THR 163 Ca 0.00 1.55 -0.15 0.00 -2.04 0.00 0.00 64.05 63.41 1i7t n THR 163 Cb 0.00 -2.11 -0.08 0.00 -1.82 0.00 0.00 70.33 66.32 1i7t n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i7t h VAL 165 N -0.69 0.79 -0.62 0.00 2.07 -0.78 -1.95 116.25 115.07 1i7t h VAL 165 Ca 0.01 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1i7t h VAL 165 Cb 0.71 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1i7t h VAL 165 CO -0.26 0.03 0.41 -0.33 0.02 0.00 0.00 177.57 177.44 1i7t h GLU 166 N 0.17 0.47 0.09 1.57 5.08 -0.89 -0.50 114.58 120.56 1i7t h GLU 166 Ca 0.18 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.24 1i7t h GLU 166 Cb 0.22 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1i7t h GLU 166 CO -0.25 0.31 -1.15 -1.49 -1.00 0.00 0.00 179.01 175.43 1i7t h TRP 167 N 0.48 0.65 0.36 4.33 4.06 -0.63 -2.15 115.95 123.04 1i7t h TRP 167 Ca 0.28 -0.42 -0.00 0.00 2.06 0.00 0.00 58.89 60.81 1i7t h TRP 167 Cb 0.48 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 1i7t h TRP 167 CO -0.00 1.28 -0.30 1.25 -3.56 0.00 0.00 178.44 177.11 1i7t h LEU 168 N 0.17 -0.80 -0.40 -4.49 5.85 -0.59 0.26 115.31 115.30 1i7t h LEU 168 Ca -0.13 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1i7t h LEU 168 Cb 1.84 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 43.05 1i7t h LEU 168 CO 0.20 -0.45 -0.08 0.03 -0.34 0.00 0.00 178.44 177.80 1i7t h ARG 169 N -0.67 0.02 0.08 1.25 3.08 -1.16 0.58 114.38 117.56 1i7t h ARG 169 Ca -0.03 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1i7t h ARG 169 Cb 0.59 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1i7t h ARG 169 CO -0.03 0.01 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.49 1i7t h ARG 170 N 0.02 -0.48 -0.88 0.04 2.43 -0.84 0.11 114.38 114.78 1i7t h ARG 170 Ca 0.20 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 1i7t h ARG 170 Cb 0.30 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1i7t h ARG 170 CO -0.40 -0.32 0.54 1.88 -1.51 0.00 0.00 179.97 180.15 1i7t h TYR 171 N -0.50 0.99 -0.72 2.20 0.05 0.19 0.84 116.97 120.01 1i7t h TYR 171 Ca 0.04 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.93 1i7t h TYR 171 Cb 0.55 -0.32 -0.07 0.00 1.01 0.00 0.00 36.73 37.91 1i7t h TYR 171 CO -0.29 0.47 0.38 -0.07 -1.05 0.00 0.00 178.16 177.60 1i7t h LEU 172 N 0.95 0.53 0.52 3.88 3.38 0.17 0.32 115.31 125.05 1i7t h LEU 172 Ca 0.40 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1i7t h LEU 172 Cb 0.24 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1i7t h LEU 172 CO -0.20 0.31 -0.25 -0.33 0.09 0.00 0.00 178.44 178.06 1i7t h GLU 173 N 0.66 -0.68 0.00 1.13 4.39 0.50 -2.50 114.58 118.08 1i7t h GLU 173 Ca 0.35 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1i7t h GLU 173 Cb 0.32 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1i7t h GLU 173 CO -0.24 -0.45 0.25 -0.91 -1.16 0.00 0.00 179.01 176.50 1i7t h ASN 174 N -1.09 0.00 0.00 1.42 -0.26 -0.76 -0.30 115.58 114.58 1i7t h ASN 174 Ca -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 1i7t h ASN 174 Cb 0.54 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 1i7t h ASN 174 CO 0.12 0.00 -0.27 0.61 -1.06 0.00 0.00 177.43 176.83 1i7t n GLY 175 N -1.26 4.76 0.34 2.83 0.00 0.09 -4.85 105.19 107.10 1i7t n GLY 175 Ca -0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 1i7t n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i7t n LYS 176 N -1.20 -0.26 -0.18 1.61 4.81 -0.13 -0.26 118.16 122.55 1i7t n LYS 176 Ca 0.17 1.33 0.20 0.00 -0.87 0.00 0.00 58.31 59.14 1i7t n LYS 176 Cb 0.68 -1.97 0.57 0.00 0.02 0.00 0.00 35.03 34.33 1i7t n LYS 176 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1i7t h GLU 177 N 0.00 0.28 0.00 1.64 9.09 -1.89 -1.82 114.58 121.87 1i7t h GLU 177 Ca 0.26 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.65 1i7t h GLU 177 Cb 0.47 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1i7t h GLU 177 CO -0.85 0.18 0.00 2.41 0.05 0.00 0.00 179.01 180.80 1i7t n THR 178 N -4.44 0.00 -0.32 -1.06 -1.04 0.63 -4.25 114.28 103.80 1i7t n THR 178 Ca 0.17 0.12 0.21 0.00 -2.04 0.00 0.00 64.05 62.51 1i7t n THR 178 Cb 0.70 -1.11 0.43 0.00 -1.82 0.00 0.00 70.33 68.53 1i7t n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1i7t h LEU 179 N 0.00 0.29 -3.03 -4.42 3.38 -1.09 0.32 115.31 110.75 1i7t h LEU 179 Ca 0.00 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1i7t h LEU 179 Cb 0.00 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1i7t h LEU 179 CO 0.00 -0.19 0.06 0.00 0.09 0.00 0.00 178.44 178.40 1i7t n GLN 180 N -5.15 3.77 -2.83 1.13 6.02 -0.69 -4.93 117.38 114.70 1i7t n GLN 180 Ca 0.29 -2.41 -0.21 0.00 -0.01 0.00 0.00 57.00 54.67 1i7t n GLN 180 Cb 0.93 -2.07 0.06 0.00 1.02 0.00 0.00 30.24 30.18 1i7t n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1i7t s ARG 181 N -2.37 2.24 -0.22 -1.09 1.70 0.11 -4.92 118.95 114.39 1i7t s ARG 181 Ca 0.42 -1.27 -0.08 0.00 -0.47 0.00 0.00 55.73 54.33 1i7t s ARG 181 Cb 0.33 -2.54 0.10 0.00 -0.57 0.00 0.00 34.95 32.26 1i7t s ARG 181 CO 0.12 -0.92 0.48 0.99 -1.08 0.00 0.00 175.30 174.89 1i7t s THR 182 N -2.77 -0.70 -0.39 4.99 2.01 -1.26 -4.78 115.64 112.74 1i7t s THR 182 Ca 0.61 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.70 1i7t s THR 182 Cb -0.07 -0.75 0.09 0.00 0.01 0.00 0.00 72.50 71.79 1i7t s THR 182 CO 0.39 0.05 0.17 -1.81 -0.69 0.00 0.00 174.62 172.74 1i7t s ASP 183 N 2.61 5.24 0.48 3.53 1.01 -0.71 -4.95 116.67 123.88 1i7t s ASP 183 Ca -0.03 -1.81 -0.24 0.00 0.71 0.00 0.00 52.55 51.18 1i7t s ASP 183 Cb -0.12 -1.83 -0.08 0.00 1.01 0.00 0.00 42.92 41.91 1i7t s ASP 183 CO -0.14 -0.49 1.28 0.00 0.21 0.00 0.00 175.17 176.02 1i7t n ALA 184 N 4.65 1.32 -1.47 5.23 0.00 -1.25 -2.12 120.51 126.87 1i7t n ALA 184 Ca -0.05 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1i7t n ALA 184 Cb 0.42 -2.29 0.07 0.00 0.00 0.00 0.00 19.45 17.65 1i7t n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i7t s PRO 185 N -2.47 2.50 -0.52 0.00 0.04 -1.26 -4.66 135.00 128.63 1i7t s PRO 185 Ca 0.65 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 1i7t s PRO 185 Cb -0.47 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.30 1i7t s PRO 185 CO 0.54 -1.53 0.47 0.15 0.04 0.00 0.00 177.00 176.68 1i7t s LYS 186 N -3.88 2.97 -0.13 4.56 3.01 0.10 -4.83 119.74 121.55 1i7t s LYS 186 Ca 0.72 -1.64 -0.12 0.00 -1.01 0.00 0.00 55.97 53.92 1i7t s LYS 186 Cb -0.26 -4.25 -0.05 0.00 -1.01 0.00 0.00 37.83 32.26 1i7t s LYS 186 CO 0.42 -1.26 0.27 0.95 0.51 0.00 0.00 175.35 176.24 1i7t s THR 187 N 1.60 5.30 0.18 2.17 -4.23 -1.25 -1.82 115.64 117.59 1i7t s THR 187 Ca 0.03 0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 60.99 1i7t s THR 187 Cb -0.29 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 1i7t s THR 187 CO 0.04 0.47 0.25 -1.38 -0.54 0.00 0.00 174.62 173.45 1i7t s HIS 188 N -0.07 0.65 -0.04 3.99 -3.43 -0.94 -4.96 115.29 110.50 1i7t s HIS 188 Ca 0.17 -0.98 0.04 0.00 -0.80 0.00 0.00 55.06 53.49 1i7t s HIS 188 Cb -0.13 -0.20 -0.00 0.00 -1.43 0.00 0.00 32.58 30.81 1i7t s HIS 188 CO 0.05 -0.72 -0.17 1.41 -2.00 0.00 0.00 174.74 173.31 1i7t s MET 189 N -4.04 1.66 0.04 -0.38 1.75 -1.26 -0.24 119.30 116.84 1i7t s MET 189 Ca 0.25 -0.59 0.08 0.00 -1.25 0.00 0.00 55.69 54.17 1i7t s MET 189 Cb 0.04 -1.48 -0.03 0.00 2.84 0.00 0.00 34.83 36.20 1i7t s MET 189 CO 0.05 0.26 -0.20 0.95 -0.65 0.00 0.00 175.02 175.43 1i7t s THR 190 N -0.04 2.64 -0.21 10.11 -4.23 -0.21 -4.98 115.64 118.72 1i7t s THR 190 Ca -0.02 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1i7t s THR 190 Cb -0.10 -2.09 0.06 0.00 1.34 0.00 0.00 72.50 71.71 1i7t s THR 190 CO 0.02 0.34 0.03 -2.28 -0.54 0.00 0.00 174.62 172.18 1i7t s HIS 191 N -0.90 1.28 -0.10 3.99 2.46 -1.26 -1.23 115.29 119.52 1i7t s HIS 191 Ca 0.14 -1.06 0.01 0.00 0.47 0.00 0.00 55.06 54.62 1i7t s HIS 191 Cb -0.10 -1.16 0.02 0.00 -0.13 0.00 0.00 32.58 31.20 1i7t s HIS 191 CO 0.05 -0.66 -0.13 -3.38 -2.47 0.00 0.00 174.74 168.15 1i7t s HIS 192 N 1.77 1.76 0.13 3.88 -3.43 -1.02 -4.96 115.29 113.42 1i7t s HIS 192 Ca -0.01 -0.81 -0.31 0.00 -0.80 0.00 0.00 55.06 53.13 1i7t s HIS 192 Cb -0.17 -1.31 -0.09 0.00 -1.43 0.00 0.00 32.58 29.58 1i7t s HIS 192 CO -0.09 -0.45 1.47 0.00 -2.00 0.00 0.00 174.74 173.67 1i7t s ALA 193 N 1.08 3.67 -0.02 -1.38 0.00 -1.26 -0.42 121.76 123.43 1i7t s ALA 193 Ca -0.06 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 1i7t s ALA 193 Cb -0.15 -3.57 -0.28 0.00 0.00 0.00 0.00 23.12 19.12 1i7t s ALA 193 CO -0.02 -0.69 0.79 -0.24 0.00 0.00 0.00 175.76 175.59 1i7t h VAL 194 N 4.16 1.07 -3.28 0.00 3.04 -1.57 -3.47 116.25 116.21 1i7t h VAL 194 Ca -0.42 -2.70 -0.15 0.00 -1.01 0.00 0.00 66.70 62.41 1i7t h VAL 194 Cb 1.21 2.74 -0.03 0.00 -2.01 0.00 0.00 31.29 33.20 1i7t h VAL 194 CO 0.89 0.82 -0.01 -1.54 -1.01 0.00 0.00 177.57 176.72 1i7t n SER 195 N -3.48 -1.25 0.00 3.17 3.41 -1.11 -4.99 113.62 109.37 1i7t n SER 195 Ca -0.19 -2.36 0.02 0.00 -0.26 0.00 0.00 58.87 56.08 1i7t n SER 195 Cb 1.05 2.23 0.13 0.00 -0.26 0.00 0.00 64.21 67.37 1i7t n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1i7t n ASP 196 N -1.63 0.00 -0.07 4.04 5.75 -1.26 -2.96 116.55 120.41 1i7t n ASP 196 Ca -0.02 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 1i7t n ASP 196 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1i7t n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i7t n HIS 197 N -0.60 0.00 -3.68 2.11 1.44 -1.26 -5.01 115.22 108.22 1i7t n HIS 197 Ca 0.03 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.63 1i7t n HIS 197 Cb 0.02 0.03 -0.06 0.00 0.12 0.00 0.00 29.99 30.09 1i7t n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1i7t s GLU 198 N 0.00 0.94 -0.02 -1.40 2.02 -1.15 -2.46 118.70 116.63 1i7t s GLU 198 Ca 0.00 -0.53 -0.09 0.00 0.02 0.00 0.00 54.97 54.37 1i7t s GLU 198 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 34.13 34.65 1i7t s GLU 198 CO 0.00 -0.33 0.19 0.00 0.02 0.00 0.00 175.26 175.14 1i7t s ALA 199 N -2.97 -0.47 -0.12 5.21 0.00 0.23 -1.43 121.76 122.21 1i7t s ALA 199 Ca -0.02 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1i7t s ALA 199 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1i7t s ALA 199 CO -0.06 -0.20 0.30 0.99 0.00 0.00 0.00 175.76 176.79 1i7t s THR 200 N -1.09 5.27 -0.29 0.00 2.01 0.43 0.12 115.64 122.10 1i7t s THR 200 Ca -0.12 0.56 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 1i7t s THR 200 Cb -0.06 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1i7t s THR 200 CO 0.02 0.47 0.03 -0.22 -0.69 0.00 0.00 174.62 174.23 1i7t s LEU 201 N -0.15 3.70 -0.19 4.42 2.96 -0.19 -2.44 118.68 126.79 1i7t s LEU 201 Ca 0.18 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 53.17 1i7t s LEU 201 Cb -0.14 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1i7t s LEU 201 CO 0.06 -0.20 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.28 1i7t s ARG 202 N 1.40 3.60 -0.22 1.98 6.06 -0.37 -1.80 118.95 129.60 1i7t s ARG 202 Ca 0.00 -0.54 -0.06 0.00 -2.50 0.00 0.00 55.73 52.63 1i7t s ARG 202 Cb -0.18 -3.01 -0.03 0.00 0.06 0.00 0.00 34.95 31.80 1i7t s ARG 202 CO -0.00 0.06 0.04 0.00 -2.50 0.00 0.00 175.30 172.90 1i7t s TRP 204 N 1.22 3.18 -0.31 0.00 0.52 0.67 -2.33 118.94 121.89 1i7t s TRP 204 Ca 0.04 0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.34 1i7t s TRP 204 Cb -0.14 -1.76 0.10 0.00 -1.15 0.00 0.00 33.47 30.52 1i7t s TRP 204 CO 0.02 0.49 0.09 0.00 0.02 0.00 0.00 176.95 177.58 1i7t s ALA 205 N -0.98 1.62 0.29 0.98 0.00 -0.12 -2.20 121.76 121.34 1i7t s ALA 205 Ca 0.16 -1.71 0.10 0.00 0.00 0.00 0.00 51.96 50.51 1i7t s ALA 205 Cb -0.11 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 1i7t s ALA 205 CO 0.06 -1.65 -0.01 -0.51 0.00 0.00 0.00 175.76 173.65 1i7t s LEU 206 N 1.57 3.07 -1.32 0.00 1.43 -0.76 -1.07 118.68 121.60 1i7t s LEU 206 Ca 0.10 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 1i7t s LEU 206 Cb -0.17 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1i7t s LEU 206 CO -0.24 -0.09 0.50 -0.24 0.23 0.00 0.00 176.35 176.52 1i7t n SER 207 N -0.90 -2.28 -4.51 2.29 2.88 -1.07 0.03 113.62 110.06 1i7t n SER 207 Ca -0.05 -1.14 -0.25 0.00 -1.33 0.00 0.00 58.87 56.09 1i7t n SER 207 Cb 0.60 -2.49 -0.10 0.00 -0.75 0.00 0.00 64.21 61.47 1i7t n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i7t s PHE 208 N -3.81 2.44 -0.20 0.66 -0.12 -0.68 -4.62 117.98 111.65 1i7t s PHE 208 Ca 0.25 -0.29 -0.16 0.00 -0.05 0.00 0.00 56.93 56.67 1i7t s PHE 208 Cb -0.11 -1.14 0.06 0.00 -0.63 0.00 0.00 43.02 41.20 1i7t s PHE 208 CO 0.93 0.59 0.52 -0.47 -0.05 0.00 0.00 175.22 176.74 1i7t s TYR 209 N -2.05 -0.64 0.67 3.49 5.04 -0.90 -0.58 117.35 122.38 1i7t s TYR 209 Ca 0.26 1.48 -0.11 0.00 -2.44 0.00 0.00 57.07 56.26 1i7t s TYR 209 Cb -0.07 0.27 0.16 0.00 0.35 0.00 0.00 41.96 42.67 1i7t s TYR 209 CO 0.14 -0.32 0.75 -0.35 -1.34 0.00 0.00 175.55 174.43 1i7t n PRO 210 N 3.30 -1.52 0.25 4.97 -0.04 -1.26 -1.74 135.00 138.96 1i7t n PRO 210 Ca -0.16 -1.17 0.11 0.00 -0.04 0.00 0.00 63.50 62.24 1i7t n PRO 210 Cb 0.56 -0.92 0.64 0.00 -0.04 0.00 0.00 33.50 33.74 1i7t n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i7t h ALA 211 N -2.15 1.22 -2.05 0.55 0.00 -1.95 -3.45 119.26 111.44 1i7t h ALA 211 Ca -0.26 -0.15 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 1i7t h ALA 211 Cb 0.75 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.55 1i7t h ALA 211 CO 0.18 0.20 0.85 0.39 0.00 0.00 0.00 179.25 180.87 1i7t n GLU 212 N -3.61 1.93 -3.47 0.00 -0.58 -1.26 -4.94 120.64 108.70 1i7t n GLU 212 Ca -0.01 0.70 -0.11 0.00 -0.42 0.00 0.00 57.16 57.31 1i7t n GLU 212 Cb 0.30 -2.47 -0.03 0.00 -0.57 0.00 0.00 31.44 28.67 1i7t n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1i7t s ILE 213 N 2.06 0.00 -0.17 -3.67 2.07 -1.26 -4.61 121.20 115.62 1i7t s ILE 213 Ca 0.86 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 60.07 1i7t s ILE 213 Cb -0.76 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 40.89 1i7t s ILE 213 CO 0.46 0.00 0.04 -0.89 -1.91 0.00 0.00 174.94 172.63 1i7t s THR 214 N -3.01 0.44 -0.25 4.00 2.01 -0.58 -4.98 115.64 113.28 1i7t s THR 214 Ca 0.01 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1i7t s THR 214 Cb -0.01 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.61 1i7t s THR 214 CO -0.08 -0.15 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.44 1i7t s LEU 215 N 1.90 3.19 0.05 4.42 2.96 -1.26 -0.55 118.68 129.40 1i7t s LEU 215 Ca 0.00 -0.80 0.05 0.00 -0.22 0.00 0.00 54.13 53.16 1i7t s LEU 215 Cb -0.16 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1i7t s LEU 215 CO -0.08 -0.12 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.81 1i7t s THR 216 N 1.36 1.04 -0.02 3.68 2.01 0.12 -4.93 115.64 118.89 1i7t s THR 216 Ca 0.01 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1i7t s THR 216 Cb -0.16 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 1i7t s THR 216 CO -0.04 -0.12 -0.07 0.26 -0.69 0.00 0.00 174.62 173.97 1i7t s TRP 217 N -1.04 2.90 -0.01 4.92 0.52 -1.26 0.15 118.94 125.12 1i7t s TRP 217 Ca -0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 56.10 56.09 1i7t s TRP 217 Cb -0.09 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1i7t s TRP 217 CO 0.02 0.36 0.01 -0.65 0.02 0.00 0.00 176.95 176.70 1i7t s GLN 218 N -1.20 -0.01 -0.20 4.98 -0.21 0.46 -1.12 119.66 122.36 1i7t s GLN 218 Ca 0.15 0.05 -0.04 0.00 0.02 0.00 0.00 55.36 55.55 1i7t s GLN 218 Cb -0.11 -0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.83 1i7t s GLN 218 CO 0.05 -0.04 -0.04 0.50 -2.12 0.00 0.00 175.29 173.64 1i7t s ARG 219 N 0.25 3.44 -1.24 2.91 3.52 0.53 0.05 118.95 128.42 1i7t s ARG 219 Ca -0.02 -0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 54.88 1i7t s ARG 219 Cb -0.03 -2.98 0.08 0.00 -1.56 0.00 0.00 34.95 30.46 1i7t s ARG 219 CO -0.01 -0.09 0.45 -0.25 -0.81 0.00 0.00 175.30 174.60 1i7t n ASP 220 N 4.48 -3.37 0.00 -2.12 8.00 -0.01 -0.53 116.55 122.99 1i7t n ASP 220 Ca -0.18 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 54.94 1i7t n ASP 220 Cb 0.51 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 1i7t n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7t n GLY 221 N -1.11 3.14 3.77 0.44 0.00 -1.26 -5.04 105.19 105.13 1i7t n GLY 221 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1i7t n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7t s GLU 222 N -0.62 4.37 0.22 1.61 2.02 0.31 -5.00 118.70 121.60 1i7t s GLU 222 Ca 0.00 0.86 -0.31 0.00 0.02 0.00 0.00 54.97 55.54 1i7t s GLU 222 Cb 0.00 -3.32 -0.11 0.00 0.10 0.00 0.00 34.13 30.81 1i7t s GLU 222 CO 0.00 0.42 1.56 -0.51 0.02 0.00 0.00 175.26 176.75 1i7t s ASP 223 N -0.44 6.53 -0.23 -0.19 1.11 -1.26 -0.35 116.67 121.84 1i7t s ASP 223 Ca 0.33 2.73 0.10 0.00 0.18 0.00 0.00 52.55 55.88 1i7t s ASP 223 Cb -0.20 -2.61 0.65 0.00 1.07 0.00 0.00 42.92 41.83 1i7t s ASP 223 CO 0.20 -0.83 1.56 1.67 1.18 0.00 0.00 175.17 178.95 1i7t n GLN 224 N 3.21 3.76 0.00 8.23 -0.06 -0.28 -4.81 117.38 127.44 1i7t n GLN 224 Ca 0.11 -2.54 0.00 0.00 -2.00 0.00 0.00 57.00 52.57 1i7t n GLN 224 Cb 0.38 -2.10 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 1i7t n GLN 224 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1i7t n THR 225 N 0.25 0.00 0.00 1.69 -2.24 -1.26 0.18 114.28 112.90 1i7t n THR 225 Ca 0.28 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1i7t n THR 225 Cb 1.11 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1i7t n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i7t n GLN 226 N -0.97 0.00 -0.20 -0.78 6.02 -1.26 -1.41 117.38 118.79 1i7t n GLN 226 Ca 0.00 0.10 0.09 0.00 -0.01 0.00 0.00 57.00 57.18 1i7t n GLN 226 Cb 0.00 -1.51 0.14 0.00 1.02 0.00 0.00 30.24 29.90 1i7t n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i7t n ASP 227 N -1.08 2.11 -4.47 1.08 8.00 0.13 -5.02 116.55 117.29 1i7t n ASP 227 Ca 0.00 -3.16 -0.33 0.00 0.71 0.00 0.00 54.79 52.00 1i7t n ASP 227 Cb 0.01 -0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 40.54 1i7t n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7t s THR 228 N -2.77 3.23 -0.34 -3.53 2.01 -0.50 -4.50 115.64 109.25 1i7t s THR 228 Ca 0.31 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 1i7t s THR 228 Cb 0.28 -2.31 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 1i7t s THR 228 CO 0.01 0.57 0.61 -0.70 -0.69 0.00 0.00 174.62 174.42 1i7t s GLU 229 N -0.43 3.73 -0.27 4.92 2.56 0.17 -4.91 118.70 124.47 1i7t s GLU 229 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.11 1i7t s GLU 229 Cb -0.12 -3.79 0.08 0.00 2.00 0.00 0.00 34.13 32.30 1i7t s GLU 229 CO 0.02 -0.68 0.02 -1.17 -0.56 0.00 0.00 175.26 172.90 1i7t s LEU 230 N 2.63 2.67 0.80 2.70 2.96 -1.26 0.20 118.68 129.38 1i7t s LEU 230 Ca 0.24 -1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 52.59 1i7t s LEU 230 Cb -0.15 -1.09 0.07 0.00 0.50 0.00 0.00 46.19 45.53 1i7t s LEU 230 CO 0.14 -0.32 1.09 0.68 -1.32 0.00 0.00 176.35 176.62 1i7t s VAL 231 N 1.44 3.11 0.21 1.68 -7.23 -1.00 -5.00 120.40 113.60 1i7t s VAL 231 Ca 0.02 0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 1i7t s VAL 231 Cb -0.18 -3.08 -0.08 0.00 0.56 0.00 0.00 36.38 33.59 1i7t s VAL 231 CO -0.13 -0.47 1.17 -1.61 -0.31 0.00 0.00 175.10 173.75 1i7t s GLU 232 N -5.13 4.53 -0.13 4.82 2.02 -1.26 -4.65 118.70 118.90 1i7t s GLU 232 Ca 0.61 1.85 -0.36 0.00 0.02 0.00 0.00 54.97 57.09 1i7t s GLU 232 Cb -0.15 -3.23 -0.13 0.00 0.10 0.00 0.00 34.13 30.72 1i7t s GLU 232 CO 0.54 -0.01 1.79 2.41 0.02 0.00 0.00 175.26 180.02 1i7t n THR 233 N 2.13 0.42 -4.34 3.63 -1.04 -1.26 -4.85 114.28 108.97 1i7t n THR 233 Ca 0.03 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.73 1i7t n THR 233 Cb 0.45 -1.58 -0.08 0.00 -1.82 0.00 0.00 70.33 67.30 1i7t n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i7t s ARG 234 N 3.53 2.13 0.03 -2.82 1.04 -0.08 -4.93 118.95 117.86 1i7t s ARG 234 Ca 0.93 -1.52 -0.26 0.00 -1.04 0.00 0.00 55.73 53.85 1i7t s ARG 234 Cb -0.83 -2.05 -0.05 0.00 -2.04 0.00 0.00 34.95 29.97 1i7t s ARG 234 CO 0.55 0.34 0.79 -1.25 -0.04 0.00 0.00 175.30 175.70 1i7t s PRO 235 N -3.64 4.51 0.36 3.89 0.04 -1.26 0.47 135.00 139.36 1i7t s PRO 235 Ca 0.31 1.10 0.17 0.00 0.04 0.00 0.00 61.00 62.62 1i7t s PRO 235 Cb -0.06 -3.39 0.65 0.00 0.04 0.00 0.00 34.50 31.74 1i7t s PRO 235 CO 0.19 0.21 1.73 0.00 0.04 0.00 0.00 177.00 179.17 1i7t h ALA 236 N 5.92 1.04 0.00 8.56 0.00 -0.84 -3.46 119.26 130.48 1i7t h ALA 236 Ca -0.43 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1i7t h ALA 236 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1i7t h ALA 236 CO 0.72 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.90 1i7t n GLY 237 N 0.12 0.18 0.95 0.00 0.00 -1.26 -4.90 105.19 100.28 1i7t n GLY 237 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1i7t n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i7t n ASP 238 N 0.00 3.55 0.00 1.61 5.68 -1.26 -4.93 116.55 121.20 1i7t n ASP 238 Ca 0.00 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.06 1i7t n ASP 238 Cb 0.00 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1i7t n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7t n GLY 239 N 0.64 1.15 3.76 6.12 0.00 -1.26 -5.07 105.19 110.53 1i7t n GLY 239 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1i7t n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7t s THR 240 N -2.25 2.97 0.28 2.61 -4.23 -1.26 -4.91 115.64 108.85 1i7t s THR 240 Ca 0.00 -1.62 0.11 0.00 -1.18 0.00 0.00 61.69 59.00 1i7t s THR 240 Cb 0.00 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.78 1i7t s THR 240 CO 0.00 -0.14 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.46 1i7t s PHE 241 N -2.43 2.45 0.27 3.99 0.08 0.26 -0.12 117.98 122.47 1i7t s PHE 241 Ca 0.39 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 57.19 1i7t s PHE 241 Cb -0.02 -1.10 -0.06 0.00 -0.57 0.00 0.00 43.02 41.27 1i7t s PHE 241 CO 0.24 0.67 -0.01 -0.65 -0.10 0.00 0.00 175.22 175.37 1i7t s GLN 242 N -3.58 1.49 -0.23 0.44 -0.21 0.17 -1.69 119.66 116.06 1i7t s GLN 242 Ca 0.31 -1.78 -0.30 0.00 0.02 0.00 0.00 55.36 53.61 1i7t s GLN 242 Cb -0.05 -0.87 0.16 0.00 1.00 0.00 0.00 33.01 33.25 1i7t s GLN 242 CO 0.17 -0.07 1.21 0.21 -2.12 0.00 0.00 175.29 174.69 1i7t s LYS 243 N -3.82 0.28 0.07 2.91 2.20 -0.23 -0.90 119.74 120.24 1i7t s LYS 243 Ca 0.31 0.06 -0.16 0.00 -0.36 0.00 0.00 55.97 55.82 1i7t s LYS 243 Cb 0.06 0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1i7t s LYS 243 CO 0.12 -0.09 0.37 1.67 -0.36 0.00 0.00 175.35 177.05 1i7t s TRP 244 N -1.14 -0.18 -0.01 4.03 1.48 -1.26 -0.95 118.94 120.91 1i7t s TRP 244 Ca 0.05 0.02 0.01 0.00 -1.06 0.00 0.00 56.10 55.12 1i7t s TRP 244 Cb -0.01 0.18 0.01 0.00 -1.16 0.00 0.00 33.47 32.49 1i7t s TRP 244 CO -0.04 -0.58 -0.02 0.00 -4.06 0.00 0.00 176.95 172.25 1i7t s ALA 245 N -2.92 0.23 0.07 2.67 0.00 -0.99 -2.37 121.76 118.47 1i7t s ALA 245 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1i7t s ALA 245 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1i7t s ALA 245 CO -0.06 0.02 -0.07 0.00 0.00 0.00 0.00 175.76 175.66 1i7t s ALA 246 N 0.22 0.81 0.02 0.00 0.00 0.13 -1.16 121.76 121.78 1i7t s ALA 246 Ca -0.02 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1i7t s ALA 246 Cb -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1i7t s ALA 246 CO -0.01 -0.16 -0.05 0.14 0.00 0.00 0.00 175.76 175.69 1i7t s VAL 247 N -2.78 0.32 -0.08 0.00 -7.23 -0.74 0.45 120.40 110.34 1i7t s VAL 247 Ca 0.03 -0.76 -0.21 0.00 -1.81 0.00 0.00 61.98 59.23 1i7t s VAL 247 Cb -0.00 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1i7t s VAL 247 CO -0.03 -0.29 0.62 -0.69 -0.31 0.00 0.00 175.10 174.40 1i7t s VAL 248 N -1.03 5.08 0.00 1.32 1.01 -1.26 -1.02 120.40 124.50 1i7t s VAL 248 Ca -0.09 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.23 1i7t s VAL 248 Cb -0.07 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1i7t s VAL 248 CO -0.00 0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.46 1i7t s VAL 249 N 0.65 1.92 -0.21 2.92 1.01 0.12 -4.96 120.40 121.84 1i7t s VAL 249 Ca 0.33 -1.13 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1i7t s VAL 249 Cb -0.17 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1i7t s VAL 249 CO 0.15 0.45 1.67 -2.84 0.00 0.00 0.00 175.10 174.53 1i7t s PRO 250 N -0.80 3.77 -0.16 2.72 0.02 -1.26 -0.60 135.00 138.70 1i7t s PRO 250 Ca 0.10 1.72 -0.42 0.00 0.02 0.00 0.00 61.00 62.42 1i7t s PRO 250 Cb -0.09 -4.06 -0.20 0.00 0.02 0.00 0.00 34.50 30.17 1i7t s PRO 250 CO 0.00 -1.33 1.25 0.43 -0.33 0.00 0.00 177.00 177.02 1i7t n SER 251 N 8.59 0.44 0.00 2.53 7.64 -1.03 -0.95 113.62 130.84 1i7t n SER 251 Ca 0.19 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1i7t n SER 251 Cb 0.45 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1i7t n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7t n GLY 252 N 2.33 0.62 0.47 0.23 0.00 -1.26 -4.93 105.19 102.65 1i7t n GLY 252 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.31 1i7t n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7t n GLN 253 N -1.47 0.77 -0.40 1.61 6.02 -0.12 -4.70 117.38 119.08 1i7t n GLN 253 Ca 0.00 -1.25 0.35 0.00 -0.01 0.00 0.00 57.00 56.09 1i7t n GLN 253 Cb 0.00 -1.22 0.60 0.00 1.02 0.00 0.00 30.24 30.64 1i7t n GLN 253 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1i7t n GLU 254 N 0.62 -0.04 0.24 -1.09 4.71 -1.26 0.19 120.64 124.01 1i7t n GLU 254 Ca 0.07 1.17 0.16 0.00 -0.01 0.00 0.00 57.16 58.55 1i7t n GLU 254 Cb 0.29 -2.26 0.64 0.00 -1.01 0.00 0.00 31.44 29.10 1i7t n GLU 254 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1i7t h GLN 255 N 0.00 0.00 0.00 3.49 3.07 -1.84 -2.81 115.11 117.02 1i7t h GLN 255 Ca 0.80 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 59.42 1i7t h GLN 255 Cb 2.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 30.03 1i7t h GLN 255 CO -0.48 0.00 -0.56 0.00 0.09 0.00 0.00 178.83 177.88 1i7t h ARG 256 N 0.00 0.00 -6.43 0.06 3.08 0.17 -3.45 114.38 107.81 1i7t h ARG 256 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1i7t h ARG 256 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1i7t h ARG 256 CO 0.00 0.56 -0.02 0.71 -1.07 0.00 0.00 179.97 180.15 1i7t s TYR 257 N -3.59 3.58 0.00 3.04 1.51 -1.06 -0.83 117.35 120.01 1i7t s TYR 257 Ca -0.01 1.15 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 1i7t s TYR 257 Cb 0.12 -2.44 -0.00 0.00 -0.11 0.00 0.00 41.96 39.52 1i7t s TYR 257 CO 0.74 0.36 -0.02 0.95 -1.11 0.00 0.00 175.55 176.48 1i7t s THR 258 N -1.55 0.13 -0.11 -0.71 -4.23 0.11 -4.32 115.64 104.97 1i7t s THR 258 Ca 0.41 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.67 1i7t s THR 258 Cb -0.15 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.51 1i7t s THR 258 CO 0.20 -0.04 0.11 0.00 -0.54 0.00 0.00 174.62 174.35 1i7t s HIS 260 N -1.02 2.24 -0.09 0.00 3.76 0.39 -1.47 115.29 119.10 1i7t s HIS 260 Ca 0.15 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.08 1i7t s HIS 260 Cb -0.12 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 1i7t s HIS 260 CO 0.05 -0.46 -0.17 0.08 -0.85 0.00 0.00 174.74 173.38 1i7t s VAL 261 N 0.70 2.74 -0.12 -0.90 1.01 -0.63 0.10 120.40 123.30 1i7t s VAL 261 Ca -0.12 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1i7t s VAL 261 Cb -0.16 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.17 1i7t s VAL 261 CO 0.02 0.56 -0.02 -1.10 0.00 0.00 0.00 175.10 174.56 1i7t s GLN 262 N -0.09 1.03 -0.08 2.72 -0.21 0.29 -1.57 119.66 121.75 1i7t s GLN 262 Ca -0.03 -0.20 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 1i7t s GLN 262 Cb -0.14 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 32.36 1i7t s GLN 262 CO 0.04 -0.37 0.21 -1.58 -2.12 0.00 0.00 175.29 171.47 1i7t s HIS 263 N 1.81 -0.23 -0.07 0.91 2.46 -1.26 -1.52 115.29 117.39 1i7t s HIS 263 Ca 0.03 0.57 0.13 0.00 0.47 0.00 0.00 55.06 56.26 1i7t s HIS 263 Cb -0.14 0.08 0.71 0.00 -0.13 0.00 0.00 32.58 33.11 1i7t s HIS 263 CO -0.07 -0.12 1.31 -1.91 -2.47 0.00 0.00 174.74 171.48 1i7t n GLU 264 N 2.95 0.09 -0.69 2.88 2.13 -1.26 -0.98 120.64 125.75 1i7t n GLU 264 Ca -0.13 0.56 0.08 0.00 0.66 0.00 0.00 57.16 58.33 1i7t n GLU 264 Cb 0.58 -2.04 0.34 0.00 0.27 0.00 0.00 31.44 30.60 1i7t n GLU 264 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i7t n GLY 265 N -1.28 3.44 3.19 8.31 0.00 -1.26 -4.90 105.19 112.69 1i7t n GLY 265 Ca -0.01 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1i7t n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i7t s LEU 266 N -2.76 2.42 0.33 0.99 1.43 -0.15 -3.87 118.68 117.07 1i7t s LEU 266 Ca 0.49 -0.56 0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1i7t s LEU 266 Cb 0.38 -1.58 0.99 0.00 0.03 0.00 0.00 46.19 46.02 1i7t s LEU 266 CO 0.13 -0.01 1.61 -0.65 0.23 0.00 0.00 176.35 177.67 1i7t h PRO 267 N 8.00 0.13 -3.68 1.29 0.11 -1.90 -3.41 132.00 132.54 1i7t h PRO 267 Ca -0.44 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 1i7t h PRO 267 Cb 1.15 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1i7t h PRO 267 CO 0.63 0.08 -0.34 -1.59 -0.21 0.00 0.00 178.00 176.57 1i7t s LYS 268 N -5.77 0.83 0.41 1.05 -2.85 -1.26 -5.15 119.74 107.01 1i7t s LYS 268 Ca -0.11 -0.83 -0.27 0.00 -1.00 0.00 0.00 55.97 53.76 1i7t s LYS 268 Cb 0.30 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 36.32 1i7t s LYS 268 CO 0.78 -0.27 1.40 -2.14 0.10 0.00 0.00 175.35 175.23 1i7t s PRO 269 N -3.50 3.94 0.25 1.78 0.02 -1.26 -4.97 135.00 131.25 1i7t s PRO 269 Ca 0.02 2.38 -0.15 0.00 0.02 0.00 0.00 61.00 63.27 1i7t s PRO 269 Cb 0.03 -2.81 -0.08 0.00 0.02 0.00 0.00 34.50 31.66 1i7t s PRO 269 CO -0.09 -0.60 0.66 -0.51 -0.33 0.00 0.00 177.00 176.13 1i7t s LEU 270 N -2.39 4.21 -0.22 -5.54 1.43 -0.61 -4.94 118.68 110.63 1i7t s LEU 270 Ca 0.56 1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 54.83 1i7t s LEU 270 Cb -0.43 -3.72 0.07 0.00 0.03 0.00 0.00 46.19 42.14 1i7t s LEU 270 CO 0.56 -0.06 0.09 -0.89 0.23 0.00 0.00 176.35 176.28 1i7t s THR 271 N -1.74 0.10 0.15 5.49 2.01 -1.26 -1.60 115.64 118.79 1i7t s THR 271 Ca 0.47 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1i7t s THR 271 Cb -0.13 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1i7t s THR 271 CO 0.19 -0.41 0.13 -0.76 -0.69 0.00 0.00 174.62 173.08 1i7t s LEU 272 N 2.04 3.81 -0.09 4.42 1.43 -0.54 -4.94 118.68 124.80 1i7t s LEU 272 Ca 0.04 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1i7t s LEU 272 Cb -0.16 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.67 1i7t s LEU 272 CO -0.17 0.09 0.20 -0.60 0.23 0.00 0.00 176.35 176.09 1i7t s ARG 273 N -2.98 0.15 0.11 1.70 3.52 -1.26 -0.90 118.95 119.29 1i7t s ARG 273 Ca 0.31 0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 56.06 1i7t s ARG 273 Cb -0.10 -0.15 -0.08 0.00 -1.56 0.00 0.00 34.95 33.05 1i7t s ARG 273 CO 0.23 -0.17 1.45 -0.46 -0.81 0.00 0.00 175.30 175.54 1i7t s TRP 274 N 1.25 3.11 0.00 5.12 -0.11 -1.26 -5.07 118.94 121.98 1i7t s TRP 274 Ca -0.09 0.82 0.00 0.00 1.22 0.00 0.00 56.10 58.05 1i7t s TRP 274 Cb -0.11 -3.76 0.00 0.00 -1.50 0.00 0.00 33.47 28.10 1i7t s TRP 274 CO -0.07 -2.74 0.00 -0.85 -4.62 0.00 0.00 176.95 168.67